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 1ogg_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRKAVIGYYF IPTNQINNYT ETDTSVVPFP VSNITPAKAK QLTHINFSFL DATA SEQUENCE DINSNLECAW DPATNDAKAR DVVNRLTALK AHNPSLRIMF SIGGWYYSND DATA SEQUENCE LGVSHANYVN AVKTPASRAK FAQSCVRIMK DYGFDGVDIN WEYPQAAEVD DATA SEQUENCE GFIAALQEIR TLLNQQTITD GRQALPYQLT IAGAGGAFFL SRYYSKLAQI DATA SEQUENCE VAPLDYINLM TYDLAGPWEK VTNHQAALFG DAAGPTFYNA LREANLGWSW DATA SEQUENCE EELTRAFPSP FSLTVDAAVQ QHLMMEGVPS AKIVMGVPFY GRAFKGVSGG DATA SEQUENCE NGGQYSSHST PGEDPYPSTD YWLVGCEECV RDKDPRIASY RQLEQMLQGN DATA SEQUENCE YGYQRLWNDK TKTPYLYHAQ NGLFVTYDDA ESFKYKAKYI KQQQLGGVMF DATA SEQUENCE WHLGQDNRNG DLLAALDRYF NAADYDDSQL DMGTGLRYTG VGPGNLPIMT DATA SEQUENCE APAYVPGTTY AQGALVSYQG YVWQTKWGYI TSAPGSDSAW LKVGRVA 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.706 174.700 0.011 0.000 1.109 3 T CA 0.000 62.114 62.100 0.023 0.000 1.349 3 T CB 0.000 68.884 68.868 0.026 0.000 0.612 4 R N 2.355 122.864 120.500 0.016 0.000 2.623 4 R HA 0.180 4.520 4.340 -0.000 0.000 0.271 4 R C -0.143 176.124 176.300 -0.055 0.000 1.043 4 R CA -0.206 55.892 56.100 -0.002 0.000 1.083 4 R CB 0.425 30.740 30.300 0.025 0.000 0.974 4 R HN 0.289 nan 8.270 nan 0.000 0.436 5 K N 2.500 122.790 120.400 -0.183 0.000 2.298 5 K HA 0.155 4.475 4.320 -0.000 0.000 0.280 5 K C -0.293 176.160 176.600 -0.244 0.000 1.032 5 K CA -0.094 55.973 56.287 -0.368 0.000 0.958 5 K CB 1.488 33.359 32.500 -1.048 0.000 0.978 5 K HN 0.706 nan 8.250 nan 0.000 0.472 6 A N 2.285 124.981 122.820 -0.206 0.000 2.462 6 A HA 0.279 4.599 4.320 -0.000 0.000 0.243 6 A C -0.186 177.330 177.584 -0.114 0.000 1.076 6 A CA -0.395 51.549 52.037 -0.155 0.000 0.773 6 A CB 0.362 19.091 19.000 -0.451 0.000 1.010 6 A HN 0.378 nan 8.150 nan 0.000 0.493 7 V N 4.629 124.555 119.914 0.021 0.000 2.340 7 V HA 0.235 4.355 4.120 -0.000 0.000 0.277 7 V C -0.457 175.655 176.094 0.029 0.000 1.017 7 V CA 0.035 62.403 62.300 0.113 0.000 0.820 7 V CB 0.654 32.618 31.823 0.235 0.000 1.028 7 V HN 0.706 nan 8.190 nan 0.000 0.436 8 I N 4.231 124.716 120.570 -0.141 0.000 2.307 8 I HA 0.466 4.636 4.170 -0.000 0.000 0.287 8 I C 0.986 176.706 176.117 -0.661 0.000 1.054 8 I CA -0.089 61.020 61.300 -0.317 0.000 1.218 8 I CB 1.296 39.058 38.000 -0.397 0.000 1.398 8 I HN 0.628 nan 8.210 nan 0.000 0.475 9 G N 5.924 114.274 108.800 -0.750 0.000 2.356 9 G HA2 0.384 4.344 3.960 -0.000 0.000 0.312 9 G HA3 0.384 4.344 3.960 -0.000 0.000 0.312 9 G C -0.776 173.741 174.900 -0.639 0.000 1.096 9 G CA -0.264 44.045 45.100 -1.319 0.000 0.950 9 G HN 0.347 nan 8.290 nan 0.000 0.428 10 Y N 1.202 121.177 120.300 -0.542 0.000 2.411 10 Y HA 0.259 4.809 4.550 -0.000 0.000 0.333 10 Y C -0.074 175.658 175.900 -0.281 0.000 1.186 10 Y CA 0.324 58.261 58.100 -0.273 0.000 1.381 10 Y CB 0.986 39.383 38.460 -0.105 0.000 1.273 10 Y HN 0.540 nan 8.280 nan 0.000 0.546 11 Y N 5.233 125.372 120.300 -0.268 0.000 2.363 11 Y HA 0.371 4.920 4.550 -0.000 0.000 0.325 11 Y C -1.810 173.810 175.900 -0.466 0.000 0.984 11 Y CA -1.816 56.137 58.100 -0.246 0.000 1.248 11 Y CB 0.354 38.779 38.460 -0.059 0.000 1.116 11 Y HN 0.500 nan 8.280 nan 0.000 0.470 12 F N 8.314 127.498 119.950 -1.278 0.000 2.415 12 F HA 0.637 5.164 4.527 -0.000 0.000 0.348 12 F C -1.490 173.712 175.800 -0.997 0.000 1.119 12 F CA -1.429 55.822 58.000 -1.248 0.000 1.069 12 F CB 0.914 39.002 39.000 -1.520 0.000 1.124 12 F HN 0.440 nan 8.300 nan 0.000 0.472 13 I N 9.597 129.391 120.570 -1.292 0.000 2.503 13 I HA 0.446 4.616 4.170 -0.000 0.000 0.282 13 I C -2.513 173.111 176.117 -0.823 0.000 1.059 13 I CA -2.609 58.184 61.300 -0.846 0.000 1.081 13 I CB 1.418 39.223 38.000 -0.325 0.000 1.210 13 I HN 0.356 nan 8.210 nan 0.000 0.450 14 P HA 0.153 nan 4.420 nan 0.000 0.272 14 P C 0.542 177.777 177.300 -0.107 0.000 1.223 14 P CA -0.045 62.763 63.100 -0.486 0.000 0.784 14 P CB 0.614 32.119 31.700 -0.326 0.000 0.923 15 T N 1.587 116.167 114.554 0.043 0.000 2.685 15 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 15 T C 1.611 176.364 174.700 0.090 0.000 1.034 15 T CA 2.518 64.696 62.100 0.129 0.000 1.149 15 T CB -1.081 67.896 68.868 0.182 0.000 0.860 15 T HN 0.701 nan 8.240 nan 0.000 0.449 16 N N 1.268 120.002 118.700 0.056 0.000 2.223 16 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 16 N C 1.812 177.357 175.510 0.058 0.000 1.016 16 N CA 1.248 54.329 53.050 0.051 0.000 0.863 16 N CB -0.439 38.068 38.487 0.034 0.000 0.983 16 N HN 0.445 nan 8.380 nan 0.000 0.429 17 Q N -0.225 119.605 119.800 0.049 0.000 2.172 17 Q HA 0.086 4.426 4.340 -0.000 0.000 0.200 17 Q C 1.983 178.095 176.000 0.187 0.000 0.964 17 Q CA 0.901 56.759 55.803 0.091 0.000 0.855 17 Q CB -0.009 28.763 28.738 0.056 0.000 0.918 17 Q HN 0.536 nan 8.270 nan 0.000 0.444 18 I N 1.133 121.802 120.570 0.165 0.000 2.202 18 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 18 I C 1.543 177.746 176.117 0.143 0.000 1.091 18 I CA 0.793 62.200 61.300 0.177 0.000 1.368 18 I CB -0.284 37.807 38.000 0.152 0.000 1.058 18 I HN 0.193 nan 8.210 nan 0.000 0.410 19 N N 1.190 119.952 118.700 0.103 0.000 2.364 19 N HA -0.129 4.611 4.740 -0.000 0.000 0.183 19 N C 0.702 176.263 175.510 0.084 0.000 1.022 19 N CA 1.017 54.112 53.050 0.075 0.000 0.883 19 N CB -0.360 38.163 38.487 0.061 0.000 0.965 19 N HN 0.416 nan 8.380 nan 0.000 0.438 20 N N -0.354 118.408 118.700 0.103 0.000 2.338 20 N HA -0.024 4.716 4.740 -0.000 0.000 0.251 20 N C -0.547 175.023 175.510 0.100 0.000 1.199 20 N CA -0.344 52.755 53.050 0.081 0.000 0.879 20 N CB 0.023 38.538 38.487 0.048 0.000 1.159 20 N HN 0.187 nan 8.380 nan 0.000 0.514 21 Y N 2.171 122.491 120.300 0.034 0.000 2.904 21 Y HA -0.007 4.543 4.550 -0.000 0.000 0.336 21 Y C 0.663 176.585 175.900 0.036 0.000 1.263 21 Y CA 0.894 59.022 58.100 0.047 0.000 1.547 21 Y CB 0.382 38.877 38.460 0.058 0.000 1.272 21 Y HN -0.066 nan 8.280 nan 0.000 0.596 22 T N 5.185 119.332 114.554 -0.678 0.000 2.957 22 T HA 0.289 4.639 4.350 -0.000 0.000 0.336 22 T C -0.419 173.927 174.700 -0.589 0.000 1.462 22 T CA -0.684 61.141 62.100 -0.460 0.000 1.073 22 T CB 1.040 69.790 68.868 -0.198 0.000 1.319 22 T HN 0.751 nan 8.240 nan 0.000 0.485 23 E N 1.605 121.588 120.200 -0.362 0.000 2.538 23 E HA 0.122 4.471 4.350 -0.000 0.000 0.207 23 E C 0.929 177.445 176.600 -0.141 0.000 1.002 23 E CA 0.209 56.462 56.400 -0.244 0.000 0.952 23 E CB 0.679 30.304 29.700 -0.126 0.000 1.031 23 E HN 0.740 nan 8.360 nan 0.000 0.476 24 T N -2.336 112.141 114.554 -0.127 0.000 3.040 24 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 24 T C 0.235 174.892 174.700 -0.072 0.000 1.005 24 T CA -0.344 61.707 62.100 -0.081 0.000 0.906 24 T CB 0.416 69.248 68.868 -0.059 0.000 1.082 24 T HN -0.180 nan 8.240 nan 0.000 0.531 25 D N 0.687 121.035 120.400 -0.086 0.000 2.346 25 D HA 0.305 4.945 4.640 -0.000 0.000 0.255 25 D C 0.827 177.094 176.300 -0.056 0.000 1.276 25 D CA -0.233 53.730 54.000 -0.062 0.000 0.941 25 D CB 1.580 42.348 40.800 -0.054 0.000 1.199 25 D HN -0.087 nan 8.370 nan 0.000 0.537 26 T N 0.375 114.903 114.554 -0.044 0.000 2.848 26 T HA -0.170 4.180 4.350 -0.000 0.000 0.269 26 T C 1.792 176.484 174.700 -0.014 0.000 1.081 26 T CA 2.026 64.111 62.100 -0.026 0.000 1.125 26 T CB 0.115 68.971 68.868 -0.020 0.000 0.848 26 T HN 0.466 nan 8.240 nan 0.000 0.503 27 S N -0.275 115.414 115.700 -0.018 0.000 2.522 27 S HA 0.056 4.526 4.470 -0.000 0.000 0.227 27 S C 1.811 176.404 174.600 -0.012 0.000 0.986 27 S CA 0.268 58.460 58.200 -0.013 0.000 0.929 27 S CB -0.032 63.160 63.200 -0.013 0.000 0.769 27 S HN 0.338 nan 8.310 nan 0.000 0.529 28 V N 0.316 120.218 119.914 -0.019 0.000 2.743 28 V HA 0.302 4.422 4.120 -0.000 0.000 0.237 28 V C 0.489 176.577 176.094 -0.010 0.000 1.113 28 V CA 0.359 62.648 62.300 -0.017 0.000 1.141 28 V CB 0.320 32.125 31.823 -0.030 0.000 0.873 28 V HN 0.390 nan 8.190 nan 0.000 0.486 29 V N 2.178 122.075 119.914 -0.028 0.000 2.305 29 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 29 V C -1.831 174.279 176.094 0.027 0.000 1.020 29 V CA -1.022 61.279 62.300 0.000 0.000 0.811 29 V CB 1.209 32.989 31.823 -0.072 0.000 1.031 29 V HN 0.329 nan 8.190 nan 0.000 0.439 30 P HA -0.100 nan 4.420 nan 0.000 0.218 30 P C 0.242 177.656 177.300 0.190 0.000 1.148 30 P CA 1.299 64.461 63.100 0.105 0.000 0.822 30 P CB 0.182 31.951 31.700 0.114 0.000 0.784 31 F N 0.514 120.513 119.950 0.082 0.000 2.769 31 F HA 0.383 4.910 4.527 -0.000 0.000 0.358 31 F C -2.540 173.419 175.800 0.265 0.000 1.285 31 F CA -2.728 55.367 58.000 0.157 0.000 1.199 31 F CB 1.073 40.186 39.000 0.189 0.000 1.558 31 F HN -0.184 nan 8.300 nan 0.000 0.583 32 P HA 0.079 nan 4.420 nan 0.000 0.274 32 P C 1.018 178.498 177.300 0.299 0.000 1.256 32 P CA -0.125 63.150 63.100 0.292 0.000 0.795 32 P CB 1.887 33.572 31.700 -0.024 0.000 1.038 33 V N 0.896 121.058 119.914 0.413 0.000 2.453 33 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 33 V C 2.652 178.799 176.094 0.088 0.000 1.068 33 V CA 2.753 65.164 62.300 0.185 0.000 1.070 33 V CB -1.868 30.039 31.823 0.141 0.000 0.664 33 V HN 0.735 nan 8.190 nan 0.000 0.461 34 S N 0.664 116.411 115.700 0.078 0.000 2.440 34 S HA -0.245 4.225 4.470 -0.000 0.000 0.238 34 S C 1.569 176.130 174.600 -0.065 0.000 1.010 34 S CA 1.799 60.004 58.200 0.009 0.000 0.972 34 S CB -0.839 62.360 63.200 -0.001 0.000 0.774 34 S HN 0.667 nan 8.310 nan 0.000 0.501 35 N N 1.244 119.846 118.700 -0.163 0.000 2.381 35 N HA 0.166 4.906 4.740 -0.000 0.000 0.182 35 N C 0.067 175.512 175.510 -0.107 0.000 1.025 35 N CA 0.693 53.558 53.050 -0.308 0.000 0.888 35 N CB -0.394 37.504 38.487 -0.983 0.000 0.965 35 N HN 0.522 nan 8.380 nan 0.000 0.438 36 I N 1.787 122.361 120.570 0.006 0.000 2.243 36 I HA 0.027 4.197 4.170 -0.000 0.000 0.297 36 I C 0.593 176.724 176.117 0.023 0.000 1.161 36 I CA -0.430 60.919 61.300 0.082 0.000 1.298 36 I CB -0.487 37.577 38.000 0.106 0.000 1.475 36 I HN 0.099 nan 8.210 nan 0.000 0.561 37 T N 2.465 117.017 114.554 -0.004 0.000 2.766 37 T HA 0.179 4.529 4.350 -0.000 0.000 0.295 37 T C -1.632 173.006 174.700 -0.104 0.000 1.024 37 T CA -1.372 60.691 62.100 -0.061 0.000 1.018 37 T CB 0.872 69.708 68.868 -0.053 0.000 1.002 37 T HN 0.177 nan 8.240 nan 0.000 0.532 38 P HA -0.058 nan 4.420 nan 0.000 0.216 38 P C 1.687 178.921 177.300 -0.109 0.000 1.150 38 P CA 1.614 64.496 63.100 -0.365 0.000 0.837 38 P CB -0.341 30.999 31.700 -0.601 0.000 0.786 39 A N -0.169 122.608 122.820 -0.072 0.000 1.933 39 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 39 A C 2.078 179.673 177.584 0.018 0.000 1.175 39 A CA 1.750 53.778 52.037 -0.016 0.000 0.628 39 A CB -0.983 18.009 19.000 -0.014 0.000 0.814 39 A HN 0.162 nan 8.150 nan 0.000 0.444 40 K N -0.414 120.003 120.400 0.028 0.000 2.103 40 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 40 K C 2.236 178.892 176.600 0.093 0.000 1.052 40 K CA 0.895 57.227 56.287 0.075 0.000 0.945 40 K CB -0.261 32.301 32.500 0.104 0.000 0.722 40 K HN 0.425 nan 8.250 nan 0.000 0.443 41 A N 1.973 124.837 122.820 0.073 0.000 1.972 41 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 41 A C 1.710 179.350 177.584 0.095 0.000 1.169 41 A CA 1.389 53.483 52.037 0.095 0.000 0.635 41 A CB -0.218 18.851 19.000 0.116 0.000 0.810 41 A HN 0.200 nan 8.150 nan 0.000 0.446 42 K N -0.462 119.986 120.400 0.080 0.000 2.366 42 K HA -0.050 4.270 4.320 -0.000 0.000 0.198 42 K C 1.738 178.386 176.600 0.080 0.000 1.044 42 K CA 0.992 57.325 56.287 0.076 0.000 0.973 42 K CB -0.043 32.495 32.500 0.063 0.000 0.767 42 K HN 0.605 nan 8.250 nan 0.000 0.475 43 Q N 0.315 120.169 119.800 0.090 0.000 2.432 43 Q HA 0.096 4.436 4.340 -0.000 0.000 0.205 43 Q C 0.014 176.101 176.000 0.144 0.000 0.945 43 Q CA 0.303 56.170 55.803 0.106 0.000 0.924 43 Q CB 0.217 29.012 28.738 0.096 0.000 1.016 43 Q HN 0.211 nan 8.270 nan 0.000 0.503 44 L N -0.146 121.161 121.223 0.140 0.000 2.334 44 L HA 0.240 4.580 4.340 -0.000 0.000 0.275 44 L C 1.183 178.118 176.870 0.108 0.000 1.036 44 L CA -0.293 54.636 54.840 0.148 0.000 0.807 44 L CB 1.617 43.761 42.059 0.141 0.000 1.231 44 L HN 0.030 nan 8.230 nan 0.000 0.438 45 T N -3.350 111.281 114.554 0.128 0.000 3.023 45 T HA 0.212 4.562 4.350 -0.000 0.000 0.249 45 T C 0.273 174.955 174.700 -0.030 0.000 1.050 45 T CA 0.251 62.404 62.100 0.087 0.000 1.088 45 T CB 0.029 69.011 68.868 0.191 0.000 0.946 45 T HN 0.531 nan 8.240 nan 0.000 0.480 46 H N -0.533 118.521 119.070 -0.028 0.000 2.930 46 H HA 0.681 5.237 4.556 -0.000 0.000 0.371 46 H C -1.339 173.930 175.328 -0.100 0.000 1.169 46 H CA -1.071 54.947 56.048 -0.050 0.000 1.157 46 H CB 1.566 31.271 29.762 -0.096 0.000 1.789 46 H HN 0.141 nan 8.280 nan 0.000 0.547 47 I N 2.298 122.905 120.570 0.062 0.000 2.410 47 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 47 I C -0.625 175.490 176.117 -0.003 0.000 1.009 47 I CA -0.784 60.515 61.300 -0.001 0.000 1.111 47 I CB 1.254 39.287 38.000 0.055 0.000 1.262 47 I HN 0.474 nan 8.210 nan 0.000 0.443 48 N N 6.491 125.078 118.700 -0.188 0.000 2.500 48 N HA 0.209 4.949 4.740 -0.000 0.000 0.236 48 N C -0.586 174.904 175.510 -0.034 0.000 1.022 48 N CA -0.323 52.590 53.050 -0.228 0.000 0.935 48 N CB 0.535 38.544 38.487 -0.797 0.000 1.147 48 N HN 0.398 nan 8.380 nan 0.000 0.512 49 F N 1.980 121.956 119.950 0.043 0.000 2.578 49 F HA 0.110 4.637 4.527 -0.000 0.000 0.381 49 F C 0.098 175.933 175.800 0.059 0.000 1.069 49 F CA 0.320 58.411 58.000 0.152 0.000 1.231 49 F CB 0.365 39.531 39.000 0.276 0.000 1.086 49 F HN 0.204 nan 8.300 nan 0.000 0.564 50 S N 6.225 121.457 115.700 -0.780 0.000 2.521 50 S HA 0.698 5.168 4.470 -0.000 0.000 0.295 50 S C -1.292 173.048 174.600 -0.433 0.000 1.098 50 S CA -0.475 57.379 58.200 -0.577 0.000 0.999 50 S CB 1.308 63.953 63.200 -0.925 0.000 1.034 50 S HN 0.468 nan 8.310 nan 0.000 0.483 51 F N 1.193 121.259 119.950 0.193 0.000 2.588 51 F HA 0.665 5.192 4.527 -0.000 0.000 0.314 51 F C -0.357 175.623 175.800 0.300 0.000 1.069 51 F CA -0.874 57.303 58.000 0.296 0.000 0.931 51 F CB 1.106 40.336 39.000 0.384 0.000 1.260 51 F HN 0.322 nan 8.300 nan 0.000 0.465 52 L N 0.902 122.374 121.223 0.415 0.000 2.347 52 L HA 0.602 4.942 4.340 -0.000 0.000 0.268 52 L C -0.499 176.480 176.870 0.182 0.000 1.019 52 L CA -0.205 54.688 54.840 0.088 0.000 0.806 52 L CB 1.285 43.248 42.059 -0.160 0.000 1.339 52 L HN 0.644 nan 8.230 nan 0.000 0.463 53 D N -1.402 118.972 120.400 -0.044 0.000 2.798 53 D HA 0.528 5.168 4.640 -0.000 0.000 0.308 53 D C -1.520 174.653 176.300 -0.211 0.000 1.187 53 D CA -0.350 53.547 54.000 -0.172 0.000 1.033 53 D CB 1.309 41.706 40.800 -0.672 0.000 1.445 53 D HN 0.258 nan 8.370 nan 0.000 0.550 54 I N 2.281 122.598 120.570 -0.422 0.000 2.410 54 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 54 I C -0.114 175.774 176.117 -0.381 0.000 1.009 54 I CA -0.899 60.104 61.300 -0.494 0.000 1.111 54 I CB 1.296 38.677 38.000 -1.031 0.000 1.262 54 I HN 0.343 nan 8.210 nan 0.000 0.443 55 N N 3.637 122.200 118.700 -0.228 0.000 2.366 55 N HA 0.090 4.830 4.740 -0.000 0.000 0.277 55 N C 0.988 176.401 175.510 -0.162 0.000 1.275 55 N CA -0.337 52.613 53.050 -0.167 0.000 0.964 55 N CB 0.203 38.636 38.487 -0.089 0.000 1.167 55 N HN 0.520 nan 8.380 nan 0.000 0.568 56 S N -1.531 114.102 115.700 -0.112 0.000 2.423 56 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 56 S C 0.891 175.440 174.600 -0.085 0.000 1.014 56 S CA 0.502 58.644 58.200 -0.097 0.000 0.965 56 S CB -0.575 62.586 63.200 -0.065 0.000 0.785 56 S HN 0.566 nan 8.310 nan 0.000 0.495 57 N N 1.758 120.417 118.700 -0.068 0.000 2.515 57 N HA 0.220 4.960 4.740 -0.000 0.000 0.191 57 N C 0.317 175.792 175.510 -0.057 0.000 1.182 57 N CA 0.257 53.278 53.050 -0.048 0.000 0.879 57 N CB -0.548 37.924 38.487 -0.025 0.000 0.984 57 N HN 0.476 nan 8.380 nan 0.000 0.453 58 L N -0.353 120.808 121.223 -0.105 0.000 3.717 58 L HA -0.280 4.060 4.340 -0.000 0.000 0.414 58 L C -0.483 176.361 176.870 -0.044 0.000 1.228 58 L CA 0.929 55.683 54.840 -0.143 0.000 0.918 58 L CB -1.812 40.170 42.059 -0.129 0.000 1.865 58 L HN 0.244 nan 8.230 nan 0.000 0.922 59 E N -0.861 119.336 120.200 -0.005 0.000 2.336 59 E HA 0.401 4.751 4.350 -0.000 0.000 0.267 59 E C -0.346 176.313 176.600 0.098 0.000 0.906 59 E CA -0.841 55.629 56.400 0.116 0.000 0.781 59 E CB 2.545 32.277 29.700 0.054 0.000 1.261 59 E HN 0.261 nan 8.360 nan 0.000 0.436 60 C N 1.721 121.121 119.300 0.167 0.000 2.653 60 C HA 0.614 5.074 4.460 -0.000 0.000 0.421 60 C C -0.004 174.990 174.990 0.006 0.000 1.334 60 C CA 0.237 59.320 59.018 0.107 0.000 1.885 60 C CB -1.531 26.266 27.740 0.096 0.000 2.645 60 C HN 0.651 nan 8.230 nan 0.000 0.601 61 A N 5.022 127.813 122.820 -0.048 0.000 2.599 61 A HA 0.617 4.937 4.320 -0.000 0.000 0.294 61 A C -1.367 176.190 177.584 -0.046 0.000 1.055 61 A CA -0.653 51.372 52.037 -0.020 0.000 0.683 61 A CB 0.083 19.098 19.000 0.025 0.000 1.278 61 A HN 0.936 nan 8.150 nan 0.000 0.412 62 W N 1.044 122.310 121.300 -0.056 0.000 2.112 62 W HA 0.391 5.051 4.660 -0.000 0.000 0.349 62 W C 0.720 177.245 176.519 0.009 0.000 1.289 62 W CA 1.127 58.464 57.345 -0.013 0.000 1.256 62 W CB 0.468 29.895 29.460 -0.054 0.000 1.148 62 W HN 0.779 nan 8.180 nan 0.000 0.590 63 D N 2.404 122.999 120.400 0.326 0.000 2.488 63 D HA -0.023 4.617 4.640 -0.000 0.000 0.238 63 D C -1.473 174.947 176.300 0.201 0.000 1.138 63 D CA -1.105 53.026 54.000 0.217 0.000 0.873 63 D CB 1.153 42.152 40.800 0.332 0.000 1.183 63 D HN -0.052 nan 8.370 nan 0.000 0.458 64 P HA -0.166 nan 4.420 nan 0.000 0.216 64 P C 0.748 178.106 177.300 0.097 0.000 1.154 64 P CA 2.184 65.342 63.100 0.098 0.000 0.865 64 P CB 0.005 31.746 31.700 0.069 0.000 0.789 65 A N -1.677 121.212 122.820 0.116 0.000 2.239 65 A HA -0.007 4.313 4.320 -0.000 0.000 0.209 65 A C 0.849 178.492 177.584 0.100 0.000 1.171 65 A CA 0.828 52.927 52.037 0.103 0.000 0.768 65 A CB -1.302 17.768 19.000 0.117 0.000 0.790 65 A HN 0.141 nan 8.150 nan 0.000 0.478 66 T N 1.742 116.366 114.554 0.117 0.000 2.814 66 T HA 0.109 4.459 4.350 -0.000 0.000 0.297 66 T C 0.310 175.008 174.700 -0.003 0.000 0.956 66 T CA -0.390 61.760 62.100 0.084 0.000 1.123 66 T CB 0.384 69.332 68.868 0.134 0.000 0.902 66 T HN 0.386 nan 8.240 nan 0.000 0.528 67 N N 2.875 121.561 118.700 -0.023 0.000 2.421 67 N HA -0.016 4.724 4.740 -0.000 0.000 0.260 67 N C 0.827 176.258 175.510 -0.132 0.000 1.173 67 N CA -0.124 52.896 53.050 -0.050 0.000 0.960 67 N CB 0.706 39.180 38.487 -0.023 0.000 1.273 67 N HN 0.627 nan 8.380 nan 0.000 0.497 68 D N 3.657 123.964 120.400 -0.155 0.000 2.149 68 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 68 D C 1.624 177.797 176.300 -0.211 0.000 1.001 68 D CA 2.056 55.915 54.000 -0.235 0.000 0.849 68 D CB 0.234 40.947 40.800 -0.145 0.000 0.939 68 D HN 0.639 nan 8.370 nan 0.000 0.449 69 A N 0.201 122.938 122.820 -0.137 0.000 1.902 69 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 69 A C 2.139 179.649 177.584 -0.124 0.000 1.181 69 A CA 1.349 53.316 52.037 -0.117 0.000 0.623 69 A CB -0.409 18.545 19.000 -0.077 0.000 0.818 69 A HN 0.091 nan 8.150 nan 0.000 0.443 70 K N -0.268 120.066 120.400 -0.111 0.000 2.097 70 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 70 K C 2.301 178.791 176.600 -0.182 0.000 1.050 70 K CA 1.196 57.428 56.287 -0.093 0.000 0.938 70 K CB -0.579 31.904 32.500 -0.028 0.000 0.718 70 K HN 0.455 nan 8.250 nan 0.000 0.442 71 A N 1.617 124.265 122.820 -0.286 0.000 1.877 71 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 71 A C 2.194 179.547 177.584 -0.385 0.000 1.186 71 A CA 1.371 53.113 52.037 -0.491 0.000 0.620 71 A CB -0.422 17.914 19.000 -1.106 0.000 0.822 71 A HN 0.261 nan 8.150 nan 0.000 0.443 72 R N -0.687 119.652 120.500 -0.268 0.000 2.120 72 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 72 R C 1.919 178.120 176.300 -0.165 0.000 1.123 72 R CA 1.469 57.475 56.100 -0.157 0.000 0.975 72 R CB -0.394 29.806 30.300 -0.167 0.000 0.866 72 R HN 0.684 nan 8.270 nan 0.000 0.446 73 D N 0.142 120.442 120.400 -0.167 0.000 2.097 73 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 73 D C 1.754 177.936 176.300 -0.196 0.000 0.984 73 D CA 0.923 54.837 54.000 -0.144 0.000 0.826 73 D CB 0.178 40.915 40.800 -0.105 0.000 0.973 73 D HN -0.076 nan 8.370 nan 0.000 0.460 74 V N -0.123 119.615 119.914 -0.293 0.000 2.295 74 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 74 V C 2.619 178.624 176.094 -0.148 0.000 1.049 74 V CA 1.304 63.392 62.300 -0.353 0.000 1.024 74 V CB -0.376 31.252 31.823 -0.324 0.000 0.648 74 V HN 0.161 nan 8.190 nan 0.000 0.447 75 V N 0.758 120.580 119.914 -0.153 0.000 2.407 75 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 75 V C 2.307 178.325 176.094 -0.126 0.000 1.055 75 V CA 2.029 64.241 62.300 -0.146 0.000 1.049 75 V CB -0.861 30.807 31.823 -0.257 0.000 0.662 75 V HN 0.581 nan 8.190 nan 0.000 0.455 76 N N 0.321 118.944 118.700 -0.128 0.000 2.188 76 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 76 N C 1.956 177.433 175.510 -0.056 0.000 1.018 76 N CA 1.176 54.166 53.050 -0.099 0.000 0.858 76 N CB -0.340 38.089 38.487 -0.097 0.000 0.989 76 N HN 0.488 nan 8.380 nan 0.000 0.426 77 R N 0.443 120.916 120.500 -0.045 0.000 2.096 77 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 77 R C 2.221 178.527 176.300 0.010 0.000 1.127 77 R CA 0.658 56.756 56.100 -0.003 0.000 0.968 77 R CB -0.279 30.031 30.300 0.017 0.000 0.861 77 R HN 0.203 nan 8.270 nan 0.000 0.440 78 L N 0.099 121.323 121.223 0.002 0.000 2.005 78 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 78 L C 2.663 179.553 176.870 0.034 0.000 1.072 78 L CA 1.848 56.703 54.840 0.026 0.000 0.744 78 L CB -0.850 41.256 42.059 0.077 0.000 0.895 78 L HN 0.373 nan 8.230 nan 0.000 0.433 79 T N -2.619 111.940 114.554 0.009 0.000 2.929 79 T HA -0.102 4.248 4.350 -0.000 0.000 0.271 79 T C 1.813 176.507 174.700 -0.009 0.000 1.085 79 T CA 0.845 62.947 62.100 0.003 0.000 1.125 79 T CB -0.345 68.502 68.868 -0.034 0.000 0.874 79 T HN 0.318 nan 8.240 nan 0.000 0.494 80 A N 1.478 124.291 122.820 -0.012 0.000 2.015 80 A HA 0.224 4.544 4.320 -0.000 0.000 0.219 80 A C 2.331 179.901 177.584 -0.024 0.000 1.163 80 A CA 0.864 52.887 52.037 -0.024 0.000 0.646 80 A CB -0.830 18.167 19.000 -0.004 0.000 0.806 80 A HN 0.573 nan 8.150 nan 0.000 0.448 81 L N -0.902 120.347 121.223 0.043 0.000 2.191 81 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 81 L C 2.223 179.124 176.870 0.052 0.000 1.103 81 L CA 1.300 56.219 54.840 0.132 0.000 0.769 81 L CB -0.371 41.767 42.059 0.131 0.000 0.908 81 L HN 0.334 nan 8.230 nan 0.000 0.438 82 K N 0.227 120.624 120.400 -0.004 0.000 2.360 82 K HA -0.122 4.198 4.320 -0.000 0.000 0.201 82 K C 2.152 178.700 176.600 -0.086 0.000 1.046 82 K CA 0.973 57.246 56.287 -0.023 0.000 0.945 82 K CB -0.205 32.285 32.500 -0.016 0.000 0.750 82 K HN 0.300 nan 8.250 nan 0.000 0.464 83 A N 1.038 123.737 122.820 -0.201 0.000 1.972 83 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 83 A C 1.453 178.837 177.584 -0.332 0.000 1.169 83 A CA 1.276 53.130 52.037 -0.305 0.000 0.635 83 A CB -0.442 18.293 19.000 -0.441 0.000 0.810 83 A HN 0.308 nan 8.150 nan 0.000 0.446 84 H N -1.872 117.203 119.070 0.009 0.000 2.562 84 H HA 0.098 4.654 4.556 -0.000 0.000 0.267 84 H C -0.120 175.217 175.328 0.014 0.000 0.959 84 H CA 0.812 56.868 56.048 0.013 0.000 1.204 84 H CB 0.189 29.961 29.762 0.017 0.000 1.430 84 H HN 0.495 nan 8.280 nan 0.000 0.545 85 N N 1.011 119.760 118.700 0.082 0.000 2.594 85 N HA 0.082 4.822 4.740 -0.000 0.000 0.280 85 N C -2.297 173.223 175.510 0.016 0.000 1.156 85 N CA -1.704 51.380 53.050 0.057 0.000 0.831 85 N CB 1.733 40.263 38.487 0.072 0.000 1.379 85 N HN -0.140 nan 8.380 nan 0.000 0.536 86 P HA 0.024 nan 4.420 nan 0.000 0.234 86 P C 0.258 177.546 177.300 -0.019 0.000 1.167 86 P CA 0.620 63.713 63.100 -0.012 0.000 0.763 86 P CB 0.503 32.197 31.700 -0.010 0.000 0.835 87 S N -0.856 114.836 115.700 -0.015 0.000 2.523 87 S HA 0.116 4.586 4.470 -0.000 0.000 0.217 87 S C 0.671 175.230 174.600 -0.068 0.000 0.996 87 S CA -0.431 57.749 58.200 -0.033 0.000 0.921 87 S CB -0.312 62.881 63.200 -0.012 0.000 0.829 87 S HN 0.068 nan 8.310 nan 0.000 0.495 88 L N 3.344 124.540 121.223 -0.045 0.000 2.410 88 L HA 0.303 4.643 4.340 -0.000 0.000 0.273 88 L C -0.051 176.771 176.870 -0.081 0.000 1.152 88 L CA 0.448 55.253 54.840 -0.059 0.000 0.855 88 L CB 0.273 42.334 42.059 0.004 0.000 1.129 88 L HN 0.005 nan 8.230 nan 0.000 0.463 89 R N 5.726 126.135 120.500 -0.151 0.000 2.562 89 R HA 0.552 4.892 4.340 -0.000 0.000 0.298 89 R C -1.133 175.198 176.300 0.052 0.000 0.961 89 R CA -0.940 55.117 56.100 -0.070 0.000 0.881 89 R CB 1.656 31.855 30.300 -0.168 0.000 1.159 89 R HN 0.494 nan 8.270 nan 0.000 0.450 90 I N 4.911 125.579 120.570 0.163 0.000 2.337 90 I HA 0.255 4.425 4.170 -0.000 0.000 0.285 90 I C 0.307 176.664 176.117 0.401 0.000 1.041 90 I CA -0.194 61.270 61.300 0.272 0.000 1.199 90 I CB 0.680 38.865 38.000 0.309 0.000 1.370 90 I HN 0.522 nan 8.210 nan 0.000 0.470 91 M N 6.160 125.911 119.600 0.252 0.000 2.513 91 M HA 0.537 5.016 4.480 -0.000 0.000 0.291 91 M C -0.360 175.926 176.300 -0.023 0.000 1.190 91 M CA -0.521 54.854 55.300 0.126 0.000 0.960 91 M CB 1.433 34.030 32.600 -0.005 0.000 1.517 91 M HN 0.356 nan 8.290 nan 0.000 0.499 92 F N -1.294 118.391 119.950 -0.442 0.000 2.563 92 F HA 0.760 5.287 4.527 -0.000 0.000 0.316 92 F C -0.463 175.230 175.800 -0.178 0.000 1.076 92 F CA -1.092 56.570 58.000 -0.563 0.000 0.921 92 F CB 1.342 39.527 39.000 -1.359 0.000 1.209 92 F HN 0.479 nan 8.300 nan 0.000 0.462 93 S N 2.878 118.621 115.700 0.072 0.000 2.454 93 S HA 0.734 5.204 4.470 -0.000 0.000 0.306 93 S C -0.872 173.965 174.600 0.395 0.000 1.100 93 S CA -0.645 57.680 58.200 0.208 0.000 1.087 93 S CB 0.552 64.038 63.200 0.478 0.000 1.019 93 S HN 0.616 nan 8.310 nan 0.000 0.480 94 I N 4.799 125.549 120.570 0.300 0.000 2.339 94 I HA 0.629 4.799 4.170 -0.000 0.000 0.290 94 I C 0.990 177.280 176.117 0.289 0.000 0.994 94 I CA 0.004 61.502 61.300 0.330 0.000 1.191 94 I CB 0.975 39.150 38.000 0.291 0.000 1.343 94 I HN 0.972 nan 8.210 nan 0.000 0.458 95 G N 4.202 113.131 108.800 0.214 0.000 2.246 95 G HA2 0.362 4.322 3.960 -0.000 0.000 0.196 95 G HA3 0.362 4.322 3.960 -0.000 0.000 0.196 95 G C -0.062 174.348 174.900 -0.816 0.000 1.180 95 G CA 0.068 45.087 45.100 -0.136 0.000 1.291 95 G HN 1.431 nan 8.290 nan 0.000 0.508 96 G N -1.905 106.219 108.800 -1.126 0.000 2.662 96 G HA2 0.130 4.090 3.960 -0.000 0.000 0.686 96 G HA3 0.130 4.090 3.960 -0.000 0.000 0.686 96 G C 0.664 175.102 174.900 -0.771 0.000 1.271 96 G CA 0.456 44.614 45.100 -1.570 0.000 0.816 96 G HN 1.933 nan 8.290 nan 0.000 0.608 97 W N 0.677 121.566 121.300 -0.685 0.000 2.333 97 W HA -0.184 4.476 4.660 -0.000 0.000 0.316 97 W C 2.031 178.338 176.519 -0.353 0.000 1.215 97 W CA 2.659 59.714 57.345 -0.483 0.000 1.278 97 W CB -0.370 28.852 29.460 -0.397 0.000 1.154 97 W HN 0.714 nan 8.180 nan 0.000 0.486 98 Y N 0.692 120.764 120.300 -0.380 0.000 2.114 98 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 98 Y C 2.446 178.142 175.900 -0.340 0.000 1.165 98 Y CA 2.672 60.561 58.100 -0.351 0.000 1.148 98 Y CB -1.295 36.989 38.460 -0.293 0.000 0.972 98 Y HN -0.082 nan 8.280 nan 0.000 0.504 99 Y N -0.611 119.424 120.300 -0.442 0.000 2.243 99 Y HA -0.083 4.467 4.550 -0.000 0.000 0.293 99 Y C 2.870 178.411 175.900 -0.598 0.000 1.124 99 Y CA 1.245 59.061 58.100 -0.473 0.000 1.159 99 Y CB -1.124 37.202 38.460 -0.224 0.000 1.008 99 Y HN 0.273 nan 8.280 nan 0.000 0.527 100 S N -0.170 115.147 115.700 -0.638 0.000 2.524 100 S HA 0.069 4.539 4.470 -0.000 0.000 0.215 100 S C 0.418 174.678 174.600 -0.566 0.000 0.986 100 S CA -0.319 57.356 58.200 -0.876 0.000 0.911 100 S CB -1.203 61.263 63.200 -1.224 0.000 0.805 100 S HN 0.487 nan 8.310 nan 0.000 0.501 101 N N 1.753 119.944 118.700 -0.849 0.000 2.381 101 N HA 0.066 4.806 4.740 -0.000 0.000 0.241 101 N C 0.193 175.305 175.510 -0.664 0.000 1.279 101 N CA 0.062 52.484 53.050 -1.047 0.000 0.896 101 N CB 0.157 37.296 38.487 -2.245 0.000 1.118 101 N HN -0.178 nan 8.380 nan 0.000 0.438 102 D N 0.427 120.462 120.400 -0.607 0.000 2.220 102 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 102 D C 0.855 176.737 176.300 -0.696 0.000 1.001 102 D CA 1.543 55.078 54.000 -0.775 0.000 0.875 102 D CB -0.101 40.475 40.800 -0.374 0.000 0.921 102 D HN 0.586 nan 8.370 nan 0.000 0.454 103 L N -0.795 120.162 121.223 -0.445 0.000 2.910 103 L HA 0.362 4.702 4.340 -0.000 0.000 0.252 103 L C 1.186 177.892 176.870 -0.273 0.000 1.195 103 L CA -0.540 54.133 54.840 -0.280 0.000 1.003 103 L CB 0.620 42.584 42.059 -0.158 0.000 1.328 103 L HN -0.145 nan 8.230 nan 0.000 0.540 104 G N 0.223 108.798 108.800 -0.375 0.000 2.539 104 G HA2 0.300 4.260 3.960 -0.000 0.000 0.258 104 G HA3 0.300 4.260 3.960 -0.000 0.000 0.258 104 G C 1.216 175.948 174.900 -0.279 0.000 1.202 104 G CA 0.032 44.888 45.100 -0.407 0.000 0.851 104 G HN 0.009 nan 8.290 nan 0.000 0.556 105 V N -1.077 118.620 119.914 -0.362 0.000 2.568 105 V HA -0.092 4.028 4.120 -0.000 0.000 0.253 105 V C 1.719 177.736 176.094 -0.128 0.000 1.072 105 V CA 2.374 64.541 62.300 -0.221 0.000 1.084 105 V CB -0.277 31.400 31.823 -0.244 0.000 0.676 105 V HN 0.429 nan 8.190 nan 0.000 0.469 106 S N -1.464 114.165 115.700 -0.119 0.000 2.629 106 S HA 0.207 4.677 4.470 -0.000 0.000 0.236 106 S C 1.413 176.016 174.600 0.005 0.000 1.010 106 S CA 0.162 58.329 58.200 -0.054 0.000 0.981 106 S CB -0.494 62.694 63.200 -0.020 0.000 0.919 106 S HN 0.824 nan 8.310 nan 0.000 0.514 107 H N 2.635 121.619 119.070 -0.143 0.000 2.292 107 H HA -0.236 4.320 4.556 -0.000 0.000 0.292 107 H C 2.192 177.470 175.328 -0.084 0.000 1.100 107 H CA 2.072 58.029 56.048 -0.151 0.000 1.238 107 H CB -0.177 29.486 29.762 -0.164 0.000 1.355 107 H HN 0.464 nan 8.280 nan 0.000 0.484 108 A N 0.815 123.551 122.820 -0.139 0.000 1.940 108 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 108 A C 2.287 179.716 177.584 -0.259 0.000 1.176 108 A CA 1.840 53.769 52.037 -0.181 0.000 0.631 108 A CB -0.821 18.135 19.000 -0.072 0.000 0.814 108 A HN 0.726 nan 8.150 nan 0.000 0.446 109 N N -1.766 116.775 118.700 -0.265 0.000 2.166 109 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 109 N C 1.540 176.680 175.510 -0.616 0.000 1.019 109 N CA 1.582 54.400 53.050 -0.386 0.000 0.856 109 N CB -0.321 37.919 38.487 -0.412 0.000 0.993 109 N HN 0.633 nan 8.380 nan 0.000 0.426 110 Y N 0.927 120.777 120.300 -0.750 0.000 2.163 110 Y HA -0.104 4.446 4.550 -0.000 0.000 0.288 110 Y C 2.446 177.747 175.900 -0.999 0.000 1.136 110 Y CA 0.577 57.983 58.100 -1.157 0.000 1.147 110 Y CB -0.667 36.654 38.460 -1.899 0.000 0.987 110 Y HN -0.141 nan 8.280 nan 0.000 0.509 111 V N 0.606 120.178 119.914 -0.570 0.000 2.343 111 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 111 V C 1.835 177.838 176.094 -0.150 0.000 1.051 111 V CA 2.097 64.281 62.300 -0.193 0.000 1.036 111 V CB -0.530 31.208 31.823 -0.142 0.000 0.654 111 V HN 0.484 nan 8.190 nan 0.000 0.451 112 N N 0.325 118.892 118.700 -0.221 0.000 2.300 112 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 112 N C 1.889 177.290 175.510 -0.183 0.000 1.016 112 N CA 1.363 54.317 53.050 -0.160 0.000 0.876 112 N CB -0.349 38.049 38.487 -0.148 0.000 0.979 112 N HN 0.469 nan 8.380 nan 0.000 0.432 113 A N 0.867 123.496 122.820 -0.318 0.000 1.972 113 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 113 A C 2.086 179.544 177.584 -0.209 0.000 1.169 113 A CA 1.646 53.476 52.037 -0.345 0.000 0.635 113 A CB -0.487 18.070 19.000 -0.738 0.000 0.810 113 A HN 0.221 nan 8.150 nan 0.000 0.446 114 V N -3.646 116.174 119.914 -0.156 0.000 3.647 114 V HA 0.206 4.326 4.120 -0.000 0.000 0.279 114 V C 1.587 177.712 176.094 0.051 0.000 1.314 114 V CA 1.051 63.359 62.300 0.013 0.000 1.125 114 V CB -0.344 31.575 31.823 0.160 0.000 0.907 114 V HN 0.419 nan 8.190 nan 0.000 0.434 115 K N 1.655 122.062 120.400 0.012 0.000 2.057 115 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 115 K C 1.132 177.750 176.600 0.029 0.000 1.050 115 K CA 1.776 58.079 56.287 0.026 0.000 0.935 115 K CB -0.014 32.488 32.500 0.004 0.000 0.715 115 K HN 0.779 nan 8.250 nan 0.000 0.439 116 T N -3.636 110.930 114.554 0.020 0.000 2.926 116 T HA 0.293 4.643 4.350 -0.000 0.000 0.289 116 T C -2.425 172.292 174.700 0.028 0.000 1.054 116 T CA -1.995 60.119 62.100 0.023 0.000 1.015 116 T CB 1.853 70.729 68.868 0.013 0.000 1.167 116 T HN -0.253 nan 8.240 nan 0.000 0.526 117 P HA -0.028 nan 4.420 nan 0.000 0.215 117 P C 1.614 178.929 177.300 0.025 0.000 1.153 117 P CA 1.634 64.750 63.100 0.026 0.000 0.853 117 P CB -0.224 31.488 31.700 0.020 0.000 0.788 118 A N -0.062 122.770 122.820 0.019 0.000 1.873 118 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 118 A C 2.393 179.992 177.584 0.024 0.000 1.186 118 A CA 2.336 54.384 52.037 0.017 0.000 0.616 118 A CB -1.630 17.376 19.000 0.010 0.000 0.823 118 A HN 0.324 nan 8.150 nan 0.000 0.442 119 S N -0.155 115.558 115.700 0.021 0.000 2.383 119 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 119 S C 2.000 176.642 174.600 0.070 0.000 1.026 119 S CA 1.163 59.377 58.200 0.024 0.000 0.981 119 S CB -0.471 62.724 63.200 -0.008 0.000 0.818 119 S HN 0.587 nan 8.310 nan 0.000 0.472 120 R N 1.236 121.780 120.500 0.073 0.000 2.092 120 R HA 0.133 4.473 4.340 -0.000 0.000 0.231 120 R C 2.721 179.083 176.300 0.103 0.000 1.119 120 R CA 1.170 57.343 56.100 0.120 0.000 0.970 120 R CB -0.662 29.690 30.300 0.087 0.000 0.864 120 R HN 0.592 nan 8.270 nan 0.000 0.440 121 A N 1.450 124.303 122.820 0.056 0.000 1.897 121 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 121 A C 2.068 179.665 177.584 0.021 0.000 1.181 121 A CA 1.217 53.269 52.037 0.025 0.000 0.620 121 A CB -0.293 18.715 19.000 0.015 0.000 0.821 121 A HN 0.183 nan 8.150 nan 0.000 0.443 122 K N -1.419 119.005 120.400 0.040 0.000 2.057 122 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 122 K C 1.834 178.471 176.600 0.062 0.000 1.049 122 K CA 1.753 58.062 56.287 0.038 0.000 0.931 122 K CB -0.352 32.171 32.500 0.038 0.000 0.714 122 K HN 0.379 nan 8.250 nan 0.000 0.440 123 F N 1.458 121.379 119.950 -0.048 0.000 2.075 123 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 123 F C 2.039 177.816 175.800 -0.038 0.000 1.113 123 F CA 1.435 59.398 58.000 -0.061 0.000 1.218 123 F CB -0.873 38.076 39.000 -0.085 0.000 0.984 123 F HN 0.097 nan 8.300 nan 0.000 0.472 124 A N 0.464 123.099 122.820 -0.308 0.000 1.892 124 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 124 A C 2.171 179.600 177.584 -0.258 0.000 1.188 124 A CA 1.913 53.736 52.037 -0.357 0.000 0.631 124 A CB -0.960 17.957 19.000 -0.138 0.000 0.822 124 A HN 0.560 nan 8.150 nan 0.000 0.447 125 Q N 0.163 119.877 119.800 -0.144 0.000 2.135 125 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 125 Q C 2.543 178.480 176.000 -0.105 0.000 0.981 125 Q CA 1.990 57.735 55.803 -0.096 0.000 0.856 125 Q CB -0.660 28.048 28.738 -0.051 0.000 0.902 125 Q HN 0.870 nan 8.270 nan 0.000 0.425 126 S N -0.527 115.097 115.700 -0.126 0.000 2.402 126 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 126 S C 2.312 176.843 174.600 -0.114 0.000 1.021 126 S CA 0.996 59.142 58.200 -0.089 0.000 0.974 126 S CB -0.598 62.578 63.200 -0.039 0.000 0.800 126 S HN 0.336 nan 8.310 nan 0.000 0.484 127 C N 1.297 120.450 119.300 -0.245 0.000 2.432 127 C HA 0.029 4.489 4.460 -0.000 0.000 0.277 127 C C 2.802 177.816 174.990 0.041 0.000 1.249 127 C CA 0.751 59.701 59.018 -0.113 0.000 1.725 127 C CB -1.361 26.190 27.740 -0.314 0.000 2.028 127 C HN 0.543 nan 8.230 nan 0.000 0.477 128 V N 1.204 121.085 119.914 -0.054 0.000 2.343 128 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 128 V C 2.594 178.671 176.094 -0.029 0.000 1.051 128 V CA 2.190 64.460 62.300 -0.049 0.000 1.036 128 V CB -0.842 30.925 31.823 -0.093 0.000 0.654 128 V HN 0.540 nan 8.190 nan 0.000 0.451 129 R N 0.145 120.629 120.500 -0.026 0.000 2.073 129 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 129 R C 2.294 178.615 176.300 0.034 0.000 1.134 129 R CA 1.806 57.902 56.100 -0.007 0.000 0.952 129 R CB -0.231 30.066 30.300 -0.005 0.000 0.850 129 R HN 0.333 nan 8.270 nan 0.000 0.433 130 I N 1.203 121.799 120.570 0.044 0.000 2.226 130 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 130 I C 2.520 178.698 176.117 0.102 0.000 1.100 130 I CA 1.351 62.702 61.300 0.085 0.000 1.374 130 I CB -0.910 37.004 38.000 -0.144 0.000 1.057 130 I HN 0.461 nan 8.210 nan 0.000 0.413 131 M N 0.586 120.242 119.600 0.094 0.000 2.065 131 M HA -0.259 4.221 4.480 -0.000 0.000 0.259 131 M C 2.212 178.605 176.300 0.155 0.000 1.071 131 M CA 1.924 57.393 55.300 0.281 0.000 1.109 131 M CB -0.172 32.600 32.600 0.287 0.000 1.313 131 M HN -0.011 nan 8.290 nan 0.000 0.408 132 K N 0.186 120.601 120.400 0.026 0.000 2.148 132 K HA -0.135 4.185 4.320 -0.000 0.000 0.204 132 K C 1.646 178.223 176.600 -0.037 0.000 1.050 132 K CA 1.339 57.613 56.287 -0.022 0.000 0.942 132 K CB -0.777 31.689 32.500 -0.056 0.000 0.724 132 K HN 0.434 nan 8.250 nan 0.000 0.446 133 D N -0.302 120.079 120.400 -0.032 0.000 2.117 133 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 133 D C 1.467 177.554 176.300 -0.354 0.000 0.982 133 D CA 1.070 54.972 54.000 -0.163 0.000 0.828 133 D CB 0.039 40.760 40.800 -0.131 0.000 0.967 133 D HN 0.207 nan 8.370 nan 0.000 0.464 134 Y N -0.949 119.268 120.300 -0.138 0.000 2.482 134 Y HA 0.285 4.835 4.550 -0.000 0.000 0.270 134 Y C 1.699 177.325 175.900 -0.457 0.000 1.152 134 Y CA 0.519 58.441 58.100 -0.297 0.000 1.292 134 Y CB 0.779 39.055 38.460 -0.307 0.000 1.070 134 Y HN 0.047 nan 8.280 nan 0.000 0.528 135 G N -0.498 108.182 108.800 -0.199 0.000 2.132 135 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.228 135 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.228 135 G C -0.101 174.750 174.900 -0.082 0.000 1.000 135 G CA -0.477 44.534 45.100 -0.147 0.000 0.693 135 G HN 0.121 nan 8.290 nan 0.000 0.515 136 F N 0.560 120.607 119.950 0.160 0.000 2.403 136 F HA 0.440 4.967 4.527 -0.000 0.000 0.320 136 F C 1.391 177.347 175.800 0.259 0.000 1.176 136 F CA -0.259 57.884 58.000 0.238 0.000 1.206 136 F CB 0.582 39.826 39.000 0.406 0.000 1.235 136 F HN -0.017 nan 8.300 nan 0.000 0.565 137 D N -0.001 120.697 120.400 0.497 0.000 2.398 137 D HA 0.289 4.928 4.640 -0.000 0.000 0.210 137 D C 0.655 177.208 176.300 0.422 0.000 1.094 137 D CA 0.440 54.700 54.000 0.435 0.000 0.839 137 D CB 0.848 41.802 40.800 0.257 0.000 0.963 137 D HN 0.621 nan 8.370 nan 0.000 0.506 138 G N -0.298 108.696 108.800 0.324 0.000 2.349 138 G HA2 0.379 4.339 3.960 -0.000 0.000 0.294 138 G HA3 0.379 4.339 3.960 -0.000 0.000 0.294 138 G C -1.829 173.005 174.900 -0.109 0.000 1.380 138 G CA -0.545 44.650 45.100 0.158 0.000 0.811 138 G HN -0.072 nan 8.290 nan 0.000 0.519 139 V N 0.485 120.249 119.914 -0.250 0.000 2.540 139 V HA 0.647 4.767 4.120 -0.000 0.000 0.302 139 V C -1.038 174.845 176.094 -0.352 0.000 1.035 139 V CA -0.483 61.455 62.300 -0.604 0.000 0.873 139 V CB 1.790 33.371 31.823 -0.405 0.000 0.992 139 V HN 0.860 nan 8.190 nan 0.000 0.428 140 D N 3.797 123.964 120.400 -0.388 0.000 2.502 140 D HA 0.518 5.158 4.640 -0.000 0.000 0.249 140 D C -0.976 175.325 176.300 0.002 0.000 1.092 140 D CA -0.409 53.532 54.000 -0.098 0.000 0.839 140 D CB 1.262 42.054 40.800 -0.012 0.000 1.264 140 D HN 0.250 nan 8.370 nan 0.000 0.511 141 I N 3.949 124.582 120.570 0.105 0.000 2.321 141 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 141 I C 0.188 176.456 176.117 0.252 0.000 0.998 141 I CA -0.380 61.050 61.300 0.218 0.000 1.227 141 I CB 0.937 39.112 38.000 0.291 0.000 1.368 141 I HN 0.590 nan 8.210 nan 0.000 0.466 142 N N 6.871 125.700 118.700 0.215 0.000 2.886 142 N HA 0.050 4.790 4.740 -0.000 0.000 0.285 142 N C -1.178 174.302 175.510 -0.051 0.000 1.706 142 N CA -0.465 52.636 53.050 0.085 0.000 0.904 142 N CB 0.630 39.173 38.487 0.094 0.000 1.224 142 N HN 0.519 nan 8.380 nan 0.000 0.488 143 W N 2.953 124.122 121.300 -0.218 0.000 2.332 143 W HA 0.299 4.959 4.660 -0.000 0.000 0.306 143 W C -0.747 175.377 176.519 -0.659 0.000 1.149 143 W CA -0.934 56.148 57.345 -0.438 0.000 1.271 143 W CB 0.225 29.535 29.460 -0.251 0.000 1.243 143 W HN 0.250 nan 8.180 nan 0.000 0.459 144 E N 7.081 126.956 120.200 -0.542 0.000 2.167 144 E HA 0.228 4.578 4.350 -0.000 0.000 0.247 144 E C -1.389 174.736 176.600 -0.791 0.000 0.961 144 E CA -0.336 55.200 56.400 -1.442 0.000 0.797 144 E CB 0.686 29.588 29.700 -1.331 0.000 1.182 144 E HN 0.334 nan 8.360 nan 0.000 0.437 145 Y N 0.588 120.616 120.300 -0.453 0.000 2.625 145 Y HA 0.310 4.860 4.550 -0.000 0.000 0.338 145 Y C -2.375 172.809 175.900 -1.193 0.000 1.123 145 Y CA -2.688 54.986 58.100 -0.710 0.000 1.046 145 Y CB 1.698 39.957 38.460 -0.335 0.000 1.299 145 Y HN 0.242 nan 8.280 nan 0.000 0.464 146 P HA 0.063 nan 4.420 nan 0.000 0.271 146 P C -0.952 175.982 177.300 -0.610 0.000 1.216 146 P CA -0.140 61.936 63.100 -1.706 0.000 0.776 146 P CB 1.310 31.900 31.700 -1.850 0.000 0.881 147 Q N 1.563 121.159 119.800 -0.341 0.000 2.396 147 Q HA 0.378 4.718 4.340 -0.000 0.000 0.221 147 Q C 1.680 177.623 176.000 -0.095 0.000 1.025 147 Q CA 0.053 55.786 55.803 -0.117 0.000 0.946 147 Q CB 0.378 29.104 28.738 -0.019 0.000 1.224 147 Q HN 0.503 nan 8.270 nan 0.000 0.539 148 A N 1.289 124.083 122.820 -0.043 0.000 1.948 148 A HA -0.220 4.099 4.320 -0.000 0.000 0.220 148 A C 1.871 179.451 177.584 -0.007 0.000 1.177 148 A CA 2.157 54.181 52.037 -0.022 0.000 0.636 148 A CB -1.206 17.780 19.000 -0.023 0.000 0.815 148 A HN 0.794 nan 8.150 nan 0.000 0.449 149 A N -0.344 122.476 122.820 0.000 0.000 2.066 149 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 149 A C 1.712 179.317 177.584 0.035 0.000 1.157 149 A CA 1.396 53.445 52.037 0.020 0.000 0.670 149 A CB -0.348 18.668 19.000 0.026 0.000 0.804 149 A HN 0.668 nan 8.150 nan 0.000 0.453 150 E N -0.435 119.777 120.200 0.020 0.000 2.479 150 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 150 E C 1.416 178.049 176.600 0.055 0.000 1.049 150 E CA 0.206 56.640 56.400 0.057 0.000 0.870 150 E CB 0.159 29.901 29.700 0.070 0.000 0.944 150 E HN 0.356 nan 8.360 nan 0.000 0.492 151 V N 1.915 121.840 119.914 0.018 0.000 2.343 151 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 151 V C 1.640 177.830 176.094 0.161 0.000 1.051 151 V CA 1.937 64.284 62.300 0.077 0.000 1.036 151 V CB -0.296 31.565 31.823 0.065 0.000 0.654 151 V HN 0.231 nan 8.190 nan 0.000 0.451 152 D N 0.616 121.083 120.400 0.111 0.000 2.178 152 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 152 D C 2.188 178.560 176.300 0.120 0.000 0.980 152 D CA 1.561 55.622 54.000 0.101 0.000 0.842 152 D CB -0.444 40.397 40.800 0.069 0.000 0.948 152 D HN 0.484 nan 8.370 nan 0.000 0.472 153 G N -0.110 108.777 108.800 0.146 0.000 2.403 153 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 153 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 153 G C 1.460 176.493 174.900 0.221 0.000 1.154 153 G CA 0.095 45.288 45.100 0.156 0.000 0.784 153 G HN 0.210 nan 8.290 nan 0.000 0.538 154 F N 1.571 121.587 119.950 0.110 0.000 2.069 154 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 154 F C 2.467 178.319 175.800 0.087 0.000 1.113 154 F CA 1.185 59.266 58.000 0.136 0.000 1.214 154 F CB -0.286 38.753 39.000 0.064 0.000 0.978 154 F HN 0.093 nan 8.300 nan 0.000 0.474 155 I N 0.188 120.809 120.570 0.085 0.000 2.163 155 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 155 I C 2.655 178.744 176.117 -0.048 0.000 1.085 155 I CA 1.375 62.651 61.300 -0.040 0.000 1.347 155 I CB -0.939 37.087 38.000 0.044 0.000 1.044 155 I HN 0.249 nan 8.210 nan 0.000 0.408 156 A N 0.557 123.385 122.820 0.013 0.000 1.930 156 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 156 A C 2.534 180.121 177.584 0.005 0.000 1.175 156 A CA 1.656 53.702 52.037 0.014 0.000 0.627 156 A CB -0.745 18.277 19.000 0.038 0.000 0.815 156 A HN 0.435 nan 8.150 nan 0.000 0.443 157 A N -0.061 122.771 122.820 0.019 0.000 1.902 157 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 157 A C 2.156 179.723 177.584 -0.028 0.000 1.181 157 A CA 1.544 53.612 52.037 0.052 0.000 0.623 157 A CB -0.615 18.470 19.000 0.142 0.000 0.818 157 A HN 0.475 nan 8.150 nan 0.000 0.443 158 L N -1.017 120.117 121.223 -0.147 0.000 2.093 158 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 158 L C 2.874 179.686 176.870 -0.098 0.000 1.085 158 L CA 1.544 56.279 54.840 -0.174 0.000 0.755 158 L CB -0.598 41.281 42.059 -0.300 0.000 0.904 158 L HN 0.475 nan 8.230 nan 0.000 0.435 159 Q N -0.447 119.309 119.800 -0.073 0.000 2.124 159 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 159 Q C 2.115 178.095 176.000 -0.033 0.000 0.977 159 Q CA 1.521 57.298 55.803 -0.043 0.000 0.850 159 Q CB -0.034 28.688 28.738 -0.026 0.000 0.901 159 Q HN 0.296 nan 8.270 nan 0.000 0.429 160 E N 0.962 121.145 120.200 -0.028 0.000 2.107 160 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 160 E C 1.616 178.191 176.600 -0.043 0.000 0.982 160 E CA 0.975 57.361 56.400 -0.024 0.000 0.809 160 E CB -0.091 29.604 29.700 -0.008 0.000 0.756 160 E HN 0.342 nan 8.360 nan 0.000 0.459 161 I N 0.201 120.733 120.570 -0.062 0.000 2.252 161 I HA -0.225 3.944 4.170 -0.000 0.000 0.245 161 I C 2.463 178.546 176.117 -0.057 0.000 1.102 161 I CA 0.993 62.241 61.300 -0.086 0.000 1.385 161 I CB -0.279 37.650 38.000 -0.118 0.000 1.064 161 I HN 0.069 nan 8.210 nan 0.000 0.414 162 R N 1.291 121.763 120.500 -0.047 0.000 2.080 162 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 162 R C 2.163 178.455 176.300 -0.014 0.000 1.137 162 R CA 2.502 58.585 56.100 -0.027 0.000 0.943 162 R CB -1.326 28.956 30.300 -0.030 0.000 0.846 162 R HN 0.208 nan 8.270 nan 0.000 0.431 163 T N 1.523 116.066 114.554 -0.017 0.000 2.635 163 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 163 T C 1.765 176.462 174.700 -0.006 0.000 1.040 163 T CA 1.949 64.044 62.100 -0.009 0.000 1.156 163 T CB -0.297 68.565 68.868 -0.011 0.000 0.863 163 T HN 0.200 nan 8.240 nan 0.000 0.430 164 L N 0.246 121.458 121.223 -0.018 0.000 2.141 164 L HA -0.014 4.326 4.340 -0.000 0.000 0.209 164 L C 2.485 179.349 176.870 -0.010 0.000 1.094 164 L CA 0.928 55.755 54.840 -0.021 0.000 0.763 164 L CB -0.615 41.417 42.059 -0.044 0.000 0.908 164 L HN 0.254 nan 8.230 nan 0.000 0.437 165 L N -0.404 120.818 121.223 -0.002 0.000 2.072 165 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 165 L C 2.243 179.184 176.870 0.118 0.000 1.079 165 L CA 0.902 55.767 54.840 0.041 0.000 0.752 165 L CB -0.522 41.567 42.059 0.051 0.000 0.906 165 L HN 0.310 nan 8.230 nan 0.000 0.436 166 N N -0.134 118.609 118.700 0.071 0.000 2.223 166 N HA -0.174 4.566 4.740 -0.000 0.000 0.185 166 N C 1.847 177.398 175.510 0.069 0.000 1.016 166 N CA 0.989 54.080 53.050 0.068 0.000 0.863 166 N CB -0.108 38.398 38.487 0.032 0.000 0.983 166 N HN 0.395 nan 8.380 nan 0.000 0.429 167 Q N -0.056 119.776 119.800 0.052 0.000 2.046 167 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 167 Q C 1.887 177.931 176.000 0.073 0.000 0.975 167 Q CA 1.100 56.930 55.803 0.045 0.000 0.836 167 Q CB -0.081 28.670 28.738 0.023 0.000 0.896 167 Q HN 0.249 nan 8.270 nan 0.000 0.428 168 Q N 0.126 119.981 119.800 0.093 0.000 2.124 168 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 168 Q C 1.864 178.052 176.000 0.314 0.000 0.977 168 Q CA 1.880 57.769 55.803 0.144 0.000 0.850 168 Q CB -0.269 28.479 28.738 0.017 0.000 0.901 168 Q HN 0.267 nan 8.270 nan 0.000 0.429 169 T N 0.689 115.446 114.554 0.338 0.000 2.684 169 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 169 T C 1.498 176.236 174.700 0.064 0.000 1.036 169 T CA 1.324 63.521 62.100 0.161 0.000 1.148 169 T CB -0.143 68.761 68.868 0.061 0.000 0.863 169 T HN 0.203 nan 8.240 nan 0.000 0.436 170 I N 1.489 122.097 120.570 0.063 0.000 2.252 170 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 170 I C 2.625 178.765 176.117 0.040 0.000 1.102 170 I CA 1.422 62.742 61.300 0.033 0.000 1.385 170 I CB -1.840 36.176 38.000 0.026 0.000 1.064 170 I HN 0.244 nan 8.210 nan 0.000 0.414 171 T N 0.891 115.481 114.554 0.061 0.000 2.833 171 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 171 T C 1.092 175.829 174.700 0.062 0.000 1.054 171 T CA 1.372 63.505 62.100 0.055 0.000 1.135 171 T CB -0.165 68.737 68.868 0.057 0.000 0.869 171 T HN 0.261 nan 8.240 nan 0.000 0.466 172 D N 0.024 120.481 120.400 0.096 0.000 2.340 172 D HA 0.280 4.920 4.640 -0.000 0.000 0.217 172 D C 1.339 177.651 176.300 0.021 0.000 1.081 172 D CA 0.203 54.255 54.000 0.088 0.000 0.842 172 D CB -0.208 40.714 40.800 0.203 0.000 0.934 172 D HN 0.384 nan 8.370 nan 0.000 0.511 173 G N 1.892 110.694 108.800 0.004 0.000 2.305 173 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.287 173 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.287 173 G C 0.797 175.662 174.900 -0.060 0.000 1.036 173 G CA -0.159 44.927 45.100 -0.022 0.000 0.887 173 G HN 0.214 nan 8.290 nan 0.000 0.505 174 R N -0.704 119.732 120.500 -0.107 0.000 2.568 174 R HA 0.166 4.506 4.340 -0.000 0.000 0.288 174 R C 1.950 178.159 176.300 -0.152 0.000 1.077 174 R CA 0.084 56.070 56.100 -0.190 0.000 1.102 174 R CB 0.171 30.208 30.300 -0.438 0.000 1.278 174 R HN 0.533 nan 8.270 nan 0.000 0.560 175 Q N 0.536 120.283 119.800 -0.088 0.000 2.197 175 Q HA -0.132 4.208 4.340 -0.000 0.000 0.207 175 Q C 2.014 177.975 176.000 -0.065 0.000 0.984 175 Q CA 2.207 57.971 55.803 -0.064 0.000 0.869 175 Q CB -0.196 28.518 28.738 -0.040 0.000 0.906 175 Q HN 0.366 nan 8.270 nan 0.000 0.426 176 A N -0.658 122.121 122.820 -0.068 0.000 1.968 176 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 176 A C 0.861 178.404 177.584 -0.068 0.000 1.169 176 A CA 0.756 52.758 52.037 -0.057 0.000 0.638 176 A CB 0.194 19.163 19.000 -0.050 0.000 0.812 176 A HN 0.288 nan 8.150 nan 0.000 0.446 177 L N 0.210 121.370 121.223 -0.105 0.000 2.475 177 L HA 0.409 4.749 4.340 -0.000 0.000 0.253 177 L C -2.922 173.835 176.870 -0.189 0.000 1.483 177 L CA -2.091 52.680 54.840 -0.115 0.000 0.869 177 L CB 1.484 43.477 42.059 -0.110 0.000 1.086 177 L HN -0.116 nan 8.230 nan 0.000 0.514 178 P HA 0.045 nan 4.420 nan 0.000 0.267 178 P C -0.965 176.255 177.300 -0.132 0.000 1.200 178 P CA 0.245 63.241 63.100 -0.172 0.000 0.772 178 P CB 0.173 31.833 31.700 -0.067 0.000 0.855 179 Y N 0.746 121.062 120.300 0.026 0.000 2.578 179 Y HA 0.114 4.664 4.550 -0.000 0.000 0.339 179 Y C 1.393 177.311 175.900 0.030 0.000 1.231 179 Y CA 0.822 58.946 58.100 0.041 0.000 1.461 179 Y CB 0.102 38.589 38.460 0.044 0.000 1.323 179 Y HN 0.332 nan 8.280 nan 0.000 0.590 180 Q N 1.715 121.640 119.800 0.208 0.000 2.416 180 Q HA 0.672 5.012 4.340 -0.000 0.000 0.279 180 Q C -1.712 174.330 176.000 0.069 0.000 1.101 180 Q CA -1.377 54.498 55.803 0.120 0.000 0.830 180 Q CB 2.829 31.658 28.738 0.151 0.000 1.402 180 Q HN 0.518 nan 8.270 nan 0.000 0.445 181 L N 0.756 121.995 121.223 0.026 0.000 2.409 181 L HA 0.655 4.995 4.340 -0.000 0.000 0.272 181 L C -1.091 175.782 176.870 0.005 0.000 0.980 181 L CA 0.103 54.935 54.840 -0.013 0.000 0.826 181 L CB 2.130 44.169 42.059 -0.035 0.000 1.268 181 L HN 0.838 nan 8.230 nan 0.000 0.407 182 T N 2.759 117.323 114.554 0.017 0.000 2.812 182 T HA 0.820 5.170 4.350 -0.000 0.000 0.294 182 T C -0.424 174.323 174.700 0.079 0.000 1.159 182 T CA -0.578 61.563 62.100 0.068 0.000 1.008 182 T CB 1.515 70.449 68.868 0.110 0.000 1.289 182 T HN 0.892 nan 8.240 nan 0.000 0.514 183 I N -1.906 118.740 120.570 0.127 0.000 2.969 183 I HA 0.891 5.061 4.170 -0.000 0.000 0.307 183 I C -0.901 175.333 176.117 0.195 0.000 1.149 183 I CA -1.863 59.540 61.300 0.172 0.000 1.008 183 I CB 1.944 40.067 38.000 0.205 0.000 1.232 183 I HN 0.947 nan 8.210 nan 0.000 0.435 184 A N 2.865 125.806 122.820 0.202 0.000 2.252 184 A HA 0.803 5.123 4.320 -0.000 0.000 0.309 184 A C 0.111 177.797 177.584 0.171 0.000 1.285 184 A CA -0.137 52.000 52.037 0.168 0.000 0.900 184 A CB 0.349 19.409 19.000 0.100 0.000 1.157 184 A HN 1.091 nan 8.150 nan 0.000 0.536 185 G N 0.760 109.676 108.800 0.193 0.000 2.471 185 G HA2 0.638 4.598 3.960 -0.000 0.000 0.332 185 G HA3 0.638 4.598 3.960 -0.000 0.000 0.332 185 G C 0.276 175.369 174.900 0.321 0.000 1.176 185 G CA -0.092 45.198 45.100 0.315 0.000 0.949 185 G HN 1.397 nan 8.290 nan 0.000 0.488 186 A N -0.778 122.280 122.820 0.398 0.000 2.520 186 A HA 0.487 4.807 4.320 -0.000 0.000 0.235 186 A C 1.351 178.986 177.584 0.085 0.000 1.065 186 A CA 0.689 52.789 52.037 0.104 0.000 0.764 186 A CB 0.326 19.172 19.000 -0.257 0.000 1.002 186 A HN 1.529 nan 8.150 nan 0.000 0.502 187 G N 0.871 109.676 108.800 0.008 0.000 3.453 187 G HA2 0.482 4.442 3.960 -0.000 0.000 0.263 187 G HA3 0.482 4.442 3.960 -0.000 0.000 0.263 187 G C 0.378 175.271 174.900 -0.011 0.000 1.060 187 G CA 0.607 45.689 45.100 -0.030 0.000 0.793 187 G HN 1.278 nan 8.290 nan 0.000 0.532 188 G N -1.447 107.350 108.800 -0.006 0.000 2.620 188 G HA2 0.539 4.499 3.960 -0.000 0.000 0.301 188 G HA3 0.539 4.499 3.960 -0.000 0.000 0.301 188 G C 0.725 175.549 174.900 -0.127 0.000 1.347 188 G CA 0.300 45.387 45.100 -0.021 0.000 0.971 188 G HN 0.316 nan 8.290 nan 0.000 0.488 189 A N 0.869 123.557 122.820 -0.221 0.000 1.978 189 A HA 0.057 4.377 4.320 -0.000 0.000 0.220 189 A C 1.865 179.136 177.584 -0.522 0.000 1.170 189 A CA 1.542 53.303 52.037 -0.459 0.000 0.636 189 A CB -0.546 18.126 19.000 -0.546 0.000 0.810 189 A HN 0.612 nan 8.150 nan 0.000 0.448 190 F N -1.505 118.307 119.950 -0.231 0.000 2.075 190 F HA -0.113 4.414 4.527 -0.000 0.000 0.297 190 F C 2.071 177.610 175.800 -0.435 0.000 1.113 190 F CA 1.424 59.219 58.000 -0.341 0.000 1.218 190 F CB -0.647 38.105 39.000 -0.412 0.000 0.984 190 F HN 0.204 nan 8.300 nan 0.000 0.472 191 F N -0.492 119.352 119.950 -0.177 0.000 2.259 191 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 191 F C 2.140 177.566 175.800 -0.623 0.000 1.088 191 F CA 0.510 58.239 58.000 -0.451 0.000 1.358 191 F CB -1.003 37.510 39.000 -0.812 0.000 1.040 191 F HN -0.100 nan 8.300 nan 0.000 0.505 192 L N 0.399 121.369 121.223 -0.422 0.000 2.131 192 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 192 L C 2.536 178.975 176.870 -0.717 0.000 1.092 192 L CA 2.007 56.436 54.840 -0.685 0.000 0.759 192 L CB -1.148 40.616 42.059 -0.491 0.000 0.903 192 L HN 0.184 nan 8.230 nan 0.000 0.435 193 S N -1.005 114.390 115.700 -0.510 0.000 2.465 193 S HA -0.219 4.251 4.470 -0.000 0.000 0.241 193 S C 2.038 176.459 174.600 -0.299 0.000 1.000 193 S CA 0.905 58.861 58.200 -0.406 0.000 0.964 193 S CB -0.674 62.314 63.200 -0.353 0.000 0.763 193 S HN 0.580 nan 8.310 nan 0.000 0.512 194 R N 0.223 120.537 120.500 -0.311 0.000 2.096 194 R HA -0.063 4.277 4.340 -0.000 0.000 0.235 194 R C 1.532 177.785 176.300 -0.078 0.000 1.127 194 R CA 1.810 57.815 56.100 -0.158 0.000 0.968 194 R CB -0.334 29.927 30.300 -0.066 0.000 0.861 194 R HN 0.907 nan 8.270 nan 0.000 0.440 195 Y N -5.115 115.134 120.300 -0.084 0.000 2.626 195 Y HA 0.234 4.784 4.550 -0.000 0.000 0.248 195 Y C 1.274 177.163 175.900 -0.018 0.000 1.147 195 Y CA -1.262 56.802 58.100 -0.059 0.000 1.219 195 Y CB -0.683 37.733 38.460 -0.074 0.000 1.279 195 Y HN -0.129 nan 8.280 nan 0.000 0.541 196 Y N 2.745 122.851 120.300 -0.323 0.000 2.193 196 Y HA -0.280 4.270 4.550 -0.000 0.000 0.285 196 Y C 2.612 178.430 175.900 -0.137 0.000 1.166 196 Y CA 2.116 60.052 58.100 -0.275 0.000 1.181 196 Y CB -0.444 37.776 38.460 -0.400 0.000 0.976 196 Y HN 0.366 nan 8.280 nan 0.000 0.520 197 S N -0.818 114.782 115.700 -0.167 0.000 2.442 197 S HA -0.143 4.327 4.470 -0.000 0.000 0.236 197 S C 1.379 175.892 174.600 -0.145 0.000 1.007 197 S CA 1.285 59.351 58.200 -0.224 0.000 0.965 197 S CB -0.344 62.767 63.200 -0.149 0.000 0.773 197 S HN 0.531 nan 8.310 nan 0.000 0.504 198 K N 0.449 120.819 120.400 -0.050 0.000 2.514 198 K HA 0.429 4.749 4.320 -0.000 0.000 0.207 198 K C 1.033 177.658 176.600 0.042 0.000 1.035 198 K CA -0.227 56.066 56.287 0.009 0.000 1.113 198 K CB 0.114 32.647 32.500 0.056 0.000 0.846 198 K HN 0.229 nan 8.250 nan 0.000 0.491 199 L N 0.875 122.095 121.223 -0.006 0.000 2.021 199 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 199 L C 2.387 179.289 176.870 0.053 0.000 1.074 199 L CA 1.837 56.707 54.840 0.051 0.000 0.760 199 L CB -0.406 41.606 42.059 -0.079 0.000 0.889 199 L HN 0.371 nan 8.230 nan 0.000 0.433 200 A N -0.826 122.001 122.820 0.012 0.000 1.908 200 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 200 A C 2.079 179.682 177.584 0.033 0.000 1.181 200 A CA 1.860 53.914 52.037 0.027 0.000 0.627 200 A CB -0.485 18.525 19.000 0.017 0.000 0.818 200 A HN 0.585 nan 8.150 nan 0.000 0.445 201 Q N -0.905 118.914 119.800 0.032 0.000 2.172 201 Q HA 0.030 4.370 4.340 -0.000 0.000 0.200 201 Q C 1.973 177.988 176.000 0.026 0.000 0.964 201 Q CA 1.122 56.942 55.803 0.028 0.000 0.855 201 Q CB -0.188 28.570 28.738 0.033 0.000 0.918 201 Q HN 0.735 nan 8.270 nan 0.000 0.444 202 I N -0.172 120.429 120.570 0.051 0.000 2.353 202 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 202 I C 1.925 178.060 176.117 0.030 0.000 1.119 202 I CA 0.748 62.075 61.300 0.045 0.000 1.417 202 I CB 0.115 38.180 38.000 0.108 0.000 1.078 202 I HN 0.023 nan 8.210 nan 0.000 0.421 203 V N 0.623 120.572 119.914 0.058 0.000 2.788 203 V HA -0.093 4.027 4.120 -0.000 0.000 0.251 203 V C 2.592 178.699 176.094 0.022 0.000 1.068 203 V CA 1.281 63.616 62.300 0.058 0.000 1.090 203 V CB -0.517 31.362 31.823 0.094 0.000 0.710 203 V HN 0.422 nan 8.190 nan 0.000 0.467 204 A N 1.649 124.477 122.820 0.013 0.000 1.892 204 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 204 A C 0.654 178.228 177.584 -0.017 0.000 1.188 204 A CA 2.322 54.359 52.037 -0.000 0.000 0.631 204 A CB -1.833 17.168 19.000 0.002 0.000 0.822 204 A HN 0.593 nan 8.150 nan 0.000 0.447 205 P HA 0.173 nan 4.420 nan 0.000 0.245 205 P C -0.142 177.132 177.300 -0.043 0.000 1.212 205 P CA 0.372 63.449 63.100 -0.038 0.000 0.774 205 P CB -0.108 31.561 31.700 -0.052 0.000 0.999 206 L N -0.290 120.910 121.223 -0.037 0.000 2.344 206 L HA 0.364 4.704 4.340 -0.000 0.000 0.272 206 L C 1.341 178.158 176.870 -0.089 0.000 1.035 206 L CA -0.759 54.057 54.840 -0.039 0.000 0.807 206 L CB 1.120 43.179 42.059 0.001 0.000 1.237 206 L HN -0.297 nan 8.230 nan 0.000 0.442 207 D N 0.213 120.529 120.400 -0.140 0.000 2.213 207 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 207 D C -0.580 175.354 176.300 -0.612 0.000 0.961 207 D CA 1.658 55.429 54.000 -0.380 0.000 0.853 207 D CB 0.429 41.009 40.800 -0.368 0.000 0.967 207 D HN 0.295 nan 8.370 nan 0.000 0.496 208 Y N -0.789 119.511 120.300 0.001 0.000 2.581 208 Y HA 0.405 4.955 4.550 -0.000 0.000 0.337 208 Y C -0.711 175.201 175.900 0.021 0.000 1.108 208 Y CA -0.972 57.127 58.100 -0.001 0.000 1.033 208 Y CB 1.952 40.386 38.460 -0.043 0.000 1.318 208 Y HN -0.295 nan 8.280 nan 0.000 0.459 209 I N 2.972 123.670 120.570 0.215 0.000 2.382 209 I HA 0.463 4.633 4.170 -0.000 0.000 0.286 209 I C -1.243 174.945 176.117 0.119 0.000 1.002 209 I CA -0.649 60.746 61.300 0.159 0.000 1.135 209 I CB 0.594 38.693 38.000 0.164 0.000 1.288 209 I HN 0.581 nan 8.210 nan 0.000 0.448 210 N N 8.815 127.589 118.700 0.124 0.000 2.469 210 N HA 0.315 5.055 4.740 -0.000 0.000 0.239 210 N C -0.759 174.789 175.510 0.064 0.000 1.053 210 N CA -0.172 52.937 53.050 0.100 0.000 0.937 210 N CB 1.173 39.771 38.487 0.186 0.000 1.163 210 N HN 0.568 nan 8.380 nan 0.000 0.509 211 L N 2.181 123.399 121.223 -0.008 0.000 2.361 211 L HA 0.255 4.595 4.340 -0.000 0.000 0.278 211 L C 1.078 177.864 176.870 -0.140 0.000 1.113 211 L CA -0.012 54.785 54.840 -0.072 0.000 0.849 211 L CB 0.332 42.297 42.059 -0.158 0.000 1.155 211 L HN 0.323 nan 8.230 nan 0.000 0.452 212 M N 3.456 122.925 119.600 -0.219 0.000 3.596 212 M HA 0.062 4.542 4.480 -0.000 0.000 0.219 212 M C 0.339 176.178 176.300 -0.768 0.000 1.471 212 M CA -0.152 54.746 55.300 -0.671 0.000 1.644 212 M CB -0.547 31.776 32.600 -0.462 0.000 1.083 212 M HN 0.550 nan 8.290 nan 0.000 0.579 213 T N 0.063 114.306 114.554 -0.519 0.000 4.313 213 T HA 0.309 4.659 4.350 -0.000 0.000 0.272 213 T C -0.537 174.095 174.700 -0.113 0.000 1.298 213 T CA -0.262 61.694 62.100 -0.240 0.000 1.124 213 T CB -1.046 67.766 68.868 -0.094 0.000 1.352 213 T HN 0.530 nan 8.240 nan 0.000 1.013 214 Y N -2.638 117.727 120.300 0.109 0.000 2.871 214 Y HA 0.515 5.065 4.550 -0.000 0.000 0.331 214 Y C -0.381 175.631 175.900 0.187 0.000 1.378 214 Y CA -1.911 56.266 58.100 0.128 0.000 1.079 214 Y CB -0.171 38.360 38.460 0.119 0.000 1.441 214 Y HN 0.141 nan 8.280 nan 0.000 0.446 215 D N 0.225 120.951 120.400 0.543 0.000 2.837 215 D HA -0.164 4.476 4.640 -0.000 0.000 0.230 215 D C 0.427 177.013 176.300 0.477 0.000 1.152 215 D CA 1.196 55.526 54.000 0.551 0.000 0.736 215 D CB -0.960 40.146 40.800 0.510 0.000 1.084 215 D HN 0.708 nan 8.370 nan 0.000 0.429 216 L N -1.495 119.912 121.223 0.307 0.000 2.591 216 L HA 0.323 4.663 4.340 -0.000 0.000 0.228 216 L C 1.128 178.095 176.870 0.162 0.000 1.133 216 L CA 0.586 55.536 54.840 0.184 0.000 0.880 216 L CB 0.051 42.153 42.059 0.071 0.000 1.033 216 L HN 0.203 nan 8.230 nan 0.000 0.450 217 A N -0.649 122.286 122.820 0.191 0.000 2.587 217 A HA 0.847 5.167 4.320 -0.000 0.000 0.293 217 A C -0.442 176.972 177.584 -0.283 0.000 1.087 217 A CA 0.047 52.100 52.037 0.027 0.000 0.692 217 A CB 1.736 20.804 19.000 0.114 0.000 1.291 217 A HN 0.085 nan 8.150 nan 0.000 0.407 218 G N -0.305 108.081 108.800 -0.690 0.000 2.328 218 G HA2 0.530 4.489 3.960 -0.000 0.000 0.295 218 G HA3 0.530 4.489 3.960 -0.000 0.000 0.295 218 G C -2.659 171.613 174.900 -1.046 0.000 1.413 218 G CA 0.114 44.409 45.100 -1.341 0.000 0.817 218 G HN 0.461 nan 8.290 nan 0.000 0.546 219 P HA -0.125 nan 4.420 nan 0.000 0.218 219 P C 1.471 178.847 177.300 0.127 0.000 1.146 219 P CA 1.974 64.928 63.100 -0.242 0.000 0.813 219 P CB -0.127 31.505 31.700 -0.112 0.000 0.778 220 W N 0.175 121.566 121.300 0.151 0.000 2.721 220 W HA 0.153 4.813 4.660 -0.000 0.000 0.245 220 W C 0.240 176.855 176.519 0.160 0.000 1.276 220 W CA -0.104 57.318 57.345 0.128 0.000 1.342 220 W CB -0.927 28.567 29.460 0.056 0.000 1.135 220 W HN -0.193 nan 8.180 nan 0.000 0.654 221 E N 1.209 121.414 120.200 0.008 0.000 2.202 221 E HA 0.145 4.495 4.350 -0.000 0.000 0.272 221 E C 0.693 177.430 176.600 0.228 0.000 0.951 221 E CA -0.545 55.926 56.400 0.118 0.000 0.813 221 E CB 1.679 31.409 29.700 0.051 0.000 1.151 221 E HN 0.138 nan 8.360 nan 0.000 0.398 222 K N 0.205 120.678 120.400 0.123 0.000 2.217 222 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 222 K C 0.902 177.539 176.600 0.061 0.000 1.051 222 K CA 0.522 56.834 56.287 0.041 0.000 0.952 222 K CB 0.341 32.825 32.500 -0.027 0.000 0.736 222 K HN 0.150 nan 8.250 nan 0.000 0.453 223 V N 2.454 122.398 119.914 0.050 0.000 2.459 223 V HA 0.139 4.259 4.120 -0.000 0.000 0.295 223 V C -0.166 175.838 176.094 -0.150 0.000 1.029 223 V CA -0.776 61.509 62.300 -0.026 0.000 0.874 223 V CB 1.412 33.188 31.823 -0.079 0.000 0.985 223 V HN 0.367 nan 8.190 nan 0.000 0.438 224 T N 3.956 118.269 114.554 -0.402 0.000 2.937 224 T HA 0.314 4.664 4.350 -0.000 0.000 0.316 224 T C -0.095 174.198 174.700 -0.679 0.000 1.079 224 T CA 0.002 61.486 62.100 -1.028 0.000 1.131 224 T CB 0.612 68.634 68.868 -1.409 0.000 1.000 224 T HN 0.973 nan 8.240 nan 0.000 0.549 225 N N -0.869 117.479 118.700 -0.587 0.000 3.046 225 N HA 0.170 4.910 4.740 -0.000 0.000 0.243 225 N C -1.800 173.637 175.510 -0.121 0.000 1.452 225 N CA -0.718 52.182 53.050 -0.249 0.000 0.882 225 N CB 1.005 39.508 38.487 0.027 0.000 1.425 225 N HN 0.708 nan 8.380 nan 0.000 0.517 226 H N 1.364 120.505 119.070 0.118 0.000 2.803 226 H HA 0.079 4.634 4.556 -0.000 0.000 0.330 226 H C 0.521 175.920 175.328 0.118 0.000 1.057 226 H CA 0.324 56.445 56.048 0.122 0.000 1.458 226 H CB 1.236 31.017 29.762 0.033 0.000 1.470 226 H HN 0.583 nan 8.280 nan 0.000 0.560 227 Q N 2.199 122.139 119.800 0.233 0.000 2.378 227 Q HA 0.128 4.468 4.340 -0.000 0.000 0.205 227 Q C 0.381 176.496 176.000 0.191 0.000 0.954 227 Q CA 1.014 56.944 55.803 0.212 0.000 0.901 227 Q CB 0.657 29.532 28.738 0.228 0.000 0.981 227 Q HN 0.502 nan 8.270 nan 0.000 0.483 228 A N 0.433 123.346 122.820 0.156 0.000 3.045 228 A HA 0.685 5.005 4.320 -0.000 0.000 0.244 228 A C -0.063 177.531 177.584 0.016 0.000 0.917 228 A CA -0.225 51.877 52.037 0.107 0.000 1.075 228 A CB 0.186 19.277 19.000 0.153 0.000 1.202 228 A HN 0.384 nan 8.150 nan 0.000 0.486 229 A N 0.032 122.858 122.820 0.010 0.000 2.540 229 A HA 0.366 4.686 4.320 -0.000 0.000 0.239 229 A C 1.192 178.673 177.584 -0.170 0.000 1.061 229 A CA 0.268 52.246 52.037 -0.099 0.000 0.758 229 A CB 0.062 19.043 19.000 -0.031 0.000 0.991 229 A HN 1.346 nan 8.150 nan 0.000 0.502 230 L N 2.885 123.928 121.223 -0.300 0.000 2.044 230 L HA 0.254 4.594 4.340 -0.000 0.000 0.205 230 L C 0.072 176.533 176.870 -0.682 0.000 1.075 230 L CA 1.741 56.242 54.840 -0.566 0.000 0.747 230 L CB -0.460 41.167 42.059 -0.721 0.000 0.903 230 L HN 0.597 nan 8.230 nan 0.000 0.435 231 F N -1.167 118.726 119.950 -0.095 0.000 2.618 231 F HA 0.660 5.186 4.527 -0.000 0.000 0.332 231 F C 0.919 176.698 175.800 -0.036 0.000 1.061 231 F CA -0.985 56.992 58.000 -0.039 0.000 0.974 231 F CB 0.470 39.458 39.000 -0.022 0.000 1.310 231 F HN -0.118 nan 8.300 nan 0.000 0.491 232 G N -0.235 108.700 108.800 0.225 0.000 2.507 232 G HA2 0.407 4.367 3.960 -0.000 0.000 0.271 232 G HA3 0.407 4.367 3.960 -0.000 0.000 0.271 232 G C -1.639 173.298 174.900 0.060 0.000 1.189 232 G CA -0.183 44.981 45.100 0.107 0.000 0.859 232 G HN 0.517 nan 8.290 nan 0.000 0.542 233 D N 0.457 120.866 120.400 0.016 0.000 2.408 233 D HA 0.457 5.097 4.640 -0.000 0.000 0.243 233 D C 1.103 177.355 176.300 -0.080 0.000 1.075 233 D CA -0.176 53.820 54.000 -0.007 0.000 0.832 233 D CB 1.655 42.485 40.800 0.050 0.000 1.162 233 D HN 0.305 nan 8.370 nan 0.000 0.515 234 A N 3.570 126.353 122.820 -0.062 0.000 2.024 234 A HA -0.053 4.267 4.320 -0.000 0.000 0.220 234 A C 1.936 179.428 177.584 -0.153 0.000 1.164 234 A CA 1.896 53.881 52.037 -0.087 0.000 0.643 234 A CB -0.433 18.536 19.000 -0.053 0.000 0.806 234 A HN 0.634 nan 8.150 nan 0.000 0.451 235 A N -0.573 122.148 122.820 -0.165 0.000 2.168 235 A HA 0.403 4.723 4.320 -0.000 0.000 0.215 235 A C 1.476 178.656 177.584 -0.673 0.000 1.152 235 A CA 0.997 52.893 52.037 -0.236 0.000 0.716 235 A CB -0.795 18.188 19.000 -0.029 0.000 0.794 235 A HN 0.697 nan 8.150 nan 0.000 0.465 236 G N -0.132 108.119 108.800 -0.916 0.000 0.000 236 G HA2 0.489 4.449 3.960 -0.000 0.000 0.000 236 G HA3 0.489 4.449 3.960 -0.000 0.000 0.000 236 G C -2.401 172.120 174.900 -0.631 0.000 0.000 236 G CA -1.253 43.008 45.100 -1.399 0.000 0.000 236 G HN 0.201 nan 8.290 nan 0.000 0.000 237 P HA 0.265 nan 4.420 nan 0.000 0.274 237 P C -0.255 176.857 177.300 -0.314 0.000 1.237 237 P CA -0.002 62.883 63.100 -0.358 0.000 0.793 237 P CB 1.217 32.715 31.700 -0.336 0.000 0.977 238 T N -1.797 112.505 114.554 -0.420 0.000 2.916 238 T HA 0.746 5.096 4.350 -0.000 0.000 0.292 238 T C -0.709 173.686 174.700 -0.508 0.000 1.064 238 T CA -0.537 61.397 62.100 -0.277 0.000 1.011 238 T CB 0.948 69.732 68.868 -0.140 0.000 1.152 238 T HN 0.177 nan 8.240 nan 0.000 0.510 239 F N -0.286 119.585 119.950 -0.131 0.000 2.603 239 F HA 0.524 5.051 4.527 -0.000 0.000 0.317 239 F C -0.434 175.527 175.800 0.268 0.000 1.066 239 F CA -1.568 56.477 58.000 0.075 0.000 0.941 239 F CB 1.301 40.354 39.000 0.088 0.000 1.291 239 F HN 0.731 nan 8.300 nan 0.000 0.472 240 Y N 2.307 122.898 120.300 0.486 0.000 2.526 240 Y HA 0.131 4.681 4.550 -0.000 0.000 0.330 240 Y C 0.437 176.508 175.900 0.284 0.000 1.156 240 Y CA -0.352 57.957 58.100 0.348 0.000 1.419 240 Y CB 0.253 38.913 38.460 0.334 0.000 1.250 240 Y HN 0.472 nan 8.280 nan 0.000 0.540 241 N N 5.481 124.163 118.700 -0.031 0.000 2.663 241 N HA 0.110 4.850 4.740 -0.000 0.000 0.250 241 N C 0.645 175.992 175.510 -0.272 0.000 1.129 241 N CA 0.611 53.539 53.050 -0.203 0.000 0.995 241 N CB 0.557 38.820 38.487 -0.373 0.000 1.324 241 N HN 0.904 nan 8.380 nan 0.000 0.512 242 A N 4.008 126.715 122.820 -0.189 0.000 2.084 242 A HA -0.149 4.171 4.320 -0.000 0.000 0.221 242 A C 2.111 179.452 177.584 -0.405 0.000 1.161 242 A CA 0.965 52.918 52.037 -0.140 0.000 0.653 242 A CB -0.328 18.503 19.000 -0.281 0.000 0.802 242 A HN 0.722 nan 8.150 nan 0.000 0.457 243 L N -0.431 120.349 121.223 -0.737 0.000 2.191 243 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 243 L C 2.670 178.776 176.870 -1.273 0.000 1.103 243 L CA 1.628 55.766 54.840 -1.170 0.000 0.769 243 L CB -0.585 40.437 42.059 -1.728 0.000 0.908 243 L HN 0.633 nan 8.230 nan 0.000 0.438 244 R N -0.144 119.819 120.500 -0.894 0.000 2.328 244 R HA -0.104 4.236 4.340 -0.000 0.000 0.207 244 R C 1.010 177.172 176.300 -0.230 0.000 1.056 244 R CA 0.886 56.741 56.100 -0.408 0.000 1.016 244 R CB -0.159 30.047 30.300 -0.156 0.000 0.872 244 R HN 0.299 nan 8.270 nan 0.000 0.471 245 E N 0.710 120.769 120.200 -0.236 0.000 2.498 245 E HA 0.224 4.574 4.350 -0.000 0.000 0.203 245 E C 0.090 176.590 176.600 -0.166 0.000 1.013 245 E CA 0.203 56.532 56.400 -0.119 0.000 0.927 245 E CB 1.075 30.759 29.700 -0.026 0.000 1.012 245 E HN 0.426 nan 8.360 nan 0.000 0.482 246 A N 1.801 124.459 122.820 -0.270 0.000 2.425 246 A HA 0.084 4.404 4.320 -0.000 0.000 0.242 246 A C 0.559 178.025 177.584 -0.196 0.000 1.077 246 A CA -0.306 51.591 52.037 -0.233 0.000 0.781 246 A CB 0.026 18.872 19.000 -0.256 0.000 1.020 246 A HN 0.009 nan 8.150 nan 0.000 0.494 247 N N 1.587 120.198 118.700 -0.149 0.000 2.971 247 N HA 0.172 4.912 4.740 -0.000 0.000 0.294 247 N C 0.295 175.700 175.510 -0.175 0.000 1.210 247 N CA 0.203 53.180 53.050 -0.121 0.000 1.157 247 N CB -0.609 37.835 38.487 -0.072 0.000 1.450 247 N HN 0.591 nan 8.380 nan 0.000 0.527 248 L N 0.387 121.441 121.223 -0.282 0.000 2.463 248 L HA 0.296 4.636 4.340 -0.000 0.000 0.219 248 L C 1.506 178.222 176.870 -0.256 0.000 1.088 248 L CA 0.282 54.829 54.840 -0.489 0.000 0.849 248 L CB -0.118 41.242 42.059 -1.165 0.000 1.012 248 L HN 0.552 nan 8.230 nan 0.000 0.468 249 G N -0.621 108.134 108.800 -0.074 0.000 2.179 249 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 249 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 249 G C -0.264 174.805 174.900 0.282 0.000 1.010 249 G CA -0.169 44.989 45.100 0.097 0.000 0.736 249 G HN 0.137 nan 8.290 nan 0.000 0.513 250 W N 0.776 122.122 121.300 0.076 0.000 2.415 250 W HA 0.737 5.397 4.660 -0.000 0.000 0.355 250 W C 1.101 177.677 176.519 0.094 0.000 1.161 250 W CA -0.975 56.415 57.345 0.075 0.000 1.315 250 W CB 0.602 30.102 29.460 0.067 0.000 1.261 250 W HN 0.521 nan 8.180 nan 0.000 0.636 251 S N -0.121 115.783 115.700 0.340 0.000 2.645 251 S HA 0.056 4.526 4.470 -0.000 0.000 0.266 251 S C 0.629 175.411 174.600 0.304 0.000 1.258 251 S CA -0.455 57.916 58.200 0.284 0.000 0.990 251 S CB 0.845 64.191 63.200 0.242 0.000 0.967 251 S HN 0.588 nan 8.310 nan 0.000 0.556 252 W N 1.323 122.708 121.300 0.143 0.000 2.318 252 W HA -0.131 4.529 4.660 -0.000 0.000 0.313 252 W C 2.176 178.761 176.519 0.110 0.000 1.221 252 W CA 2.003 59.421 57.345 0.122 0.000 1.266 252 W CB -0.220 29.297 29.460 0.095 0.000 1.150 252 W HN 0.817 nan 8.180 nan 0.000 0.496 253 E N 0.285 120.739 120.200 0.423 0.000 2.058 253 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 253 E C 1.881 178.482 176.600 0.001 0.000 0.997 253 E CA 2.079 58.617 56.400 0.230 0.000 0.801 253 E CB -0.659 29.183 29.700 0.237 0.000 0.746 253 E HN 0.570 nan 8.360 nan 0.000 0.450 254 E N 0.657 120.875 120.200 0.030 0.000 2.051 254 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 254 E C 2.432 179.043 176.600 0.019 0.000 0.991 254 E CA 0.776 57.141 56.400 -0.059 0.000 0.799 254 E CB -0.198 29.452 29.700 -0.083 0.000 0.748 254 E HN 0.180 nan 8.360 nan 0.000 0.449 255 L N 0.758 122.070 121.223 0.149 0.000 2.017 255 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 255 L C 2.638 179.455 176.870 -0.088 0.000 1.073 255 L CA 1.385 56.338 54.840 0.188 0.000 0.745 255 L CB -0.646 41.495 42.059 0.136 0.000 0.894 255 L HN 0.167 nan 8.230 nan 0.000 0.432 256 T N -0.361 113.966 114.554 -0.378 0.000 2.788 256 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 256 T C 1.846 176.360 174.700 -0.310 0.000 1.044 256 T CA 1.673 63.480 62.100 -0.488 0.000 1.139 256 T CB -0.260 68.049 68.868 -0.932 0.000 0.867 256 T HN 0.452 nan 8.240 nan 0.000 0.454 257 R N 1.417 121.757 120.500 -0.266 0.000 2.148 257 R HA 0.284 4.624 4.340 -0.000 0.000 0.223 257 R C 2.419 178.533 176.300 -0.310 0.000 1.088 257 R CA 1.143 57.099 56.100 -0.239 0.000 0.985 257 R CB -0.385 29.799 30.300 -0.194 0.000 0.880 257 R HN 0.308 nan 8.270 nan 0.000 0.451 258 A N 0.728 123.290 122.820 -0.429 0.000 2.021 258 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 258 A C 0.089 177.193 177.584 -0.799 0.000 1.163 258 A CA 0.244 51.869 52.037 -0.686 0.000 0.676 258 A CB 0.105 18.529 19.000 -0.960 0.000 0.818 258 A HN 0.310 nan 8.150 nan 0.000 0.453 259 F N 1.004 120.895 119.950 -0.100 0.000 2.564 259 F HA 0.339 4.866 4.527 -0.000 0.000 0.361 259 F C -2.591 173.049 175.800 -0.266 0.000 1.161 259 F CA -3.568 54.321 58.000 -0.185 0.000 1.198 259 F CB 0.762 39.635 39.000 -0.212 0.000 1.424 259 F HN -0.030 nan 8.300 nan 0.000 0.517 260 P HA 0.133 nan 4.420 nan 0.000 0.268 260 P C -0.278 176.979 177.300 -0.072 0.000 1.205 260 P CA 0.151 63.158 63.100 -0.155 0.000 0.771 260 P CB 1.963 33.539 31.700 -0.206 0.000 0.858 261 S N 2.326 117.990 115.700 -0.061 0.000 2.572 261 S HA 0.568 5.038 4.470 -0.000 0.000 0.274 261 S C -2.636 171.952 174.600 -0.019 0.000 1.150 261 S CA -1.137 57.045 58.200 -0.029 0.000 0.944 261 S CB 0.710 63.768 63.200 -0.236 0.000 1.071 261 S HN 0.309 nan 8.310 nan 0.000 0.479 262 P HA 0.547 nan 4.420 nan 0.000 0.274 262 P C -0.918 176.527 177.300 0.242 0.000 1.256 262 P CA -0.325 62.856 63.100 0.136 0.000 0.795 262 P CB 0.239 31.980 31.700 0.067 0.000 1.038 263 F N -2.523 117.475 119.950 0.079 0.000 2.692 263 F HA 0.626 5.153 4.527 -0.000 0.000 0.320 263 F C -0.881 175.033 175.800 0.191 0.000 1.123 263 F CA -1.344 56.722 58.000 0.110 0.000 0.961 263 F CB 0.575 39.667 39.000 0.153 0.000 1.383 263 F HN 0.100 nan 8.300 nan 0.000 0.483 264 S N 1.959 117.634 115.700 -0.042 0.000 2.452 264 S HA 0.419 4.889 4.470 -0.000 0.000 0.284 264 S C -0.593 173.823 174.600 -0.307 0.000 1.171 264 S CA -0.428 57.699 58.200 -0.122 0.000 1.064 264 S CB 0.873 64.101 63.200 0.046 0.000 0.967 264 S HN 0.644 nan 8.310 nan 0.000 0.484 265 L N 5.832 126.820 121.223 -0.391 0.000 2.454 265 L HA 0.287 4.627 4.340 -0.000 0.000 0.284 265 L C 0.545 177.356 176.870 -0.099 0.000 1.139 265 L CA 0.610 55.223 54.840 -0.377 0.000 0.911 265 L CB -0.918 40.784 42.059 -0.595 0.000 1.262 265 L HN 0.827 nan 8.230 nan 0.000 0.453 266 T N -0.209 114.344 114.554 -0.001 0.000 2.864 266 T HA 0.423 4.773 4.350 -0.000 0.000 0.289 266 T C 1.083 175.765 174.700 -0.029 0.000 1.082 266 T CA -0.527 61.571 62.100 -0.003 0.000 1.009 266 T CB 1.052 69.939 68.868 0.031 0.000 1.234 266 T HN -0.048 nan 8.240 nan 0.000 0.526 267 V N 0.860 120.710 119.914 -0.106 0.000 2.295 267 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 267 V C 2.548 178.537 176.094 -0.174 0.000 1.049 267 V CA 2.557 64.767 62.300 -0.150 0.000 1.024 267 V CB -1.015 30.665 31.823 -0.238 0.000 0.648 267 V HN 1.110 nan 8.190 nan 0.000 0.447 268 D N 0.378 120.627 120.400 -0.252 0.000 2.149 268 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 268 D C 2.063 178.421 176.300 0.098 0.000 0.990 268 D CA 1.565 55.511 54.000 -0.090 0.000 0.839 268 D CB -0.141 40.706 40.800 0.078 0.000 0.948 268 D HN 0.380 nan 8.370 nan 0.000 0.460 269 A N 0.457 123.322 122.820 0.074 0.000 1.902 269 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 269 A C 2.423 179.873 177.584 -0.223 0.000 1.181 269 A CA 2.187 54.169 52.037 -0.091 0.000 0.623 269 A CB -1.160 17.958 19.000 0.196 0.000 0.818 269 A HN 0.355 nan 8.150 nan 0.000 0.443 270 A N -0.645 122.142 122.820 -0.055 0.000 1.902 270 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 270 A C 2.242 179.902 177.584 0.126 0.000 1.181 270 A CA 1.759 53.804 52.037 0.013 0.000 0.623 270 A CB -0.910 18.099 19.000 0.015 0.000 0.818 270 A HN 0.372 nan 8.150 nan 0.000 0.443 271 V N 0.039 120.007 119.914 0.090 0.000 2.295 271 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 271 V C 2.753 178.966 176.094 0.198 0.000 1.049 271 V CA 2.043 64.439 62.300 0.160 0.000 1.024 271 V CB -0.737 31.254 31.823 0.280 0.000 0.648 271 V HN 0.534 nan 8.190 nan 0.000 0.447 272 Q N -0.259 119.633 119.800 0.154 0.000 2.124 272 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 272 Q C 2.243 178.297 176.000 0.090 0.000 0.977 272 Q CA 1.607 57.497 55.803 0.146 0.000 0.850 272 Q CB -0.443 28.421 28.738 0.209 0.000 0.901 272 Q HN 0.700 nan 8.270 nan 0.000 0.429 273 Q N -0.651 119.106 119.800 -0.072 0.000 2.124 273 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 273 Q C 1.806 177.923 176.000 0.195 0.000 0.977 273 Q CA 1.325 57.104 55.803 -0.039 0.000 0.850 273 Q CB -0.110 28.452 28.738 -0.293 0.000 0.901 273 Q HN 0.538 nan 8.270 nan 0.000 0.429 274 H N -0.245 118.914 119.070 0.148 0.000 2.363 274 H HA -0.007 4.549 4.556 -0.000 0.000 0.301 274 H C 1.744 177.168 175.328 0.161 0.000 1.074 274 H CA 1.042 57.208 56.048 0.197 0.000 1.354 274 H CB 0.027 29.879 29.762 0.150 0.000 1.397 274 H HN 0.111 nan 8.280 nan 0.000 0.516 275 L N -0.203 121.172 121.223 0.253 0.000 2.353 275 L HA -0.140 4.200 4.340 -0.000 0.000 0.220 275 L C 1.906 178.859 176.870 0.139 0.000 1.133 275 L CA 0.760 55.702 54.840 0.171 0.000 0.798 275 L CB -0.289 41.856 42.059 0.144 0.000 0.922 275 L HN 0.375 nan 8.230 nan 0.000 0.445 276 M N -1.297 118.405 119.600 0.170 0.000 2.476 276 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 276 M C 0.419 176.806 176.300 0.144 0.000 1.079 276 M CA 0.865 56.258 55.300 0.154 0.000 1.104 276 M CB 0.066 32.799 32.600 0.220 0.000 1.409 276 M HN 0.143 nan 8.290 nan 0.000 0.467 277 M N 0.710 120.387 119.600 0.128 0.000 2.233 277 M HA 0.197 4.677 4.480 -0.000 0.000 0.355 277 M C -0.071 176.259 176.300 0.050 0.000 1.191 277 M CA -0.383 54.956 55.300 0.066 0.000 1.101 277 M CB 0.786 33.342 32.600 -0.075 0.000 1.592 277 M HN -0.108 nan 8.290 nan 0.000 0.461 278 E N 1.049 121.274 120.200 0.042 0.000 2.384 278 E HA 0.373 4.723 4.350 -0.000 0.000 0.266 278 E C 0.980 177.601 176.600 0.034 0.000 1.012 278 E CA 1.396 57.815 56.400 0.030 0.000 0.901 278 E CB 0.362 30.076 29.700 0.023 0.000 0.967 278 E HN 0.839 nan 8.360 nan 0.000 0.435 279 G N 2.647 111.469 108.800 0.036 0.000 2.136 279 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 279 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 279 G C -0.249 174.679 174.900 0.047 0.000 0.989 279 G CA 0.144 45.266 45.100 0.036 0.000 0.682 279 G HN 0.514 nan 8.290 nan 0.000 0.522 280 V N 2.891 122.842 119.914 0.062 0.000 2.250 280 V HA 0.377 4.496 4.120 -0.000 0.000 0.268 280 V C -1.392 174.755 176.094 0.089 0.000 1.043 280 V CA -1.326 61.028 62.300 0.090 0.000 0.814 280 V CB 1.408 33.309 31.823 0.129 0.000 1.072 280 V HN 0.307 nan 8.190 nan 0.000 0.451 281 P HA 0.107 nan 4.420 nan 0.000 0.271 281 P C 1.127 178.472 177.300 0.076 0.000 1.216 281 P CA 0.128 63.264 63.100 0.061 0.000 0.771 281 P CB 1.419 33.143 31.700 0.040 0.000 0.864 282 S N 2.788 118.530 115.700 0.070 0.000 2.383 282 S HA -0.203 4.267 4.470 -0.000 0.000 0.229 282 S C 1.921 176.570 174.600 0.080 0.000 1.030 282 S CA 1.061 59.306 58.200 0.075 0.000 1.002 282 S CB -1.295 61.938 63.200 0.055 0.000 0.829 282 S HN 0.536 nan 8.310 nan 0.000 0.467 283 A N 1.509 124.371 122.820 0.071 0.000 2.125 283 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 283 A C 2.154 179.825 177.584 0.144 0.000 1.156 283 A CA 1.306 53.395 52.037 0.087 0.000 0.671 283 A CB -0.430 18.603 19.000 0.056 0.000 0.794 283 A HN 0.632 nan 8.150 nan 0.000 0.459 284 K N -0.938 119.537 120.400 0.125 0.000 2.361 284 K HA 0.284 4.604 4.320 -0.000 0.000 0.194 284 K C -0.316 176.421 176.600 0.228 0.000 1.032 284 K CA -0.046 56.340 56.287 0.165 0.000 1.048 284 K CB 0.265 32.806 32.500 0.070 0.000 0.842 284 K HN 0.444 nan 8.250 nan 0.000 0.526 285 I N 2.037 122.700 120.570 0.154 0.000 2.371 285 I HA 0.057 4.227 4.170 -0.000 0.000 0.290 285 I C -0.395 175.766 176.117 0.074 0.000 1.028 285 I CA -0.520 60.838 61.300 0.097 0.000 1.345 285 I CB 1.274 39.313 38.000 0.066 0.000 1.407 285 I HN -0.281 nan 8.210 nan 0.000 0.501 286 V N 7.456 127.389 119.914 0.032 0.000 2.495 286 V HA 0.327 4.447 4.120 -0.000 0.000 0.298 286 V C 0.082 176.183 176.094 0.011 0.000 1.031 286 V CA -0.696 61.592 62.300 -0.020 0.000 0.871 286 V CB 1.808 33.556 31.823 -0.124 0.000 0.988 286 V HN 0.693 nan 8.190 nan 0.000 0.432 287 M N 4.126 123.756 119.600 0.050 0.000 2.120 287 M HA 0.532 5.012 4.480 -0.000 0.000 0.354 287 M C 0.473 176.835 176.300 0.103 0.000 1.287 287 M CA -0.121 55.221 55.300 0.071 0.000 1.103 287 M CB 0.618 33.288 32.600 0.116 0.000 1.623 287 M HN 0.810 nan 8.290 nan 0.000 0.471 288 G N 4.100 112.963 108.800 0.106 0.000 2.420 288 G HA2 0.558 4.518 3.960 -0.000 0.000 0.284 288 G HA3 0.558 4.518 3.960 -0.000 0.000 0.284 288 G C -0.886 174.245 174.900 0.385 0.000 1.177 288 G CA -0.566 44.691 45.100 0.262 0.000 0.841 288 G HN 0.801 nan 8.290 nan 0.000 0.527 289 V N -0.453 119.742 119.914 0.469 0.000 2.876 289 V HA 0.870 4.990 4.120 -0.000 0.000 0.312 289 V C -2.682 173.644 176.094 0.387 0.000 1.085 289 V CA -2.703 59.859 62.300 0.437 0.000 0.945 289 V CB 2.586 34.534 31.823 0.208 0.000 1.017 289 V HN 0.656 nan 8.190 nan 0.000 0.428 290 P HA 0.461 nan 4.420 nan 0.000 0.292 290 P C -0.840 176.623 177.300 0.272 0.000 1.283 290 P CA -0.325 62.673 63.100 -0.170 0.000 0.835 290 P CB 1.558 32.771 31.700 -0.811 0.000 1.017 291 F N 2.115 122.078 119.950 0.021 0.000 2.668 291 F HA 0.245 4.772 4.527 -0.000 0.000 0.297 291 F C 0.333 176.214 175.800 0.134 0.000 1.124 291 F CA -0.479 57.558 58.000 0.061 0.000 1.353 291 F CB -0.595 38.413 39.000 0.013 0.000 0.992 291 F HN 0.245 nan 8.300 nan 0.000 0.524 292 Y N -2.656 117.790 120.300 0.243 0.000 2.615 292 Y HA 0.854 5.404 4.550 -0.000 0.000 0.341 292 Y C -0.170 175.830 175.900 0.167 0.000 1.089 292 Y CA -2.223 55.972 58.100 0.159 0.000 1.049 292 Y CB 0.851 39.386 38.460 0.124 0.000 1.296 292 Y HN -0.112 nan 8.280 nan 0.000 0.470 293 G N 1.145 110.083 108.800 0.230 0.000 2.511 293 G HA2 0.706 4.666 3.960 -0.000 0.000 0.318 293 G HA3 0.706 4.666 3.960 -0.000 0.000 0.318 293 G C -1.487 173.536 174.900 0.205 0.000 1.210 293 G CA -1.530 43.673 45.100 0.171 0.000 0.969 293 G HN 0.666 nan 8.290 nan 0.000 0.484 294 R N -0.283 120.317 120.500 0.167 0.000 2.514 294 R HA 0.644 4.984 4.340 -0.000 0.000 0.301 294 R C -0.486 175.855 176.300 0.068 0.000 0.962 294 R CA -0.511 55.648 56.100 0.097 0.000 0.882 294 R CB 2.141 32.495 30.300 0.091 0.000 1.143 294 R HN 0.618 nan 8.270 nan 0.000 0.452 295 A N 3.194 125.995 122.820 -0.033 0.000 2.350 295 A HA 0.789 5.109 4.320 -0.000 0.000 0.324 295 A C -1.218 176.435 177.584 0.116 0.000 1.118 295 A CA -0.497 51.627 52.037 0.145 0.000 0.783 295 A CB 0.738 19.809 19.000 0.118 0.000 1.236 295 A HN 0.550 nan 8.150 nan 0.000 0.457 296 F N 0.714 120.844 119.950 0.301 0.000 2.563 296 F HA 0.594 5.121 4.527 -0.000 0.000 0.316 296 F C 0.463 176.271 175.800 0.013 0.000 1.076 296 F CA -0.546 57.526 58.000 0.121 0.000 0.921 296 F CB 2.426 41.388 39.000 -0.063 0.000 1.209 296 F HN 0.713 nan 8.300 nan 0.000 0.462 297 K N -0.287 119.988 120.400 -0.208 0.000 2.352 297 K HA 0.800 5.120 4.320 -0.000 0.000 0.240 297 K C 0.404 176.913 176.600 -0.152 0.000 1.017 297 K CA -0.637 55.384 56.287 -0.443 0.000 0.851 297 K CB 1.921 33.596 32.500 -1.375 0.000 1.261 297 K HN 0.912 nan 8.250 nan 0.000 0.451 298 G N 0.031 108.755 108.800 -0.126 0.000 2.221 298 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.265 298 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.265 298 G C -0.142 174.780 174.900 0.037 0.000 1.041 298 G CA 0.270 45.342 45.100 -0.045 0.000 0.807 298 G HN 0.538 nan 8.290 nan 0.000 0.502 299 V N 0.456 120.420 119.914 0.085 0.000 2.904 299 V HA 0.808 4.928 4.120 -0.000 0.000 0.305 299 V C 0.929 177.086 176.094 0.105 0.000 1.067 299 V CA 0.434 62.795 62.300 0.102 0.000 1.044 299 V CB 1.746 33.662 31.823 0.155 0.000 1.050 299 V HN 1.275 nan 8.190 nan 0.000 0.475 300 S N 3.984 119.719 115.700 0.059 0.000 2.608 300 S HA 0.786 5.256 4.470 -0.000 0.000 0.291 300 S C 0.134 174.780 174.600 0.077 0.000 1.146 300 S CA -0.119 58.117 58.200 0.059 0.000 1.043 300 S CB 1.429 64.632 63.200 0.005 0.000 1.037 300 S HN 1.325 nan 8.310 nan 0.000 0.520 301 G N -0.654 108.213 108.800 0.112 0.000 2.588 301 G HA2 0.560 4.520 3.960 -0.000 0.000 0.281 301 G HA3 0.560 4.520 3.960 -0.000 0.000 0.281 301 G C 0.837 175.720 174.900 -0.028 0.000 1.236 301 G CA -0.345 44.812 45.100 0.096 0.000 0.969 301 G HN 1.891 nan 8.290 nan 0.000 0.504 302 G N -0.784 107.974 108.800 -0.069 0.000 2.697 302 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.200 302 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.200 302 G C 0.562 175.400 174.900 -0.103 0.000 1.106 302 G CA 0.418 45.479 45.100 -0.064 0.000 0.748 302 G HN 0.898 nan 8.290 nan 0.000 0.503 303 N N 0.566 119.153 118.700 -0.189 0.000 2.571 303 N HA 0.431 5.171 4.740 -0.000 0.000 0.298 303 N C 1.119 176.452 175.510 -0.295 0.000 1.671 303 N CA 0.599 53.531 53.050 -0.197 0.000 0.900 303 N CB 0.084 38.454 38.487 -0.195 0.000 1.365 303 N HN 1.333 nan 8.380 nan 0.000 0.493 304 G N 0.341 108.880 108.800 -0.435 0.000 2.258 304 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.274 304 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.274 304 G C 0.929 175.436 174.900 -0.656 0.000 1.021 304 G CA 0.434 45.133 45.100 -0.667 0.000 0.798 304 G HN 0.851 nan 8.290 nan 0.000 0.507 305 G N -2.017 106.376 108.800 -0.678 0.000 2.199 305 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 305 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 305 G C 0.393 174.786 174.900 -0.845 0.000 0.982 305 G CA 0.918 45.844 45.100 -0.291 0.000 0.632 305 G HN 1.206 nan 8.290 nan 0.000 0.529 306 Q N -0.670 118.543 119.800 -0.978 0.000 2.352 306 Q HA 0.469 4.809 4.340 -0.000 0.000 0.260 306 Q C 0.479 175.838 176.000 -1.069 0.000 0.976 306 Q CA -0.403 54.504 55.803 -1.494 0.000 0.881 306 Q CB 0.316 28.046 28.738 -1.680 0.000 1.235 306 Q HN 0.633 nan 8.270 nan 0.000 0.419 307 Y N -1.388 118.517 120.300 -0.658 0.000 3.589 307 Y HA -0.267 4.283 4.550 -0.000 0.000 0.218 307 Y C 0.073 175.774 175.900 -0.331 0.000 1.234 307 Y CA 0.733 58.583 58.100 -0.418 0.000 1.576 307 Y CB -2.334 35.949 38.460 -0.296 0.000 1.487 307 Y HN 0.501 nan 8.280 nan 0.000 0.616 308 S N -0.216 115.313 115.700 -0.285 0.000 2.664 308 S HA 0.806 5.276 4.470 -0.000 0.000 0.304 308 S C 0.432 174.969 174.600 -0.105 0.000 1.099 308 S CA -0.098 57.995 58.200 -0.179 0.000 1.003 308 S CB 1.241 64.327 63.200 -0.191 0.000 1.092 308 S HN 0.505 nan 8.310 nan 0.000 0.525 309 S N 1.411 117.073 115.700 -0.063 0.000 2.600 309 S HA 0.572 5.042 4.470 -0.000 0.000 0.265 309 S C -0.362 174.245 174.600 0.012 0.000 1.325 309 S CA -0.197 57.968 58.200 -0.057 0.000 1.002 309 S CB 0.117 63.269 63.200 -0.079 0.000 0.921 309 S HN 1.094 nan 8.310 nan 0.000 0.554 310 H N -2.562 116.487 119.070 -0.034 0.000 2.981 310 H HA 0.633 5.189 4.556 -0.000 0.000 0.327 310 H C -0.773 174.556 175.328 0.002 0.000 1.342 310 H CA -0.483 55.563 56.048 -0.003 0.000 1.123 310 H CB 0.787 30.593 29.762 0.073 0.000 1.851 310 H HN 0.545 nan 8.280 nan 0.000 0.531 311 S N 0.180 115.912 115.700 0.053 0.000 2.525 311 S HA 0.265 4.734 4.470 -0.000 0.000 0.242 311 S C -0.585 174.055 174.600 0.066 0.000 1.164 311 S CA -0.478 57.709 58.200 -0.021 0.000 1.154 311 S CB -0.745 62.415 63.200 -0.067 0.000 0.875 311 S HN 0.647 nan 8.310 nan 0.000 0.482 312 T N 4.607 119.376 114.554 0.358 0.000 2.780 312 T HA 0.421 4.771 4.350 -0.000 0.000 0.294 312 T C -2.628 172.243 174.700 0.284 0.000 0.949 312 T CA -1.090 61.178 62.100 0.281 0.000 1.074 312 T CB 0.795 69.818 68.868 0.258 0.000 0.910 312 T HN 0.218 nan 8.240 nan 0.000 0.501 313 P HA 0.223 nan 4.420 nan 0.000 0.268 313 P C 0.829 178.293 177.300 0.273 0.000 1.205 313 P CA -0.112 63.138 63.100 0.249 0.000 0.771 313 P CB 0.491 32.348 31.700 0.260 0.000 0.858 314 G N 1.466 110.401 108.800 0.226 0.000 3.020 314 G HA2 0.018 3.978 3.960 -0.000 0.000 0.217 314 G HA3 0.018 3.978 3.960 -0.000 0.000 0.217 314 G C 0.135 175.168 174.900 0.222 0.000 1.144 314 G CA 0.016 45.269 45.100 0.255 0.000 0.760 314 G HN 0.400 nan 8.290 nan 0.000 0.548 315 E N 1.065 121.372 120.200 0.179 0.000 2.398 315 E HA 0.404 4.754 4.350 -0.000 0.000 0.263 315 E C -1.005 175.693 176.600 0.164 0.000 1.046 315 E CA 0.262 56.748 56.400 0.143 0.000 0.908 315 E CB 0.929 30.686 29.700 0.094 0.000 0.963 315 E HN -0.008 nan 8.360 nan 0.000 0.431 316 D N 2.417 122.902 120.400 0.142 0.000 2.593 316 D HA 0.284 4.924 4.640 -0.000 0.000 0.251 316 D C -2.134 174.248 176.300 0.136 0.000 1.140 316 D CA -1.287 52.802 54.000 0.147 0.000 0.855 316 D CB 0.971 41.856 40.800 0.141 0.000 1.267 316 D HN 0.258 nan 8.370 nan 0.000 0.532 317 P HA 0.082 nan 4.420 nan 0.000 0.272 317 P C -0.397 177.008 177.300 0.176 0.000 1.240 317 P CA -0.470 62.716 63.100 0.142 0.000 0.791 317 P CB 0.542 32.313 31.700 0.117 0.000 0.978 318 Y N 3.013 123.365 120.300 0.086 0.000 2.802 318 Y HA 0.004 4.553 4.550 -0.000 0.000 0.333 318 Y C -1.365 174.603 175.900 0.113 0.000 1.244 318 Y CA -1.321 56.845 58.100 0.110 0.000 1.558 318 Y CB 0.282 38.813 38.460 0.120 0.000 1.233 318 Y HN 0.238 nan 8.280 nan 0.000 0.547 319 P HA 0.120 nan 4.420 nan 0.000 0.219 319 P C -0.968 176.037 177.300 -0.490 0.000 1.832 319 P CA 0.275 63.190 63.100 -0.308 0.000 1.014 319 P CB 0.335 31.940 31.700 -0.157 0.000 1.939 320 S N 0.754 116.161 115.700 -0.488 0.000 2.707 320 S HA 0.213 4.683 4.470 -0.000 0.000 0.268 320 S C -0.025 174.508 174.600 -0.112 0.000 1.004 320 S CA -0.168 57.830 58.200 -0.337 0.000 0.902 320 S CB -0.072 62.869 63.200 -0.431 0.000 1.157 320 S HN 0.198 nan 8.310 nan 0.000 0.468 321 T N -0.504 113.951 114.554 -0.165 0.000 3.200 321 T HA 0.332 4.681 4.350 -0.000 0.000 0.284 321 T C -0.319 173.883 174.700 -0.830 0.000 1.009 321 T CA 0.191 62.044 62.100 -0.411 0.000 0.907 321 T CB -0.174 68.583 68.868 -0.185 0.000 1.120 321 T HN 0.541 nan 8.240 nan 0.000 0.534 322 D N 1.742 121.917 120.400 -0.375 0.000 2.411 322 D HA 0.155 4.795 4.640 -0.000 0.000 0.225 322 D C -1.104 175.139 176.300 -0.094 0.000 1.156 322 D CA -0.657 53.243 54.000 -0.167 0.000 0.874 322 D CB 0.019 40.900 40.800 0.136 0.000 1.034 322 D HN 0.261 nan 8.370 nan 0.000 0.502 323 Y N 4.737 125.070 120.300 0.055 0.000 2.751 323 Y HA 0.174 4.723 4.550 -0.000 0.000 0.333 323 Y C 0.755 176.550 175.900 -0.174 0.000 1.122 323 Y CA -1.350 56.629 58.100 -0.201 0.000 1.367 323 Y CB -0.085 38.269 38.460 -0.176 0.000 1.242 323 Y HN 0.537 nan 8.280 nan 0.000 0.505 324 W N 1.220 122.573 121.300 0.089 0.000 3.180 324 W HA 0.191 4.851 4.660 -0.000 0.000 0.254 324 W C -0.553 175.957 176.519 -0.015 0.000 1.318 324 W CA -0.431 56.928 57.345 0.022 0.000 1.608 324 W CB -0.072 29.404 29.460 0.027 0.000 1.124 324 W HN 0.334 nan 8.180 nan 0.000 0.694 325 L N 3.139 124.204 121.223 -0.264 0.000 2.385 325 L HA 0.230 4.570 4.340 -0.000 0.000 0.285 325 L C 0.324 177.155 176.870 -0.065 0.000 1.125 325 L CA -0.592 54.170 54.840 -0.131 0.000 0.890 325 L CB 0.269 42.104 42.059 -0.374 0.000 1.251 325 L HN -0.221 nan 8.230 nan 0.000 0.445 326 V N 6.274 126.195 119.914 0.012 0.000 2.625 326 V HA 0.163 4.282 4.120 -0.000 0.000 0.305 326 V C 1.611 177.557 176.094 -0.248 0.000 1.055 326 V CA 1.321 63.561 62.300 -0.101 0.000 1.209 326 V CB -0.112 31.615 31.823 -0.160 0.000 0.877 326 V HN 1.081 nan 8.190 nan 0.000 0.489 327 G N 3.180 111.663 108.800 -0.530 0.000 2.234 327 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 327 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 327 G C 0.643 175.312 174.900 -0.385 0.000 0.987 327 G CA 0.121 44.698 45.100 -0.871 0.000 0.625 327 G HN 1.053 nan 8.290 nan 0.000 0.532 328 C N 2.380 121.518 119.300 -0.270 0.000 2.365 328 C HA 0.565 5.025 4.460 -0.000 0.000 0.412 328 C C 1.901 176.773 174.990 -0.196 0.000 1.023 328 C CA 0.298 59.179 59.018 -0.228 0.000 1.287 328 C CB -1.505 26.085 27.740 -0.251 0.000 1.675 328 C HN 0.564 nan 8.230 nan 0.000 0.520 329 E N 1.104 121.213 120.200 -0.152 0.000 2.110 329 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 329 E C 2.008 178.523 176.600 -0.141 0.000 0.988 329 E CA 1.303 57.633 56.400 -0.118 0.000 0.804 329 E CB 0.005 29.663 29.700 -0.070 0.000 0.745 329 E HN 0.884 nan 8.360 nan 0.000 0.458 330 E N 0.586 120.701 120.200 -0.141 0.000 2.153 330 E HA -0.204 4.145 4.350 -0.000 0.000 0.194 330 E C 1.846 178.322 176.600 -0.206 0.000 0.988 330 E CA 1.188 57.504 56.400 -0.140 0.000 0.811 330 E CB -0.031 29.601 29.700 -0.113 0.000 0.746 330 E HN 0.261 nan 8.360 nan 0.000 0.466 331 C N 0.042 119.180 119.300 -0.269 0.000 2.422 331 C HA -0.055 4.405 4.460 -0.000 0.000 0.279 331 C C 2.608 177.246 174.990 -0.586 0.000 1.305 331 C CA 0.354 59.136 59.018 -0.392 0.000 1.757 331 C CB -0.661 26.825 27.740 -0.423 0.000 1.962 331 C HN 0.349 nan 8.230 nan 0.000 0.499 332 V N 0.885 120.496 119.914 -0.504 0.000 2.379 332 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 332 V C 2.697 178.548 176.094 -0.405 0.000 1.044 332 V CA 1.868 63.803 62.300 -0.607 0.000 1.036 332 V CB -0.726 30.967 31.823 -0.216 0.000 0.664 332 V HN 0.509 nan 8.190 nan 0.000 0.453 333 R N 0.381 120.734 120.500 -0.245 0.000 2.081 333 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 333 R C 1.557 177.765 176.300 -0.153 0.000 1.131 333 R CA 2.064 58.074 56.100 -0.151 0.000 0.960 333 R CB -0.220 30.020 30.300 -0.100 0.000 0.856 333 R HN 0.483 nan 8.270 nan 0.000 0.436 334 D N 0.342 120.626 120.400 -0.192 0.000 2.339 334 D HA 0.021 4.661 4.640 -0.000 0.000 0.217 334 D C -0.196 175.995 176.300 -0.182 0.000 1.050 334 D CA 0.256 54.168 54.000 -0.147 0.000 0.856 334 D CB 0.328 41.060 40.800 -0.114 0.000 0.922 334 D HN 0.182 nan 8.370 nan 0.000 0.518 335 K N 1.141 121.332 120.400 -0.348 0.000 3.150 335 K HA -0.164 4.156 4.320 -0.000 0.000 0.267 335 K C -0.597 175.898 176.600 -0.176 0.000 1.028 335 K CA 0.514 56.590 56.287 -0.352 0.000 0.753 335 K CB -1.145 31.354 32.500 -0.001 0.000 1.288 335 K HN 0.082 nan 8.250 nan 0.000 0.473 336 D N -0.513 119.646 120.400 -0.401 0.000 2.591 336 D HA 0.106 4.746 4.640 -0.000 0.000 0.222 336 D C -2.421 173.511 176.300 -0.613 0.000 1.360 336 D CA -1.497 52.232 54.000 -0.452 0.000 0.967 336 D CB 1.587 42.252 40.800 -0.226 0.000 1.456 336 D HN -0.124 nan 8.370 nan 0.000 0.588 337 P HA 0.184 nan 4.420 nan 0.000 0.257 337 P C 0.570 177.344 177.300 -0.877 0.000 1.325 337 P CA -0.060 62.462 63.100 -0.963 0.000 0.850 337 P CB 0.344 31.173 31.700 -1.453 0.000 1.324 338 R N -0.646 119.521 120.500 -0.555 0.000 2.317 338 R HA 0.282 4.622 4.340 -0.000 0.000 0.208 338 R C 0.624 176.822 176.300 -0.171 0.000 0.914 338 R CA 0.237 56.176 56.100 -0.267 0.000 1.060 338 R CB 0.321 30.550 30.300 -0.118 0.000 1.015 338 R HN 0.173 nan 8.270 nan 0.000 0.498 339 I N -0.005 120.454 120.570 -0.185 0.000 2.802 339 I HA 0.535 4.705 4.170 -0.000 0.000 0.298 339 I C -1.071 174.983 176.117 -0.104 0.000 1.176 339 I CA -0.985 60.269 61.300 -0.077 0.000 1.025 339 I CB 2.143 40.105 38.000 -0.064 0.000 1.243 339 I HN -0.098 nan 8.210 nan 0.000 0.424 340 A N 3.294 126.098 122.820 -0.027 0.000 2.540 340 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 340 A C -0.288 177.310 177.584 0.023 0.000 1.056 340 A CA -0.470 51.527 52.037 -0.066 0.000 0.700 340 A CB 1.596 20.502 19.000 -0.157 0.000 1.280 340 A HN 0.771 nan 8.150 nan 0.000 0.398 341 S N 1.236 116.942 115.700 0.011 0.000 2.589 341 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 341 S C 0.897 175.512 174.600 0.024 0.000 1.342 341 S CA 0.386 58.626 58.200 0.066 0.000 1.005 341 S CB 0.162 63.371 63.200 0.015 0.000 0.909 341 S HN 1.336 nan 8.310 nan 0.000 0.555 342 Y N 1.881 122.161 120.300 -0.034 0.000 2.224 342 Y HA -0.129 4.421 4.550 -0.000 0.000 0.289 342 Y C 2.690 178.521 175.900 -0.115 0.000 1.146 342 Y CA 2.008 60.047 58.100 -0.102 0.000 1.182 342 Y CB -0.335 38.034 38.460 -0.151 0.000 0.983 342 Y HN 0.840 nan 8.280 nan 0.000 0.524 343 R N -0.002 120.441 120.500 -0.094 0.000 2.083 343 R HA -0.279 4.061 4.340 -0.000 0.000 0.237 343 R C 2.377 178.551 176.300 -0.210 0.000 1.137 343 R CA 2.115 58.133 56.100 -0.136 0.000 0.951 343 R CB -0.391 29.916 30.300 0.012 0.000 0.851 343 R HN 0.410 nan 8.270 nan 0.000 0.434 344 Q N 0.557 120.255 119.800 -0.170 0.000 2.079 344 Q HA -0.074 4.266 4.340 -0.000 0.000 0.200 344 Q C 2.069 177.908 176.000 -0.267 0.000 0.974 344 Q CA 1.631 57.326 55.803 -0.179 0.000 0.840 344 Q CB -0.239 28.410 28.738 -0.149 0.000 0.898 344 Q HN 0.475 nan 8.270 nan 0.000 0.430 345 L N 0.407 121.416 121.223 -0.358 0.000 2.042 345 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 345 L C 2.568 179.148 176.870 -0.483 0.000 1.076 345 L CA 1.978 56.527 54.840 -0.485 0.000 0.749 345 L CB -0.654 41.030 42.059 -0.625 0.000 0.893 345 L HN 0.467 nan 8.230 nan 0.000 0.432 346 E N 0.228 120.087 120.200 -0.569 0.000 2.058 346 E HA -0.291 4.059 4.350 -0.000 0.000 0.194 346 E C 2.151 178.603 176.600 -0.247 0.000 0.997 346 E CA 1.468 57.585 56.400 -0.471 0.000 0.801 346 E CB -0.015 29.329 29.700 -0.593 0.000 0.746 346 E HN 0.516 nan 8.360 nan 0.000 0.450 347 Q N -0.419 119.263 119.800 -0.197 0.000 2.224 347 Q HA -0.110 4.230 4.340 -0.000 0.000 0.203 347 Q C 2.088 178.100 176.000 0.020 0.000 0.970 347 Q CA 1.372 57.129 55.803 -0.078 0.000 0.865 347 Q CB 0.015 28.717 28.738 -0.060 0.000 0.922 347 Q HN 0.386 nan 8.270 nan 0.000 0.445 348 M N -0.399 119.177 119.600 -0.041 0.000 2.200 348 M HA -0.110 4.370 4.480 -0.000 0.000 0.265 348 M C 1.787 178.214 176.300 0.211 0.000 1.066 348 M CA 1.112 56.474 55.300 0.104 0.000 1.127 348 M CB 0.119 32.578 32.600 -0.235 0.000 1.379 348 M HN 0.209 nan 8.290 nan 0.000 0.420 349 L N 0.045 121.260 121.223 -0.013 0.000 2.093 349 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 349 L C 2.430 179.308 176.870 0.014 0.000 1.085 349 L CA 1.241 56.084 54.840 0.005 0.000 0.755 349 L CB -0.462 41.546 42.059 -0.085 0.000 0.904 349 L HN 0.444 nan 8.230 nan 0.000 0.435 350 Q N -0.996 118.795 119.800 -0.015 0.000 2.451 350 Q HA 0.024 4.364 4.340 -0.000 0.000 0.206 350 Q C 1.648 177.604 176.000 -0.073 0.000 0.947 350 Q CA 0.849 56.629 55.803 -0.038 0.000 0.937 350 Q CB -0.128 28.584 28.738 -0.043 0.000 1.025 350 Q HN 0.391 nan 8.270 nan 0.000 0.511 351 G N 1.506 110.256 108.800 -0.084 0.000 3.042 351 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.212 351 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.212 351 G C -0.247 174.255 174.900 -0.664 0.000 1.166 351 G CA -0.489 44.386 45.100 -0.375 0.000 0.767 351 G HN 0.510 nan 8.290 nan 0.000 0.546 352 N N -0.679 117.845 118.700 -0.293 0.000 2.650 352 N HA -0.227 4.513 4.740 -0.000 0.000 0.272 352 N C -0.293 175.053 175.510 -0.272 0.000 1.058 352 N CA 0.190 53.120 53.050 -0.200 0.000 0.765 352 N CB -0.726 37.661 38.487 -0.166 0.000 0.902 352 N HN 0.476 nan 8.380 nan 0.000 0.551 353 Y N -0.683 119.650 120.300 0.054 0.000 2.468 353 Y HA 0.295 4.845 4.550 -0.000 0.000 0.268 353 Y C 1.849 177.639 175.900 -0.183 0.000 1.177 353 Y CA 0.373 58.482 58.100 0.014 0.000 1.265 353 Y CB 0.701 39.241 38.460 0.134 0.000 1.103 353 Y HN 0.508 nan 8.280 nan 0.000 0.522 354 G N -1.350 107.374 108.800 -0.128 0.000 2.159 354 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.227 354 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.227 354 G C -0.295 174.304 174.900 -0.502 0.000 0.986 354 G CA -0.647 44.208 45.100 -0.409 0.000 0.651 354 G HN 0.236 nan 8.290 nan 0.000 0.523 355 Y N 1.199 121.431 120.300 -0.112 0.000 2.309 355 Y HA 0.542 5.092 4.550 -0.000 0.000 0.327 355 Y C 1.066 176.946 175.900 -0.034 0.000 1.172 355 Y CA 0.105 58.182 58.100 -0.038 0.000 1.280 355 Y CB 0.827 39.320 38.460 0.056 0.000 1.234 355 Y HN 0.247 nan 8.280 nan 0.000 0.512 356 Q N 2.797 122.698 119.800 0.168 0.000 2.331 356 Q HA 0.376 4.716 4.340 -0.000 0.000 0.267 356 Q C -0.649 175.407 176.000 0.093 0.000 1.006 356 Q CA -0.959 54.910 55.803 0.111 0.000 0.818 356 Q CB 2.197 31.008 28.738 0.122 0.000 1.276 356 Q HN 0.516 nan 8.270 nan 0.000 0.450 357 R N 3.983 124.517 120.500 0.058 0.000 2.216 357 R HA 0.369 4.709 4.340 -0.000 0.000 0.332 357 R C -1.047 175.227 176.300 -0.043 0.000 1.056 357 R CA -0.003 56.120 56.100 0.039 0.000 0.901 357 R CB 0.261 30.618 30.300 0.095 0.000 1.039 357 R HN 0.593 nan 8.270 nan 0.000 0.456 358 L N 3.543 124.605 121.223 -0.268 0.000 2.304 358 L HA 0.612 4.952 4.340 -0.000 0.000 0.268 358 L C -0.563 176.195 176.870 -0.187 0.000 1.010 358 L CA -1.063 53.560 54.840 -0.361 0.000 0.813 358 L CB 1.701 43.286 42.059 -0.789 0.000 1.315 358 L HN 0.619 nan 8.230 nan 0.000 0.445 359 W N 1.683 122.907 121.300 -0.128 0.000 2.998 359 W HA 0.319 4.979 4.660 -0.000 0.000 0.335 359 W C -1.584 175.050 176.519 0.192 0.000 1.110 359 W CA -0.556 56.816 57.345 0.046 0.000 1.230 359 W CB 1.989 31.448 29.460 -0.002 0.000 1.405 359 W HN 0.447 nan 8.180 nan 0.000 0.493 360 N N 2.831 121.295 118.700 -0.394 0.000 2.437 360 N HA 0.165 4.905 4.740 -0.000 0.000 0.259 360 N C 0.319 175.447 175.510 -0.636 0.000 0.983 360 N CA 0.859 53.721 53.050 -0.314 0.000 0.937 360 N CB 1.467 39.748 38.487 -0.345 0.000 1.122 360 N HN 0.644 nan 8.380 nan 0.000 0.499 361 D N 2.887 123.170 120.400 -0.194 0.000 2.349 361 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 361 D C 1.215 177.472 176.300 -0.072 0.000 1.029 361 D CA 0.632 54.612 54.000 -0.033 0.000 0.879 361 D CB 0.223 nan 40.800 nan 0.000 0.906 361 D HN 0.410 nan 8.370 nan 0.000 0.528 362 K N -0.005 120.327 120.400 -0.113 0.000 2.108 362 K HA -0.016 4.303 4.320 -0.000 0.000 0.204 362 K C 2.671 179.237 176.600 -0.057 0.000 1.036 362 K CA 1.737 57.998 56.287 -0.044 0.000 0.965 362 K CB -0.662 31.829 32.500 -0.016 0.000 0.804 362 K HN 0.501 nan 8.250 nan 0.000 0.454 363 T N -0.348 114.083 114.554 -0.204 0.000 3.055 363 T HA 0.007 4.357 4.350 -0.000 0.000 0.265 363 T C 0.460 174.912 174.700 -0.412 0.000 1.111 363 T CA 0.262 62.198 62.100 -0.272 0.000 1.118 363 T CB -0.054 68.555 68.868 -0.431 0.000 0.909 363 T HN 0.029 nan 8.240 nan 0.000 0.501 364 K N 2.110 122.158 120.400 -0.586 0.000 3.096 364 K HA -0.118 4.202 4.320 -0.000 0.000 0.266 364 K C 0.007 176.023 176.600 -0.973 0.000 1.043 364 K CA 1.263 57.085 56.287 -0.776 0.000 0.758 364 K CB -2.818 29.360 32.500 -0.537 0.000 1.260 364 K HN 0.902 nan 8.250 nan 0.000 0.481 365 T N -2.410 111.384 114.554 -1.267 0.000 2.903 365 T HA 0.728 5.078 4.350 -0.000 0.000 0.299 365 T C -2.886 171.328 174.700 -0.809 0.000 1.093 365 T CA -1.764 59.800 62.100 -0.893 0.000 1.002 365 T CB 3.797 72.360 68.868 -0.509 0.000 1.127 365 T HN -0.149 nan 8.240 nan 0.000 0.488 366 P HA 0.589 nan 4.420 nan 0.000 0.284 366 P C -1.692 175.623 177.300 0.025 0.000 1.287 366 P CA -0.561 62.485 63.100 -0.090 0.000 0.824 366 P CB 0.800 32.412 31.700 -0.146 0.000 1.180 367 Y N -2.600 117.752 120.300 0.087 0.000 2.604 367 Y HA 0.582 5.131 4.550 -0.000 0.000 0.331 367 Y C -1.794 174.249 175.900 0.239 0.000 1.158 367 Y CA -1.365 56.823 58.100 0.145 0.000 1.056 367 Y CB 0.343 38.806 38.460 0.005 0.000 1.330 367 Y HN 0.102 nan 8.280 nan 0.000 0.457 368 L N 2.759 124.094 121.223 0.186 0.000 2.344 368 L HA 0.548 4.888 4.340 -0.000 0.000 0.272 368 L C -1.357 175.721 176.870 0.346 0.000 1.035 368 L CA -1.143 53.788 54.840 0.152 0.000 0.807 368 L CB 1.818 43.879 42.059 0.003 0.000 1.237 368 L HN 0.779 nan 8.230 nan 0.000 0.442 369 Y N 1.886 122.335 120.300 0.248 0.000 2.354 369 Y HA 0.315 4.865 4.550 -0.000 0.000 0.330 369 Y C -0.832 175.242 175.900 0.289 0.000 1.011 369 Y CA -0.918 57.374 58.100 0.320 0.000 1.099 369 Y CB 1.019 39.648 38.460 0.282 0.000 1.179 369 Y HN 0.478 nan 8.280 nan 0.000 0.442 370 H N 6.278 125.181 119.070 -0.279 0.000 2.683 370 H HA 0.499 5.055 4.556 -0.000 0.000 0.270 370 H C 0.396 175.311 175.328 -0.688 0.000 1.201 370 H CA 0.540 56.337 56.048 -0.418 0.000 1.277 370 H CB 1.239 30.777 29.762 -0.372 0.000 1.400 370 H HN 0.967 nan 8.280 nan 0.000 0.504 371 A N 3.885 126.250 122.820 -0.759 0.000 1.892 371 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 371 A C 2.280 179.774 177.584 -0.150 0.000 1.188 371 A CA 1.958 53.669 52.037 -0.543 0.000 0.631 371 A CB -0.498 18.355 19.000 -0.245 0.000 0.822 371 A HN 0.803 nan 8.150 nan 0.000 0.447 372 Q N -0.591 119.176 119.800 -0.056 0.000 2.061 372 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 372 Q C 0.990 177.049 176.000 0.099 0.000 0.984 372 Q CA 2.120 57.963 55.803 0.066 0.000 0.846 372 Q CB -0.163 28.639 28.738 0.106 0.000 0.902 372 Q HN 0.649 nan 8.270 nan 0.000 0.421 373 N N -0.714 118.073 118.700 0.146 0.000 2.280 373 N HA 0.170 4.910 4.740 -0.000 0.000 0.192 373 N C -0.359 175.126 175.510 -0.043 0.000 1.109 373 N CA 0.797 53.804 53.050 -0.071 0.000 0.855 373 N CB 1.100 39.384 38.487 -0.339 0.000 0.974 373 N HN 0.409 nan 8.380 nan 0.000 0.482 374 G N 0.991 109.792 108.800 0.002 0.000 2.351 374 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.297 374 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.297 374 G C -0.552 174.406 174.900 0.098 0.000 1.054 374 G CA 0.083 45.216 45.100 0.055 0.000 1.123 374 G HN 0.244 nan 8.290 nan 0.000 0.512 375 L N -0.558 120.749 121.223 0.141 0.000 2.354 375 L HA 0.887 5.227 4.340 -0.000 0.000 0.269 375 L C -0.221 176.943 176.870 0.490 0.000 1.005 375 L CA -1.321 53.690 54.840 0.285 0.000 0.819 375 L CB 2.106 44.336 42.059 0.284 0.000 1.311 375 L HN 0.213 nan 8.230 nan 0.000 0.423 376 F N 2.234 122.396 119.950 0.352 0.000 2.569 376 F HA 0.732 5.259 4.527 -0.000 0.000 0.312 376 F C -1.355 174.670 175.800 0.375 0.000 1.109 376 F CA -0.625 57.586 58.000 0.351 0.000 0.919 376 F CB 1.803 40.887 39.000 0.140 0.000 1.211 376 F HN 0.036 nan 8.300 nan 0.000 0.446 377 V N 4.460 124.100 119.914 -0.456 0.000 2.525 377 V HA 0.422 4.542 4.120 -0.000 0.000 0.299 377 V C -0.456 175.369 176.094 -0.448 0.000 1.034 377 V CA -0.671 61.462 62.300 -0.278 0.000 0.863 377 V CB 1.774 33.514 31.823 -0.138 0.000 0.999 377 V HN 0.864 nan 8.190 nan 0.000 0.423 378 T N 5.390 119.820 114.554 -0.206 0.000 2.795 378 T HA 0.774 5.124 4.350 -0.000 0.000 0.282 378 T C -0.915 173.928 174.700 0.239 0.000 0.980 378 T CA -0.148 61.961 62.100 0.014 0.000 1.012 378 T CB 0.616 69.570 68.868 0.142 0.000 0.936 378 T HN 0.847 nan 8.240 nan 0.000 0.457 379 Y N 1.321 121.633 120.300 0.020 0.000 2.788 379 Y HA 0.773 5.323 4.550 -0.000 0.000 0.335 379 Y C -1.668 174.233 175.900 0.001 0.000 1.287 379 Y CA -1.613 56.485 58.100 -0.004 0.000 1.068 379 Y CB 0.384 38.840 38.460 -0.006 0.000 1.340 379 Y HN 0.503 nan 8.280 nan 0.000 0.449 380 D N 0.483 120.789 120.400 -0.157 0.000 2.350 380 D HA 0.548 5.188 4.640 -0.000 0.000 0.238 380 D C -1.336 174.661 176.300 -0.506 0.000 0.989 380 D CA -0.023 53.771 54.000 -0.343 0.000 0.921 380 D CB 1.806 42.554 40.800 -0.086 0.000 1.297 380 D HN 0.737 nan 8.370 nan 0.000 0.490 381 D N -1.027 118.928 120.400 -0.742 0.000 2.759 381 D HA 0.362 5.002 4.640 -0.000 0.000 0.321 381 D C 0.272 176.023 176.300 -0.915 0.000 1.267 381 D CA -0.745 52.788 54.000 -0.778 0.000 0.933 381 D CB 0.413 41.128 40.800 -0.142 0.000 1.431 381 D HN 0.289 nan 8.370 nan 0.000 0.504 382 A N -0.386 122.103 122.820 -0.551 0.000 2.024 382 A HA -0.184 4.136 4.320 -0.000 0.000 0.220 382 A C 1.855 179.453 177.584 0.024 0.000 1.164 382 A CA 2.088 53.998 52.037 -0.212 0.000 0.643 382 A CB -0.860 18.083 19.000 -0.094 0.000 0.806 382 A HN 0.653 nan 8.150 nan 0.000 0.451 383 E N 0.137 120.323 120.200 -0.023 0.000 2.051 383 E HA -0.133 4.217 4.350 -0.000 0.000 0.189 383 E C 2.274 179.063 176.600 0.316 0.000 0.979 383 E CA 1.192 57.623 56.400 0.051 0.000 0.803 383 E CB -0.061 29.553 29.700 -0.142 0.000 0.761 383 E HN 0.741 nan 8.360 nan 0.000 0.451 384 S N 0.162 116.088 115.700 0.377 0.000 2.419 384 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 384 S C 1.761 176.639 174.600 0.463 0.000 1.016 384 S CA 0.631 59.104 58.200 0.454 0.000 0.974 384 S CB -0.472 62.807 63.200 0.131 0.000 0.786 384 S HN 0.192 nan 8.310 nan 0.000 0.492 385 F N 2.495 122.543 119.950 0.163 0.000 2.293 385 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 385 F C 2.256 178.080 175.800 0.039 0.000 1.086 385 F CA 0.020 58.110 58.000 0.150 0.000 1.375 385 F CB -0.755 38.354 39.000 0.181 0.000 1.045 385 F HN 0.283 nan 8.300 nan 0.000 0.516 386 K N -0.662 119.715 120.400 -0.038 0.000 2.026 386 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 386 K C 2.002 178.415 176.600 -0.312 0.000 1.048 386 K CA 1.819 57.742 56.287 -0.608 0.000 0.929 386 K CB -0.572 31.496 32.500 -0.720 0.000 0.713 386 K HN 0.230 nan 8.250 nan 0.000 0.439 387 Y N 1.413 121.756 120.300 0.071 0.000 2.200 387 Y HA -0.131 4.419 4.550 -0.000 0.000 0.290 387 Y C 2.183 178.167 175.900 0.140 0.000 1.137 387 Y CA 1.168 59.347 58.100 0.133 0.000 1.163 387 Y CB -0.134 38.424 38.460 0.165 0.000 0.988 387 Y HN -0.032 nan 8.280 nan 0.000 0.518 388 K N -0.177 120.380 120.400 0.261 0.000 2.148 388 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 388 K C 2.334 179.076 176.600 0.238 0.000 1.050 388 K CA 0.971 57.376 56.287 0.196 0.000 0.942 388 K CB -0.273 32.320 32.500 0.155 0.000 0.724 388 K HN 0.281 nan 8.250 nan 0.000 0.446 389 A N 1.765 124.675 122.820 0.150 0.000 1.929 389 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 389 A C 2.042 179.773 177.584 0.245 0.000 1.176 389 A CA 1.387 53.492 52.037 0.114 0.000 0.628 389 A CB -0.258 18.605 19.000 -0.228 0.000 0.816 389 A HN 0.190 nan 8.150 nan 0.000 0.444 390 K N -1.703 118.800 120.400 0.172 0.000 2.097 390 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 390 K C 1.875 178.630 176.600 0.258 0.000 1.050 390 K CA 1.607 58.011 56.287 0.194 0.000 0.938 390 K CB -0.392 32.185 32.500 0.129 0.000 0.718 390 K HN 0.502 nan 8.250 nan 0.000 0.442 391 Y N 1.285 121.693 120.300 0.181 0.000 2.165 391 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 391 Y C 1.751 177.754 175.900 0.172 0.000 1.155 391 Y CA 1.756 59.965 58.100 0.182 0.000 1.164 391 Y CB -0.058 38.482 38.460 0.134 0.000 0.978 391 Y HN 0.025 nan 8.280 nan 0.000 0.513 392 I N 0.115 120.899 120.570 0.357 0.000 2.208 392 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 392 I C 2.284 178.498 176.117 0.163 0.000 1.097 392 I CA 1.693 63.155 61.300 0.271 0.000 1.363 392 I CB -0.349 37.887 38.000 0.393 0.000 1.051 392 I HN 0.226 nan 8.210 nan 0.000 0.413 393 K N 0.274 120.804 120.400 0.217 0.000 2.031 393 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 393 K C 2.156 178.797 176.600 0.069 0.000 1.049 393 K CA 1.206 57.586 56.287 0.155 0.000 0.939 393 K CB -0.181 32.448 32.500 0.215 0.000 0.717 393 K HN 0.379 nan 8.250 nan 0.000 0.438 394 Q N 0.523 120.348 119.800 0.043 0.000 2.096 394 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 394 Q C 1.793 177.750 176.000 -0.072 0.000 0.982 394 Q CA 1.081 56.877 55.803 -0.011 0.000 0.850 394 Q CB 0.066 28.794 28.738 -0.017 0.000 0.901 394 Q HN 0.254 nan 8.270 nan 0.000 0.422 395 Q N 0.229 119.931 119.800 -0.162 0.000 2.444 395 Q HA -0.008 4.332 4.340 -0.000 0.000 0.206 395 Q C -0.222 175.749 176.000 -0.049 0.000 0.948 395 Q CA 0.268 55.975 55.803 -0.161 0.000 0.946 395 Q CB 0.436 28.976 28.738 -0.330 0.000 1.027 395 Q HN 0.415 nan 8.270 nan 0.000 0.513 396 Q N 0.427 120.218 119.800 -0.016 0.000 2.453 396 Q HA -0.192 4.147 4.340 -0.000 0.000 0.294 396 Q C -0.542 175.472 176.000 0.024 0.000 1.295 396 Q CA 0.291 56.101 55.803 0.011 0.000 0.853 396 Q CB -2.016 26.731 28.738 0.014 0.000 1.193 396 Q HN 0.380 nan 8.270 nan 0.000 0.461 397 L N -1.515 119.726 121.223 0.030 0.000 2.475 397 L HA 0.231 4.571 4.340 -0.000 0.000 0.253 397 L C 1.886 178.775 176.870 0.031 0.000 1.198 397 L CA 0.494 55.364 54.840 0.050 0.000 0.814 397 L CB 0.157 42.264 42.059 0.080 0.000 1.134 397 L HN 0.322 nan 8.230 nan 0.000 0.478 398 G N -0.366 108.471 108.800 0.061 0.000 2.422 398 G HA2 0.300 4.260 3.960 -0.000 0.000 0.218 398 G HA3 0.300 4.260 3.960 -0.000 0.000 0.218 398 G C 0.588 175.428 174.900 -0.101 0.000 1.140 398 G CA 0.798 45.944 45.100 0.077 0.000 0.775 398 G HN 0.959 nan 8.290 nan 0.000 0.545 399 G N -2.102 106.615 108.800 -0.139 0.000 2.398 399 G HA2 0.362 4.322 3.960 -0.000 0.000 0.251 399 G HA3 0.362 4.322 3.960 -0.000 0.000 0.251 399 G C -1.672 173.196 174.900 -0.054 0.000 1.277 399 G CA 0.117 45.080 45.100 -0.228 0.000 0.927 399 G HN 0.775 nan 8.290 nan 0.000 0.477 400 V N 1.309 121.234 119.914 0.019 0.000 2.864 400 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 400 V C -0.481 175.652 176.094 0.065 0.000 1.073 400 V CA -0.673 61.704 62.300 0.128 0.000 0.956 400 V CB 1.781 33.770 31.823 0.277 0.000 1.023 400 V HN 1.188 nan 8.190 nan 0.000 0.435 401 M N 6.368 126.031 119.600 0.105 0.000 2.550 401 M HA 0.659 5.139 4.480 -0.000 0.000 0.292 401 M C -2.152 174.274 176.300 0.210 0.000 1.221 401 M CA -0.560 54.781 55.300 0.067 0.000 0.873 401 M CB 2.019 34.689 32.600 0.118 0.000 1.727 401 M HN 0.727 nan 8.290 nan 0.000 0.459 402 F N 1.610 121.624 119.950 0.106 0.000 2.601 402 F HA 0.786 5.313 4.527 -0.000 0.000 0.309 402 F C -2.062 173.763 175.800 0.042 0.000 1.089 402 F CA -1.100 56.880 58.000 -0.034 0.000 0.940 402 F CB 1.247 39.914 39.000 -0.556 0.000 1.273 402 F HN 0.687 nan 8.300 nan 0.000 0.450 403 W N 5.439 126.788 121.300 0.082 0.000 2.424 403 W HA 0.541 5.200 4.660 -0.000 0.000 0.318 403 W C -1.933 174.702 176.519 0.194 0.000 1.016 403 W CA -0.681 56.722 57.345 0.097 0.000 1.268 403 W CB 1.418 30.872 29.460 -0.011 0.000 1.297 403 W HN 1.021 nan 8.180 nan 0.000 0.428 404 H N 2.488 121.339 119.070 -0.365 0.000 2.980 404 H HA 0.328 4.884 4.556 -0.000 0.000 0.367 404 H C 0.532 175.707 175.328 -0.256 0.000 1.206 404 H CA -0.962 54.719 56.048 -0.611 0.000 1.126 404 H CB 1.374 30.238 29.762 -1.496 0.000 1.838 404 H HN 0.281 nan 8.280 nan 0.000 0.552 405 L N 0.971 122.201 121.223 0.011 0.000 2.034 405 L HA -0.186 4.154 4.340 -0.000 0.000 0.217 405 L C 2.326 178.898 176.870 -0.497 0.000 1.077 405 L CA 2.098 56.991 54.840 0.087 0.000 0.769 405 L CB -0.665 41.560 42.059 0.277 0.000 0.890 405 L HN 1.083 nan 8.230 nan 0.000 0.435 406 G N -1.489 106.966 108.800 -0.575 0.000 2.586 406 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 406 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 406 G C 1.262 175.716 174.900 -0.743 0.000 1.128 406 G CA 0.278 44.802 45.100 -0.960 0.000 0.774 406 G HN 0.530 nan 8.290 nan 0.000 0.543 407 Q N -0.513 118.900 119.800 -0.643 0.000 2.282 407 Q HA 0.118 4.458 4.340 -0.000 0.000 0.206 407 Q C 0.224 176.234 176.000 0.016 0.000 0.878 407 Q CA -0.505 55.153 55.803 -0.242 0.000 0.944 407 Q CB 0.621 29.244 28.738 -0.193 0.000 1.100 407 Q HN 0.286 nan 8.270 nan 0.000 0.509 408 D N 1.800 122.226 120.400 0.043 0.000 2.363 408 D HA -0.025 4.615 4.640 -0.000 0.000 0.240 408 D C -0.092 176.328 176.300 0.200 0.000 1.236 408 D CA -0.078 53.986 54.000 0.106 0.000 0.927 408 D CB 0.667 41.556 40.800 0.148 0.000 1.150 408 D HN 0.088 nan 8.370 nan 0.000 0.458 409 N N 0.589 119.417 118.700 0.214 0.000 2.379 409 N HA 0.078 4.818 4.740 -0.000 0.000 0.260 409 N C 0.787 176.427 175.510 0.216 0.000 1.254 409 N CA -0.270 52.891 53.050 0.185 0.000 0.958 409 N CB 0.392 38.954 38.487 0.125 0.000 1.208 409 N HN 0.182 nan 8.380 nan 0.000 0.532 410 R N -0.093 120.494 120.500 0.145 0.000 2.127 410 R HA -0.056 4.284 4.340 -0.000 0.000 0.238 410 R C 0.733 177.080 176.300 0.077 0.000 1.134 410 R CA 0.914 57.071 56.100 0.095 0.000 0.975 410 R CB -1.067 29.250 30.300 0.028 0.000 0.865 410 R HN 0.638 nan 8.270 nan 0.000 0.447 411 N N 0.137 118.878 118.700 0.070 0.000 2.515 411 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 411 N C 0.560 176.105 175.510 0.059 0.000 1.109 411 N CA 0.976 54.054 53.050 0.048 0.000 0.903 411 N CB 0.215 38.720 38.487 0.030 0.000 0.969 411 N HN 0.390 nan 8.380 nan 0.000 0.450 412 G N 1.546 110.407 108.800 0.102 0.000 2.273 412 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.280 412 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.280 412 G C 0.530 175.430 174.900 -0.000 0.000 1.047 412 G CA 0.539 45.697 45.100 0.096 0.000 0.869 412 G HN 0.247 nan 8.290 nan 0.000 0.502 413 D N -0.157 120.226 120.400 -0.029 0.000 2.144 413 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 413 D C 2.726 178.891 176.300 -0.225 0.000 0.984 413 D CA 1.120 55.063 54.000 -0.096 0.000 0.834 413 D CB -0.049 40.726 40.800 -0.042 0.000 0.955 413 D HN 0.554 nan 8.370 nan 0.000 0.465 414 L N 0.016 121.005 121.223 -0.390 0.000 2.027 414 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 414 L C 2.430 179.142 176.870 -0.263 0.000 1.074 414 L CA 0.473 54.984 54.840 -0.549 0.000 0.745 414 L CB -0.427 40.821 42.059 -1.351 0.000 0.898 414 L HN 0.085 nan 8.230 nan 0.000 0.433 415 L N 0.568 121.689 121.223 -0.169 0.000 2.046 415 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 415 L C 2.652 179.486 176.870 -0.061 0.000 1.077 415 L CA 2.006 56.827 54.840 -0.032 0.000 0.747 415 L CB -0.765 41.351 42.059 0.096 0.000 0.896 415 L HN 0.137 nan 8.230 nan 0.000 0.432 416 A N -0.324 122.442 122.820 -0.090 0.000 1.908 416 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 416 A C 2.471 179.889 177.584 -0.277 0.000 1.181 416 A CA 2.066 54.027 52.037 -0.126 0.000 0.627 416 A CB -1.250 17.690 19.000 -0.101 0.000 0.818 416 A HN 0.616 nan 8.150 nan 0.000 0.445 417 A N -0.288 122.317 122.820 -0.359 0.000 1.877 417 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 417 A C 2.191 179.145 177.584 -1.049 0.000 1.186 417 A CA 1.498 53.093 52.037 -0.737 0.000 0.620 417 A CB -0.618 18.111 19.000 -0.452 0.000 0.822 417 A HN 0.480 nan 8.150 nan 0.000 0.443 418 L N -0.621 120.304 121.223 -0.496 0.000 2.017 418 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 418 L C 2.477 179.134 176.870 -0.356 0.000 1.073 418 L CA 2.003 56.597 54.840 -0.409 0.000 0.745 418 L CB -0.684 41.295 42.059 -0.134 0.000 0.894 418 L HN 0.530 nan 8.230 nan 0.000 0.432 419 D N -0.028 120.272 120.400 -0.167 0.000 2.117 419 D HA -0.244 4.396 4.640 -0.000 0.000 0.197 419 D C 2.297 178.524 176.300 -0.121 0.000 0.987 419 D CA 1.193 55.177 54.000 -0.027 0.000 0.829 419 D CB 0.051 40.856 40.800 0.008 0.000 0.961 419 D HN 0.067 nan 8.370 nan 0.000 0.460 420 R N -1.129 119.175 120.500 -0.326 0.000 2.083 420 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 420 R C 1.955 178.059 176.300 -0.325 0.000 1.137 420 R CA 1.475 57.372 56.100 -0.338 0.000 0.951 420 R CB -0.496 29.495 30.300 -0.515 0.000 0.851 420 R HN 0.266 nan 8.270 nan 0.000 0.434 421 Y N -0.501 119.469 120.300 -0.551 0.000 2.333 421 Y HA -0.146 4.404 4.550 -0.000 0.000 0.290 421 Y C 1.837 177.610 175.900 -0.212 0.000 1.144 421 Y CA 0.691 58.402 58.100 -0.648 0.000 1.228 421 Y CB -0.392 37.642 38.460 -0.710 0.000 0.985 421 Y HN 0.086 nan 8.280 nan 0.000 0.542 422 F N -0.997 119.027 119.950 0.124 0.000 2.437 422 F HA 0.081 4.608 4.527 -0.000 0.000 0.288 422 F C 1.534 177.400 175.800 0.110 0.000 1.085 422 F CA 0.585 58.660 58.000 0.124 0.000 1.430 422 F CB -0.634 38.417 39.000 0.085 0.000 1.120 422 F HN 0.000 nan 8.300 nan 0.000 0.556 423 N N -0.643 118.211 118.700 0.257 0.000 2.332 423 N HA 0.267 5.007 4.740 -0.000 0.000 0.190 423 N C 0.432 176.024 175.510 0.137 0.000 1.117 423 N CA 0.168 53.325 53.050 0.178 0.000 0.883 423 N CB 0.307 38.881 38.487 0.145 0.000 1.089 423 N HN 0.006 nan 8.380 nan 0.000 0.480 424 A N 0.940 123.835 122.820 0.125 0.000 2.524 424 A HA 0.463 4.783 4.320 -0.000 0.000 0.250 424 A C 1.378 179.056 177.584 0.156 0.000 1.078 424 A CA 0.099 52.209 52.037 0.123 0.000 0.761 424 A CB 0.155 19.223 19.000 0.113 0.000 1.012 424 A HN 0.342 nan 8.150 nan 0.000 0.500 425 A N 2.316 125.203 122.820 0.112 0.000 2.015 425 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 425 A C 1.260 178.901 177.584 0.095 0.000 1.163 425 A CA 1.704 53.798 52.037 0.096 0.000 0.646 425 A CB -0.351 18.690 19.000 0.069 0.000 0.806 425 A HN 0.858 nan 8.150 nan 0.000 0.448 426 D N -2.770 117.694 120.400 0.107 0.000 2.342 426 D HA 0.098 4.738 4.640 -0.000 0.000 0.221 426 D C -0.015 176.367 176.300 0.137 0.000 1.101 426 D CA -0.304 53.754 54.000 0.095 0.000 0.837 426 D CB -0.515 40.331 40.800 0.076 0.000 0.938 426 D HN 0.424 nan 8.370 nan 0.000 0.508 427 Y N 1.309 121.639 120.300 0.050 0.000 2.328 427 Y HA 0.427 4.977 4.550 -0.000 0.000 0.337 427 Y C -1.238 174.690 175.900 0.046 0.000 1.008 427 Y CA -1.412 56.724 58.100 0.060 0.000 1.129 427 Y CB 1.321 39.847 38.460 0.109 0.000 1.185 427 Y HN -0.219 nan 8.280 nan 0.000 0.476 428 D N 4.905 124.939 120.400 -0.610 0.000 2.469 428 D HA 0.152 4.792 4.640 -0.000 0.000 0.251 428 D C -0.687 175.225 176.300 -0.647 0.000 1.173 428 D CA -0.544 53.181 54.000 -0.458 0.000 0.882 428 D CB 0.876 41.542 40.800 -0.222 0.000 1.129 428 D HN 0.735 nan 8.370 nan 0.000 0.549 429 D N 1.135 121.209 120.400 -0.543 0.000 2.424 429 D HA -0.036 4.603 4.640 -0.000 0.000 0.220 429 D C 1.269 177.471 176.300 -0.164 0.000 1.150 429 D CA -0.056 53.717 54.000 -0.378 0.000 0.831 429 D CB -0.023 40.633 40.800 -0.238 0.000 0.981 429 D HN 0.182 nan 8.370 nan 0.000 0.500 430 S N 0.266 115.890 115.700 -0.128 0.000 2.419 430 S HA -0.264 4.206 4.470 -0.000 0.000 0.235 430 S C 1.626 176.200 174.600 -0.043 0.000 1.019 430 S CA 0.887 59.053 58.200 -0.057 0.000 0.982 430 S CB -0.497 62.676 63.200 -0.044 0.000 0.789 430 S HN 0.377 nan 8.310 nan 0.000 0.490 431 Q N 0.039 119.799 119.800 -0.066 0.000 2.356 431 Q HA 0.354 4.694 4.340 -0.000 0.000 0.205 431 Q C -0.144 175.843 176.000 -0.022 0.000 0.901 431 Q CA -0.405 55.376 55.803 -0.037 0.000 0.938 431 Q CB -0.060 28.652 28.738 -0.044 0.000 1.081 431 Q HN 0.448 nan 8.270 nan 0.000 0.517 432 L N 2.791 123.984 121.223 -0.050 0.000 2.628 432 L HA -0.045 4.295 4.340 -0.000 0.000 0.274 432 L C -0.360 176.563 176.870 0.089 0.000 1.209 432 L CA 0.698 55.517 54.840 -0.036 0.000 0.930 432 L CB 0.304 42.275 42.059 -0.148 0.000 1.183 432 L HN -0.036 nan 8.230 nan 0.000 0.492 433 D N 4.673 125.183 120.400 0.183 0.000 2.313 433 D HA 0.145 4.785 4.640 -0.000 0.000 0.239 433 D C 0.944 177.470 176.300 0.377 0.000 1.142 433 D CA -0.365 53.769 54.000 0.223 0.000 0.847 433 D CB 0.874 41.773 40.800 0.165 0.000 1.082 433 D HN 0.484 nan 8.370 nan 0.000 0.480 434 M N 2.672 122.465 119.600 0.322 0.000 2.549 434 M HA 0.172 4.652 4.480 -0.000 0.000 0.260 434 M C 1.274 177.705 176.300 0.219 0.000 1.076 434 M CA 0.785 56.327 55.300 0.402 0.000 1.090 434 M CB -1.655 31.170 32.600 0.375 0.000 1.418 434 M HN 0.663 nan 8.290 nan 0.000 0.486 435 G N 0.603 109.473 108.800 0.118 0.000 2.725 435 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 435 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 435 G C 0.232 175.098 174.900 -0.057 0.000 1.357 435 G CA 0.120 45.243 45.100 0.039 0.000 0.866 435 G HN 0.408 nan 8.290 nan 0.000 0.548 436 T N -1.529 112.995 114.554 -0.050 0.000 3.174 436 T HA 0.595 4.945 4.350 -0.000 0.000 0.269 436 T C 1.256 175.900 174.700 -0.092 0.000 1.017 436 T CA 1.078 63.131 62.100 -0.078 0.000 0.899 436 T CB 0.419 69.267 68.868 -0.033 0.000 1.077 436 T HN 1.960 nan 8.240 nan 0.000 0.552 437 G N 1.636 110.376 108.800 -0.101 0.000 2.554 437 G HA2 0.466 4.425 3.960 -0.000 0.000 0.238 437 G HA3 0.466 4.425 3.960 -0.000 0.000 0.238 437 G C -0.025 174.824 174.900 -0.085 0.000 1.259 437 G CA -0.789 44.297 45.100 -0.023 0.000 0.843 437 G HN 0.591 nan 8.290 nan 0.000 0.582 438 L N 1.017 122.253 121.223 0.023 0.000 2.462 438 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 438 L C 0.828 177.766 176.870 0.113 0.000 1.166 438 L CA -0.325 54.537 54.840 0.037 0.000 0.880 438 L CB 0.288 42.384 42.059 0.063 0.000 1.142 438 L HN 0.377 nan 8.230 nan 0.000 0.473 439 R N 1.828 122.365 120.500 0.061 0.000 2.536 439 R HA 0.277 4.617 4.340 -0.000 0.000 0.279 439 R C -0.830 175.608 176.300 0.230 0.000 1.001 439 R CA -0.616 55.592 56.100 0.179 0.000 1.027 439 R CB 0.660 31.004 30.300 0.074 0.000 1.096 439 R HN 0.318 nan 8.270 nan 0.000 0.502 440 Y N 1.076 121.492 120.300 0.193 0.000 2.436 440 Y HA 0.042 4.591 4.550 -0.000 0.000 0.336 440 Y C 1.152 177.108 175.900 0.094 0.000 1.049 440 Y CA 0.360 58.553 58.100 0.156 0.000 1.294 440 Y CB 0.847 39.412 38.460 0.175 0.000 1.179 440 Y HN 0.764 nan 8.280 nan 0.000 0.520 441 T N 1.537 115.918 114.554 -0.287 0.000 3.107 441 T HA 0.232 4.582 4.350 -0.000 0.000 0.249 441 T C 0.922 175.461 174.700 -0.268 0.000 1.096 441 T CA 0.122 62.099 62.100 -0.205 0.000 1.012 441 T CB -0.538 68.226 68.868 -0.173 0.000 0.977 441 T HN 0.788 nan 8.240 nan 0.000 0.527 442 G N 1.037 109.539 108.800 -0.497 0.000 2.414 442 G HA2 0.435 4.395 3.960 -0.000 0.000 0.236 442 G HA3 0.435 4.395 3.960 -0.000 0.000 0.236 442 G C -0.698 174.153 174.900 -0.081 0.000 1.293 442 G CA -0.251 44.688 45.100 -0.268 0.000 0.869 442 G HN 0.407 nan 8.290 nan 0.000 0.556 443 V N 2.135 121.954 119.914 -0.158 0.000 2.487 443 V HA 0.838 4.958 4.120 -0.000 0.000 0.298 443 V C 0.733 176.697 176.094 -0.217 0.000 1.028 443 V CA 0.218 62.432 62.300 -0.143 0.000 0.860 443 V CB 1.401 33.132 31.823 -0.153 0.000 0.991 443 V HN 1.158 nan 8.190 nan 0.000 0.427 444 G N 4.144 112.833 108.800 -0.185 0.000 3.086 444 G HA2 0.599 4.559 3.960 -0.000 0.000 0.282 444 G HA3 0.599 4.559 3.960 -0.000 0.000 0.282 444 G C -2.533 172.196 174.900 -0.285 0.000 1.343 444 G CA -1.028 43.905 45.100 -0.279 0.000 0.895 444 G HN 0.443 nan 8.290 nan 0.000 0.557 445 P HA -0.045 nan 4.420 nan 0.000 0.215 445 P C 1.914 179.127 177.300 -0.146 0.000 1.157 445 P CA 1.982 64.912 63.100 -0.284 0.000 0.874 445 P CB 0.100 31.673 31.700 -0.213 0.000 0.790 446 G N -0.820 107.948 108.800 -0.053 0.000 2.598 446 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.215 446 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.215 446 G C 0.659 175.555 174.900 -0.008 0.000 1.131 446 G CA 0.425 45.521 45.100 -0.007 0.000 0.785 446 G HN 0.527 nan 8.290 nan 0.000 0.539 447 N N -1.002 117.678 118.700 -0.033 0.000 2.536 447 N HA 0.299 5.039 4.740 -0.000 0.000 0.286 447 N C -0.218 175.257 175.510 -0.060 0.000 1.577 447 N CA -0.533 52.504 53.050 -0.022 0.000 0.883 447 N CB 0.170 38.667 38.487 0.016 0.000 1.390 447 N HN -0.009 nan 8.380 nan 0.000 0.491 448 L N 1.735 122.898 121.223 -0.100 0.000 2.499 448 L HA 0.266 4.605 4.340 -0.000 0.000 0.273 448 L C -1.678 175.147 176.870 -0.075 0.000 1.195 448 L CA -1.436 53.328 54.840 -0.128 0.000 0.882 448 L CB 0.217 42.163 42.059 -0.188 0.000 1.133 448 L HN 0.185 nan 8.230 nan 0.000 0.483 449 P HA 0.104 nan 4.420 nan 0.000 0.275 449 P C -0.450 176.829 177.300 -0.035 0.000 1.228 449 P CA -0.550 62.525 63.100 -0.042 0.000 0.786 449 P CB 0.973 32.648 31.700 -0.041 0.000 0.927 450 I N 3.099 123.657 120.570 -0.020 0.000 2.683 450 I HA 0.100 4.270 4.170 -0.000 0.000 0.286 450 I C 1.009 177.118 176.117 -0.013 0.000 1.175 450 I CA 0.967 62.260 61.300 -0.013 0.000 1.429 450 I CB -0.774 37.221 38.000 -0.007 0.000 1.371 450 I HN 0.449 nan 8.210 nan 0.000 0.569 451 M N 4.655 124.250 119.600 -0.009 0.000 2.644 451 M HA 0.363 4.842 4.480 -0.000 0.000 0.273 451 M C -0.555 175.748 176.300 0.005 0.000 1.253 451 M CA -0.672 54.625 55.300 -0.004 0.000 0.852 451 M CB 2.945 35.539 32.600 -0.010 0.000 1.708 451 M HN 0.643 nan 8.290 nan 0.000 0.471 452 T N -0.704 113.858 114.554 0.014 0.000 2.900 452 T HA 0.975 5.325 4.350 -0.000 0.000 0.295 452 T C -1.125 173.596 174.700 0.036 0.000 1.044 452 T CA -0.726 61.387 62.100 0.022 0.000 0.995 452 T CB 2.150 71.029 68.868 0.017 0.000 1.072 452 T HN 1.006 nan 8.240 nan 0.000 0.473 453 A N 2.533 125.382 122.820 0.049 0.000 2.599 453 A HA 0.775 5.095 4.320 -0.000 0.000 0.294 453 A C -3.267 174.363 177.584 0.076 0.000 1.055 453 A CA -1.503 50.575 52.037 0.068 0.000 0.683 453 A CB 0.476 19.527 19.000 0.085 0.000 1.278 453 A HN 0.677 nan 8.150 nan 0.000 0.412 454 P HA 0.323 nan 4.420 nan 0.000 0.262 454 P C 0.178 177.543 177.300 0.109 0.000 1.182 454 P CA 0.609 63.765 63.100 0.093 0.000 0.761 454 P CB 0.589 32.358 31.700 0.114 0.000 0.795 455 A N 4.043 126.920 122.820 0.095 0.000 2.540 455 A HA 0.028 4.348 4.320 -0.000 0.000 0.239 455 A C -0.178 177.501 177.584 0.158 0.000 1.061 455 A CA -0.077 52.031 52.037 0.118 0.000 0.758 455 A CB -0.586 18.462 19.000 0.080 0.000 0.991 455 A HN 0.569 nan 8.150 nan 0.000 0.502 456 Y N 2.680 123.023 120.300 0.072 0.000 2.717 456 Y HA 0.294 4.843 4.550 -0.000 0.000 0.330 456 Y C -0.111 175.870 175.900 0.134 0.000 1.217 456 Y CA 0.484 58.600 58.100 0.026 0.000 1.506 456 Y CB 0.425 38.763 38.460 -0.204 0.000 1.268 456 Y HN 0.379 nan 8.280 nan 0.000 0.561 457 V N 9.648 129.244 119.914 -0.529 0.000 2.313 457 V HA 0.268 4.388 4.120 -0.000 0.000 0.278 457 V C -2.207 173.487 176.094 -0.666 0.000 1.017 457 V CA -2.156 59.892 62.300 -0.419 0.000 0.823 457 V CB 1.072 32.788 31.823 -0.179 0.000 1.010 457 V HN 0.740 nan 8.190 nan 0.000 0.443 458 P HA 0.202 nan 4.420 nan 0.000 0.257 458 P C 0.977 178.206 177.300 -0.119 0.000 1.189 458 P CA 1.296 64.281 63.100 -0.191 0.000 0.780 458 P CB 0.317 32.022 31.700 0.008 0.000 0.772 459 G N 1.676 110.433 108.800 -0.072 0.000 2.192 459 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.193 459 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.193 459 G C 0.230 175.080 174.900 -0.084 0.000 0.999 459 G CA -0.359 44.716 45.100 -0.042 0.000 0.659 459 G HN 0.521 nan 8.290 nan 0.000 0.503 460 T N 2.028 116.483 114.554 -0.167 0.000 2.845 460 T HA 0.577 4.927 4.350 -0.000 0.000 0.288 460 T C 0.218 174.736 174.700 -0.304 0.000 0.980 460 T CA 0.389 62.300 62.100 -0.315 0.000 1.071 460 T CB 1.653 70.182 68.868 -0.566 0.000 0.941 460 T HN 0.158 nan 8.240 nan 0.000 0.487 461 T N 3.394 117.767 114.554 -0.301 0.000 2.837 461 T HA 0.484 4.834 4.350 -0.000 0.000 0.285 461 T C -0.964 173.543 174.700 -0.321 0.000 0.984 461 T CA -0.293 61.723 62.100 -0.140 0.000 1.049 461 T CB 0.237 69.093 68.868 -0.019 0.000 0.947 461 T HN 0.399 nan 8.240 nan 0.000 0.472 462 Y N 0.937 121.252 120.300 0.026 0.000 2.393 462 Y HA 0.615 5.165 4.550 -0.000 0.000 0.341 462 Y C 0.568 176.366 175.900 -0.170 0.000 0.988 462 Y CA -1.150 56.931 58.100 -0.032 0.000 1.078 462 Y CB 1.256 39.740 38.460 0.039 0.000 1.203 462 Y HN 0.803 nan 8.280 nan 0.000 0.453 463 A N 2.105 124.903 122.820 -0.036 0.000 2.251 463 A HA 0.241 4.561 4.320 -0.000 0.000 0.278 463 A C -0.161 177.335 177.584 -0.146 0.000 1.206 463 A CA -0.651 51.283 52.037 -0.171 0.000 0.822 463 A CB 0.225 19.137 19.000 -0.146 0.000 1.187 463 A HN 0.787 nan 8.150 nan 0.000 0.504 464 Q N -0.712 119.001 119.800 -0.145 0.000 2.297 464 Q HA 0.408 4.748 4.340 -0.000 0.000 0.267 464 Q C 0.824 176.771 176.000 -0.088 0.000 1.006 464 Q CA 0.900 56.629 55.803 -0.123 0.000 0.896 464 Q CB 0.203 28.910 28.738 -0.051 0.000 1.186 464 Q HN 1.707 nan 8.270 nan 0.000 0.392 465 G N 2.343 111.076 108.800 -0.112 0.000 2.176 465 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.232 465 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.232 465 G C 0.090 174.981 174.900 -0.015 0.000 0.986 465 G CA -0.142 44.926 45.100 -0.053 0.000 0.643 465 G HN 0.955 nan 8.290 nan 0.000 0.522 466 A N 0.020 122.827 122.820 -0.022 0.000 2.477 466 A HA 0.684 5.004 4.320 -0.000 0.000 0.246 466 A C 0.393 178.067 177.584 0.149 0.000 1.078 466 A CA 0.355 52.441 52.037 0.082 0.000 0.770 466 A CB 0.356 19.458 19.000 0.170 0.000 1.011 466 A HN 0.906 nan 8.150 nan 0.000 0.494 467 L N 2.571 123.893 121.223 0.166 0.000 2.325 467 L HA 0.716 5.056 4.340 -0.000 0.000 0.278 467 L C -0.187 176.783 176.870 0.166 0.000 1.023 467 L CA -0.650 54.298 54.840 0.180 0.000 0.811 467 L CB 1.883 44.012 42.059 0.116 0.000 1.249 467 L HN 0.707 nan 8.230 nan 0.000 0.431 468 V N -0.781 119.223 119.914 0.151 0.000 3.178 468 V HA 0.760 4.880 4.120 -0.000 0.000 0.302 468 V C -0.534 175.648 176.094 0.147 0.000 1.262 468 V CA -0.739 61.608 62.300 0.079 0.000 1.030 468 V CB 1.905 33.647 31.823 -0.135 0.000 1.074 468 V HN 0.738 nan 8.190 nan 0.000 0.438 469 S N 1.759 117.552 115.700 0.155 0.000 2.509 469 S HA 0.883 5.353 4.470 -0.000 0.000 0.297 469 S C -1.119 173.640 174.600 0.265 0.000 1.118 469 S CA -0.553 57.767 58.200 0.201 0.000 1.074 469 S CB 1.407 64.672 63.200 0.109 0.000 1.038 469 S HN 1.721 nan 8.310 nan 0.000 0.498 470 Y N 0.948 121.344 120.300 0.160 0.000 2.424 470 Y HA 0.269 4.819 4.550 -0.000 0.000 0.323 470 Y C -0.344 175.642 175.900 0.143 0.000 1.174 470 Y CA -0.400 57.729 58.100 0.048 0.000 1.060 470 Y CB 1.318 39.610 38.460 -0.281 0.000 1.314 470 Y HN 0.954 nan 8.280 nan 0.000 0.439 471 Q N 3.876 123.456 119.800 -0.368 0.000 2.461 471 Q HA -0.269 4.071 4.340 -0.000 0.000 0.273 471 Q C 1.061 176.884 176.000 -0.295 0.000 1.163 471 Q CA 1.549 57.201 55.803 -0.252 0.000 0.929 471 Q CB -1.492 27.220 28.738 -0.044 0.000 1.334 471 Q HN 1.523 nan 8.270 nan 0.000 0.499 472 G N -2.470 106.164 108.800 -0.277 0.000 2.195 472 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.246 472 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.246 472 G C -0.294 174.333 174.900 -0.453 0.000 0.984 472 G CA 0.423 45.273 45.100 -0.418 0.000 0.633 472 G HN 0.329 nan 8.290 nan 0.000 0.525 473 Y N -0.975 119.327 120.300 0.005 0.000 2.630 473 Y HA 0.721 5.271 4.550 -0.000 0.000 0.337 473 Y C 0.373 176.190 175.900 -0.137 0.000 1.051 473 Y CA -1.448 56.544 58.100 -0.180 0.000 1.121 473 Y CB 1.747 39.905 38.460 -0.503 0.000 1.299 473 Y HN 0.081 nan 8.280 nan 0.000 0.498 474 V N 1.390 121.260 119.914 -0.073 0.000 2.398 474 V HA 0.325 4.445 4.120 -0.000 0.000 0.286 474 V C -1.191 174.817 176.094 -0.144 0.000 1.026 474 V CA -0.883 61.415 62.300 -0.003 0.000 0.868 474 V CB 0.443 32.268 31.823 0.004 0.000 0.982 474 V HN 0.660 nan 8.190 nan 0.000 0.443 475 W N 2.642 123.940 121.300 -0.004 0.000 2.736 475 W HA 0.770 5.430 4.660 -0.000 0.000 0.355 475 W C -0.072 176.559 176.519 0.186 0.000 1.102 475 W CA -0.684 56.691 57.345 0.050 0.000 1.164 475 W CB 1.170 30.604 29.460 -0.044 0.000 1.422 475 W HN 0.439 nan 8.180 nan 0.000 0.572 476 Q N 0.824 120.903 119.800 0.465 0.000 2.331 476 Q HA 0.438 4.778 4.340 -0.000 0.000 0.272 476 Q C -0.507 175.515 176.000 0.036 0.000 1.062 476 Q CA -0.603 55.346 55.803 0.245 0.000 0.806 476 Q CB 2.049 30.840 28.738 0.089 0.000 1.312 476 Q HN 0.553 nan 8.270 nan 0.000 0.431 477 T N 0.465 114.820 114.554 -0.332 0.000 2.884 477 T HA 0.289 4.639 4.350 -0.000 0.000 0.298 477 T C 0.482 174.912 174.700 -0.450 0.000 0.998 477 T CA -0.424 61.236 62.100 -0.734 0.000 1.124 477 T CB 1.068 69.363 68.868 -0.956 0.000 0.931 477 T HN 0.708 nan 8.240 nan 0.000 0.531 478 K N 1.533 121.590 120.400 -0.572 0.000 2.365 478 K HA 0.208 4.528 4.320 -0.000 0.000 0.197 478 K C -0.061 176.521 176.600 -0.030 0.000 1.042 478 K CA 0.195 56.322 56.287 -0.267 0.000 0.987 478 K CB 0.126 32.503 32.500 -0.205 0.000 0.779 478 K HN 0.849 nan 8.250 nan 0.000 0.484 479 W N -1.480 119.743 121.300 -0.128 0.000 2.923 479 W HA 0.590 5.250 4.660 -0.000 0.000 0.373 479 W C -0.413 176.032 176.519 -0.124 0.000 1.205 479 W CA -1.459 55.830 57.345 -0.093 0.000 1.180 479 W CB -0.105 29.323 29.460 -0.054 0.000 1.477 479 W HN -0.173 nan 8.180 nan 0.000 0.581 480 G N -0.812 108.116 108.800 0.213 0.000 2.547 480 G HA2 0.453 4.413 3.960 -0.000 0.000 0.291 480 G HA3 0.453 4.413 3.960 -0.000 0.000 0.291 480 G C -1.142 173.839 174.900 0.135 0.000 1.211 480 G CA -0.598 44.499 45.100 -0.005 0.000 0.950 480 G HN 1.064 nan 8.290 nan 0.000 0.504 481 Y N -2.349 117.984 120.300 0.056 0.000 3.305 481 Y HA -0.162 4.388 4.550 -0.000 0.000 0.209 481 Y C 0.511 176.447 175.900 0.060 0.000 1.354 481 Y CA -0.383 57.752 58.100 0.059 0.000 1.392 481 Y CB -1.799 36.706 38.460 0.075 0.000 1.446 481 Y HN 0.226 nan 8.280 nan 0.000 0.553 482 I N 1.076 121.686 120.570 0.067 0.000 2.396 482 I HA 0.084 4.254 4.170 -0.000 0.000 0.289 482 I C 1.415 177.659 176.117 0.211 0.000 1.056 482 I CA 0.658 61.979 61.300 0.034 0.000 1.365 482 I CB 0.964 38.775 38.000 -0.314 0.000 1.407 482 I HN 0.422 nan 8.210 nan 0.000 0.509 483 T N 0.566 115.245 114.554 0.207 0.000 3.085 483 T HA 0.202 4.552 4.350 -0.000 0.000 0.264 483 T C 0.656 175.515 174.700 0.264 0.000 1.019 483 T CA -0.278 61.958 62.100 0.226 0.000 0.910 483 T CB 0.346 69.305 68.868 0.152 0.000 1.059 483 T HN 0.421 nan 8.240 nan 0.000 0.542 484 S N 0.240 116.115 115.700 0.292 0.000 2.709 484 S HA 0.803 5.273 4.470 -0.000 0.000 0.302 484 S C -0.395 174.293 174.600 0.147 0.000 1.127 484 S CA -0.540 57.796 58.200 0.227 0.000 0.905 484 S CB 1.356 64.621 63.200 0.109 0.000 1.151 484 S HN 0.657 nan 8.310 nan 0.000 0.510 485 A N 2.343 125.011 122.820 -0.254 0.000 2.407 485 A HA 0.560 4.880 4.320 -0.000 0.000 0.248 485 A C -2.652 174.131 177.584 -1.335 0.000 1.082 485 A CA -1.134 50.181 52.037 -1.203 0.000 0.785 485 A CB -0.618 17.765 19.000 -1.028 0.000 1.020 485 A HN 0.551 nan 8.150 nan 0.000 0.489 486 P HA 0.249 nan 4.420 nan 0.000 0.263 486 P C 1.049 177.478 177.300 -1.452 0.000 1.195 486 P CA 2.049 63.797 63.100 -2.253 0.000 0.762 486 P CB 0.737 30.597 31.700 -3.067 0.000 0.799 487 G N 2.486 110.711 108.800 -0.958 0.000 2.241 487 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.244 487 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.244 487 G C 1.033 175.806 174.900 -0.212 0.000 0.998 487 G CA 0.379 45.240 45.100 -0.398 0.000 0.621 487 G HN 0.490 nan 8.290 nan 0.000 0.519 488 S N 0.188 115.719 115.700 -0.282 0.000 2.629 488 S HA 0.400 4.869 4.470 -0.000 0.000 0.236 488 S C -0.419 174.142 174.600 -0.065 0.000 1.010 488 S CA 0.473 58.590 58.200 -0.138 0.000 0.981 488 S CB 0.698 63.809 63.200 -0.150 0.000 0.919 488 S HN 0.601 nan 8.310 nan 0.000 0.514 489 D N 0.698 121.073 120.400 -0.043 0.000 2.613 489 D HA 0.136 4.776 4.640 -0.000 0.000 0.230 489 D C 0.495 176.834 176.300 0.065 0.000 1.365 489 D CA -0.216 53.816 54.000 0.054 0.000 0.976 489 D CB 1.397 42.262 40.800 0.109 0.000 1.415 489 D HN 0.019 nan 8.370 nan 0.000 0.589 490 S N 1.703 117.449 115.700 0.078 0.000 2.653 490 S HA 0.000 4.470 4.470 -0.000 0.000 0.233 490 S C 1.582 176.128 174.600 -0.089 0.000 0.970 490 S CA 0.542 58.792 58.200 0.084 0.000 0.947 490 S CB -0.016 63.288 63.200 0.174 0.000 0.771 490 S HN 0.440 nan 8.310 nan 0.000 0.538 491 A N 0.011 122.615 122.820 -0.359 0.000 2.208 491 A HA 0.271 4.591 4.320 -0.000 0.000 0.209 491 A C 0.210 177.255 177.584 -0.898 0.000 1.161 491 A CA -0.311 51.033 52.037 -1.155 0.000 0.782 491 A CB -0.381 17.845 19.000 -1.291 0.000 0.816 491 A HN 0.680 nan 8.150 nan 0.000 0.477 492 W N -0.899 120.194 121.300 -0.344 0.000 2.433 492 W HA 0.567 5.227 4.660 -0.000 0.000 0.315 492 W C -0.464 176.088 176.519 0.055 0.000 1.087 492 W CA -0.792 56.447 57.345 -0.176 0.000 1.205 492 W CB 1.140 30.433 29.460 -0.279 0.000 1.288 492 W HN 0.057 nan 8.180 nan 0.000 0.504 493 L N 4.627 126.048 121.223 0.330 0.000 2.298 493 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 493 L C 0.127 177.081 176.870 0.140 0.000 1.013 493 L CA -1.032 53.923 54.840 0.193 0.000 0.824 493 L CB 0.838 42.925 42.059 0.047 0.000 1.221 493 L HN 0.331 nan 8.230 nan 0.000 0.418 494 K N 4.246 124.551 120.400 -0.158 0.000 2.351 494 K HA 0.168 4.488 4.320 -0.000 0.000 0.287 494 K C 0.584 176.893 176.600 -0.485 0.000 1.068 494 K CA 0.329 56.134 56.287 -0.804 0.000 0.998 494 K CB 0.467 32.182 32.500 -1.308 0.000 0.968 494 K HN 0.691 nan 8.250 nan 0.000 0.464 495 V N 0.928 120.637 119.914 -0.341 0.000 3.605 495 V HA 0.436 4.555 4.120 -0.000 0.000 0.284 495 V C 0.505 176.479 176.094 -0.200 0.000 1.386 495 V CA 0.530 62.697 62.300 -0.222 0.000 1.053 495 V CB 0.313 32.072 31.823 -0.106 0.000 0.857 495 V HN 0.716 nan 8.190 nan 0.000 0.436 496 G N 0.729 109.393 108.800 -0.226 0.000 2.619 496 G HA2 0.738 4.698 3.960 -0.000 0.000 0.305 496 G HA3 0.738 4.698 3.960 -0.000 0.000 0.305 496 G C -1.257 173.588 174.900 -0.091 0.000 1.330 496 G CA -0.616 44.402 45.100 -0.137 0.000 0.789 496 G HN 0.684 nan 8.290 nan 0.000 0.487 497 R N -1.794 118.695 120.500 -0.018 0.000 2.795 497 R HA 0.662 5.002 4.340 -0.000 0.000 0.268 497 R C 0.773 177.079 176.300 0.010 0.000 1.041 497 R CA -0.311 55.821 56.100 0.053 0.000 0.927 497 R CB 0.772 31.133 30.300 0.101 0.000 1.235 497 R HN 0.499 nan 8.270 nan 0.000 0.463 498 V N -0.195 119.714 119.914 -0.009 0.000 2.351 498 V HA -0.381 3.739 4.120 -0.000 0.000 0.245 498 V C 1.107 177.193 176.094 -0.013 0.000 1.059 498 V CA 2.986 65.271 62.300 -0.026 0.000 1.105 498 V CB -1.268 30.532 31.823 -0.039 0.000 0.845 498 V HN 1.044 nan 8.190 nan 0.000 0.477 499 A N 0.000 122.814 122.820 -0.010 0.000 2.254 499 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 499 A CA 0.000 nan 52.037 nan 0.000 0.836 499 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 499 A HN 0.000 nan 8.150 nan 0.000 0.486