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 1uwk_1_B DATA FIRST_RESID 5 DATA SEQUENCE NKYRDVEIRA PRGNKLTAKS WLTEAPLRML MNNLDPQVAE NPKELVVYGG DATA SEQUENCE IGRAARNWEC YDKIVETLTR LEDDETLLVQ SGKPVGVFKT HSNAPRVLIA DATA SEQUENCE NSNLVPHWAN WEHFNELDAK GLAMYGQMTA GSWIYIGSQG IVQGTYETFV DATA SEQUENCE EAGRQHYGGS LKGKWVLTAG LGGMGGAQPL AATLAGACSL NIESQQSRID DATA SEQUENCE FRLETRYVDE QATDLDDALV RIAKYTAEGK AISIALHGNA AEILPELVKR DATA SEQUENCE GVRPDMVTDQ TSAHDPLNGY LPAGWTWEQY RDRAQTEPAA VVKAAKQSMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVADAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE AETEAMRDGS DAVSDWPLLN ALLNTAGGAT WVSLHHGGGV GMGFSQHSGM DATA SEQUENCE VIVCDGTDEA AERIARVLTN DPGTGVMRHA DAGYDIAIDC AKEQGLDLPM DATA SEQUENCE ITG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.740 175.510 0.384 0.000 1.280 5 N CA 0.000 53.211 53.050 0.269 0.000 0.885 5 N CB 0.000 38.589 38.487 0.170 0.000 1.341 6 K N -1.031 119.591 120.400 0.371 0.000 2.335 6 K HA 0.299 4.607 4.320 -0.019 0.000 0.195 6 K C -0.223 176.716 176.600 0.566 0.000 1.058 6 K CA 0.368 56.870 56.287 0.358 0.000 0.988 6 K CB 0.461 33.103 32.500 0.236 0.000 0.880 6 K HN 0.217 nan 8.250 nan 0.000 0.513 7 Y N 1.418 121.947 120.300 0.382 0.000 2.391 7 Y HA 0.506 5.044 4.550 -0.020 0.000 0.341 7 Y C -1.259 174.600 175.900 -0.068 0.000 0.965 7 Y CA -1.419 56.831 58.100 0.250 0.000 1.067 7 Y CB 1.458 39.989 38.460 0.117 0.000 1.199 7 Y HN -0.168 nan 8.280 nan 0.000 0.450 8 R N 4.582 124.499 120.500 -0.972 0.000 2.514 8 R HA 0.209 4.538 4.340 -0.019 0.000 0.296 8 R C -1.656 173.990 176.300 -1.091 0.000 1.012 8 R CA -0.665 54.710 56.100 -1.208 0.000 0.897 8 R CB 1.008 30.111 30.300 -1.996 0.000 1.184 8 R HN 0.770 nan 8.270 nan 0.000 0.440 9 D N 4.141 124.065 120.400 -0.793 0.000 2.608 9 D HA 0.160 4.788 4.640 -0.019 0.000 0.224 9 D C -1.286 174.813 176.300 -0.335 0.000 1.123 9 D CA 0.157 53.872 54.000 -0.475 0.000 1.030 9 D CB 0.382 41.082 40.800 -0.166 0.000 1.093 9 D HN 0.175 nan 8.370 nan 0.000 0.497 10 V N 2.130 121.822 119.914 -0.370 0.000 2.971 10 V HA 0.378 4.487 4.120 -0.019 0.000 0.309 10 V C -1.008 174.982 176.094 -0.175 0.000 1.130 10 V CA -0.820 61.318 62.300 -0.269 0.000 0.964 10 V CB 2.282 33.887 31.823 -0.363 0.000 1.029 10 V HN 0.237 nan 8.190 nan 0.000 0.427 11 E N 5.226 125.364 120.200 -0.103 0.000 2.174 11 E HA 0.542 4.881 4.350 -0.019 0.000 0.282 11 E C -1.072 175.512 176.600 -0.027 0.000 0.992 11 E CA -0.321 56.050 56.400 -0.048 0.000 0.803 11 E CB 2.063 31.747 29.700 -0.027 0.000 1.090 11 E HN 0.524 nan 8.360 nan 0.000 0.396 12 I N 3.326 123.899 120.570 0.005 0.000 2.441 12 I HA 0.430 4.588 4.170 -0.019 0.000 0.295 12 I C -0.060 176.090 176.117 0.056 0.000 0.994 12 I CA -0.607 60.714 61.300 0.036 0.000 1.144 12 I CB 1.329 39.362 38.000 0.054 0.000 1.314 12 I HN 0.315 nan 8.210 nan 0.000 0.445 13 R N 3.893 124.427 120.500 0.058 0.000 2.771 13 R HA 0.716 5.045 4.340 -0.019 0.000 0.274 13 R C -0.932 175.404 176.300 0.060 0.000 0.987 13 R CA -1.056 55.081 56.100 0.061 0.000 0.908 13 R CB 1.951 32.281 30.300 0.048 0.000 1.213 13 R HN 0.669 nan 8.270 nan 0.000 0.468 14 A N 3.032 125.890 122.820 0.063 0.000 2.511 14 A HA 0.290 4.599 4.320 -0.019 0.000 0.242 14 A C -2.039 175.574 177.584 0.048 0.000 1.069 14 A CA -0.895 51.176 52.037 0.057 0.000 0.763 14 A CB -0.459 18.582 19.000 0.068 0.000 1.001 14 A HN 0.351 nan 8.150 nan 0.000 0.498 15 P HA 0.065 nan 4.420 nan 0.000 0.266 15 P C -0.141 177.194 177.300 0.058 0.000 1.186 15 P CA 0.437 63.559 63.100 0.036 0.000 0.767 15 P CB 0.375 32.084 31.700 0.016 0.000 0.820 16 R N 1.470 122.002 120.500 0.053 0.000 2.875 16 R HA 0.743 5.072 4.340 -0.019 0.000 0.251 16 R C 0.751 177.104 176.300 0.088 0.000 1.123 16 R CA -0.162 55.977 56.100 0.064 0.000 1.064 16 R CB 0.423 30.746 30.300 0.038 0.000 1.205 16 R HN 0.771 nan 8.270 nan 0.000 0.503 17 G N 0.956 109.813 108.800 0.095 0.000 2.645 17 G HA2 -0.308 3.641 3.960 -0.019 0.000 0.246 17 G HA3 -0.308 3.641 3.960 -0.019 0.000 0.246 17 G C 0.114 175.144 174.900 0.217 0.000 1.322 17 G CA 0.111 45.277 45.100 0.111 0.000 0.898 17 G HN 0.570 nan 8.290 nan 0.000 0.573 18 N N 0.420 119.241 118.700 0.203 0.000 2.236 18 N HA 0.033 4.762 4.740 -0.019 0.000 0.196 18 N C 0.867 176.492 175.510 0.192 0.000 1.114 18 N CA 0.429 53.678 53.050 0.331 0.000 0.859 18 N CB 0.389 39.022 38.487 0.243 0.000 0.982 18 N HN 0.625 nan 8.380 nan 0.000 0.493 19 K N 1.602 122.042 120.400 0.066 0.000 2.322 19 K HA 0.192 4.500 4.320 -0.019 0.000 0.283 19 K C -0.371 176.130 176.600 -0.165 0.000 1.042 19 K CA -0.133 56.132 56.287 -0.037 0.000 0.958 19 K CB 0.667 33.153 32.500 -0.024 0.000 0.984 19 K HN -0.016 nan 8.250 nan 0.000 0.473 20 L N 3.356 124.420 121.223 -0.265 0.000 2.357 20 L HA 0.228 4.556 4.340 -0.019 0.000 0.273 20 L C 1.556 178.295 176.870 -0.218 0.000 1.080 20 L CA -0.373 54.240 54.840 -0.377 0.000 0.803 20 L CB 1.694 43.468 42.059 -0.474 0.000 1.174 20 L HN 0.890 nan 8.230 nan 0.000 0.443 21 T N -2.156 112.277 114.554 -0.201 0.000 2.978 21 T HA 0.287 4.626 4.350 -0.019 0.000 0.248 21 T C 0.687 175.303 174.700 -0.140 0.000 1.018 21 T CA 0.240 62.257 62.100 -0.138 0.000 1.026 21 T CB 0.380 69.185 68.868 -0.105 0.000 1.032 21 T HN 0.541 nan 8.240 nan 0.000 0.485 22 A N 1.561 124.280 122.820 -0.168 0.000 2.249 22 A HA 0.570 4.879 4.320 -0.019 0.000 0.281 22 A C 1.130 178.623 177.584 -0.151 0.000 1.127 22 A CA -0.538 51.413 52.037 -0.143 0.000 0.833 22 A CB 0.529 19.449 19.000 -0.133 0.000 1.140 22 A HN 0.321 nan 8.150 nan 0.000 0.502 23 K N -0.402 119.934 120.400 -0.107 0.000 2.418 23 K HA 0.063 4.372 4.320 -0.019 0.000 0.195 23 K C 0.246 176.788 176.600 -0.097 0.000 1.035 23 K CA 1.052 57.285 56.287 -0.090 0.000 1.003 23 K CB -0.068 32.401 32.500 -0.051 0.000 0.793 23 K HN 0.755 nan 8.250 nan 0.000 0.494 24 S N -2.579 113.054 115.700 -0.112 0.000 2.615 24 S HA 0.171 4.629 4.470 -0.019 0.000 0.269 24 S C -0.434 174.111 174.600 -0.091 0.000 1.161 24 S CA -1.059 57.092 58.200 -0.081 0.000 0.817 24 S CB -0.058 63.159 63.200 0.029 0.000 1.131 24 S HN 0.257 nan 8.310 nan 0.000 0.467 25 W N 0.393 121.721 121.300 0.045 0.000 2.425 25 W HA 0.192 4.841 4.660 -0.019 0.000 0.277 25 W C 1.888 178.460 176.519 0.089 0.000 1.231 25 W CA 0.358 57.739 57.345 0.060 0.000 1.248 25 W CB -0.154 29.343 29.460 0.061 0.000 1.117 25 W HN 0.534 nan 8.180 nan 0.000 0.568 26 L N -0.146 121.252 121.223 0.291 0.000 2.291 26 L HA -0.121 4.208 4.340 -0.019 0.000 0.214 26 L C 2.312 179.305 176.870 0.205 0.000 1.120 26 L CA 1.659 56.654 54.840 0.257 0.000 0.799 26 L CB -1.065 41.112 42.059 0.197 0.000 0.925 26 L HN 0.091 nan 8.230 nan 0.000 0.446 27 T N -5.040 109.582 114.554 0.113 0.000 3.023 27 T HA -0.026 4.313 4.350 -0.019 0.000 0.249 27 T C 1.579 176.273 174.700 -0.010 0.000 1.050 27 T CA 0.226 62.348 62.100 0.038 0.000 1.088 27 T CB 0.245 69.112 68.868 -0.001 0.000 0.946 27 T HN 0.046 nan 8.240 nan 0.000 0.480 28 E N 2.343 122.536 120.200 -0.010 0.000 2.110 28 E HA 0.044 4.383 4.350 -0.019 0.000 0.193 28 E C 2.240 178.891 176.600 0.085 0.000 0.988 28 E CA 1.377 57.752 56.400 -0.043 0.000 0.804 28 E CB -0.719 28.848 29.700 -0.221 0.000 0.745 28 E HN 0.593 nan 8.360 nan 0.000 0.458 29 A N 1.297 124.257 122.820 0.232 0.000 1.858 29 A HA -0.077 4.231 4.320 -0.019 0.000 0.216 29 A C -0.182 177.472 177.584 0.117 0.000 1.190 29 A CA 1.659 53.890 52.037 0.322 0.000 0.617 29 A CB -1.718 17.591 19.000 0.515 0.000 0.827 29 A HN 0.395 nan 8.150 nan 0.000 0.443 30 P HA -0.137 nan 4.420 nan 0.000 0.218 30 P C 1.806 178.844 177.300 -0.437 0.000 1.149 30 P CA 1.023 63.685 63.100 -0.730 0.000 0.817 30 P CB -0.183 30.994 31.700 -0.870 0.000 0.785 31 L N -0.170 120.880 121.223 -0.287 0.000 2.017 31 L HA -0.134 4.194 4.340 -0.019 0.000 0.208 31 L C 2.777 179.536 176.870 -0.186 0.000 1.073 31 L CA 1.765 56.437 54.840 -0.280 0.000 0.745 31 L CB -0.365 41.578 42.059 -0.194 0.000 0.894 31 L HN -0.216 nan 8.230 nan 0.000 0.432 32 R N -1.072 119.393 120.500 -0.058 0.000 2.092 32 R HA -0.081 4.248 4.340 -0.019 0.000 0.231 32 R C 2.139 178.468 176.300 0.047 0.000 1.119 32 R CA 1.334 57.448 56.100 0.023 0.000 0.970 32 R CB -0.222 30.144 30.300 0.110 0.000 0.864 32 R HN 0.374 nan 8.270 nan 0.000 0.440 33 M N 0.275 119.923 119.600 0.080 0.000 2.288 33 M HA -0.056 4.413 4.480 -0.019 0.000 0.266 33 M C 2.153 178.511 176.300 0.097 0.000 1.072 33 M CA 0.901 56.316 55.300 0.193 0.000 1.132 33 M CB -0.826 32.043 32.600 0.448 0.000 1.386 33 M HN 0.128 nan 8.290 nan 0.000 0.432 34 L N 0.933 122.021 121.223 -0.226 0.000 2.012 34 L HA -0.144 4.184 4.340 -0.019 0.000 0.210 34 L C 2.186 178.976 176.870 -0.133 0.000 1.073 34 L CA 1.940 56.458 54.840 -0.536 0.000 0.748 34 L CB -0.636 40.728 42.059 -1.159 0.000 0.891 34 L HN 0.225 nan 8.230 nan 0.000 0.431 35 M N -0.628 118.941 119.600 -0.051 0.000 2.175 35 M HA -0.176 4.292 4.480 -0.019 0.000 0.264 35 M C 2.071 178.426 176.300 0.091 0.000 1.063 35 M CA 1.894 57.236 55.300 0.070 0.000 1.119 35 M CB -0.638 32.002 32.600 0.067 0.000 1.377 35 M HN 0.433 nan 8.290 nan 0.000 0.415 36 N N 0.861 119.620 118.700 0.098 0.000 2.166 36 N HA -0.155 4.574 4.740 -0.019 0.000 0.186 36 N C 1.250 176.870 175.510 0.184 0.000 1.019 36 N CA 1.353 54.484 53.050 0.134 0.000 0.856 36 N CB -0.139 38.432 38.487 0.141 0.000 0.993 36 N HN 0.166 nan 8.380 nan 0.000 0.426 37 N N -0.343 118.483 118.700 0.210 0.000 2.364 37 N HA -0.018 4.710 4.740 -0.019 0.000 0.183 37 N C 0.673 176.311 175.510 0.213 0.000 1.022 37 N CA 0.677 53.893 53.050 0.276 0.000 0.883 37 N CB 0.000 38.668 38.487 0.301 0.000 0.965 37 N HN 0.360 nan 8.380 nan 0.000 0.438 38 L N -0.659 120.654 121.223 0.150 0.000 2.667 38 L HA 0.165 4.493 4.340 -0.019 0.000 0.232 38 L C 0.339 177.286 176.870 0.129 0.000 1.138 38 L CA -0.248 54.664 54.840 0.119 0.000 0.921 38 L CB 0.070 42.163 42.059 0.057 0.000 1.180 38 L HN 0.031 nan 8.230 nan 0.000 0.487 39 D N 1.592 122.080 120.400 0.147 0.000 2.455 39 D HA -0.005 4.624 4.640 -0.019 0.000 0.241 39 D C -1.600 174.786 176.300 0.145 0.000 1.138 39 D CA -1.283 52.795 54.000 0.130 0.000 0.877 39 D CB 1.789 42.670 40.800 0.136 0.000 1.187 39 D HN -0.087 nan 8.370 nan 0.000 0.451 40 P HA -0.115 nan 4.420 nan 0.000 0.222 40 P C 0.946 178.308 177.300 0.103 0.000 1.147 40 P CA 0.968 64.112 63.100 0.072 0.000 0.790 40 P CB 0.159 31.866 31.700 0.011 0.000 0.780 41 Q N -0.779 119.116 119.800 0.158 0.000 2.425 41 Q HA 0.017 4.346 4.340 -0.019 0.000 0.204 41 Q C 1.223 177.459 176.000 0.392 0.000 0.933 41 Q CA 0.557 56.508 55.803 0.246 0.000 0.939 41 Q CB 0.167 29.014 28.738 0.181 0.000 1.044 41 Q HN 0.081 nan 8.270 nan 0.000 0.513 42 V N -0.296 119.829 119.914 0.352 0.000 2.806 42 V HA 0.283 4.392 4.120 -0.019 0.000 0.239 42 V C 0.730 177.094 176.094 0.450 0.000 1.113 42 V CA 0.727 63.234 62.300 0.346 0.000 1.137 42 V CB 0.475 32.470 31.823 0.287 0.000 0.865 42 V HN 0.281 nan 8.190 nan 0.000 0.482 43 A N 0.096 123.156 122.820 0.400 0.000 2.304 43 A HA 0.439 4.748 4.320 -0.019 0.000 0.301 43 A C 1.027 178.845 177.584 0.389 0.000 1.132 43 A CA -0.278 51.955 52.037 0.327 0.000 0.819 43 A CB 0.588 19.718 19.000 0.216 0.000 1.094 43 A HN 0.278 nan 8.150 nan 0.000 0.492 44 E N 0.564 120.943 120.200 0.297 0.000 2.107 44 E HA -0.099 4.240 4.350 -0.019 0.000 0.191 44 E C 0.058 176.812 176.600 0.255 0.000 0.982 44 E CA 1.281 57.877 56.400 0.327 0.000 0.809 44 E CB 0.097 29.925 29.700 0.214 0.000 0.756 44 E HN 0.640 nan 8.360 nan 0.000 0.459 45 N N -0.618 118.198 118.700 0.193 0.000 2.666 45 N HA 0.075 4.804 4.740 -0.019 0.000 0.253 45 N C -2.381 173.226 175.510 0.162 0.000 1.621 45 N CA -1.053 52.100 53.050 0.173 0.000 0.785 45 N CB 0.804 39.398 38.487 0.177 0.000 1.332 45 N HN -0.181 nan 8.380 nan 0.000 0.514 46 P HA -0.071 nan 4.420 nan 0.000 0.226 46 P C 0.632 178.058 177.300 0.210 0.000 1.153 46 P CA 0.759 63.947 63.100 0.146 0.000 0.777 46 P CB 0.465 32.244 31.700 0.132 0.000 0.794 47 K N 0.189 120.694 120.400 0.175 0.000 2.365 47 K HA -0.047 4.262 4.320 -0.019 0.000 0.199 47 K C 1.256 178.048 176.600 0.319 0.000 1.045 47 K CA 0.833 57.191 56.287 0.120 0.000 0.962 47 K CB 0.002 32.459 32.500 -0.071 0.000 0.759 47 K HN 0.308 nan 8.250 nan 0.000 0.469 48 E N 0.481 120.876 120.200 0.326 0.000 2.496 48 E HA 0.140 4.479 4.350 -0.019 0.000 0.200 48 E C -0.170 176.500 176.600 0.117 0.000 1.016 48 E CA -0.051 56.538 56.400 0.316 0.000 0.962 48 E CB 0.202 30.070 29.700 0.280 0.000 1.071 48 E HN 0.125 nan 8.360 nan 0.000 0.457 49 L N -0.818 120.420 121.223 0.026 0.000 4.937 49 L HA -0.217 4.112 4.340 -0.019 0.000 0.422 49 L C -0.090 176.755 176.870 -0.042 0.000 1.059 49 L CA 0.104 54.831 54.840 -0.188 0.000 1.111 49 L CB -1.456 40.339 42.059 -0.440 0.000 2.033 49 L HN 0.031 nan 8.230 nan 0.000 0.708 50 V N 0.549 120.488 119.914 0.041 0.000 2.432 50 V HA 0.156 4.265 4.120 -0.019 0.000 0.271 50 V C 1.254 177.378 176.094 0.049 0.000 1.046 50 V CA 0.257 62.586 62.300 0.049 0.000 0.945 50 V CB 1.599 33.478 31.823 0.093 0.000 0.992 50 V HN 0.108 nan 8.190 nan 0.000 0.471 51 V N 4.886 124.793 119.914 -0.012 0.000 2.490 51 V HA 0.174 4.283 4.120 -0.019 0.000 0.238 51 V C 0.259 176.315 176.094 -0.063 0.000 1.056 51 V CA 1.115 63.386 62.300 -0.049 0.000 1.075 51 V CB -0.267 31.497 31.823 -0.099 0.000 0.746 51 V HN 0.937 nan 8.190 nan 0.000 0.479 52 Y N -2.676 117.479 120.300 -0.242 0.000 2.788 52 Y HA 0.662 5.201 4.550 -0.017 0.000 0.335 52 Y C 0.235 176.123 175.900 -0.021 0.000 1.287 52 Y CA -0.914 57.089 58.100 -0.162 0.000 1.068 52 Y CB 0.782 39.056 38.460 -0.311 0.000 1.340 52 Y HN 0.367 nan 8.280 nan 0.000 0.449 53 G N 0.840 109.716 108.800 0.126 0.000 2.324 53 G HA2 0.314 4.263 3.960 -0.019 0.000 0.292 53 G HA3 0.314 4.263 3.960 -0.019 0.000 0.292 53 G C 0.982 176.043 174.900 0.268 0.000 1.079 53 G CA 1.180 46.332 45.100 0.087 0.000 1.026 53 G HN 2.776 nan 8.290 nan 0.000 0.506 54 G N -0.207 108.779 108.800 0.310 0.000 2.559 54 G HA2 -0.144 3.804 3.960 -0.019 0.000 0.282 54 G HA3 -0.144 3.804 3.960 -0.019 0.000 0.282 54 G C 0.881 175.887 174.900 0.177 0.000 1.177 54 G CA 0.963 46.217 45.100 0.256 0.000 0.960 54 G HN 2.065 nan 8.290 nan 0.000 0.540 55 I N 0.368 121.055 120.570 0.196 0.000 3.626 55 I HA 0.616 4.774 4.170 -0.019 0.000 0.345 55 I C 0.930 177.183 176.117 0.226 0.000 1.502 55 I CA 0.053 61.458 61.300 0.174 0.000 1.135 55 I CB 0.202 38.280 38.000 0.130 0.000 1.456 55 I HN 0.723 nan 8.210 nan 0.000 0.460 56 G N 2.157 110.990 108.800 0.054 0.000 2.356 56 G HA2 0.374 4.323 3.960 -0.019 0.000 0.273 56 G HA3 0.374 4.323 3.960 -0.019 0.000 0.273 56 G C -0.178 174.630 174.900 -0.153 0.000 1.213 56 G CA -0.370 44.578 45.100 -0.253 0.000 0.955 56 G HN 0.463 nan 8.290 nan 0.000 0.454 57 R N 1.483 121.947 120.500 -0.060 0.000 2.832 57 R HA 0.543 4.872 4.340 -0.019 0.000 0.271 57 R C 0.874 177.201 176.300 0.045 0.000 0.996 57 R CA -0.491 55.609 56.100 -0.001 0.000 0.977 57 R CB 1.970 32.292 30.300 0.037 0.000 1.168 57 R HN 0.493 nan 8.270 nan 0.000 0.482 58 A N 0.718 123.587 122.820 0.081 0.000 2.030 58 A HA 0.381 4.690 4.320 -0.019 0.000 0.215 58 A C 0.391 178.166 177.584 0.318 0.000 1.164 58 A CA 1.118 53.308 52.037 0.255 0.000 0.697 58 A CB 0.288 19.406 19.000 0.197 0.000 0.827 58 A HN 0.637 nan 8.150 nan 0.000 0.457 59 A N -1.792 121.092 122.820 0.108 0.000 2.606 59 A HA 0.623 4.932 4.320 -0.019 0.000 0.293 59 A C 0.589 178.173 177.584 -0.000 0.000 1.082 59 A CA -0.062 52.039 52.037 0.107 0.000 0.685 59 A CB 0.471 19.534 19.000 0.105 0.000 1.284 59 A HN 0.154 nan 8.150 nan 0.000 0.408 60 R N 0.010 120.526 120.500 0.027 0.000 2.081 60 R HA -0.114 4.215 4.340 -0.019 0.000 0.235 60 R C 0.249 176.526 176.300 -0.040 0.000 1.131 60 R CA 2.301 58.409 56.100 0.013 0.000 0.960 60 R CB -0.149 30.169 30.300 0.030 0.000 0.856 60 R HN 0.915 nan 8.270 nan 0.000 0.436 61 N N -4.128 114.524 118.700 -0.080 0.000 3.179 61 N HA 0.009 4.738 4.740 -0.019 0.000 0.250 61 N C -0.689 174.744 175.510 -0.128 0.000 1.507 61 N CA -0.802 52.181 53.050 -0.112 0.000 0.883 61 N CB -0.518 37.983 38.487 0.022 0.000 1.435 61 N HN -0.070 nan 8.380 nan 0.000 0.532 62 W N -0.315 121.035 121.300 0.082 0.000 2.467 62 W HA 0.162 4.809 4.660 -0.021 0.000 0.275 62 W C 1.996 178.592 176.519 0.128 0.000 1.239 62 W CA 0.679 58.082 57.345 0.097 0.000 1.266 62 W CB 0.178 29.657 29.460 0.033 0.000 1.112 62 W HN 0.746 nan 8.180 nan 0.000 0.576 63 E N -0.348 120.016 120.200 0.274 0.000 2.077 63 E HA -0.218 4.121 4.350 -0.019 0.000 0.193 63 E C 1.867 178.549 176.600 0.136 0.000 0.989 63 E CA 1.643 58.151 56.400 0.180 0.000 0.800 63 E CB -0.301 29.471 29.700 0.120 0.000 0.746 63 E HN 0.180 nan 8.360 nan 0.000 0.452 64 C N 0.205 119.572 119.300 0.112 0.000 2.446 64 C HA -0.117 4.332 4.460 -0.019 0.000 0.277 64 C C 2.452 177.491 174.990 0.081 0.000 1.275 64 C CA 0.780 59.845 59.018 0.078 0.000 1.727 64 C CB -1.221 26.556 27.740 0.063 0.000 2.010 64 C HN 0.600 nan 8.230 nan 0.000 0.486 65 Y N 2.429 122.721 120.300 -0.014 0.000 2.053 65 Y HA -0.257 4.282 4.550 -0.018 0.000 0.277 65 Y C 2.168 178.084 175.900 0.026 0.000 1.159 65 Y CA 2.263 60.346 58.100 -0.029 0.000 1.125 65 Y CB -0.475 37.940 38.460 -0.075 0.000 0.969 65 Y HN 0.301 nan 8.280 nan 0.000 0.492 66 D N 0.103 120.578 120.400 0.125 0.000 2.149 66 D HA -0.177 4.452 4.640 -0.019 0.000 0.198 66 D C 2.024 178.262 176.300 -0.103 0.000 0.990 66 D CA 1.615 55.612 54.000 -0.006 0.000 0.839 66 D CB -0.280 40.598 40.800 0.131 0.000 0.948 66 D HN 0.238 nan 8.370 nan 0.000 0.460 67 K N 0.717 121.090 120.400 -0.046 0.000 2.155 67 K HA 0.026 4.335 4.320 -0.019 0.000 0.203 67 K C 2.031 178.576 176.600 -0.092 0.000 1.052 67 K CA 0.494 56.751 56.287 -0.051 0.000 0.948 67 K CB -0.354 32.141 32.500 -0.009 0.000 0.728 67 K HN 0.113 nan 8.250 nan 0.000 0.448 68 I N -0.161 120.333 120.570 -0.126 0.000 2.179 68 I HA -0.274 3.884 4.170 -0.019 0.000 0.242 68 I C 1.951 177.920 176.117 -0.248 0.000 1.088 68 I CA 0.953 62.164 61.300 -0.149 0.000 1.357 68 I CB -0.235 37.675 38.000 -0.149 0.000 1.051 68 I HN -0.080 nan 8.210 nan 0.000 0.409 69 V N 0.676 120.356 119.914 -0.390 0.000 2.295 69 V HA -0.322 3.787 4.120 -0.019 0.000 0.246 69 V C 2.496 178.463 176.094 -0.212 0.000 1.049 69 V CA 2.238 64.320 62.300 -0.364 0.000 1.024 69 V CB -0.716 30.831 31.823 -0.460 0.000 0.648 69 V HN 0.505 nan 8.190 nan 0.000 0.447 70 E N -0.008 120.093 120.200 -0.165 0.000 2.085 70 E HA -0.238 4.101 4.350 -0.019 0.000 0.194 70 E C 2.177 178.722 176.600 -0.092 0.000 0.994 70 E CA 1.991 58.327 56.400 -0.106 0.000 0.801 70 E CB -0.102 29.553 29.700 -0.076 0.000 0.743 70 E HN 0.657 nan 8.360 nan 0.000 0.453 71 T N 1.276 115.776 114.554 -0.090 0.000 2.812 71 T HA -0.055 4.284 4.350 -0.019 0.000 0.264 71 T C 1.925 176.584 174.700 -0.069 0.000 1.042 71 T CA 0.826 62.886 62.100 -0.067 0.000 1.140 71 T CB -0.151 68.689 68.868 -0.048 0.000 0.870 71 T HN 0.142 nan 8.240 nan 0.000 0.445 72 L N 0.972 122.139 121.223 -0.093 0.000 2.079 72 L HA -0.141 4.188 4.340 -0.019 0.000 0.210 72 L C 2.862 179.677 176.870 -0.092 0.000 1.081 72 L CA 1.223 56.006 54.840 -0.095 0.000 0.752 72 L CB -1.137 40.830 42.059 -0.153 0.000 0.896 72 L HN 0.290 nan 8.230 nan 0.000 0.433 73 T N -0.399 114.092 114.554 -0.104 0.000 2.833 73 T HA -0.182 4.157 4.350 -0.019 0.000 0.269 73 T C 1.722 176.377 174.700 -0.074 0.000 1.054 73 T CA 1.564 63.607 62.100 -0.095 0.000 1.135 73 T CB -0.202 68.609 68.868 -0.096 0.000 0.869 73 T HN 0.503 nan 8.240 nan 0.000 0.466 74 R N 0.185 120.647 120.500 -0.063 0.000 2.334 74 R HA 0.327 4.655 4.340 -0.019 0.000 0.212 74 R C 0.424 176.700 176.300 -0.040 0.000 0.897 74 R CA -0.401 55.669 56.100 -0.050 0.000 1.056 74 R CB -0.358 29.914 30.300 -0.046 0.000 1.046 74 R HN 0.178 nan 8.270 nan 0.000 0.513 75 L N 3.002 124.203 121.223 -0.037 0.000 2.499 75 L HA 0.036 4.365 4.340 -0.019 0.000 0.273 75 L C 0.002 176.865 176.870 -0.012 0.000 1.195 75 L CA 0.617 55.445 54.840 -0.021 0.000 0.882 75 L CB 0.505 42.557 42.059 -0.013 0.000 1.133 75 L HN 0.152 nan 8.230 nan 0.000 0.483 76 E N 2.459 122.656 120.200 -0.004 0.000 2.312 76 E HA 0.058 4.396 4.350 -0.019 0.000 0.259 76 E C 0.434 177.046 176.600 0.020 0.000 1.122 76 E CA -0.105 56.298 56.400 0.005 0.000 0.922 76 E CB 0.592 30.296 29.700 0.006 0.000 1.109 76 E HN 0.690 nan 8.360 nan 0.000 0.442 77 D N -0.346 120.070 120.400 0.027 0.000 2.347 77 D HA -0.144 4.485 4.640 -0.019 0.000 0.215 77 D C 0.540 176.866 176.300 0.043 0.000 0.976 77 D CA 0.570 54.594 54.000 0.040 0.000 0.884 77 D CB -0.043 40.784 40.800 0.046 0.000 0.915 77 D HN 0.341 nan 8.370 nan 0.000 0.526 78 D N -0.354 120.071 120.400 0.043 0.000 2.501 78 D HA 0.085 4.713 4.640 -0.019 0.000 0.226 78 D C -0.222 176.106 176.300 0.045 0.000 1.198 78 D CA -0.379 53.652 54.000 0.051 0.000 0.830 78 D CB -0.294 40.549 40.800 0.072 0.000 1.014 78 D HN 0.185 nan 8.370 nan 0.000 0.496 79 E N -0.297 119.925 120.200 0.037 0.000 2.207 79 E HA 0.526 4.865 4.350 -0.019 0.000 0.270 79 E C -0.785 175.845 176.600 0.051 0.000 0.927 79 E CA -0.715 55.710 56.400 0.042 0.000 0.799 79 E CB 1.865 31.578 29.700 0.021 0.000 1.172 79 E HN -0.109 nan 8.360 nan 0.000 0.404 80 T N 2.115 116.717 114.554 0.079 0.000 2.841 80 T HA 0.282 4.621 4.350 -0.019 0.000 0.285 80 T C -0.945 173.826 174.700 0.118 0.000 0.991 80 T CA -0.658 61.499 62.100 0.095 0.000 0.966 80 T CB 0.725 69.652 68.868 0.099 0.000 0.962 80 T HN 0.199 nan 8.240 nan 0.000 0.438 81 L N 4.938 126.219 121.223 0.098 0.000 2.305 81 L HA 0.534 4.862 4.340 -0.019 0.000 0.281 81 L C -0.895 176.050 176.870 0.125 0.000 1.085 81 L CA -0.239 54.660 54.840 0.099 0.000 0.813 81 L CB 0.208 42.314 42.059 0.079 0.000 1.157 81 L HN 0.566 nan 8.230 nan 0.000 0.436 82 L N 6.289 127.602 121.223 0.150 0.000 2.275 82 L HA 0.478 4.806 4.340 -0.019 0.000 0.288 82 L C -0.641 176.291 176.870 0.103 0.000 1.046 82 L CA -0.806 54.114 54.840 0.133 0.000 0.805 82 L CB 1.483 43.650 42.059 0.181 0.000 1.193 82 L HN 0.355 nan 8.230 nan 0.000 0.426 83 V N 3.651 123.611 119.914 0.076 0.000 2.384 83 V HA 0.290 4.399 4.120 -0.019 0.000 0.287 83 V C -0.061 176.061 176.094 0.047 0.000 1.020 83 V CA -0.541 61.800 62.300 0.068 0.000 0.850 83 V CB 1.689 33.541 31.823 0.048 0.000 0.987 83 V HN 0.702 nan 8.190 nan 0.000 0.436 84 Q N 3.062 122.893 119.800 0.052 0.000 2.381 84 Q HA 0.291 4.620 4.340 -0.019 0.000 0.263 84 Q C 0.008 176.029 176.000 0.035 0.000 1.030 84 Q CA -0.247 55.580 55.803 0.040 0.000 0.772 84 Q CB 1.576 30.340 28.738 0.042 0.000 1.232 84 Q HN 0.873 nan 8.270 nan 0.000 0.476 85 S N 3.248 118.963 115.700 0.025 0.000 3.378 85 S HA -0.233 4.226 4.470 -0.019 0.000 0.365 85 S C 0.850 175.478 174.600 0.046 0.000 0.951 85 S CA 1.185 59.404 58.200 0.031 0.000 1.274 85 S CB -1.612 61.617 63.200 0.047 0.000 0.915 85 S HN 1.168 nan 8.310 nan 0.000 0.513 86 G N 0.184 109.017 108.800 0.055 0.000 2.153 86 G HA2 -0.325 3.624 3.960 -0.019 0.000 0.252 86 G HA3 -0.325 3.624 3.960 -0.019 0.000 0.252 86 G C -0.216 174.748 174.900 0.106 0.000 0.994 86 G CA 0.793 45.956 45.100 0.104 0.000 0.698 86 G HN 0.835 nan 8.290 nan 0.000 0.521 87 K N 0.857 121.306 120.400 0.082 0.000 2.345 87 K HA 0.568 4.877 4.320 -0.019 0.000 0.255 87 K C -2.706 173.939 176.600 0.076 0.000 0.934 87 K CA -2.445 53.884 56.287 0.070 0.000 0.801 87 K CB 2.556 35.084 32.500 0.048 0.000 1.137 87 K HN -0.028 nan 8.250 nan 0.000 0.424 88 P HA 0.036 nan 4.420 nan 0.000 0.280 88 P C 0.520 177.849 177.300 0.048 0.000 1.386 88 P CA -0.357 62.783 63.100 0.065 0.000 0.899 88 P CB 0.852 32.579 31.700 0.044 0.000 1.098 89 V N 1.643 121.595 119.914 0.065 0.000 3.125 89 V HA 0.521 4.630 4.120 -0.019 0.000 0.249 89 V C 0.765 176.899 176.094 0.067 0.000 1.113 89 V CA 0.792 63.130 62.300 0.064 0.000 1.106 89 V CB -0.354 31.515 31.823 0.077 0.000 0.768 89 V HN 0.512 nan 8.190 nan 0.000 0.468 90 G N -0.757 108.091 108.800 0.081 0.000 2.703 90 G HA2 0.575 4.524 3.960 -0.019 0.000 0.294 90 G HA3 0.575 4.524 3.960 -0.019 0.000 0.294 90 G C -1.912 172.942 174.900 -0.077 0.000 1.451 90 G CA -0.356 44.735 45.100 -0.014 0.000 0.869 90 G HN 0.197 nan 8.290 nan 0.000 0.516 91 V N 0.979 120.667 119.914 -0.377 0.000 2.487 91 V HA 0.714 4.822 4.120 -0.019 0.000 0.298 91 V C -1.036 174.752 176.094 -0.510 0.000 1.028 91 V CA -0.533 61.619 62.300 -0.247 0.000 0.860 91 V CB 1.042 32.772 31.823 -0.156 0.000 0.991 91 V HN 0.593 nan 8.190 nan 0.000 0.427 92 F N 2.319 122.278 119.950 0.015 0.000 2.577 92 F HA 0.541 5.056 4.527 -0.019 0.000 0.318 92 F C 0.204 176.015 175.800 0.019 0.000 1.065 92 F CA -0.961 57.049 58.000 0.017 0.000 0.929 92 F CB 2.061 41.071 39.000 0.017 0.000 1.237 92 F HN 0.273 nan 8.300 nan 0.000 0.468 93 K N 1.133 121.653 120.400 0.200 0.000 2.339 93 K HA 0.380 4.689 4.320 -0.019 0.000 0.286 93 K C 0.130 176.814 176.600 0.140 0.000 1.050 93 K CA 0.231 56.597 56.287 0.132 0.000 0.956 93 K CB 0.676 33.239 32.500 0.105 0.000 0.990 93 K HN 0.912 nan 8.250 nan 0.000 0.475 94 T N 0.672 115.292 114.554 0.111 0.000 1.832 94 T HA 0.339 4.677 4.350 -0.019 0.000 0.171 94 T C -0.450 174.354 174.700 0.173 0.000 0.718 94 T CA -0.322 61.847 62.100 0.115 0.000 0.980 94 T CB 0.094 68.968 68.868 0.009 0.000 3.173 94 T HN 0.849 nan 8.240 nan 0.000 0.399 95 H N -1.226 117.878 119.070 0.057 0.000 2.932 95 H HA 0.646 5.191 4.556 -0.018 0.000 0.307 95 H C 0.719 176.080 175.328 0.055 0.000 1.391 95 H CA -0.246 55.831 56.048 0.049 0.000 1.130 95 H CB 0.661 30.447 29.762 0.040 0.000 1.836 95 H HN 0.417 nan 8.280 nan 0.000 0.522 96 S N -0.561 115.222 115.700 0.137 0.000 2.481 96 S HA -0.084 4.374 4.470 -0.019 0.000 0.231 96 S C 0.581 175.219 174.600 0.065 0.000 0.996 96 S CA 0.855 59.102 58.200 0.077 0.000 0.942 96 S CB -0.330 62.932 63.200 0.102 0.000 0.768 96 S HN 0.640 nan 8.310 nan 0.000 0.520 97 N N 1.736 120.531 118.700 0.158 0.000 2.268 97 N HA 0.392 5.121 4.740 -0.019 0.000 0.204 97 N C 0.241 175.723 175.510 -0.047 0.000 1.124 97 N CA 0.373 53.501 53.050 0.130 0.000 0.838 97 N CB 0.632 39.282 38.487 0.272 0.000 0.994 97 N HN 0.569 nan 8.380 nan 0.000 0.489 98 A N 1.449 124.006 122.820 -0.437 0.000 2.252 98 A HA 0.630 4.939 4.320 -0.019 0.000 0.305 98 A C -2.370 175.151 177.584 -0.105 0.000 1.097 98 A CA -1.347 50.492 52.037 -0.330 0.000 0.849 98 A CB 0.230 18.888 19.000 -0.570 0.000 1.142 98 A HN -0.104 nan 8.150 nan 0.000 0.499 99 P HA 0.173 nan 4.420 nan 0.000 0.271 99 P C 0.344 177.688 177.300 0.074 0.000 1.218 99 P CA -0.267 62.872 63.100 0.066 0.000 0.780 99 P CB 0.485 32.240 31.700 0.092 0.000 0.901 100 R N 0.888 121.469 120.500 0.135 0.000 2.193 100 R HA 0.104 4.433 4.340 -0.019 0.000 0.213 100 R C 0.055 176.433 176.300 0.129 0.000 1.055 100 R CA 0.768 56.940 56.100 0.120 0.000 0.995 100 R CB -0.173 30.210 30.300 0.137 0.000 0.893 100 R HN 0.325 nan 8.270 nan 0.000 0.459 101 V N 1.738 121.760 119.914 0.180 0.000 2.686 101 V HA 0.390 4.499 4.120 -0.019 0.000 0.306 101 V C -0.502 175.683 176.094 0.151 0.000 1.065 101 V CA -0.780 61.610 62.300 0.151 0.000 0.894 101 V CB 2.658 34.557 31.823 0.127 0.000 1.004 101 V HN -0.029 nan 8.190 nan 0.000 0.424 102 L N 5.477 126.760 121.223 0.101 0.000 2.333 102 L HA 0.666 4.995 4.340 -0.019 0.000 0.280 102 L C -0.879 176.020 176.870 0.049 0.000 1.004 102 L CA -0.356 54.530 54.840 0.077 0.000 0.820 102 L CB 1.883 43.979 42.059 0.062 0.000 1.247 102 L HN 0.487 nan 8.230 nan 0.000 0.416 103 I N 2.818 123.411 120.570 0.039 0.000 2.465 103 I HA 0.691 4.850 4.170 -0.019 0.000 0.291 103 I C -0.241 175.922 176.117 0.076 0.000 1.014 103 I CA -0.552 60.758 61.300 0.017 0.000 1.093 103 I CB 2.146 40.111 38.000 -0.059 0.000 1.267 103 I HN 0.639 nan 8.210 nan 0.000 0.431 104 A N 5.678 128.536 122.820 0.063 0.000 2.385 104 A HA 0.705 5.013 4.320 -0.019 0.000 0.290 104 A C -1.195 176.410 177.584 0.035 0.000 1.094 104 A CA -0.667 51.419 52.037 0.081 0.000 0.729 104 A CB 0.802 19.832 19.000 0.050 0.000 1.194 104 A HN 0.659 nan 8.150 nan 0.000 0.442 105 N N 0.780 119.470 118.700 -0.016 0.000 2.314 105 N HA 0.534 5.263 4.740 -0.019 0.000 0.294 105 N C 0.091 175.578 175.510 -0.037 0.000 1.029 105 N CA 0.224 53.191 53.050 -0.139 0.000 0.845 105 N CB 1.732 39.906 38.487 -0.522 0.000 1.321 105 N HN 0.680 nan 8.380 nan 0.000 0.481 106 S N -0.180 115.580 115.700 0.101 0.000 3.228 106 S HA -0.172 4.287 4.470 -0.019 0.000 0.282 106 S C -0.027 174.761 174.600 0.314 0.000 1.286 106 S CA 0.210 58.570 58.200 0.266 0.000 1.066 106 S CB -1.522 61.855 63.200 0.296 0.000 1.277 106 S HN 0.677 nan 8.310 nan 0.000 0.661 107 N N 1.441 120.244 118.700 0.172 0.000 2.475 107 N HA 0.455 5.184 4.740 -0.019 0.000 0.267 107 N C -0.324 175.200 175.510 0.023 0.000 1.169 107 N CA 0.451 53.545 53.050 0.074 0.000 0.947 107 N CB 0.555 39.056 38.487 0.023 0.000 1.061 107 N HN 0.426 nan 8.380 nan 0.000 0.466 108 L N 1.693 122.845 121.223 -0.119 0.000 2.386 108 L HA 0.377 4.705 4.340 -0.019 0.000 0.271 108 L C 0.047 176.868 176.870 -0.082 0.000 0.993 108 L CA -1.181 53.639 54.840 -0.032 0.000 0.819 108 L CB 2.181 44.301 42.059 0.102 0.000 1.294 108 L HN 0.101 nan 8.230 nan 0.000 0.414 109 V N 4.027 123.954 119.914 0.022 0.000 2.644 109 V HA -0.060 4.049 4.120 -0.019 0.000 0.305 109 V C -1.322 174.869 176.094 0.162 0.000 1.053 109 V CA -0.354 62.001 62.300 0.091 0.000 1.186 109 V CB 0.731 32.635 31.823 0.134 0.000 0.895 109 V HN 0.710 nan 8.190 nan 0.000 0.490 110 P HA -0.184 nan 4.420 nan 0.000 0.216 110 P C 1.611 178.908 177.300 -0.004 0.000 1.153 110 P CA 1.373 64.467 63.100 -0.010 0.000 0.858 110 P CB 0.074 31.757 31.700 -0.029 0.000 0.789 111 H N -2.140 116.866 119.070 -0.107 0.000 2.489 111 H HA -0.095 4.450 4.556 -0.019 0.000 0.293 111 H C 0.952 175.936 175.328 -0.574 0.000 1.066 111 H CA 1.314 57.093 56.048 -0.449 0.000 1.305 111 H CB -0.358 28.901 29.762 -0.837 0.000 1.386 111 H HN 0.260 nan 8.280 nan 0.000 0.551 112 W N -0.161 121.050 121.300 -0.148 0.000 3.123 112 W HA 0.473 5.121 4.660 -0.019 0.000 0.383 112 W C 0.272 176.725 176.519 -0.109 0.000 1.102 112 W CA 0.105 57.302 57.345 -0.248 0.000 1.865 112 W CB 0.044 29.249 29.460 -0.425 0.000 1.111 112 W HN 0.167 nan 8.180 nan 0.000 0.621 113 A N 2.813 125.661 122.820 0.047 0.000 2.922 113 A HA 0.320 4.629 4.320 -0.019 0.000 0.298 113 A C -0.120 177.473 177.584 0.015 0.000 1.588 113 A CA 0.146 52.222 52.037 0.065 0.000 1.288 113 A CB -1.288 17.679 19.000 -0.054 0.000 1.130 113 A HN 0.382 nan 8.150 nan 0.000 0.557 114 N N -1.640 117.090 118.700 0.050 0.000 2.708 114 N HA 0.353 5.082 4.740 -0.019 0.000 0.257 114 N C -0.023 175.519 175.510 0.054 0.000 1.373 114 N CA -0.972 52.073 53.050 -0.008 0.000 0.843 114 N CB 0.339 38.846 38.487 0.033 0.000 1.503 114 N HN 0.233 nan 8.380 nan 0.000 0.504 115 W N -0.128 121.245 121.300 0.121 0.000 2.374 115 W HA -0.011 4.638 4.660 -0.019 0.000 0.288 115 W C 1.376 177.998 176.519 0.172 0.000 1.218 115 W CA 0.638 58.046 57.345 0.105 0.000 1.245 115 W CB 0.080 29.539 29.460 -0.001 0.000 1.126 115 W HN 0.659 nan 8.180 nan 0.000 0.545 116 E N -1.005 119.410 120.200 0.358 0.000 2.077 116 E HA -0.263 4.076 4.350 -0.019 0.000 0.193 116 E C 1.644 178.406 176.600 0.269 0.000 0.989 116 E CA 1.744 58.304 56.400 0.267 0.000 0.800 116 E CB -0.643 29.174 29.700 0.194 0.000 0.746 116 E HN 0.345 nan 8.360 nan 0.000 0.452 117 H N -1.023 118.171 119.070 0.207 0.000 2.395 117 H HA -0.038 4.507 4.556 -0.019 0.000 0.299 117 H C 1.674 177.120 175.328 0.196 0.000 1.070 117 H CA 1.254 57.420 56.048 0.196 0.000 1.356 117 H CB -0.239 29.663 29.762 0.233 0.000 1.401 117 H HN 0.199 nan 8.280 nan 0.000 0.524 118 F N 1.088 121.119 119.950 0.135 0.000 2.091 118 F HA -0.269 4.247 4.527 -0.018 0.000 0.299 118 F C 1.885 177.732 175.800 0.078 0.000 1.103 118 F CA 1.799 59.856 58.000 0.095 0.000 1.228 118 F CB -0.350 38.729 39.000 0.131 0.000 0.984 118 F HN 0.170 nan 8.300 nan 0.000 0.477 119 N N 0.624 119.518 118.700 0.323 0.000 2.244 119 N HA -0.139 4.590 4.740 -0.019 0.000 0.183 119 N C 1.741 177.245 175.510 -0.011 0.000 1.016 119 N CA 1.422 54.582 53.050 0.184 0.000 0.866 119 N CB -0.435 38.192 38.487 0.233 0.000 0.980 119 N HN 0.533 nan 8.380 nan 0.000 0.430 120 E N 0.663 120.833 120.200 -0.051 0.000 2.051 120 E HA -0.100 4.238 4.350 -0.019 0.000 0.192 120 E C 1.957 178.440 176.600 -0.195 0.000 0.991 120 E CA 0.695 57.026 56.400 -0.115 0.000 0.799 120 E CB -0.117 29.498 29.700 -0.141 0.000 0.748 120 E HN 0.295 nan 8.360 nan 0.000 0.449 121 L N 0.965 121.996 121.223 -0.320 0.000 2.093 121 L HA -0.182 4.147 4.340 -0.019 0.000 0.208 121 L C 2.359 179.064 176.870 -0.275 0.000 1.085 121 L CA 0.853 55.509 54.840 -0.307 0.000 0.755 121 L CB -0.281 41.559 42.059 -0.365 0.000 0.904 121 L HN 0.113 nan 8.230 nan 0.000 0.435 122 D N 0.336 120.524 120.400 -0.354 0.000 2.117 122 D HA -0.174 4.455 4.640 -0.019 0.000 0.197 122 D C 2.163 178.393 176.300 -0.117 0.000 0.987 122 D CA 1.430 55.269 54.000 -0.269 0.000 0.829 122 D CB 0.163 40.812 40.800 -0.252 0.000 0.961 122 D HN 0.239 nan 8.370 nan 0.000 0.460 123 A N 0.218 122.987 122.820 -0.085 0.000 2.070 123 A HA -0.148 4.161 4.320 -0.019 0.000 0.220 123 A C 1.975 179.533 177.584 -0.043 0.000 1.159 123 A CA 1.201 53.213 52.037 -0.042 0.000 0.656 123 A CB -0.329 18.654 19.000 -0.028 0.000 0.800 123 A HN 0.227 nan 8.150 nan 0.000 0.453 124 K N -1.387 118.973 120.400 -0.068 0.000 2.404 124 K HA 0.256 4.565 4.320 -0.019 0.000 0.194 124 K C 0.933 177.504 176.600 -0.049 0.000 1.023 124 K CA 0.418 56.672 56.287 -0.054 0.000 1.094 124 K CB 0.026 32.486 32.500 -0.066 0.000 0.841 124 K HN 0.601 nan 8.250 nan 0.000 0.523 125 G N 1.409 110.177 108.800 -0.053 0.000 2.147 125 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.244 125 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.244 125 G C 0.414 175.281 174.900 -0.054 0.000 1.005 125 G CA -0.041 45.037 45.100 -0.038 0.000 0.713 125 G HN 0.306 nan 8.290 nan 0.000 0.515 126 L N -0.435 120.731 121.223 -0.095 0.000 2.728 126 L HA 0.648 4.976 4.340 -0.019 0.000 0.238 126 L C 1.156 177.948 176.870 -0.130 0.000 1.143 126 L CA 0.589 55.371 54.840 -0.095 0.000 0.937 126 L CB 0.346 42.344 42.059 -0.103 0.000 1.225 126 L HN 0.532 nan 8.230 nan 0.000 0.507 127 A N 0.759 123.470 122.820 -0.181 0.000 2.539 127 A HA 0.846 5.155 4.320 -0.019 0.000 0.296 127 A C -1.081 176.455 177.584 -0.080 0.000 1.073 127 A CA -0.415 51.465 52.037 -0.261 0.000 0.700 127 A CB 2.421 20.931 19.000 -0.817 0.000 1.296 127 A HN 0.042 nan 8.150 nan 0.000 0.405 128 M N 1.559 121.241 119.600 0.137 0.000 2.325 128 M HA 0.362 4.831 4.480 -0.019 0.000 0.285 128 M C -2.344 174.279 176.300 0.538 0.000 1.119 128 M CA -0.528 54.967 55.300 0.325 0.000 0.959 128 M CB 1.722 34.415 32.600 0.155 0.000 1.737 128 M HN 0.853 nan 8.290 nan 0.000 0.486 129 Y N 3.258 123.815 120.300 0.430 0.000 2.365 129 Y HA 0.523 5.061 4.550 -0.019 0.000 0.340 129 Y C 0.787 176.702 175.900 0.025 0.000 1.016 129 Y CA 0.362 58.562 58.100 0.168 0.000 1.196 129 Y CB 1.548 40.049 38.460 0.069 0.000 1.167 129 Y HN 0.810 nan 8.280 nan 0.000 0.509 130 G N 4.124 112.748 108.800 -0.293 0.000 2.880 130 G HA2 0.012 3.961 3.960 -0.019 0.000 0.209 130 G HA3 0.012 3.961 3.960 -0.019 0.000 0.209 130 G C 0.518 175.140 174.900 -0.463 0.000 1.157 130 G CA 0.167 45.002 45.100 -0.440 0.000 0.779 130 G HN 0.684 nan 8.290 nan 0.000 0.539 131 Q N -1.234 117.952 119.800 -1.022 0.000 1.640 131 Q HA -0.297 4.032 4.340 -0.019 0.000 0.401 131 Q C 1.754 177.683 176.000 -0.119 0.000 0.902 131 Q CA 1.827 57.153 55.803 -0.796 0.000 0.738 131 Q CB -1.164 26.988 28.738 -0.976 0.000 4.166 131 Q HN 0.401 nan 8.270 nan 0.000 0.686 132 M N -1.042 118.508 119.600 -0.084 0.000 2.530 132 M HA -0.021 4.448 4.480 -0.019 0.000 0.245 132 M C 1.942 177.954 176.300 -0.480 0.000 1.198 132 M CA 1.798 56.880 55.300 -0.363 0.000 1.225 132 M CB -0.124 32.293 32.600 -0.304 0.000 1.232 132 M HN 0.754 nan 8.290 nan 0.000 0.494 133 T N -1.794 112.769 114.554 0.015 0.000 3.086 133 T HA 0.389 4.728 4.350 -0.019 0.000 0.250 133 T C 1.517 176.410 174.700 0.323 0.000 1.074 133 T CA 0.406 62.609 62.100 0.171 0.000 0.988 133 T CB -0.004 69.023 68.868 0.264 0.000 0.988 133 T HN 0.234 nan 8.240 nan 0.000 0.530 134 A N 2.028 125.009 122.820 0.269 0.000 1.855 134 A HA 0.342 4.650 4.320 -0.019 0.000 0.215 134 A C 2.517 180.231 177.584 0.217 0.000 1.191 134 A CA 1.325 53.456 52.037 0.156 0.000 0.613 134 A CB -1.383 17.514 19.000 -0.171 0.000 0.829 134 A HN 0.580 nan 8.150 nan 0.000 0.442 135 G N -0.916 107.972 108.800 0.146 0.000 2.813 135 G HA2 0.146 4.095 3.960 -0.019 0.000 0.209 135 G HA3 0.146 4.095 3.960 -0.019 0.000 0.209 135 G C 1.211 176.040 174.900 -0.119 0.000 1.150 135 G CA 1.267 46.415 45.100 0.079 0.000 0.785 135 G HN 0.904 nan 8.290 nan 0.000 0.535 136 S N -1.881 113.840 115.700 0.035 0.000 2.650 136 S HA 0.191 4.650 4.470 -0.019 0.000 0.240 136 S C 0.252 174.995 174.600 0.238 0.000 1.007 136 S CA -0.399 57.745 58.200 -0.092 0.000 0.984 136 S CB -0.242 63.041 63.200 0.139 0.000 0.910 136 S HN 0.442 nan 8.310 nan 0.000 0.509 137 W N 0.244 121.775 121.300 0.384 0.000 5.158 137 W HA -0.145 4.503 4.660 -0.020 0.000 0.393 137 W C -0.126 176.685 176.519 0.487 0.000 1.508 137 W CA -0.310 57.261 57.345 0.377 0.000 0.901 137 W CB -2.524 27.078 29.460 0.236 0.000 2.676 137 W HN 0.491 nan 8.180 nan 0.000 1.392 138 I N -0.483 120.416 120.570 0.548 0.000 3.554 138 I HA 0.219 4.378 4.170 -0.019 0.000 0.321 138 I C -0.218 176.081 176.117 0.304 0.000 1.484 138 I CA -1.367 60.164 61.300 0.386 0.000 0.975 138 I CB -0.320 37.843 38.000 0.273 0.000 1.528 138 I HN -0.032 nan 8.210 nan 0.000 0.609 139 Y N 2.914 123.339 120.300 0.208 0.000 2.319 139 Y HA 0.485 5.023 4.550 -0.019 0.000 0.328 139 Y C 0.985 176.944 175.900 0.098 0.000 1.133 139 Y CA -0.161 58.007 58.100 0.114 0.000 1.265 139 Y CB 0.875 39.428 38.460 0.156 0.000 1.218 139 Y HN 0.269 nan 8.280 nan 0.000 0.508 140 I N 3.640 123.959 120.570 -0.418 0.000 3.176 140 I HA 0.660 4.819 4.170 -0.019 0.000 0.339 140 I C 0.573 176.431 176.117 -0.431 0.000 1.505 140 I CA -0.085 61.057 61.300 -0.263 0.000 0.969 140 I CB -0.072 37.847 38.000 -0.134 0.000 1.636 140 I HN 0.837 nan 8.210 nan 0.000 0.523 141 G N 1.764 110.053 108.800 -0.852 0.000 2.598 141 G HA2 -0.285 3.663 3.960 -0.019 0.000 0.244 141 G HA3 -0.285 3.663 3.960 -0.019 0.000 0.244 141 G C 0.411 174.920 174.900 -0.652 0.000 1.302 141 G CA 0.096 44.850 45.100 -0.576 0.000 0.903 141 G HN 0.346 nan 8.290 nan 0.000 0.575 142 S N -0.094 115.330 115.700 -0.460 0.000 2.515 142 S HA -0.066 4.393 4.470 -0.019 0.000 0.231 142 S C 2.058 176.518 174.600 -0.233 0.000 0.987 142 S CA 1.640 59.547 58.200 -0.488 0.000 0.936 142 S CB -0.018 62.555 63.200 -1.045 0.000 0.766 142 S HN 0.659 nan 8.310 nan 0.000 0.528 143 Q N 1.154 120.906 119.800 -0.080 0.000 2.226 143 Q HA -0.098 4.230 4.340 -0.019 0.000 0.204 143 Q C 2.181 178.202 176.000 0.035 0.000 0.975 143 Q CA 1.324 57.184 55.803 0.095 0.000 0.866 143 Q CB -0.462 28.340 28.738 0.107 0.000 0.915 143 Q HN 0.602 nan 8.270 nan 0.000 0.440 144 G N 1.040 109.772 108.800 -0.113 0.000 2.442 144 G HA2 -0.250 3.699 3.960 -0.019 0.000 0.219 144 G HA3 -0.250 3.699 3.960 -0.019 0.000 0.219 144 G C 1.299 176.234 174.900 0.059 0.000 1.141 144 G CA 0.748 45.809 45.100 -0.065 0.000 0.763 144 G HN 0.472 nan 8.290 nan 0.000 0.554 145 I N -0.296 120.298 120.570 0.040 0.000 3.941 145 I HA 0.189 4.348 4.170 -0.019 0.000 0.321 145 I C 2.288 178.491 176.117 0.144 0.000 1.284 145 I CA 0.011 61.386 61.300 0.124 0.000 1.226 145 I CB 0.423 38.472 38.000 0.082 0.000 1.045 145 I HN 0.048 nan 8.210 nan 0.000 0.420 146 V N 0.799 120.808 119.914 0.159 0.000 2.407 146 V HA -0.301 3.808 4.120 -0.019 0.000 0.248 146 V C 2.181 178.353 176.094 0.130 0.000 1.055 146 V CA 2.406 64.834 62.300 0.214 0.000 1.049 146 V CB -0.220 31.823 31.823 0.367 0.000 0.662 146 V HN 0.577 nan 8.190 nan 0.000 0.455 147 Q N -0.545 119.240 119.800 -0.025 0.000 2.172 147 Q HA -0.080 4.249 4.340 -0.019 0.000 0.200 147 Q C 2.093 177.681 176.000 -0.687 0.000 0.964 147 Q CA 1.622 57.035 55.803 -0.651 0.000 0.855 147 Q CB -0.411 27.653 28.738 -1.123 0.000 0.918 147 Q HN 0.707 nan 8.270 nan 0.000 0.444 148 G N -0.504 108.040 108.800 -0.427 0.000 2.408 148 G HA2 -0.202 3.747 3.960 -0.019 0.000 0.217 148 G HA3 -0.202 3.747 3.960 -0.019 0.000 0.217 148 G C 1.309 176.052 174.900 -0.263 0.000 1.150 148 G CA 1.187 45.990 45.100 -0.494 0.000 0.776 148 G HN 0.340 nan 8.290 nan 0.000 0.542 149 T N -0.099 114.373 114.554 -0.136 0.000 2.777 149 T HA -0.146 4.193 4.350 -0.019 0.000 0.266 149 T C 1.953 176.370 174.700 -0.472 0.000 1.040 149 T CA 1.231 63.110 62.100 -0.368 0.000 1.141 149 T CB -0.326 68.366 68.868 -0.293 0.000 0.868 149 T HN 0.392 nan 8.240 nan 0.000 0.444 150 Y N 2.364 122.488 120.300 -0.293 0.000 2.145 150 Y HA -0.146 4.394 4.550 -0.017 0.000 0.286 150 Y C 2.367 178.135 175.900 -0.221 0.000 1.145 150 Y CA 1.391 59.413 58.100 -0.130 0.000 1.148 150 Y CB -0.226 38.220 38.460 -0.024 0.000 0.981 150 Y HN 0.051 nan 8.280 nan 0.000 0.507 151 E N -0.359 119.558 120.200 -0.472 0.000 2.153 151 E HA -0.143 4.195 4.350 -0.019 0.000 0.194 151 E C 2.158 178.492 176.600 -0.444 0.000 0.988 151 E CA 1.579 57.653 56.400 -0.543 0.000 0.811 151 E CB -0.489 28.822 29.700 -0.648 0.000 0.746 151 E HN 0.533 nan 8.360 nan 0.000 0.466 152 T N 1.068 115.371 114.554 -0.419 0.000 2.737 152 T HA -0.098 4.240 4.350 -0.019 0.000 0.265 152 T C 1.586 176.001 174.700 -0.476 0.000 1.038 152 T CA 0.937 62.797 62.100 -0.400 0.000 1.144 152 T CB -0.273 68.379 68.868 -0.360 0.000 0.866 152 T HN 0.052 nan 8.240 nan 0.000 0.434 153 F N 1.105 120.843 119.950 -0.352 0.000 2.186 153 F HA -0.015 4.498 4.527 -0.023 0.000 0.299 153 F C 2.490 178.092 175.800 -0.330 0.000 1.090 153 F CA -0.282 57.540 58.000 -0.298 0.000 1.307 153 F CB -1.391 37.511 39.000 -0.165 0.000 1.019 153 F HN -0.028 nan 8.300 nan 0.000 0.489 154 V N -0.032 119.733 119.914 -0.248 0.000 2.295 154 V HA -0.278 3.831 4.120 -0.019 0.000 0.246 154 V C 2.436 178.387 176.094 -0.238 0.000 1.049 154 V CA 2.199 64.328 62.300 -0.284 0.000 1.024 154 V CB -0.548 30.991 31.823 -0.473 0.000 0.648 154 V HN 0.220 nan 8.190 nan 0.000 0.447 155 E N 0.682 120.703 120.200 -0.298 0.000 2.106 155 E HA -0.129 4.210 4.350 -0.019 0.000 0.192 155 E C 2.089 178.497 176.600 -0.321 0.000 0.984 155 E CA 1.509 57.757 56.400 -0.254 0.000 0.806 155 E CB -0.467 29.116 29.700 -0.196 0.000 0.750 155 E HN 0.494 nan 8.360 nan 0.000 0.458 156 A N 0.298 122.754 122.820 -0.607 0.000 1.940 156 A HA -0.067 4.242 4.320 -0.019 0.000 0.219 156 A C 2.459 179.982 177.584 -0.101 0.000 1.176 156 A CA 1.804 53.501 52.037 -0.567 0.000 0.631 156 A CB -1.371 17.196 19.000 -0.721 0.000 0.814 156 A HN 0.421 nan 8.150 nan 0.000 0.446 157 G N -0.686 108.092 108.800 -0.037 0.000 2.418 157 G HA2 -0.219 3.730 3.960 -0.019 0.000 0.217 157 G HA3 -0.219 3.730 3.960 -0.019 0.000 0.217 157 G C 1.769 176.680 174.900 0.018 0.000 1.158 157 G CA 0.871 46.033 45.100 0.104 0.000 0.771 157 G HN 0.566 nan 8.290 nan 0.000 0.545 158 R N -0.150 120.309 120.500 -0.069 0.000 2.096 158 R HA -0.027 4.302 4.340 -0.019 0.000 0.235 158 R C 2.799 179.025 176.300 -0.123 0.000 1.127 158 R CA 1.406 57.458 56.100 -0.080 0.000 0.968 158 R CB -0.223 30.017 30.300 -0.100 0.000 0.861 158 R HN 0.440 nan 8.270 nan 0.000 0.440 159 Q N -1.066 118.606 119.800 -0.214 0.000 2.187 159 Q HA -0.081 4.247 4.340 -0.019 0.000 0.199 159 Q C 1.428 177.177 176.000 -0.417 0.000 0.957 159 Q CA 0.925 56.524 55.803 -0.339 0.000 0.857 159 Q CB 0.296 28.741 28.738 -0.489 0.000 0.929 159 Q HN 0.562 nan 8.270 nan 0.000 0.453 160 H N -2.585 116.345 119.070 -0.234 0.000 2.788 160 H HA 0.098 4.643 4.556 -0.019 0.000 0.262 160 H C 0.346 175.299 175.328 -0.626 0.000 0.968 160 H CA 0.676 56.402 56.048 -0.536 0.000 1.218 160 H CB 0.737 29.957 29.762 -0.904 0.000 1.443 160 H HN 0.206 nan 8.280 nan 0.000 0.478 161 Y N -0.306 120.040 120.300 0.076 0.000 2.717 161 Y HA 0.379 4.918 4.550 -0.017 0.000 0.250 161 Y C 1.445 177.353 175.900 0.013 0.000 1.149 161 Y CA 0.043 58.167 58.100 0.041 0.000 1.211 161 Y CB 1.035 39.513 38.460 0.029 0.000 1.289 161 Y HN 0.282 nan 8.280 nan 0.000 0.552 162 G N -0.209 108.648 108.800 0.096 0.000 2.143 162 G HA2 0.019 3.968 3.960 -0.019 0.000 0.249 162 G HA3 0.019 3.968 3.960 -0.019 0.000 0.249 162 G C 0.999 175.927 174.900 0.046 0.000 0.981 162 G CA 0.525 45.659 45.100 0.057 0.000 0.665 162 G HN 1.210 nan 8.290 nan 0.000 0.528 163 G N -0.628 108.201 108.800 0.048 0.000 3.355 163 G HA2 -0.034 3.915 3.960 -0.019 0.000 0.247 163 G HA3 -0.034 3.915 3.960 -0.019 0.000 0.247 163 G C 1.488 176.410 174.900 0.038 0.000 1.818 163 G CA 1.614 46.728 45.100 0.025 0.000 1.309 163 G HN 1.901 nan 8.290 nan 0.000 0.546 164 S N 0.835 116.559 115.700 0.039 0.000 2.413 164 S HA -0.142 4.317 4.470 -0.019 0.000 0.237 164 S C 2.080 176.694 174.600 0.023 0.000 1.044 164 S CA 2.472 60.694 58.200 0.037 0.000 1.024 164 S CB -0.444 62.777 63.200 0.034 0.000 0.829 164 S HN 1.604 nan 8.310 nan 0.000 0.475 165 L N -1.853 119.375 121.223 0.008 0.000 5.081 165 L HA -0.227 4.102 4.340 -0.019 0.000 0.423 165 L C 0.633 177.466 176.870 -0.062 0.000 1.019 165 L CA 0.948 55.756 54.840 -0.054 0.000 1.223 165 L CB -2.041 39.980 42.059 -0.064 0.000 1.940 165 L HN 0.411 nan 8.230 nan 0.000 0.675 166 K N 1.434 121.818 120.400 -0.027 0.000 2.504 166 K HA 0.180 4.489 4.320 -0.019 0.000 0.278 166 K C 1.371 177.949 176.600 -0.036 0.000 1.025 166 K CA 1.257 57.531 56.287 -0.022 0.000 1.093 166 K CB 0.183 32.678 32.500 -0.008 0.000 0.873 166 K HN 0.364 nan 8.250 nan 0.000 0.483 167 G N 2.854 111.639 108.800 -0.025 0.000 2.176 167 G HA2 -0.206 3.743 3.960 -0.019 0.000 0.253 167 G HA3 -0.206 3.743 3.960 -0.019 0.000 0.253 167 G C -0.346 174.538 174.900 -0.027 0.000 0.979 167 G CA 0.224 45.313 45.100 -0.020 0.000 0.641 167 G HN 0.542 nan 8.290 nan 0.000 0.530 168 K N -0.062 120.299 120.400 -0.065 0.000 2.238 168 K HA 0.732 5.040 4.320 -0.019 0.000 0.239 168 K C 0.020 176.644 176.600 0.041 0.000 0.987 168 K CA -0.544 55.671 56.287 -0.120 0.000 0.857 168 K CB 1.793 34.069 32.500 -0.373 0.000 1.154 168 K HN 0.574 nan 8.250 nan 0.000 0.439 169 W N -0.486 120.674 121.300 -0.233 0.000 3.033 169 W HA 0.549 5.197 4.660 -0.021 0.000 0.336 169 W C -1.316 175.056 176.519 -0.245 0.000 1.173 169 W CA -1.059 56.161 57.345 -0.209 0.000 1.185 169 W CB -0.027 29.341 29.460 -0.154 0.000 1.425 169 W HN 0.035 nan 8.180 nan 0.000 0.536 170 V N 3.890 123.698 119.914 -0.177 0.000 2.472 170 V HA 0.375 4.483 4.120 -0.019 0.000 0.290 170 V C -0.405 175.566 176.094 -0.204 0.000 1.037 170 V CA -0.776 61.309 62.300 -0.358 0.000 0.908 170 V CB 1.381 32.907 31.823 -0.495 0.000 0.985 170 V HN 0.433 nan 8.190 nan 0.000 0.454 171 L N 4.680 125.685 121.223 -0.362 0.000 2.313 171 L HA 0.857 5.186 4.340 -0.019 0.000 0.283 171 L C -0.188 176.580 176.870 -0.170 0.000 1.013 171 L CA 0.912 55.625 54.840 -0.211 0.000 0.816 171 L CB 1.567 43.378 42.059 -0.414 0.000 1.236 171 L HN 0.876 nan 8.230 nan 0.000 0.419 172 T N 3.115 117.637 114.554 -0.053 0.000 2.665 172 T HA 0.930 5.269 4.350 -0.019 0.000 0.303 172 T C -1.790 172.930 174.700 0.034 0.000 1.334 172 T CA 0.081 62.169 62.100 -0.020 0.000 1.011 172 T CB 1.273 70.132 68.868 -0.014 0.000 1.573 172 T HN 1.018 nan 8.240 nan 0.000 0.492 173 A N -0.541 122.319 122.820 0.067 0.000 2.594 173 A HA 0.870 5.178 4.320 -0.019 0.000 0.291 173 A C 0.101 177.735 177.584 0.083 0.000 1.105 173 A CA -0.040 52.037 52.037 0.067 0.000 0.694 173 A CB 1.020 20.066 19.000 0.077 0.000 1.291 173 A HN 2.286 nan 8.150 nan 0.000 0.410 174 G N -0.515 108.318 108.800 0.055 0.000 3.269 174 G HA2 0.139 4.087 3.960 -0.019 0.000 0.668 174 G HA3 0.139 4.087 3.960 -0.019 0.000 0.668 174 G C -0.677 174.254 174.900 0.050 0.000 1.100 174 G CA -0.163 44.974 45.100 0.062 0.000 0.940 174 G HN 1.313 nan 8.290 nan 0.000 0.438 175 L N 2.851 124.088 121.223 0.023 0.000 3.030 175 L HA 0.462 4.791 4.340 -0.019 0.000 0.252 175 L C 1.534 178.398 176.870 -0.010 0.000 1.316 175 L CA -0.051 54.797 54.840 0.013 0.000 0.975 175 L CB 0.273 42.344 42.059 0.020 0.000 1.357 175 L HN 0.720 nan 8.230 nan 0.000 0.534 176 G N -0.457 108.349 108.800 0.011 0.000 2.504 176 G HA2 0.325 4.274 3.960 -0.019 0.000 0.257 176 G HA3 0.325 4.274 3.960 -0.019 0.000 0.257 176 G C 1.037 175.920 174.900 -0.027 0.000 1.451 176 G CA 0.290 45.402 45.100 0.020 0.000 1.059 176 G HN 0.317 nan 8.290 nan 0.000 0.550 177 G N -0.725 108.093 108.800 0.029 0.000 2.459 177 G HA2 -0.178 3.771 3.960 -0.019 0.000 0.217 177 G HA3 -0.178 3.771 3.960 -0.019 0.000 0.217 177 G C 1.673 176.557 174.900 -0.026 0.000 1.183 177 G CA 1.200 46.306 45.100 0.010 0.000 0.776 177 G HN 0.343 nan 8.290 nan 0.000 0.552 178 M N 0.638 120.270 119.600 0.054 0.000 2.357 178 M HA 0.125 4.594 4.480 -0.019 0.000 0.266 178 M C 2.858 179.183 176.300 0.043 0.000 1.095 178 M CA 1.128 56.440 55.300 0.020 0.000 1.156 178 M CB -0.975 31.662 32.600 0.062 0.000 1.365 178 M HN 0.287 nan 8.290 nan 0.000 0.447 179 G N 0.344 109.188 108.800 0.073 0.000 2.443 179 G HA2 -0.094 3.854 3.960 -0.019 0.000 0.219 179 G HA3 -0.094 3.854 3.960 -0.019 0.000 0.219 179 G C 1.516 176.437 174.900 0.035 0.000 1.131 179 G CA 0.898 46.047 45.100 0.083 0.000 0.775 179 G HN 0.550 nan 8.290 nan 0.000 0.547 180 G N 0.900 109.677 108.800 -0.037 0.000 2.479 180 G HA2 0.065 4.014 3.960 -0.019 0.000 0.220 180 G HA3 0.065 4.014 3.960 -0.019 0.000 0.220 180 G C 1.832 176.696 174.900 -0.061 0.000 1.115 180 G CA 1.246 46.294 45.100 -0.088 0.000 0.757 180 G HN 0.596 nan 8.290 nan 0.000 0.560 181 A N 0.097 122.881 122.820 -0.059 0.000 2.119 181 A HA 0.054 4.362 4.320 -0.019 0.000 0.217 181 A C 2.253 179.954 177.584 0.195 0.000 1.153 181 A CA 1.449 53.548 52.037 0.104 0.000 0.692 181 A CB -0.216 18.829 19.000 0.075 0.000 0.799 181 A HN 0.464 nan 8.150 nan 0.000 0.458 182 Q N -0.101 119.786 119.800 0.146 0.000 2.020 182 Q HA -0.134 4.195 4.340 -0.019 0.000 0.202 182 Q C -0.488 175.667 176.000 0.259 0.000 0.982 182 Q CA 1.792 57.721 55.803 0.209 0.000 0.838 182 Q CB -1.012 27.823 28.738 0.163 0.000 0.899 182 Q HN 0.544 nan 8.270 nan 0.000 0.423 183 P HA -0.192 nan 4.420 nan 0.000 0.215 183 P C 1.452 178.840 177.300 0.146 0.000 1.157 183 P CA 1.119 64.302 63.100 0.139 0.000 0.868 183 P CB -0.022 31.747 31.700 0.115 0.000 0.788 184 L N -0.131 121.204 121.223 0.187 0.000 2.109 184 L HA 0.046 4.375 4.340 -0.019 0.000 0.207 184 L C 2.512 179.487 176.870 0.175 0.000 1.086 184 L CA 1.809 56.715 54.840 0.110 0.000 0.760 184 L CB -1.594 40.478 42.059 0.021 0.000 0.910 184 L HN -0.110 nan 8.230 nan 0.000 0.437 185 A N -0.306 122.687 122.820 0.288 0.000 1.908 185 A HA -0.148 4.161 4.320 -0.019 0.000 0.218 185 A C 2.460 180.337 177.584 0.489 0.000 1.181 185 A CA 1.913 54.196 52.037 0.410 0.000 0.627 185 A CB -1.175 18.041 19.000 0.359 0.000 0.818 185 A HN 0.566 nan 8.150 nan 0.000 0.445 186 A N -1.191 121.851 122.820 0.370 0.000 1.877 186 A HA -0.089 4.220 4.320 -0.019 0.000 0.216 186 A C 2.317 179.934 177.584 0.055 0.000 1.186 186 A CA 2.315 54.366 52.037 0.023 0.000 0.620 186 A CB -1.335 17.517 19.000 -0.248 0.000 0.822 186 A HN 0.422 nan 8.150 nan 0.000 0.443 187 T N 0.598 115.193 114.554 0.069 0.000 2.684 187 T HA -0.125 4.214 4.350 -0.019 0.000 0.267 187 T C 1.767 176.511 174.700 0.073 0.000 1.036 187 T CA 1.613 63.733 62.100 0.034 0.000 1.148 187 T CB -0.421 68.447 68.868 -0.001 0.000 0.863 187 T HN 0.379 nan 8.240 nan 0.000 0.436 188 L N 0.581 121.885 121.223 0.136 0.000 2.201 188 L HA 0.005 4.334 4.340 -0.019 0.000 0.212 188 L C 2.762 179.854 176.870 0.371 0.000 1.105 188 L CA 0.893 55.828 54.840 0.159 0.000 0.775 188 L CB -0.532 41.556 42.059 0.049 0.000 0.913 188 L HN 0.224 nan 8.230 nan 0.000 0.440 189 A N -0.550 122.515 122.820 0.408 0.000 2.235 189 A HA 0.268 4.577 4.320 -0.019 0.000 0.208 189 A C 1.782 179.434 177.584 0.113 0.000 1.172 189 A CA 0.887 53.077 52.037 0.255 0.000 0.786 189 A CB -0.324 18.762 19.000 0.144 0.000 0.804 189 A HN 0.534 nan 8.150 nan 0.000 0.479 190 G N -2.535 106.315 108.800 0.083 0.000 2.179 190 G HA2 0.147 4.096 3.960 -0.019 0.000 0.220 190 G HA3 0.147 4.096 3.960 -0.019 0.000 0.220 190 G C 0.351 175.244 174.900 -0.011 0.000 0.990 190 G CA 0.140 45.257 45.100 0.028 0.000 0.646 190 G HN 1.531 nan 8.290 nan 0.000 0.517 191 A N -0.533 122.266 122.820 -0.035 0.000 2.295 191 A HA 0.728 5.037 4.320 -0.019 0.000 0.318 191 A C 0.900 178.465 177.584 -0.032 0.000 1.134 191 A CA 0.280 52.278 52.037 -0.066 0.000 0.827 191 A CB 0.794 19.695 19.000 -0.166 0.000 1.136 191 A HN 0.967 nan 8.150 nan 0.000 0.493 192 C N 1.066 120.377 119.300 0.019 0.000 2.563 192 C HA 0.715 5.164 4.460 -0.019 0.000 0.358 192 C C 0.995 176.031 174.990 0.077 0.000 1.336 192 C CA 0.195 59.247 59.018 0.057 0.000 2.454 192 C CB 0.377 28.174 27.740 0.095 0.000 2.448 192 C HN 1.041 nan 8.230 nan 0.000 0.670 193 S N 0.547 116.297 115.700 0.084 0.000 2.550 193 S HA 0.685 5.144 4.470 -0.019 0.000 0.270 193 S C -1.437 173.235 174.600 0.120 0.000 1.145 193 S CA -0.687 57.573 58.200 0.100 0.000 0.852 193 S CB 1.255 64.456 63.200 0.001 0.000 1.119 193 S HN 0.601 nan 8.310 nan 0.000 0.465 194 L N 2.225 123.558 121.223 0.184 0.000 2.325 194 L HA 0.615 4.943 4.340 -0.019 0.000 0.281 194 L C -1.317 175.610 176.870 0.095 0.000 1.004 194 L CA -0.391 54.527 54.840 0.130 0.000 0.823 194 L CB 1.123 43.292 42.059 0.182 0.000 1.236 194 L HN 0.843 nan 8.230 nan 0.000 0.415 195 N N 7.001 125.738 118.700 0.062 0.000 2.524 195 N HA 0.355 5.083 4.740 -0.019 0.000 0.261 195 N C -1.075 174.456 175.510 0.036 0.000 0.998 195 N CA -0.565 52.516 53.050 0.051 0.000 0.915 195 N CB 2.004 40.525 38.487 0.057 0.000 1.187 195 N HN 0.389 nan 8.380 nan 0.000 0.507 196 I N 1.674 122.256 120.570 0.021 0.000 2.395 196 I HA 0.239 4.398 4.170 -0.019 0.000 0.289 196 I C 0.577 176.679 176.117 -0.024 0.000 1.023 196 I CA -0.107 61.187 61.300 -0.009 0.000 1.350 196 I CB 0.511 38.490 38.000 -0.035 0.000 1.409 196 I HN 0.522 nan 8.210 nan 0.000 0.507 197 E N 3.429 123.605 120.200 -0.040 0.000 2.304 197 E HA 0.388 4.727 4.350 -0.019 0.000 0.277 197 E C -0.464 176.065 176.600 -0.119 0.000 0.898 197 E CA -0.402 55.965 56.400 -0.056 0.000 0.764 197 E CB 1.798 31.494 29.700 -0.007 0.000 1.216 197 E HN 0.395 nan 8.360 nan 0.000 0.419 198 S N 2.721 118.323 115.700 -0.163 0.000 2.496 198 S HA 0.048 4.507 4.470 -0.019 0.000 0.224 198 S C 0.005 174.531 174.600 -0.124 0.000 0.996 198 S CA 0.355 58.421 58.200 -0.223 0.000 0.927 198 S CB 0.015 63.156 63.200 -0.099 0.000 0.774 198 S HN 0.492 nan 8.310 nan 0.000 0.524 199 Q N 0.701 120.442 119.800 -0.098 0.000 2.348 199 Q HA 0.308 4.637 4.340 -0.019 0.000 0.265 199 Q C 0.305 176.349 176.000 0.073 0.000 0.998 199 Q CA -0.389 55.378 55.803 -0.060 0.000 0.831 199 Q CB 1.492 30.003 28.738 -0.379 0.000 1.251 199 Q HN 0.008 nan 8.270 nan 0.000 0.456 200 Q N 1.492 121.355 119.800 0.105 0.000 2.181 200 Q HA -0.203 4.126 4.340 -0.019 0.000 0.205 200 Q C 1.769 177.773 176.000 0.007 0.000 0.980 200 Q CA 2.477 58.278 55.803 -0.004 0.000 0.862 200 Q CB 0.017 28.659 28.738 -0.161 0.000 0.905 200 Q HN 0.749 nan 8.270 nan 0.000 0.429 201 S N -0.779 114.919 115.700 -0.003 0.000 2.419 201 S HA -0.122 4.337 4.470 -0.019 0.000 0.233 201 S C 1.765 176.407 174.600 0.071 0.000 1.016 201 S CA 0.685 58.894 58.200 0.016 0.000 0.974 201 S CB -0.188 63.014 63.200 0.002 0.000 0.786 201 S HN 0.270 nan 8.310 nan 0.000 0.492 202 R N 1.249 121.779 120.500 0.049 0.000 2.075 202 R HA 0.307 4.636 4.340 -0.019 0.000 0.226 202 R C 2.289 178.652 176.300 0.106 0.000 1.114 202 R CA 1.018 57.173 56.100 0.091 0.000 0.972 202 R CB -1.173 29.122 30.300 -0.007 0.000 0.869 202 R HN 0.519 nan 8.270 nan 0.000 0.437 203 I N 1.338 121.954 120.570 0.075 0.000 2.163 203 I HA -0.285 3.874 4.170 -0.019 0.000 0.243 203 I C 1.548 177.725 176.117 0.101 0.000 1.085 203 I CA 1.491 62.839 61.300 0.080 0.000 1.347 203 I CB -0.401 37.642 38.000 0.070 0.000 1.044 203 I HN 0.042 nan 8.210 nan 0.000 0.408 204 D N 0.640 121.096 120.400 0.094 0.000 2.149 204 D HA -0.205 4.424 4.640 -0.019 0.000 0.198 204 D C 1.966 178.375 176.300 0.180 0.000 0.990 204 D CA 1.215 55.273 54.000 0.096 0.000 0.839 204 D CB -0.375 40.456 40.800 0.052 0.000 0.948 204 D HN 0.197 nan 8.370 nan 0.000 0.460 205 F N 1.716 121.683 119.950 0.028 0.000 2.134 205 F HA -0.101 4.405 4.527 -0.035 0.000 0.299 205 F C 2.136 177.973 175.800 0.062 0.000 1.097 205 F CA 1.022 59.047 58.000 0.042 0.000 1.264 205 F CB -0.246 38.774 39.000 0.035 0.000 1.001 205 F HN -0.202 nan 8.300 nan 0.000 0.479 206 R N 0.035 120.665 120.500 0.217 0.000 2.115 206 R HA -0.051 4.278 4.340 -0.019 0.000 0.230 206 R C 2.369 178.774 176.300 0.176 0.000 1.111 206 R CA 0.963 57.150 56.100 0.144 0.000 0.976 206 R CB -0.845 29.511 30.300 0.093 0.000 0.870 206 R HN 0.312 nan 8.270 nan 0.000 0.445 207 L N 0.071 121.381 121.223 0.145 0.000 2.056 207 L HA -0.156 4.172 4.340 -0.019 0.000 0.207 207 L C 1.870 178.807 176.870 0.113 0.000 1.078 207 L CA 1.480 56.384 54.840 0.106 0.000 0.749 207 L CB -0.286 41.819 42.059 0.076 0.000 0.901 207 L HN 0.238 nan 8.230 nan 0.000 0.433 208 E N -0.743 119.547 120.200 0.150 0.000 2.208 208 E HA -0.146 4.193 4.350 -0.019 0.000 0.193 208 E C 1.706 178.402 176.600 0.160 0.000 0.988 208 E CA 1.524 58.005 56.400 0.135 0.000 0.828 208 E CB 0.054 29.835 29.700 0.135 0.000 0.763 208 E HN 0.527 nan 8.360 nan 0.000 0.478 209 T N -2.155 112.537 114.554 0.231 0.000 3.122 209 T HA 0.209 4.547 4.350 -0.019 0.000 0.250 209 T C 0.570 175.377 174.700 0.179 0.000 1.067 209 T CA -0.321 61.933 62.100 0.257 0.000 0.966 209 T CB 0.053 69.138 68.868 0.362 0.000 1.002 209 T HN 0.080 nan 8.240 nan 0.000 0.542 210 R N -1.307 119.251 120.500 0.095 0.000 3.951 210 R HA -0.205 4.124 4.340 -0.019 0.000 0.352 210 R C -0.019 176.214 176.300 -0.113 0.000 1.178 210 R CA 1.003 57.082 56.100 -0.036 0.000 0.949 210 R CB -2.782 27.445 30.300 -0.121 0.000 1.452 210 R HN 0.481 nan 8.270 nan 0.000 0.540 211 Y N -0.825 119.469 120.300 -0.010 0.000 2.475 211 Y HA 0.212 4.752 4.550 -0.016 0.000 0.289 211 Y C 1.315 177.216 175.900 0.002 0.000 1.121 211 Y CA 1.029 59.122 58.100 -0.011 0.000 1.257 211 Y CB 0.879 39.328 38.460 -0.017 0.000 1.026 211 Y HN 0.070 nan 8.280 nan 0.000 0.555 212 V N -0.270 119.723 119.914 0.132 0.000 2.823 212 V HA 0.223 4.332 4.120 -0.019 0.000 0.312 212 V C -0.278 175.839 176.094 0.039 0.000 1.072 212 V CA -0.598 61.749 62.300 0.080 0.000 0.937 212 V CB 1.962 33.838 31.823 0.088 0.000 1.013 212 V HN 0.039 nan 8.190 nan 0.000 0.430 213 D N 2.738 123.148 120.400 0.017 0.000 2.201 213 D HA 0.178 4.807 4.640 -0.019 0.000 0.209 213 D C 0.188 176.492 176.300 0.006 0.000 0.961 213 D CA 0.932 54.927 54.000 -0.008 0.000 0.861 213 D CB 0.655 41.431 40.800 -0.041 0.000 0.997 213 D HN 0.734 nan 8.370 nan 0.000 0.486 214 E N -0.384 119.831 120.200 0.026 0.000 2.413 214 E HA 0.334 4.673 4.350 -0.019 0.000 0.277 214 E C -1.082 175.542 176.600 0.041 0.000 0.958 214 E CA -0.626 55.795 56.400 0.035 0.000 0.779 214 E CB 2.484 32.218 29.700 0.056 0.000 1.278 214 E HN -0.192 nan 8.360 nan 0.000 0.456 215 Q N 1.273 121.094 119.800 0.034 0.000 2.333 215 Q HA 0.621 4.949 4.340 -0.019 0.000 0.268 215 Q C -1.314 174.699 176.000 0.022 0.000 1.007 215 Q CA -0.556 55.266 55.803 0.032 0.000 0.810 215 Q CB 1.544 30.299 28.738 0.028 0.000 1.264 215 Q HN 0.639 nan 8.270 nan 0.000 0.452 216 A N 2.165 124.995 122.820 0.016 0.000 2.332 216 A HA 0.255 4.564 4.320 -0.019 0.000 0.258 216 A C 1.018 178.605 177.584 0.004 0.000 1.087 216 A CA 0.247 52.282 52.037 -0.003 0.000 0.802 216 A CB 0.476 19.462 19.000 -0.024 0.000 1.042 216 A HN 0.950 nan 8.150 nan 0.000 0.489 217 T N -1.970 112.580 114.554 -0.006 0.000 3.043 217 T HA 0.255 4.593 4.350 -0.019 0.000 0.263 217 T C 0.145 174.851 174.700 0.009 0.000 1.094 217 T CA 1.085 63.185 62.100 0.001 0.000 1.127 217 T CB -0.593 68.270 68.868 -0.008 0.000 0.905 217 T HN 0.903 nan 8.240 nan 0.000 0.490 218 D N -1.236 119.164 120.400 -0.001 0.000 2.738 218 D HA 0.294 4.923 4.640 -0.019 0.000 0.308 218 D C 0.449 176.740 176.300 -0.014 0.000 1.311 218 D CA -0.859 53.142 54.000 0.002 0.000 0.799 218 D CB 0.422 41.222 40.800 0.000 0.000 1.332 218 D HN -0.094 nan 8.370 nan 0.000 0.441 219 L N 0.437 121.653 121.223 -0.012 0.000 2.046 219 L HA -0.006 4.323 4.340 -0.019 0.000 0.208 219 L C 1.159 178.003 176.870 -0.042 0.000 1.077 219 L CA 2.084 56.912 54.840 -0.021 0.000 0.747 219 L CB -0.881 41.175 42.059 -0.005 0.000 0.896 219 L HN 0.470 nan 8.230 nan 0.000 0.432 220 D N -0.580 119.798 120.400 -0.038 0.000 2.117 220 D HA -0.218 4.411 4.640 -0.019 0.000 0.197 220 D C 1.801 178.054 176.300 -0.079 0.000 0.987 220 D CA 1.521 55.489 54.000 -0.053 0.000 0.829 220 D CB -0.209 40.566 40.800 -0.040 0.000 0.961 220 D HN 0.496 nan 8.370 nan 0.000 0.460 221 D N 0.504 120.862 120.400 -0.070 0.000 2.117 221 D HA -0.094 4.535 4.640 -0.019 0.000 0.197 221 D C 1.982 178.206 176.300 -0.127 0.000 0.987 221 D CA 1.641 55.588 54.000 -0.088 0.000 0.829 221 D CB -0.093 40.672 40.800 -0.060 0.000 0.961 221 D HN 0.072 nan 8.370 nan 0.000 0.460 222 A N 0.200 122.954 122.820 -0.111 0.000 1.892 222 A HA -0.148 4.161 4.320 -0.019 0.000 0.218 222 A C 2.448 179.887 177.584 -0.242 0.000 1.188 222 A CA 1.472 53.421 52.037 -0.147 0.000 0.631 222 A CB -0.964 17.977 19.000 -0.098 0.000 0.822 222 A HN 0.395 nan 8.150 nan 0.000 0.447 223 L N -0.695 120.397 121.223 -0.219 0.000 2.156 223 L HA -0.114 4.215 4.340 -0.019 0.000 0.208 223 L C 2.451 179.141 176.870 -0.300 0.000 1.095 223 L CA 0.611 55.277 54.840 -0.290 0.000 0.770 223 L CB -0.440 41.511 42.059 -0.181 0.000 0.914 223 L HN 0.239 nan 8.230 nan 0.000 0.439 224 V N -0.038 119.732 119.914 -0.240 0.000 2.343 224 V HA -0.269 3.840 4.120 -0.019 0.000 0.247 224 V C 2.628 178.505 176.094 -0.362 0.000 1.051 224 V CA 1.736 63.892 62.300 -0.242 0.000 1.036 224 V CB -0.555 31.162 31.823 -0.177 0.000 0.654 224 V HN 0.417 nan 8.190 nan 0.000 0.451 225 R N -0.469 119.771 120.500 -0.433 0.000 2.075 225 R HA -0.081 4.248 4.340 -0.019 0.000 0.232 225 R C 2.275 178.058 176.300 -0.862 0.000 1.126 225 R CA 1.359 57.000 56.100 -0.766 0.000 0.963 225 R CB -0.352 29.595 30.300 -0.589 0.000 0.858 225 R HN 0.348 nan 8.270 nan 0.000 0.435 226 I N 0.911 121.125 120.570 -0.593 0.000 2.208 226 I HA -0.244 3.915 4.170 -0.019 0.000 0.245 226 I C 2.514 178.323 176.117 -0.514 0.000 1.097 226 I CA 1.441 62.375 61.300 -0.610 0.000 1.363 226 I CB -1.214 36.182 38.000 -1.005 0.000 1.051 226 I HN 0.179 nan 8.210 nan 0.000 0.413 227 A N 0.650 123.201 122.820 -0.447 0.000 1.902 227 A HA -0.247 4.062 4.320 -0.019 0.000 0.217 227 A C 2.476 179.928 177.584 -0.221 0.000 1.181 227 A CA 1.891 53.755 52.037 -0.289 0.000 0.623 227 A CB -0.528 18.339 19.000 -0.222 0.000 0.818 227 A HN 0.402 nan 8.150 nan 0.000 0.443 228 K N -1.649 118.581 120.400 -0.283 0.000 2.025 228 K HA -0.168 4.140 4.320 -0.019 0.000 0.207 228 K C 1.838 178.419 176.600 -0.031 0.000 1.049 228 K CA 1.614 57.790 56.287 -0.185 0.000 0.933 228 K CB -0.344 31.997 32.500 -0.266 0.000 0.714 228 K HN 0.453 nan 8.250 nan 0.000 0.438 229 Y N 1.347 121.578 120.300 -0.115 0.000 2.242 229 Y HA -0.149 4.393 4.550 -0.012 0.000 0.291 229 Y C 2.776 178.625 175.900 -0.085 0.000 1.137 229 Y CA 1.534 59.577 58.100 -0.095 0.000 1.181 229 Y CB -1.311 37.087 38.460 -0.104 0.000 0.989 229 Y HN 0.328 nan 8.280 nan 0.000 0.527 230 T N -2.146 112.435 114.554 0.046 0.000 2.821 230 T HA -0.093 4.246 4.350 -0.019 0.000 0.267 230 T C 2.210 176.915 174.700 0.008 0.000 1.046 230 T CA 1.075 63.185 62.100 0.016 0.000 1.139 230 T CB -0.809 68.058 68.868 -0.003 0.000 0.871 230 T HN 0.228 nan 8.240 nan 0.000 0.454 231 A N 2.186 125.001 122.820 -0.009 0.000 1.978 231 A HA -0.112 4.197 4.320 -0.019 0.000 0.220 231 A C 2.165 179.753 177.584 0.006 0.000 1.170 231 A CA 1.545 53.578 52.037 -0.007 0.000 0.636 231 A CB -0.601 18.387 19.000 -0.021 0.000 0.810 231 A HN 0.723 nan 8.150 nan 0.000 0.448 232 E N -1.515 118.699 120.200 0.023 0.000 2.489 232 E HA 0.270 4.608 4.350 -0.019 0.000 0.193 232 E C 1.066 177.672 176.600 0.010 0.000 1.057 232 E CA 0.211 56.623 56.400 0.021 0.000 0.866 232 E CB -0.091 29.635 29.700 0.044 0.000 0.916 232 E HN 0.725 nan 8.360 nan 0.000 0.500 233 G N 2.304 111.110 108.800 0.010 0.000 2.153 233 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.252 233 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.252 233 G C 0.137 175.028 174.900 -0.014 0.000 0.994 233 G CA 0.224 45.323 45.100 -0.002 0.000 0.698 233 G HN -0.007 nan 8.290 nan 0.000 0.521 234 K N -0.029 120.361 120.400 -0.017 0.000 2.126 234 K HA 0.719 5.028 4.320 -0.019 0.000 0.257 234 K C 0.368 176.932 176.600 -0.060 0.000 1.007 234 K CA 0.031 56.276 56.287 -0.068 0.000 0.928 234 K CB 1.353 33.761 32.500 -0.153 0.000 1.013 234 K HN 0.825 nan 8.250 nan 0.000 0.473 235 A N 3.095 125.863 122.820 -0.087 0.000 2.664 235 A HA 0.502 4.810 4.320 -0.019 0.000 0.338 235 A C -0.443 177.085 177.584 -0.092 0.000 1.280 235 A CA -0.623 51.378 52.037 -0.060 0.000 0.809 235 A CB -0.325 18.652 19.000 -0.039 0.000 1.114 235 A HN 0.598 nan 8.150 nan 0.000 0.479 236 I N 1.810 122.321 120.570 -0.098 0.000 2.509 236 I HA 0.376 4.535 4.170 -0.019 0.000 0.293 236 I C 0.329 176.437 176.117 -0.014 0.000 1.020 236 I CA -0.625 60.597 61.300 -0.130 0.000 1.088 236 I CB 2.584 40.355 38.000 -0.382 0.000 1.267 236 I HN 0.576 nan 8.210 nan 0.000 0.430 237 S N 6.464 122.160 115.700 -0.006 0.000 2.489 237 S HA 0.759 5.217 4.470 -0.019 0.000 0.291 237 S C -0.684 173.947 174.600 0.050 0.000 1.151 237 S CA -0.674 57.546 58.200 0.033 0.000 1.082 237 S CB 1.332 64.554 63.200 0.037 0.000 1.019 237 S HN 0.444 nan 8.310 nan 0.000 0.492 238 I N 2.203 122.809 120.570 0.060 0.000 2.436 238 I HA 0.579 4.738 4.170 -0.019 0.000 0.289 238 I C 0.195 176.339 176.117 0.046 0.000 1.010 238 I CA -0.903 60.429 61.300 0.054 0.000 1.098 238 I CB 1.782 39.805 38.000 0.039 0.000 1.266 238 I HN 0.855 nan 8.210 nan 0.000 0.434 239 A N 6.538 129.386 122.820 0.046 0.000 2.310 239 A HA 0.810 5.119 4.320 -0.019 0.000 0.299 239 A C -1.021 176.590 177.584 0.044 0.000 1.147 239 A CA -0.396 51.670 52.037 0.048 0.000 0.818 239 A CB 1.137 20.171 19.000 0.056 0.000 1.096 239 A HN 0.615 nan 8.150 nan 0.000 0.495 240 L N 2.324 123.573 121.223 0.045 0.000 2.406 240 L HA 0.313 4.642 4.340 -0.019 0.000 0.272 240 L C -0.219 176.692 176.870 0.068 0.000 0.980 240 L CA -0.265 54.605 54.840 0.048 0.000 0.831 240 L CB 1.451 43.523 42.059 0.021 0.000 1.253 240 L HN 0.838 nan 8.230 nan 0.000 0.406 241 H N 4.683 123.750 119.070 -0.005 0.000 2.955 241 H HA 0.569 5.113 4.556 -0.020 0.000 0.290 241 H C -0.218 175.106 175.328 -0.007 0.000 1.047 241 H CA 1.016 57.060 56.048 -0.007 0.000 1.484 241 H CB 0.495 30.256 29.762 -0.002 0.000 1.501 241 H HN 0.910 nan 8.280 nan 0.000 0.521 242 G N 4.087 112.662 108.800 -0.375 0.000 2.321 242 G HA2 -0.071 3.878 3.960 -0.019 0.000 0.296 242 G HA3 -0.071 3.878 3.960 -0.019 0.000 0.296 242 G C -1.607 173.153 174.900 -0.233 0.000 1.287 242 G CA -0.893 44.044 45.100 -0.272 0.000 0.846 242 G HN 0.598 nan 8.290 nan 0.000 0.508 243 N N 0.349 118.947 118.700 -0.171 0.000 2.417 243 N HA 0.508 5.237 4.740 -0.019 0.000 0.274 243 N C 1.147 176.546 175.510 -0.185 0.000 0.987 243 N CA 0.246 53.188 53.050 -0.179 0.000 0.912 243 N CB 1.878 40.279 38.487 -0.144 0.000 1.177 243 N HN 0.777 nan 8.380 nan 0.000 0.490 244 A N 3.470 126.142 122.820 -0.246 0.000 2.019 244 A HA -0.062 4.246 4.320 -0.019 0.000 0.219 244 A C 1.862 179.190 177.584 -0.426 0.000 1.164 244 A CA 1.815 53.648 52.037 -0.340 0.000 0.644 244 A CB -0.414 18.313 19.000 -0.454 0.000 0.805 244 A HN 0.722 nan 8.150 nan 0.000 0.449 245 A N -0.563 122.081 122.820 -0.293 0.000 2.168 245 A HA -0.021 4.287 4.320 -0.019 0.000 0.215 245 A C 1.799 179.338 177.584 -0.074 0.000 1.152 245 A CA 1.348 53.311 52.037 -0.123 0.000 0.716 245 A CB -0.246 18.792 19.000 0.064 0.000 0.794 245 A HN 0.667 nan 8.150 nan 0.000 0.465 246 E N -0.662 119.486 120.200 -0.088 0.000 2.132 246 E HA 0.120 4.459 4.350 -0.019 0.000 0.193 246 E C 1.655 178.228 176.600 -0.044 0.000 0.951 246 E CA 0.417 56.788 56.400 -0.049 0.000 0.843 246 E CB -0.071 29.607 29.700 -0.037 0.000 0.807 246 E HN 0.598 nan 8.360 nan 0.000 0.467 247 I N 0.916 121.450 120.570 -0.059 0.000 2.353 247 I HA -0.205 3.954 4.170 -0.019 0.000 0.248 247 I C 2.080 178.208 176.117 0.018 0.000 1.119 247 I CA 0.583 61.871 61.300 -0.021 0.000 1.417 247 I CB 0.036 38.019 38.000 -0.028 0.000 1.078 247 I HN 0.070 nan 8.210 nan 0.000 0.421 248 L N 0.979 122.200 121.223 -0.004 0.000 2.017 248 L HA -0.113 4.216 4.340 -0.019 0.000 0.208 248 L C -0.386 176.508 176.870 0.041 0.000 1.073 248 L CA 2.369 57.273 54.840 0.107 0.000 0.745 248 L CB -1.783 40.353 42.059 0.128 0.000 0.894 248 L HN 0.112 nan 8.230 nan 0.000 0.432 249 P HA -0.186 nan 4.420 nan 0.000 0.218 249 P C 1.409 178.682 177.300 -0.044 0.000 1.148 249 P CA 1.046 64.110 63.100 -0.060 0.000 0.822 249 P CB 0.167 31.846 31.700 -0.035 0.000 0.784 250 E N -0.155 120.040 120.200 -0.007 0.000 2.106 250 E HA -0.134 4.204 4.350 -0.019 0.000 0.192 250 E C 1.840 178.459 176.600 0.032 0.000 0.984 250 E CA 1.130 57.534 56.400 0.007 0.000 0.806 250 E CB -1.164 28.544 29.700 0.013 0.000 0.750 250 E HN 0.130 nan 8.360 nan 0.000 0.458 251 L N -0.540 120.735 121.223 0.086 0.000 2.093 251 L HA -0.122 4.207 4.340 -0.019 0.000 0.208 251 L C 2.391 179.331 176.870 0.117 0.000 1.085 251 L CA 0.661 55.605 54.840 0.174 0.000 0.755 251 L CB -0.334 41.934 42.059 0.349 0.000 0.904 251 L HN 0.087 nan 8.230 nan 0.000 0.435 252 V N -0.175 119.686 119.914 -0.089 0.000 2.287 252 V HA -0.298 3.811 4.120 -0.019 0.000 0.248 252 V C 2.539 178.568 176.094 -0.109 0.000 1.053 252 V CA 1.689 63.818 62.300 -0.285 0.000 1.027 252 V CB -0.445 31.079 31.823 -0.499 0.000 0.646 252 V HN 0.336 nan 8.190 nan 0.000 0.447 253 K N 0.246 120.605 120.400 -0.069 0.000 2.103 253 K HA -0.108 4.200 4.320 -0.019 0.000 0.207 253 K C 2.108 178.705 176.600 -0.005 0.000 1.048 253 K CA 1.294 57.560 56.287 -0.034 0.000 0.930 253 K CB -0.399 32.088 32.500 -0.022 0.000 0.716 253 K HN 0.385 nan 8.250 nan 0.000 0.444 254 R N -0.726 119.784 120.500 0.017 0.000 2.323 254 R HA 0.070 4.399 4.340 -0.019 0.000 0.198 254 R C 0.762 177.091 176.300 0.048 0.000 0.988 254 R CA 0.628 56.748 56.100 0.033 0.000 1.041 254 R CB 0.034 30.362 30.300 0.047 0.000 0.926 254 R HN 0.368 nan 8.270 nan 0.000 0.476 255 G N 0.986 109.816 108.800 0.050 0.000 2.160 255 G HA2 -0.261 3.687 3.960 -0.019 0.000 0.251 255 G HA3 -0.261 3.687 3.960 -0.019 0.000 0.251 255 G C 0.201 175.174 174.900 0.121 0.000 1.008 255 G CA 0.116 45.256 45.100 0.068 0.000 0.724 255 G HN 0.163 nan 8.290 nan 0.000 0.514 256 V N 0.370 120.391 119.914 0.177 0.000 2.637 256 V HA 0.397 4.505 4.120 -0.019 0.000 0.296 256 V C 1.082 177.350 176.094 0.289 0.000 1.046 256 V CA 0.177 62.623 62.300 0.244 0.000 1.066 256 V CB 1.492 33.486 31.823 0.285 0.000 0.968 256 V HN 0.422 nan 8.190 nan 0.000 0.483 257 R N 5.780 126.410 120.500 0.217 0.000 2.352 257 R HA 0.401 4.730 4.340 -0.019 0.000 0.304 257 R C -2.633 173.582 176.300 -0.142 0.000 1.104 257 R CA -1.617 54.530 56.100 0.078 0.000 0.991 257 R CB 1.504 31.854 30.300 0.083 0.000 1.140 257 R HN 0.507 nan 8.270 nan 0.000 0.540 258 P HA 0.109 nan 4.420 nan 0.000 0.273 258 P C -0.360 176.419 177.300 -0.869 0.000 1.250 258 P CA -0.269 61.946 63.100 -1.475 0.000 0.793 258 P CB 0.886 31.576 31.700 -1.684 0.000 1.011 259 D N -0.751 119.108 120.400 -0.902 0.000 2.346 259 D HA 0.131 4.759 4.640 -0.019 0.000 0.206 259 D C 0.544 176.694 176.300 -0.250 0.000 1.001 259 D CA 1.219 54.952 54.000 -0.446 0.000 0.871 259 D CB 0.338 40.805 40.800 -0.555 0.000 0.943 259 D HN 0.321 nan 8.370 nan 0.000 0.518 260 M N 0.406 119.767 119.600 -0.399 0.000 2.470 260 M HA 0.322 4.791 4.480 -0.019 0.000 0.285 260 M C -1.512 174.530 176.300 -0.429 0.000 1.213 260 M CA -0.677 54.474 55.300 -0.247 0.000 0.901 260 M CB 3.798 36.355 32.600 -0.072 0.000 1.718 260 M HN -0.425 nan 8.290 nan 0.000 0.469 261 V N 0.645 120.318 119.914 -0.403 0.000 2.638 261 V HA 0.811 4.919 4.120 -0.019 0.000 0.306 261 V C -0.370 175.378 176.094 -0.576 0.000 1.052 261 V CA -0.337 61.668 62.300 -0.491 0.000 0.885 261 V CB 2.072 33.576 31.823 -0.532 0.000 0.999 261 V HN 1.004 nan 8.190 nan 0.000 0.424 262 T N 2.473 116.726 114.554 -0.502 0.000 2.618 262 T HA 0.629 4.968 4.350 -0.019 0.000 0.293 262 T C -2.202 172.376 174.700 -0.203 0.000 1.093 262 T CA -0.293 61.476 62.100 -0.552 0.000 1.061 262 T CB 2.059 70.310 68.868 -1.029 0.000 1.498 262 T HN 0.861 nan 8.240 nan 0.000 0.494 263 D N -0.245 120.103 120.400 -0.087 0.000 2.803 263 D HA 0.415 5.043 4.640 -0.019 0.000 0.218 263 D C -1.192 175.184 176.300 0.128 0.000 1.245 263 D CA -0.225 53.812 54.000 0.061 0.000 0.821 263 D CB 1.794 42.628 40.800 0.058 0.000 1.626 263 D HN 0.405 nan 8.370 nan 0.000 0.487 264 Q N 2.018 121.915 119.800 0.160 0.000 2.141 264 Q HA 0.202 4.531 4.340 -0.019 0.000 0.295 264 Q C -0.562 175.556 176.000 0.197 0.000 0.870 264 Q CA -0.371 55.550 55.803 0.196 0.000 1.096 264 Q CB 0.653 29.522 28.738 0.218 0.000 1.288 264 Q HN 0.709 nan 8.270 nan 0.000 0.418 265 T N -2.589 112.099 114.554 0.223 0.000 2.748 265 T HA 0.165 4.504 4.350 -0.019 0.000 0.304 265 T C 0.729 175.611 174.700 0.303 0.000 1.041 265 T CA -0.327 61.917 62.100 0.239 0.000 1.033 265 T CB 1.284 70.321 68.868 0.282 0.000 0.995 265 T HN 0.018 nan 8.240 nan 0.000 0.536 266 S N 1.019 116.909 115.700 0.318 0.000 3.697 266 S HA 0.384 4.843 4.470 -0.019 0.000 0.207 266 S C 1.691 176.434 174.600 0.238 0.000 1.459 266 S CA -0.257 58.169 58.200 0.378 0.000 1.122 266 S CB -1.037 62.374 63.200 0.353 0.000 1.311 266 S HN 0.826 nan 8.310 nan 0.000 0.487 267 A N 1.131 124.124 122.820 0.288 0.000 2.125 267 A HA -0.136 4.173 4.320 -0.019 0.000 0.219 267 A C 1.612 179.206 177.584 0.016 0.000 1.156 267 A CA 1.466 53.564 52.037 0.102 0.000 0.671 267 A CB -0.760 18.248 19.000 0.012 0.000 0.794 267 A HN 0.904 nan 8.150 nan 0.000 0.459 268 H N -2.344 116.781 119.070 0.091 0.000 2.521 268 H HA 0.116 4.660 4.556 -0.020 0.000 0.286 268 H C 0.104 175.527 175.328 0.159 0.000 1.034 268 H CA 1.040 57.170 56.048 0.137 0.000 1.278 268 H CB 0.003 29.894 29.762 0.216 0.000 1.386 268 H HN 0.297 nan 8.280 nan 0.000 0.567 269 D N -0.052 119.932 120.400 -0.694 0.000 2.363 269 D HA 0.173 4.802 4.640 -0.019 0.000 0.258 269 D C -2.045 173.940 176.300 -0.525 0.000 1.259 269 D CA -2.676 50.781 54.000 -0.904 0.000 0.921 269 D CB 1.221 41.234 40.800 -1.312 0.000 1.201 269 D HN -0.010 nan 8.370 nan 0.000 0.524 270 P HA -0.126 nan 4.420 nan 0.000 0.218 270 P C 1.531 178.779 177.300 -0.087 0.000 1.148 270 P CA 0.372 63.385 63.100 -0.146 0.000 0.822 270 P CB 0.405 32.037 31.700 -0.113 0.000 0.784 271 L N -1.015 120.072 121.223 -0.226 0.000 2.156 271 L HA -0.006 4.323 4.340 -0.019 0.000 0.208 271 L C 1.423 178.116 176.870 -0.294 0.000 1.095 271 L CA 1.989 56.707 54.840 -0.203 0.000 0.770 271 L CB -0.712 41.202 42.059 -0.241 0.000 0.914 271 L HN -0.083 nan 8.230 nan 0.000 0.439 272 N N -1.561 116.967 118.700 -0.287 0.000 2.317 272 N HA 0.176 4.905 4.740 -0.019 0.000 0.199 272 N C 1.367 176.907 175.510 0.050 0.000 1.145 272 N CA 0.889 53.790 53.050 -0.249 0.000 0.882 272 N CB 0.561 38.897 38.487 -0.252 0.000 1.113 272 N HN 0.363 nan 8.380 nan 0.000 0.486 273 G N -1.049 107.814 108.800 0.105 0.000 3.377 273 G HA2 0.114 4.063 3.960 -0.019 0.000 0.257 273 G HA3 0.114 4.063 3.960 -0.019 0.000 0.257 273 G C -0.714 174.385 174.900 0.332 0.000 1.038 273 G CA 0.078 45.322 45.100 0.241 0.000 0.809 273 G HN 0.190 nan 8.290 nan 0.000 0.526 274 Y N 0.459 120.824 120.300 0.109 0.000 2.315 274 Y HA 0.528 5.068 4.550 -0.017 0.000 0.324 274 Y C -1.217 174.351 175.900 -0.552 0.000 1.062 274 Y CA -1.273 56.778 58.100 -0.083 0.000 1.159 274 Y CB 1.694 40.100 38.460 -0.090 0.000 1.145 274 Y HN -0.060 nan 8.280 nan 0.000 0.442 275 L N 9.471 130.254 121.223 -0.734 0.000 2.369 275 L HA 0.520 4.849 4.340 -0.019 0.000 0.279 275 L C -2.519 173.946 176.870 -0.676 0.000 1.108 275 L CA -1.872 52.426 54.840 -0.904 0.000 0.852 275 L CB 0.294 42.155 42.059 -0.330 0.000 1.169 275 L HN 0.417 nan 8.230 nan 0.000 0.452 276 P HA 0.129 nan 4.420 nan 0.000 0.269 276 P C -0.974 176.067 177.300 -0.432 0.000 1.209 276 P CA -0.274 62.401 63.100 -0.709 0.000 0.776 276 P CB 0.498 31.293 31.700 -1.508 0.000 0.876 277 A N 2.717 125.417 122.820 -0.199 0.000 2.566 277 A HA 0.375 4.684 4.320 -0.019 0.000 0.245 277 A C 1.584 179.221 177.584 0.088 0.000 1.056 277 A CA 0.948 52.956 52.037 -0.048 0.000 0.757 277 A CB -1.560 17.435 19.000 -0.009 0.000 0.979 277 A HN 0.885 nan 8.150 nan 0.000 0.508 278 G N 0.979 109.858 108.800 0.131 0.000 2.217 278 G HA2 -0.230 3.719 3.960 -0.019 0.000 0.246 278 G HA3 -0.230 3.719 3.960 -0.019 0.000 0.246 278 G C -0.081 175.024 174.900 0.342 0.000 0.990 278 G CA 0.344 45.574 45.100 0.218 0.000 0.627 278 G HN 0.786 nan 8.290 nan 0.000 0.522 279 W N 1.814 123.101 121.300 -0.022 0.000 2.375 279 W HA 0.672 5.320 4.660 -0.020 0.000 0.336 279 W C 1.049 177.579 176.519 0.019 0.000 1.160 279 W CA -0.221 57.120 57.345 -0.007 0.000 1.266 279 W CB 0.488 29.928 29.460 -0.034 0.000 1.195 279 W HN 0.407 nan 8.180 nan 0.000 0.599 280 T N -1.228 113.481 114.554 0.258 0.000 2.899 280 T HA 0.043 4.382 4.350 -0.019 0.000 0.284 280 T C 0.830 175.724 174.700 0.324 0.000 1.004 280 T CA -0.569 61.679 62.100 0.247 0.000 1.043 280 T CB 1.169 70.144 68.868 0.178 0.000 1.013 280 T HN 0.605 nan 8.240 nan 0.000 0.518 281 W N 2.061 123.469 121.300 0.180 0.000 2.338 281 W HA -0.217 4.437 4.660 -0.010 0.000 0.304 281 W C 1.953 178.610 176.519 0.231 0.000 1.212 281 W CA 2.335 59.818 57.345 0.231 0.000 1.264 281 W CB -0.171 29.392 29.460 0.173 0.000 1.142 281 W HN 1.061 nan 8.180 nan 0.000 0.512 282 E N 0.171 120.533 120.200 0.270 0.000 2.085 282 E HA -0.299 4.040 4.350 -0.019 0.000 0.194 282 E C 1.984 178.619 176.600 0.057 0.000 0.994 282 E CA 1.763 58.246 56.400 0.138 0.000 0.801 282 E CB -1.157 28.615 29.700 0.121 0.000 0.743 282 E HN 0.346 nan 8.360 nan 0.000 0.453 283 Q N -0.239 119.605 119.800 0.074 0.000 2.084 283 Q HA -0.205 4.124 4.340 -0.019 0.000 0.202 283 Q C 2.015 178.079 176.000 0.108 0.000 0.978 283 Q CA 1.769 57.576 55.803 0.008 0.000 0.844 283 Q CB -0.372 28.322 28.738 -0.074 0.000 0.898 283 Q HN 0.512 nan 8.270 nan 0.000 0.426 284 Y N 0.990 121.351 120.300 0.102 0.000 2.128 284 Y HA -0.274 4.264 4.550 -0.020 0.000 0.284 284 Y C 2.114 177.955 175.900 -0.100 0.000 1.154 284 Y CA 1.015 59.189 58.100 0.123 0.000 1.149 284 Y CB 0.257 38.596 38.460 -0.201 0.000 0.976 284 Y HN 0.002 nan 8.280 nan 0.000 0.505 285 R N 0.603 120.905 120.500 -0.330 0.000 2.115 285 R HA -0.103 4.226 4.340 -0.019 0.000 0.226 285 R C 1.580 177.771 176.300 -0.182 0.000 1.100 285 R CA 1.286 57.165 56.100 -0.369 0.000 0.980 285 R CB -0.987 29.162 30.300 -0.253 0.000 0.875 285 R HN 0.472 nan 8.270 nan 0.000 0.445 286 D N 0.670 121.011 120.400 -0.097 0.000 2.084 286 D HA -0.089 4.539 4.640 -0.019 0.000 0.196 286 D C 2.005 178.268 176.300 -0.062 0.000 0.985 286 D CA 1.104 55.065 54.000 -0.066 0.000 0.826 286 D CB -0.120 40.651 40.800 -0.049 0.000 0.978 286 D HN 0.155 nan 8.370 nan 0.000 0.456 287 R N 0.665 121.141 120.500 -0.040 0.000 2.115 287 R HA 0.046 4.374 4.340 -0.019 0.000 0.230 287 R C 2.244 178.546 176.300 0.004 0.000 1.111 287 R CA 0.967 57.068 56.100 0.001 0.000 0.976 287 R CB -0.220 30.116 30.300 0.060 0.000 0.870 287 R HN 0.077 nan 8.270 nan 0.000 0.445 288 A N 0.832 123.607 122.820 -0.076 0.000 1.978 288 A HA -0.226 4.083 4.320 -0.019 0.000 0.220 288 A C 1.866 179.401 177.584 -0.082 0.000 1.170 288 A CA 1.418 53.373 52.037 -0.136 0.000 0.636 288 A CB -0.202 18.607 19.000 -0.318 0.000 0.810 288 A HN 0.164 nan 8.150 nan 0.000 0.448 289 Q N -1.355 118.402 119.800 -0.071 0.000 2.212 289 Q HA 0.026 4.355 4.340 -0.019 0.000 0.199 289 Q C 2.088 178.075 176.000 -0.022 0.000 0.950 289 Q CA 1.785 57.562 55.803 -0.043 0.000 0.863 289 Q CB -0.768 27.945 28.738 -0.042 0.000 0.944 289 Q HN 0.581 nan 8.270 nan 0.000 0.465 290 T N 1.063 115.605 114.554 -0.019 0.000 2.937 290 T HA -0.039 4.300 4.350 -0.019 0.000 0.260 290 T C 0.131 174.834 174.700 0.005 0.000 1.051 290 T CA 1.089 63.183 62.100 -0.009 0.000 1.141 290 T CB 0.118 68.976 68.868 -0.017 0.000 0.879 290 T HN 0.458 nan 8.240 nan 0.000 0.459 291 E N 0.317 120.528 120.200 0.017 0.000 3.832 291 E HA 0.194 4.532 4.350 -0.019 0.000 0.250 291 E C -2.466 174.164 176.600 0.051 0.000 1.215 291 E CA -1.294 55.128 56.400 0.037 0.000 1.179 291 E CB 1.116 30.845 29.700 0.048 0.000 1.270 291 E HN 0.138 nan 8.360 nan 0.000 0.405 292 P HA -0.251 nan 4.420 nan 0.000 0.216 292 P C 1.361 178.686 177.300 0.042 0.000 1.150 292 P CA 1.886 64.999 63.100 0.023 0.000 0.837 292 P CB 0.281 31.989 31.700 0.013 0.000 0.786 293 A N 0.367 123.217 122.820 0.050 0.000 1.930 293 A HA 0.013 4.322 4.320 -0.019 0.000 0.217 293 A C 2.478 180.100 177.584 0.063 0.000 1.175 293 A CA 1.943 54.013 52.037 0.054 0.000 0.627 293 A CB -1.413 17.619 19.000 0.053 0.000 0.815 293 A HN 0.237 nan 8.150 nan 0.000 0.443 294 A N -0.596 122.273 122.820 0.081 0.000 1.968 294 A HA 0.091 4.400 4.320 -0.019 0.000 0.217 294 A C 2.178 179.852 177.584 0.150 0.000 1.169 294 A CA 1.521 53.626 52.037 0.112 0.000 0.638 294 A CB -0.726 18.350 19.000 0.127 0.000 0.812 294 A HN 0.329 nan 8.150 nan 0.000 0.446 295 V N -0.386 119.628 119.914 0.166 0.000 2.295 295 V HA -0.229 3.879 4.120 -0.019 0.000 0.246 295 V C 2.568 178.679 176.094 0.029 0.000 1.049 295 V CA 1.961 64.357 62.300 0.160 0.000 1.024 295 V CB -0.825 31.106 31.823 0.181 0.000 0.648 295 V HN 0.359 nan 8.190 nan 0.000 0.447 296 V N 0.509 120.438 119.914 0.024 0.000 2.282 296 V HA -0.321 3.788 4.120 -0.019 0.000 0.249 296 V C 2.585 178.664 176.094 -0.026 0.000 1.057 296 V CA 2.464 64.759 62.300 -0.009 0.000 1.032 296 V CB -0.751 31.076 31.823 0.007 0.000 0.645 296 V HN 0.587 nan 8.190 nan 0.000 0.447 297 K N 0.712 121.113 120.400 0.002 0.000 2.026 297 K HA -0.182 4.127 4.320 -0.019 0.000 0.208 297 K C 2.143 178.720 176.600 -0.037 0.000 1.048 297 K CA 2.003 58.288 56.287 -0.004 0.000 0.929 297 K CB -0.421 32.096 32.500 0.029 0.000 0.713 297 K HN 0.404 nan 8.250 nan 0.000 0.439 298 A N 1.115 123.905 122.820 -0.049 0.000 1.933 298 A HA -0.038 4.271 4.320 -0.019 0.000 0.218 298 A C 2.388 179.827 177.584 -0.241 0.000 1.175 298 A CA 1.919 53.877 52.037 -0.132 0.000 0.628 298 A CB -0.641 18.254 19.000 -0.176 0.000 0.814 298 A HN 0.511 nan 8.150 nan 0.000 0.444 299 A N -0.024 122.648 122.820 -0.247 0.000 1.873 299 A HA -0.148 4.161 4.320 -0.019 0.000 0.215 299 A C 2.102 179.555 177.584 -0.219 0.000 1.186 299 A CA 1.756 53.669 52.037 -0.206 0.000 0.616 299 A CB -0.421 18.504 19.000 -0.124 0.000 0.823 299 A HN 0.528 nan 8.150 nan 0.000 0.442 300 K N -0.523 119.770 120.400 -0.179 0.000 2.147 300 K HA -0.154 4.155 4.320 -0.019 0.000 0.205 300 K C 2.272 178.787 176.600 -0.142 0.000 1.049 300 K CA 1.506 57.685 56.287 -0.180 0.000 0.936 300 K CB -0.174 32.264 32.500 -0.104 0.000 0.722 300 K HN 0.601 nan 8.250 nan 0.000 0.446 301 Q N 0.082 119.823 119.800 -0.098 0.000 2.119 301 Q HA -0.088 4.241 4.340 -0.019 0.000 0.201 301 Q C 2.111 178.080 176.000 -0.052 0.000 0.972 301 Q CA 1.321 57.089 55.803 -0.059 0.000 0.847 301 Q CB 0.097 28.815 28.738 -0.032 0.000 0.903 301 Q HN 0.177 nan 8.270 nan 0.000 0.433 302 S N 0.426 116.089 115.700 -0.062 0.000 2.387 302 S HA -0.075 4.384 4.470 -0.019 0.000 0.226 302 S C 1.866 176.476 174.600 0.018 0.000 1.026 302 S CA 0.937 59.148 58.200 0.019 0.000 0.972 302 S CB -0.061 63.201 63.200 0.102 0.000 0.814 302 S HN 0.324 nan 8.310 nan 0.000 0.477 303 M N 1.158 120.623 119.600 -0.224 0.000 2.159 303 M HA -0.102 4.367 4.480 -0.019 0.000 0.263 303 M C 2.421 178.658 176.300 -0.105 0.000 1.063 303 M CA 1.369 56.482 55.300 -0.312 0.000 1.110 303 M CB -0.530 31.744 32.600 -0.544 0.000 1.374 303 M HN 0.385 nan 8.290 nan 0.000 0.411 304 A N -0.207 122.564 122.820 -0.081 0.000 1.933 304 A HA -0.091 4.218 4.320 -0.019 0.000 0.218 304 A C 2.236 179.829 177.584 0.016 0.000 1.175 304 A CA 1.528 53.543 52.037 -0.037 0.000 0.628 304 A CB -0.867 18.114 19.000 -0.033 0.000 0.814 304 A HN 0.303 nan 8.150 nan 0.000 0.444 305 V N -0.713 119.224 119.914 0.038 0.000 2.453 305 V HA -0.259 3.850 4.120 -0.019 0.000 0.247 305 V C 2.371 178.536 176.094 0.118 0.000 1.048 305 V CA 2.161 64.495 62.300 0.056 0.000 1.049 305 V CB -0.993 30.856 31.823 0.043 0.000 0.672 305 V HN 0.848 nan 8.190 nan 0.000 0.457 306 H N -0.423 118.666 119.070 0.031 0.000 2.293 306 H HA -0.151 4.393 4.556 -0.019 0.000 0.300 306 H C 2.285 177.649 175.328 0.061 0.000 1.082 306 H CA 1.808 57.896 56.048 0.066 0.000 1.308 306 H CB 0.199 30.038 29.762 0.129 0.000 1.375 306 H HN 0.221 nan 8.280 nan 0.000 0.495 307 V N 0.830 120.820 119.914 0.126 0.000 2.407 307 V HA -0.237 3.872 4.120 -0.019 0.000 0.248 307 V C 2.494 178.669 176.094 0.134 0.000 1.055 307 V CA 2.009 64.371 62.300 0.102 0.000 1.049 307 V CB -0.533 31.303 31.823 0.021 0.000 0.662 307 V HN 0.434 nan 8.190 nan 0.000 0.455 308 Q N 0.649 120.498 119.800 0.081 0.000 2.124 308 Q HA -0.144 4.185 4.340 -0.019 0.000 0.202 308 Q C 2.101 178.109 176.000 0.014 0.000 0.977 308 Q CA 2.087 57.919 55.803 0.049 0.000 0.850 308 Q CB -0.541 28.210 28.738 0.021 0.000 0.901 308 Q HN 0.603 nan 8.270 nan 0.000 0.429 309 A N -0.022 122.807 122.820 0.014 0.000 1.902 309 A HA -0.178 4.131 4.320 -0.019 0.000 0.217 309 A C 2.090 179.630 177.584 -0.074 0.000 1.181 309 A CA 1.685 53.660 52.037 -0.103 0.000 0.623 309 A CB -0.549 18.425 19.000 -0.044 0.000 0.818 309 A HN 0.515 nan 8.150 nan 0.000 0.443 310 M N -0.670 118.987 119.600 0.095 0.000 2.108 310 M HA -0.127 4.342 4.480 -0.019 0.000 0.261 310 M C 2.077 178.361 176.300 -0.026 0.000 1.066 310 M CA 1.404 56.725 55.300 0.035 0.000 1.107 310 M CB -0.540 31.936 32.600 -0.207 0.000 1.356 310 M HN 0.363 nan 8.290 nan 0.000 0.406 311 L N -0.141 121.130 121.223 0.081 0.000 2.083 311 L HA -0.233 4.096 4.340 -0.019 0.000 0.209 311 L C 1.936 178.829 176.870 0.038 0.000 1.083 311 L CA 0.930 55.848 54.840 0.129 0.000 0.752 311 L CB -0.723 41.429 42.059 0.155 0.000 0.899 311 L HN 0.270 nan 8.230 nan 0.000 0.433 312 D N -0.365 120.004 120.400 -0.051 0.000 2.144 312 D HA -0.151 4.477 4.640 -0.019 0.000 0.200 312 D C 2.084 178.308 176.300 -0.127 0.000 0.978 312 D CA 1.220 55.143 54.000 -0.128 0.000 0.833 312 D CB -0.160 40.498 40.800 -0.238 0.000 0.961 312 D HN 0.145 nan 8.370 nan 0.000 0.470 313 F N 1.205 121.123 119.950 -0.054 0.000 2.102 313 F HA -0.127 4.390 4.527 -0.017 0.000 0.298 313 F C 2.614 178.369 175.800 -0.076 0.000 1.105 313 F CA 0.933 58.884 58.000 -0.082 0.000 1.239 313 F CB -0.793 38.126 39.000 -0.136 0.000 0.991 313 F HN -0.018 nan 8.300 nan 0.000 0.474 314 Q N 0.618 120.486 119.800 0.112 0.000 2.124 314 Q HA -0.223 4.106 4.340 -0.019 0.000 0.202 314 Q C 2.028 178.065 176.000 0.063 0.000 0.977 314 Q CA 1.582 57.423 55.803 0.063 0.000 0.850 314 Q CB -0.103 28.678 28.738 0.073 0.000 0.901 314 Q HN 0.362 nan 8.270 nan 0.000 0.429 315 K N -0.293 120.140 120.400 0.055 0.000 2.209 315 K HA -0.118 4.191 4.320 -0.019 0.000 0.204 315 K C 1.689 178.312 176.600 0.038 0.000 1.048 315 K CA 0.875 57.186 56.287 0.041 0.000 0.940 315 K CB 0.191 32.705 32.500 0.024 0.000 0.729 315 K HN 0.220 nan 8.250 nan 0.000 0.451 316 Q N -0.575 119.254 119.800 0.047 0.000 2.415 316 Q HA 0.054 4.383 4.340 -0.019 0.000 0.206 316 Q C 0.927 176.955 176.000 0.046 0.000 0.946 316 Q CA 0.717 56.551 55.803 0.051 0.000 0.951 316 Q CB 0.918 29.701 28.738 0.076 0.000 1.026 316 Q HN 0.538 nan 8.270 nan 0.000 0.510 317 G N -0.138 108.685 108.800 0.037 0.000 2.157 317 G HA2 -0.246 3.702 3.960 -0.019 0.000 0.239 317 G HA3 -0.246 3.702 3.960 -0.019 0.000 0.239 317 G C 0.148 175.042 174.900 -0.011 0.000 0.982 317 G CA 0.158 45.268 45.100 0.018 0.000 0.650 317 G HN 0.236 nan 8.290 nan 0.000 0.527 318 V N 2.077 121.987 119.914 -0.008 0.000 2.488 318 V HA 0.354 4.463 4.120 -0.019 0.000 0.277 318 V C -1.479 174.553 176.094 -0.103 0.000 1.046 318 V CA -1.249 61.011 62.300 -0.068 0.000 0.986 318 V CB 1.221 32.988 31.823 -0.093 0.000 0.989 318 V HN 0.113 nan 8.190 nan 0.000 0.475 319 P HA 0.133 nan 4.420 nan 0.000 0.262 319 P C -0.395 176.904 177.300 -0.000 0.000 1.199 319 P CA 0.531 63.528 63.100 -0.173 0.000 0.763 319 P CB 0.208 31.626 31.700 -0.469 0.000 0.790 320 T N 4.620 119.214 114.554 0.067 0.000 2.881 320 T HA 0.728 5.066 4.350 -0.019 0.000 0.290 320 T C -0.608 174.178 174.700 0.143 0.000 1.000 320 T CA -0.321 61.712 62.100 -0.113 0.000 0.978 320 T CB 0.518 69.181 68.868 -0.341 0.000 0.997 320 T HN 0.240 nan 8.240 nan 0.000 0.443 321 F N -0.234 119.738 119.950 0.037 0.000 2.668 321 F HA 0.705 5.219 4.527 -0.021 0.000 0.309 321 F C -1.168 174.870 175.800 0.397 0.000 1.117 321 F CA -1.332 56.878 58.000 0.351 0.000 0.951 321 F CB 1.103 40.365 39.000 0.436 0.000 1.323 321 F HN 0.327 nan 8.300 nan 0.000 0.451 322 D N 1.039 121.873 120.400 0.724 0.000 2.249 322 D HA 0.112 4.741 4.640 -0.019 0.000 0.246 322 D C -1.183 175.500 176.300 0.638 0.000 1.114 322 D CA -0.034 54.287 54.000 0.536 0.000 0.854 322 D CB 1.080 42.099 40.800 0.365 0.000 1.132 322 D HN 0.776 nan 8.370 nan 0.000 0.461 323 Y N 2.559 123.010 120.300 0.252 0.000 2.801 323 Y HA 0.307 4.846 4.550 -0.018 0.000 0.318 323 Y C 1.268 177.181 175.900 0.023 0.000 1.073 323 Y CA 0.153 58.274 58.100 0.034 0.000 1.360 323 Y CB -0.013 38.397 38.460 -0.083 0.000 1.220 323 Y HN 0.715 nan 8.280 nan 0.000 0.536 324 G N 1.619 110.520 108.800 0.168 0.000 2.149 324 G HA2 -0.361 3.588 3.960 -0.019 0.000 0.235 324 G HA3 -0.361 3.588 3.960 -0.019 0.000 0.235 324 G C 0.300 175.261 174.900 0.102 0.000 1.018 324 G CA 0.490 45.689 45.100 0.165 0.000 0.728 324 G HN 0.620 nan 8.290 nan 0.000 0.508 325 N N 0.060 118.832 118.700 0.119 0.000 2.214 325 N HA 0.152 4.880 4.740 -0.019 0.000 0.214 325 N C 0.782 176.367 175.510 0.124 0.000 1.132 325 N CA -0.056 53.084 53.050 0.150 0.000 0.856 325 N CB -0.125 38.476 38.487 0.189 0.000 1.020 325 N HN 0.316 nan 8.380 nan 0.000 0.509 326 N N -0.094 118.640 118.700 0.056 0.000 2.782 326 N HA -0.195 4.534 4.740 -0.019 0.000 0.251 326 N C 0.339 175.780 175.510 -0.115 0.000 1.101 326 N CA 0.663 53.680 53.050 -0.056 0.000 0.764 326 N CB -1.721 36.685 38.487 -0.135 0.000 1.122 326 N HN 0.580 nan 8.380 nan 0.000 0.561 327 I N -0.204 120.311 120.570 -0.091 0.000 2.394 327 I HA -0.179 3.980 4.170 -0.019 0.000 0.251 327 I C 2.120 178.089 176.117 -0.246 0.000 1.136 327 I CA 1.025 62.227 61.300 -0.164 0.000 1.425 327 I CB 0.028 37.936 38.000 -0.153 0.000 1.079 327 I HN 0.234 nan 8.210 nan 0.000 0.425 328 R N -0.018 120.265 120.500 -0.361 0.000 2.081 328 R HA -0.241 4.087 4.340 -0.019 0.000 0.235 328 R C 2.251 178.241 176.300 -0.516 0.000 1.131 328 R CA 1.625 57.326 56.100 -0.664 0.000 0.960 328 R CB -0.357 29.108 30.300 -1.392 0.000 0.856 328 R HN 0.340 nan 8.270 nan 0.000 0.436 329 Q N 0.411 120.044 119.800 -0.279 0.000 2.084 329 Q HA -0.115 4.214 4.340 -0.019 0.000 0.202 329 Q C 1.942 177.904 176.000 -0.063 0.000 0.978 329 Q CA 1.622 57.423 55.803 -0.003 0.000 0.844 329 Q CB 0.042 28.696 28.738 -0.140 0.000 0.898 329 Q HN 0.155 nan 8.270 nan 0.000 0.426 330 M N -0.433 119.083 119.600 -0.140 0.000 2.117 330 M HA -0.062 4.407 4.480 -0.019 0.000 0.262 330 M C 2.172 178.410 176.300 -0.104 0.000 1.065 330 M CA 1.671 56.902 55.300 -0.115 0.000 1.114 330 M CB -1.446 31.054 32.600 -0.166 0.000 1.361 330 M HN 0.379 nan 8.290 nan 0.000 0.408 331 A N 0.149 122.886 122.820 -0.139 0.000 1.898 331 A HA -0.192 4.117 4.320 -0.019 0.000 0.216 331 A C 2.318 179.869 177.584 -0.056 0.000 1.181 331 A CA 1.946 53.919 52.037 -0.107 0.000 0.620 331 A CB -0.649 18.276 19.000 -0.125 0.000 0.819 331 A HN 0.501 nan 8.150 nan 0.000 0.442 332 K N -0.061 120.317 120.400 -0.038 0.000 2.097 332 K HA -0.174 4.135 4.320 -0.019 0.000 0.206 332 K C 1.761 178.386 176.600 0.041 0.000 1.049 332 K CA 1.667 57.976 56.287 0.037 0.000 0.933 332 K CB -0.162 32.431 32.500 0.154 0.000 0.717 332 K HN 0.616 nan 8.250 nan 0.000 0.442 333 E N -0.008 120.213 120.200 0.034 0.000 2.268 333 E HA -0.119 4.220 4.350 -0.019 0.000 0.195 333 E C 0.935 177.545 176.600 0.017 0.000 0.995 333 E CA 0.575 56.997 56.400 0.037 0.000 0.836 333 E CB 0.238 29.966 29.700 0.047 0.000 0.763 333 E HN 0.242 nan 8.360 nan 0.000 0.491 334 E N -0.598 119.600 120.200 -0.002 0.000 2.437 334 E HA 0.078 4.417 4.350 -0.019 0.000 0.189 334 E C 0.894 177.494 176.600 -0.001 0.000 1.054 334 E CA 0.310 56.705 56.400 -0.008 0.000 0.874 334 E CB 0.871 30.554 29.700 -0.029 0.000 1.011 334 E HN 0.366 nan 8.360 nan 0.000 0.474 335 G N 0.049 108.853 108.800 0.008 0.000 2.201 335 G HA2 -0.253 3.696 3.960 -0.019 0.000 0.212 335 G HA3 -0.253 3.696 3.960 -0.019 0.000 0.212 335 G C 0.384 175.291 174.900 0.012 0.000 0.994 335 G CA 0.047 45.154 45.100 0.012 0.000 0.644 335 G HN 0.152 nan 8.290 nan 0.000 0.508 336 V N 2.206 122.123 119.914 0.005 0.000 2.287 336 V HA 0.519 4.627 4.120 -0.019 0.000 0.246 336 V C 1.781 177.886 176.094 0.019 0.000 1.165 336 V CA 0.774 63.077 62.300 0.005 0.000 1.088 336 V CB 0.175 31.991 31.823 -0.012 0.000 1.242 336 V HN 0.772 nan 8.190 nan 0.000 0.497 337 A N 3.969 126.806 122.820 0.029 0.000 2.019 337 A HA -0.133 4.176 4.320 -0.019 0.000 0.219 337 A C 1.635 179.254 177.584 0.059 0.000 1.164 337 A CA 1.583 53.646 52.037 0.044 0.000 0.644 337 A CB -0.164 18.858 19.000 0.035 0.000 0.805 337 A HN 0.849 nan 8.150 nan 0.000 0.449 338 D N -0.774 119.652 120.400 0.044 0.000 2.491 338 D HA 0.418 5.047 4.640 -0.019 0.000 0.228 338 D C 1.147 177.455 176.300 0.013 0.000 1.183 338 D CA 0.518 54.548 54.000 0.050 0.000 0.827 338 D CB -0.231 40.597 40.800 0.048 0.000 0.989 338 D HN 0.249 nan 8.370 nan 0.000 0.494 339 A N 0.158 122.957 122.820 -0.034 0.000 1.978 339 A HA -0.129 4.179 4.320 -0.019 0.000 0.220 339 A C 1.319 178.589 177.584 -0.523 0.000 1.170 339 A CA 0.719 52.608 52.037 -0.246 0.000 0.636 339 A CB -0.929 17.890 19.000 -0.303 0.000 0.810 339 A HN 0.277 nan 8.150 nan 0.000 0.448 340 F N 0.156 119.972 119.950 -0.223 0.000 2.693 340 F HA 0.095 4.611 4.527 -0.018 0.000 0.303 340 F C 0.999 176.695 175.800 -0.173 0.000 1.143 340 F CA 0.004 57.853 58.000 -0.251 0.000 1.389 340 F CB 0.136 39.054 39.000 -0.137 0.000 1.060 340 F HN 0.134 nan 8.300 nan 0.000 0.535 341 D N 0.193 120.576 120.400 -0.027 0.000 2.348 341 D HA -0.074 4.554 4.640 -0.019 0.000 0.216 341 D C 0.273 176.665 176.300 0.153 0.000 0.970 341 D CA 0.770 54.816 54.000 0.076 0.000 0.889 341 D CB -0.128 40.737 40.800 0.109 0.000 0.912 341 D HN 0.270 nan 8.370 nan 0.000 0.524 342 F N -0.690 119.301 119.950 0.068 0.000 2.492 342 F HA 0.681 5.197 4.527 -0.018 0.000 0.327 342 F C -2.739 173.129 175.800 0.113 0.000 1.079 342 F CA -2.760 55.292 58.000 0.086 0.000 0.967 342 F CB 1.214 40.262 39.000 0.081 0.000 1.169 342 F HN -0.319 nan 8.300 nan 0.000 0.472 343 P HA 0.366 nan 4.420 nan 0.000 0.280 343 P C -0.437 177.056 177.300 0.321 0.000 1.272 343 P CA -0.292 62.939 63.100 0.218 0.000 0.819 343 P CB 1.462 33.233 31.700 0.117 0.000 1.122 344 G N -0.450 108.489 108.800 0.232 0.000 2.507 344 G HA2 0.291 4.239 3.960 -0.019 0.000 0.271 344 G HA3 0.291 4.239 3.960 -0.019 0.000 0.271 344 G C 0.646 175.708 174.900 0.269 0.000 1.189 344 G CA -0.764 44.528 45.100 0.321 0.000 0.859 344 G HN 0.543 nan 8.290 nan 0.000 0.542 345 F N 0.272 120.377 119.950 0.259 0.000 2.269 345 F HA -0.039 4.479 4.527 -0.016 0.000 0.301 345 F C 1.902 177.701 175.800 -0.001 0.000 1.082 345 F CA 0.736 58.822 58.000 0.143 0.000 1.360 345 F CB -0.469 38.746 39.000 0.358 0.000 1.041 345 F HN 0.141 nan 8.300 nan 0.000 0.512 346 V N 2.115 121.581 119.914 -0.746 0.000 2.302 346 V HA -0.102 4.006 4.120 -0.019 0.000 0.243 346 V C -0.114 175.773 176.094 -0.345 0.000 1.036 346 V CA 1.725 63.635 62.300 -0.651 0.000 1.020 346 V CB -1.810 29.612 31.823 -0.669 0.000 0.657 346 V HN 0.208 nan 8.190 nan 0.000 0.453 347 P HA -0.117 nan 4.420 nan 0.000 0.218 347 P C 1.487 178.650 177.300 -0.228 0.000 1.149 347 P CA 2.027 65.031 63.100 -0.159 0.000 0.817 347 P CB 0.019 31.677 31.700 -0.071 0.000 0.785 348 A N -1.485 121.122 122.820 -0.354 0.000 1.897 348 A HA -0.108 4.201 4.320 -0.019 0.000 0.215 348 A C 1.614 178.761 177.584 -0.728 0.000 1.181 348 A CA 1.333 52.970 52.037 -0.667 0.000 0.620 348 A CB -0.986 17.346 19.000 -1.112 0.000 0.821 348 A HN 0.145 nan 8.150 nan 0.000 0.443 349 Y N -2.779 117.419 120.300 -0.169 0.000 2.723 349 Y HA 0.332 4.871 4.550 -0.017 0.000 0.272 349 Y C 1.761 177.517 175.900 -0.240 0.000 1.142 349 Y CA -0.578 57.400 58.100 -0.203 0.000 1.217 349 Y CB 0.377 38.699 38.460 -0.230 0.000 1.391 349 Y HN 0.070 nan 8.280 nan 0.000 0.479 350 I N 0.196 120.663 120.570 -0.171 0.000 3.462 350 I HA 0.076 4.235 4.170 -0.019 0.000 0.290 350 I C 2.210 178.025 176.117 -0.503 0.000 1.236 350 I CA 0.592 61.697 61.300 -0.325 0.000 1.418 350 I CB -0.614 37.147 38.000 -0.397 0.000 1.102 350 I HN 0.164 nan 8.210 nan 0.000 0.441 351 R N 1.911 122.141 120.500 -0.450 0.000 2.117 351 R HA -0.166 4.163 4.340 -0.019 0.000 0.243 351 R C -0.639 175.433 176.300 -0.381 0.000 1.143 351 R CA 1.909 57.750 56.100 -0.432 0.000 0.968 351 R CB -0.943 29.166 30.300 -0.319 0.000 0.863 351 R HN 0.182 nan 8.270 nan 0.000 0.444 352 P HA -0.138 nan 4.420 nan 0.000 0.219 352 P C 0.866 178.064 177.300 -0.170 0.000 1.146 352 P CA 1.156 64.128 63.100 -0.213 0.000 0.808 352 P CB 0.003 31.617 31.700 -0.144 0.000 0.779 353 L N -2.520 118.607 121.223 -0.160 0.000 2.056 353 L HA -0.141 4.187 4.340 -0.019 0.000 0.207 353 L C 2.250 179.130 176.870 0.017 0.000 1.078 353 L CA 1.259 56.076 54.840 -0.039 0.000 0.749 353 L CB -0.955 41.147 42.059 0.071 0.000 0.901 353 L HN -0.064 nan 8.230 nan 0.000 0.433 354 F N -0.252 119.556 119.950 -0.236 0.000 2.216 354 F HA -0.187 4.328 4.527 -0.019 0.000 0.300 354 F C 2.599 178.041 175.800 -0.597 0.000 1.085 354 F CA 0.256 58.005 58.000 -0.417 0.000 1.326 354 F CB -1.539 37.137 39.000 -0.540 0.000 1.027 354 F HN 0.162 nan 8.300 nan 0.000 0.497 355 C N -0.300 118.771 119.300 -0.382 0.000 2.422 355 C HA -0.106 4.343 4.460 -0.019 0.000 0.286 355 C C 2.257 177.160 174.990 -0.144 0.000 1.412 355 C CA 0.590 59.417 59.018 -0.319 0.000 1.786 355 C CB -1.299 26.304 27.740 -0.229 0.000 1.835 355 C HN 0.312 nan 8.230 nan 0.000 0.533 356 R N -0.183 120.254 120.500 -0.105 0.000 2.507 356 R HA 0.240 4.569 4.340 -0.019 0.000 0.298 356 R C 1.507 177.766 176.300 -0.069 0.000 0.999 356 R CA 0.605 56.666 56.100 -0.065 0.000 1.082 356 R CB 0.120 30.395 30.300 -0.042 0.000 1.246 356 R HN 0.462 nan 8.270 nan 0.000 0.553 357 G N 1.014 109.760 108.800 -0.091 0.000 2.155 357 G HA2 -0.270 3.679 3.960 -0.019 0.000 0.257 357 G HA3 -0.270 3.679 3.960 -0.019 0.000 0.257 357 G C 0.275 175.109 174.900 -0.109 0.000 0.983 357 G CA 0.197 45.230 45.100 -0.112 0.000 0.676 357 G HN 0.161 nan 8.290 nan 0.000 0.528 358 V N 0.392 120.283 119.914 -0.038 0.000 2.614 358 V HA 0.688 4.796 4.120 -0.019 0.000 0.291 358 V C 1.053 177.070 176.094 -0.129 0.000 1.049 358 V CA 0.951 63.239 62.300 -0.020 0.000 1.038 358 V CB 1.080 32.975 31.823 0.121 0.000 0.980 358 V HN 1.313 nan 8.190 nan 0.000 0.481 359 G N 5.023 113.504 108.800 -0.531 0.000 2.489 359 G HA2 0.443 4.391 3.960 -0.019 0.000 0.305 359 G HA3 0.443 4.391 3.960 -0.019 0.000 0.305 359 G C -3.112 170.877 174.900 -1.519 0.000 1.311 359 G CA -0.554 43.825 45.100 -1.202 0.000 0.813 359 G HN 0.415 nan 8.290 nan 0.000 0.480 360 P HA 0.226 nan 4.420 nan 0.000 0.225 360 P C -0.354 176.859 177.300 -0.146 0.000 1.768 360 P CA -0.322 62.424 63.100 -0.589 0.000 0.943 360 P CB -0.544 31.118 31.700 -0.062 0.000 1.936 361 F N 3.442 123.230 119.950 -0.271 0.000 2.607 361 F HA 0.089 4.605 4.527 -0.019 0.000 0.374 361 F C 1.034 176.890 175.800 0.093 0.000 1.104 361 F CA 0.346 58.330 58.000 -0.027 0.000 1.296 361 F CB 0.551 39.569 39.000 0.031 0.000 1.085 361 F HN 0.214 nan 8.300 nan 0.000 0.584 362 R N 4.445 124.729 120.500 -0.360 0.000 2.716 362 R HA 0.686 5.015 4.340 -0.019 0.000 0.271 362 R C -2.246 173.971 176.300 -0.138 0.000 1.028 362 R CA -1.085 54.849 56.100 -0.277 0.000 0.883 362 R CB 1.412 31.609 30.300 -0.171 0.000 1.250 362 R HN 0.757 nan 8.270 nan 0.000 0.465 363 W N -0.664 120.533 121.300 -0.172 0.000 3.074 363 W HA 0.842 5.494 4.660 -0.013 0.000 0.332 363 W C -1.948 174.513 176.519 -0.097 0.000 1.253 363 W CA -0.993 56.264 57.345 -0.146 0.000 1.180 363 W CB 1.332 30.723 29.460 -0.115 0.000 1.445 363 W HN 0.853 nan 8.180 nan 0.000 0.573 364 A N 1.144 124.046 122.820 0.137 0.000 2.449 364 A HA 0.879 5.188 4.320 -0.019 0.000 0.302 364 A C -1.075 176.529 177.584 0.035 0.000 1.048 364 A CA -0.714 51.338 52.037 0.025 0.000 0.708 364 A CB 1.288 20.302 19.000 0.025 0.000 1.274 364 A HN 1.565 nan 8.150 nan 0.000 0.410 365 A N 2.017 124.804 122.820 -0.054 0.000 2.343 365 A HA 0.521 4.829 4.320 -0.019 0.000 0.305 365 A C 0.759 178.306 177.584 -0.062 0.000 1.308 365 A CA -0.438 51.546 52.037 -0.088 0.000 0.949 365 A CB -0.563 18.336 19.000 -0.169 0.000 1.148 365 A HN 0.909 nan 8.150 nan 0.000 0.545 366 L N 2.589 123.794 121.223 -0.030 0.000 2.265 366 L HA -0.178 4.151 4.340 -0.019 0.000 0.215 366 L C 2.733 179.630 176.870 0.044 0.000 1.117 366 L CA 1.492 56.358 54.840 0.044 0.000 0.782 366 L CB -0.417 41.704 42.059 0.104 0.000 0.914 366 L HN 0.894 nan 8.230 nan 0.000 0.441 367 S N -0.187 115.497 115.700 -0.027 0.000 2.399 367 S HA -0.098 4.361 4.470 -0.019 0.000 0.231 367 S C 1.772 176.364 174.600 -0.012 0.000 1.022 367 S CA 0.934 59.131 58.200 -0.005 0.000 0.983 367 S CB -0.307 62.859 63.200 -0.055 0.000 0.803 367 S HN 0.570 nan 8.310 nan 0.000 0.480 368 G N 0.548 109.315 108.800 -0.055 0.000 2.176 368 G HA2 -0.225 3.724 3.960 -0.019 0.000 0.253 368 G HA3 -0.225 3.724 3.960 -0.019 0.000 0.253 368 G C -0.272 174.552 174.900 -0.127 0.000 0.979 368 G CA 0.175 45.229 45.100 -0.077 0.000 0.641 368 G HN 0.622 nan 8.290 nan 0.000 0.530 369 E N 0.320 120.433 120.200 -0.145 0.000 2.167 369 E HA 0.593 4.932 4.350 -0.019 0.000 0.284 369 E C 1.457 177.886 176.600 -0.286 0.000 1.016 369 E CA -0.020 56.285 56.400 -0.159 0.000 0.817 369 E CB 1.282 30.917 29.700 -0.108 0.000 1.080 369 E HN 0.379 nan 8.360 nan 0.000 0.397 370 A N 3.704 126.335 122.820 -0.315 0.000 1.940 370 A HA -0.267 4.042 4.320 -0.019 0.000 0.219 370 A C 1.953 179.123 177.584 -0.691 0.000 1.176 370 A CA 1.749 53.459 52.037 -0.545 0.000 0.631 370 A CB -0.267 18.589 19.000 -0.239 0.000 0.814 370 A HN 0.766 nan 8.150 nan 0.000 0.446 371 E N -0.423 119.571 120.200 -0.344 0.000 2.204 371 E HA -0.208 4.130 4.350 -0.019 0.000 0.195 371 E C 1.178 177.691 176.600 -0.146 0.000 0.990 371 E CA 1.064 57.367 56.400 -0.162 0.000 0.821 371 E CB -0.070 29.638 29.700 0.014 0.000 0.750 371 E HN 0.531 nan 8.360 nan 0.000 0.477 372 D N 0.280 120.568 120.400 -0.186 0.000 2.117 372 D HA -0.161 4.467 4.640 -0.019 0.000 0.197 372 D C 1.765 177.978 176.300 -0.145 0.000 0.987 372 D CA 0.760 54.669 54.000 -0.152 0.000 0.829 372 D CB -0.005 40.696 40.800 -0.166 0.000 0.961 372 D HN 0.246 nan 8.370 nan 0.000 0.460 373 I N 0.369 120.805 120.570 -0.223 0.000 2.315 373 I HA -0.229 3.930 4.170 -0.019 0.000 0.248 373 I C 2.042 178.234 176.117 0.125 0.000 1.117 373 I CA 0.885 62.150 61.300 -0.059 0.000 1.404 373 I CB -1.031 36.874 38.000 -0.159 0.000 1.071 373 I HN 0.052 nan 8.210 nan 0.000 0.419 374 Y N 1.662 122.020 120.300 0.097 0.000 2.224 374 Y HA -0.170 4.366 4.550 -0.023 0.000 0.289 374 Y C 2.529 178.460 175.900 0.053 0.000 1.146 374 Y CA 0.711 58.863 58.100 0.085 0.000 1.182 374 Y CB -1.103 37.399 38.460 0.070 0.000 0.983 374 Y HN 0.194 nan 8.280 nan 0.000 0.524 375 K N -0.358 120.133 120.400 0.151 0.000 2.057 375 K HA -0.134 4.175 4.320 -0.019 0.000 0.206 375 K C 2.152 178.777 176.600 0.042 0.000 1.050 375 K CA 1.957 58.288 56.287 0.073 0.000 0.935 375 K CB -0.475 32.032 32.500 0.013 0.000 0.715 375 K HN 0.460 nan 8.250 nan 0.000 0.439 376 T N -0.165 114.376 114.554 -0.022 0.000 2.788 376 T HA -0.147 4.192 4.350 -0.019 0.000 0.268 376 T C 1.439 176.249 174.700 0.182 0.000 1.044 376 T CA 1.382 63.410 62.100 -0.120 0.000 1.139 376 T CB -0.285 68.263 68.868 -0.532 0.000 0.867 376 T HN 0.014 nan 8.240 nan 0.000 0.454 377 D N 2.115 122.675 120.400 0.267 0.000 2.117 377 D HA 0.013 4.642 4.640 -0.019 0.000 0.197 377 D C 2.492 178.888 176.300 0.160 0.000 0.987 377 D CA 1.531 55.696 54.000 0.275 0.000 0.829 377 D CB -0.694 40.245 40.800 0.232 0.000 0.961 377 D HN 0.577 nan 8.370 nan 0.000 0.460 378 A N 0.680 123.574 122.820 0.122 0.000 1.933 378 A HA -0.195 4.114 4.320 -0.019 0.000 0.218 378 A C 2.082 179.713 177.584 0.079 0.000 1.175 378 A CA 1.880 53.960 52.037 0.072 0.000 0.628 378 A CB -0.351 18.689 19.000 0.067 0.000 0.814 378 A HN 0.092 nan 8.150 nan 0.000 0.444 379 K N -0.030 120.441 120.400 0.117 0.000 2.097 379 K HA -0.029 4.279 4.320 -0.019 0.000 0.205 379 K C 1.637 178.322 176.600 0.142 0.000 1.050 379 K CA 1.721 58.089 56.287 0.134 0.000 0.938 379 K CB -0.680 31.933 32.500 0.189 0.000 0.718 379 K HN 0.187 nan 8.250 nan 0.000 0.442 380 V N 1.461 121.493 119.914 0.197 0.000 2.343 380 V HA -0.252 3.857 4.120 -0.019 0.000 0.247 380 V C 2.117 178.261 176.094 0.084 0.000 1.051 380 V CA 2.035 64.440 62.300 0.175 0.000 1.036 380 V CB -0.444 31.564 31.823 0.308 0.000 0.654 380 V HN 0.348 nan 8.190 nan 0.000 0.451 381 K N -0.057 120.330 120.400 -0.021 0.000 2.103 381 K HA -0.261 4.048 4.320 -0.019 0.000 0.207 381 K C 2.220 178.853 176.600 0.056 0.000 1.048 381 K CA 1.849 58.015 56.287 -0.203 0.000 0.930 381 K CB -0.191 32.090 32.500 -0.365 0.000 0.716 381 K HN 0.639 nan 8.250 nan 0.000 0.444 382 E N 1.220 121.460 120.200 0.065 0.000 2.107 382 E HA -0.149 4.190 4.350 -0.019 0.000 0.191 382 E C 1.848 178.497 176.600 0.081 0.000 0.982 382 E CA 0.687 57.136 56.400 0.082 0.000 0.809 382 E CB 0.074 29.811 29.700 0.063 0.000 0.756 382 E HN 0.253 nan 8.360 nan 0.000 0.459 383 L N 0.568 121.834 121.223 0.070 0.000 2.395 383 L HA 0.095 4.423 4.340 -0.019 0.000 0.218 383 L C 1.035 177.946 176.870 0.068 0.000 1.130 383 L CA 0.415 55.283 54.840 0.047 0.000 0.826 383 L CB 0.221 42.284 42.059 0.007 0.000 0.941 383 L HN 0.161 nan 8.230 nan 0.000 0.451 384 I N 0.727 121.372 120.570 0.125 0.000 2.905 384 I HA 0.147 4.305 4.170 -0.019 0.000 0.297 384 I C -1.658 174.623 176.117 0.273 0.000 1.358 384 I CA -0.934 60.465 61.300 0.165 0.000 0.975 384 I CB 1.020 39.128 38.000 0.181 0.000 1.857 384 I HN -0.128 nan 8.210 nan 0.000 0.612 385 P HA -0.024 nan 4.420 nan 0.000 0.229 385 P C 0.249 177.565 177.300 0.027 0.000 1.160 385 P CA 1.113 64.326 63.100 0.189 0.000 0.777 385 P CB 0.382 32.146 31.700 0.106 0.000 0.814 386 D N -0.232 120.183 120.400 0.024 0.000 2.559 386 D HA 0.076 4.705 4.640 -0.019 0.000 0.234 386 D C -0.216 176.066 176.300 -0.029 0.000 1.226 386 D CA 0.169 54.147 54.000 -0.035 0.000 0.830 386 D CB 0.177 40.975 40.800 -0.003 0.000 1.028 386 D HN 0.087 nan 8.370 nan 0.000 0.492 387 D N 0.683 121.074 120.400 -0.015 0.000 2.462 387 D HA 0.317 4.945 4.640 -0.019 0.000 0.249 387 D C 0.965 177.293 176.300 0.046 0.000 1.117 387 D CA -0.628 53.415 54.000 0.071 0.000 0.900 387 D CB 1.123 42.025 40.800 0.170 0.000 1.039 387 D HN -0.038 nan 8.370 nan 0.000 0.516 388 A N 3.143 125.957 122.820 -0.010 0.000 2.014 388 A HA -0.175 4.134 4.320 -0.019 0.000 0.218 388 A C 1.849 179.529 177.584 0.161 0.000 1.163 388 A CA 1.310 53.347 52.037 -0.000 0.000 0.652 388 A CB -0.592 18.404 19.000 -0.007 0.000 0.808 388 A HN 0.731 nan 8.150 nan 0.000 0.449 389 H N -0.215 118.927 119.070 0.120 0.000 2.352 389 H HA -0.082 4.464 4.556 -0.017 0.000 0.299 389 H C 1.789 177.276 175.328 0.265 0.000 1.097 389 H CA 1.955 58.110 56.048 0.179 0.000 1.311 389 H CB -0.193 29.654 29.762 0.142 0.000 1.377 389 H HN 0.381 nan 8.280 nan 0.000 0.504 390 L N -0.704 120.710 121.223 0.318 0.000 2.056 390 L HA -0.172 4.157 4.340 -0.019 0.000 0.207 390 L C 2.082 179.161 176.870 0.348 0.000 1.078 390 L CA 1.511 56.556 54.840 0.342 0.000 0.749 390 L CB -0.340 41.939 42.059 0.367 0.000 0.901 390 L HN 0.349 nan 8.230 nan 0.000 0.433 391 H N -0.705 118.452 119.070 0.146 0.000 2.353 391 H HA -0.158 4.386 4.556 -0.019 0.000 0.300 391 H C 2.234 177.591 175.328 0.049 0.000 1.090 391 H CA 1.591 57.701 56.048 0.102 0.000 1.327 391 H CB -0.164 29.645 29.762 0.078 0.000 1.383 391 H HN 0.180 nan 8.280 nan 0.000 0.508 392 R N 0.575 121.174 120.500 0.165 0.000 2.096 392 R HA -0.128 4.200 4.340 -0.019 0.000 0.235 392 R C 2.286 178.561 176.300 -0.042 0.000 1.127 392 R CA 1.355 57.478 56.100 0.039 0.000 0.968 392 R CB -1.012 29.307 30.300 0.032 0.000 0.861 392 R HN 0.586 nan 8.270 nan 0.000 0.440 393 W N 0.741 121.943 121.300 -0.162 0.000 2.317 393 W HA -0.254 4.398 4.660 -0.013 0.000 0.318 393 W C 1.244 177.684 176.519 -0.132 0.000 1.227 393 W CA 1.579 58.793 57.345 -0.218 0.000 1.269 393 W CB -0.389 28.966 29.460 -0.175 0.000 1.155 393 W HN 0.164 nan 8.180 nan 0.000 0.484 394 L N 0.575 121.715 121.223 -0.139 0.000 2.141 394 L HA -0.222 4.107 4.340 -0.019 0.000 0.209 394 L C 2.220 178.929 176.870 -0.269 0.000 1.094 394 L CA 1.441 56.160 54.840 -0.201 0.000 0.763 394 L CB -0.933 41.139 42.059 0.021 0.000 0.908 394 L HN -0.137 nan 8.230 nan 0.000 0.437 395 D N -0.096 120.178 120.400 -0.211 0.000 2.117 395 D HA -0.156 4.473 4.640 -0.019 0.000 0.198 395 D C 2.351 178.467 176.300 -0.307 0.000 0.982 395 D CA 1.286 55.163 54.000 -0.206 0.000 0.828 395 D CB -0.070 40.656 40.800 -0.124 0.000 0.967 395 D HN 0.276 nan 8.370 nan 0.000 0.464 396 M N 0.453 119.806 119.600 -0.413 0.000 2.159 396 M HA -0.101 4.368 4.480 -0.019 0.000 0.263 396 M C 2.303 178.228 176.300 -0.625 0.000 1.063 396 M CA 1.175 56.175 55.300 -0.500 0.000 1.110 396 M CB -0.180 32.076 32.600 -0.574 0.000 1.374 396 M HN -0.030 nan 8.290 nan 0.000 0.411 397 A N 0.555 122.875 122.820 -0.833 0.000 1.865 397 A HA -0.227 4.082 4.320 -0.019 0.000 0.217 397 A C 2.112 179.425 177.584 -0.452 0.000 1.191 397 A CA 2.112 53.721 52.037 -0.713 0.000 0.623 397 A CB -0.663 17.906 19.000 -0.718 0.000 0.826 397 A HN 0.373 nan 8.150 nan 0.000 0.444 398 R N 0.275 120.559 120.500 -0.359 0.000 2.091 398 R HA -0.164 4.165 4.340 -0.019 0.000 0.238 398 R C 2.044 178.160 176.300 -0.307 0.000 1.136 398 R CA 2.260 58.186 56.100 -0.291 0.000 0.959 398 R CB -0.528 29.616 30.300 -0.259 0.000 0.856 398 R HN 0.724 nan 8.270 nan 0.000 0.437 399 E N -1.108 118.910 120.200 -0.304 0.000 2.112 399 E HA -0.084 4.255 4.350 -0.019 0.000 0.190 399 E C 1.147 177.584 176.600 -0.272 0.000 0.979 399 E CA 0.698 56.942 56.400 -0.259 0.000 0.814 399 E CB 0.240 29.801 29.700 -0.232 0.000 0.762 399 E HN 0.103 nan 8.360 nan 0.000 0.460 400 R N -0.421 119.880 120.500 -0.331 0.000 2.453 400 R HA 0.323 4.652 4.340 -0.019 0.000 0.233 400 R C 0.081 176.139 176.300 -0.403 0.000 0.895 400 R CA -0.044 55.855 56.100 -0.334 0.000 1.028 400 R CB 0.732 30.833 30.300 -0.331 0.000 1.255 400 R HN 0.150 nan 8.270 nan 0.000 0.571 401 I N 1.554 121.869 120.570 -0.426 0.000 2.304 401 I HA 0.159 4.318 4.170 -0.019 0.000 0.291 401 I C 0.087 175.967 176.117 -0.395 0.000 1.018 401 I CA -0.148 60.897 61.300 -0.423 0.000 1.260 401 I CB 1.698 39.495 38.000 -0.338 0.000 1.390 401 I HN -0.196 nan 8.210 nan 0.000 0.475 402 S N 5.499 121.026 115.700 -0.287 0.000 2.586 402 S HA 0.481 4.940 4.470 -0.019 0.000 0.274 402 S C -0.202 174.340 174.600 -0.096 0.000 1.281 402 S CA -0.534 57.533 58.200 -0.222 0.000 1.035 402 S CB 0.538 63.692 63.200 -0.076 0.000 0.962 402 S HN 0.192 nan 8.310 nan 0.000 0.512 403 F N 2.000 121.966 119.950 0.028 0.000 2.459 403 F HA 0.265 4.787 4.527 -0.007 0.000 0.346 403 F C 1.068 176.902 175.800 0.057 0.000 1.128 403 F CA -0.184 57.831 58.000 0.024 0.000 1.268 403 F CB 0.337 39.334 39.000 -0.006 0.000 1.161 403 F HN 0.412 nan 8.300 nan 0.000 0.583 404 Q N 1.117 121.080 119.800 0.272 0.000 2.310 404 Q HA 0.519 4.848 4.340 -0.019 0.000 0.270 404 Q C 0.452 176.538 176.000 0.145 0.000 1.025 404 Q CA -0.302 55.616 55.803 0.192 0.000 0.772 404 Q CB 2.074 30.908 28.738 0.159 0.000 1.253 404 Q HN 0.949 nan 8.270 nan 0.000 0.450 405 G N 1.849 110.727 108.800 0.131 0.000 2.547 405 G HA2 -0.317 3.632 3.960 -0.019 0.000 0.271 405 G HA3 -0.317 3.632 3.960 -0.019 0.000 0.271 405 G C -0.289 174.632 174.900 0.036 0.000 1.209 405 G CA -0.668 44.487 45.100 0.092 0.000 0.959 405 G HN 0.549 nan 8.290 nan 0.000 0.563 406 L N 2.320 123.552 121.223 0.014 0.000 2.540 406 L HA 0.226 4.555 4.340 -0.019 0.000 0.276 406 L C -1.654 175.114 176.870 -0.171 0.000 1.212 406 L CA -1.079 53.725 54.840 -0.059 0.000 0.893 406 L CB 0.292 42.340 42.059 -0.018 0.000 1.138 406 L HN 0.284 nan 8.230 nan 0.000 0.491 407 P HA 0.096 nan 4.420 nan 0.000 0.262 407 P C -0.801 176.180 177.300 -0.532 0.000 1.182 407 P CA 0.282 62.830 63.100 -0.920 0.000 0.761 407 P CB 0.841 31.747 31.700 -1.324 0.000 0.795 408 A N 3.001 125.599 122.820 -0.371 0.000 2.594 408 A HA 0.866 5.175 4.320 -0.019 0.000 0.291 408 A C -1.108 176.374 177.584 -0.169 0.000 1.105 408 A CA -0.582 51.319 52.037 -0.226 0.000 0.694 408 A CB 1.795 20.715 19.000 -0.134 0.000 1.291 408 A HN 0.403 nan 8.150 nan 0.000 0.410 409 R N 0.079 120.278 120.500 -0.502 0.000 2.564 409 R HA 0.649 4.978 4.340 -0.019 0.000 0.284 409 R C -1.881 174.055 176.300 -0.607 0.000 1.031 409 R CA -0.504 55.264 56.100 -0.553 0.000 0.904 409 R CB 1.176 30.958 30.300 -0.864 0.000 1.199 409 R HN 0.840 nan 8.270 nan 0.000 0.443 410 I N 3.717 124.191 120.570 -0.160 0.000 2.365 410 I HA 0.502 4.661 4.170 -0.019 0.000 0.291 410 I C -1.158 175.079 176.117 0.200 0.000 1.004 410 I CA -0.359 60.958 61.300 0.028 0.000 1.311 410 I CB 1.249 39.379 38.000 0.218 0.000 1.401 410 I HN 0.710 nan 8.210 nan 0.000 0.491 411 C N 8.305 127.749 119.300 0.241 0.000 3.102 411 C HA 0.340 4.789 4.460 -0.019 0.000 0.363 411 C C -1.337 173.951 174.990 0.498 0.000 1.048 411 C CA -0.721 58.544 59.018 0.412 0.000 1.330 411 C CB -0.638 27.432 27.740 0.549 0.000 1.771 411 C HN 0.771 nan 8.230 nan 0.000 0.526 412 W N 5.632 126.974 121.300 0.069 0.000 2.591 412 W HA 0.456 5.105 4.660 -0.018 0.000 0.330 412 W C 0.510 177.097 176.519 0.113 0.000 1.435 412 W CA 0.487 57.883 57.345 0.086 0.000 1.350 412 W CB 0.514 29.960 29.460 -0.023 0.000 1.434 412 W HN 0.686 nan 8.180 nan 0.000 0.553 413 V N 2.226 122.231 119.914 0.150 0.000 3.114 413 V HA 1.040 5.149 4.120 -0.019 0.000 0.308 413 V C -0.083 175.922 176.094 -0.149 0.000 1.168 413 V CA -0.825 61.482 62.300 0.012 0.000 1.015 413 V CB 1.416 33.217 31.823 -0.037 0.000 1.050 413 V HN 0.527 nan 8.190 nan 0.000 0.433 414 G N 0.595 109.313 108.800 -0.135 0.000 3.212 414 G HA2 0.602 4.551 3.960 -0.019 0.000 0.188 414 G HA3 0.602 4.551 3.960 -0.019 0.000 0.188 414 G C -0.877 173.916 174.900 -0.178 0.000 1.254 414 G CA -0.962 44.045 45.100 -0.154 0.000 0.957 414 G HN 1.094 nan 8.290 nan 0.000 0.596 415 L N 1.027 122.171 121.223 -0.130 0.000 2.513 415 L HA 0.442 4.771 4.340 -0.019 0.000 0.272 415 L C 1.352 178.158 176.870 -0.105 0.000 1.187 415 L CA 2.295 57.065 54.840 -0.118 0.000 0.895 415 L CB 0.364 42.373 42.059 -0.083 0.000 1.147 415 L HN 1.540 nan 8.230 nan 0.000 0.483 416 G N 3.517 112.248 108.800 -0.116 0.000 3.211 416 G HA2 -0.288 3.661 3.960 -0.019 0.000 0.206 416 G HA3 -0.288 3.661 3.960 -0.019 0.000 0.206 416 G C 0.786 175.610 174.900 -0.127 0.000 1.418 416 G CA 0.172 45.213 45.100 -0.098 0.000 0.958 416 G HN 0.586 nan 8.290 nan 0.000 0.567 417 L N 1.041 122.177 121.223 -0.145 0.000 2.240 417 L HA 0.167 4.496 4.340 -0.019 0.000 0.211 417 L C 3.072 179.774 176.870 -0.280 0.000 1.106 417 L CA 1.190 55.932 54.840 -0.165 0.000 0.793 417 L CB -0.364 41.627 42.059 -0.115 0.000 0.927 417 L HN 0.274 nan 8.230 nan 0.000 0.446 418 R N 0.215 120.468 120.500 -0.412 0.000 2.083 418 R HA -0.177 4.151 4.340 -0.019 0.000 0.237 418 R C 2.415 178.525 176.300 -0.317 0.000 1.137 418 R CA 1.575 57.280 56.100 -0.657 0.000 0.951 418 R CB -0.536 29.309 30.300 -0.758 0.000 0.851 418 R HN 0.349 nan 8.270 nan 0.000 0.434 419 A N 1.275 123.968 122.820 -0.212 0.000 1.930 419 A HA -0.176 4.132 4.320 -0.019 0.000 0.217 419 A C 2.067 179.556 177.584 -0.159 0.000 1.175 419 A CA 1.320 53.274 52.037 -0.138 0.000 0.627 419 A CB -0.319 18.621 19.000 -0.100 0.000 0.815 419 A HN 0.232 nan 8.150 nan 0.000 0.443 420 K N -0.166 120.132 120.400 -0.170 0.000 2.063 420 K HA -0.091 4.218 4.320 -0.019 0.000 0.208 420 K C 1.853 178.297 176.600 -0.260 0.000 1.048 420 K CA 1.443 57.630 56.287 -0.167 0.000 0.928 420 K CB -0.304 32.117 32.500 -0.133 0.000 0.713 420 K HN 0.488 nan 8.250 nan 0.000 0.442 421 L N -0.279 120.735 121.223 -0.349 0.000 2.027 421 L HA -0.099 4.230 4.340 -0.019 0.000 0.206 421 L C 2.606 178.922 176.870 -0.924 0.000 1.074 421 L CA 1.497 55.925 54.840 -0.688 0.000 0.745 421 L CB -0.790 40.890 42.059 -0.631 0.000 0.898 421 L HN 0.439 nan 8.230 nan 0.000 0.433 422 G N -0.112 108.411 108.800 -0.461 0.000 2.422 422 G HA2 -0.161 3.788 3.960 -0.019 0.000 0.218 422 G HA3 -0.161 3.788 3.960 -0.019 0.000 0.218 422 G C 1.662 176.434 174.900 -0.213 0.000 1.140 422 G CA 0.302 45.221 45.100 -0.302 0.000 0.775 422 G HN 0.190 nan 8.290 nan 0.000 0.545 423 L N 0.577 121.690 121.223 -0.183 0.000 2.056 423 L HA -0.036 4.293 4.340 -0.019 0.000 0.207 423 L C 3.400 180.208 176.870 -0.102 0.000 1.078 423 L CA 0.958 55.733 54.840 -0.108 0.000 0.749 423 L CB -0.375 41.631 42.059 -0.088 0.000 0.901 423 L HN 0.301 nan 8.230 nan 0.000 0.433 424 A N 0.078 122.795 122.820 -0.171 0.000 1.902 424 A HA -0.210 4.099 4.320 -0.019 0.000 0.217 424 A C 2.020 179.631 177.584 0.045 0.000 1.181 424 A CA 1.489 53.472 52.037 -0.090 0.000 0.623 424 A CB -0.688 18.231 19.000 -0.134 0.000 0.818 424 A HN 0.294 nan 8.150 nan 0.000 0.443 425 F N 0.283 120.149 119.950 -0.141 0.000 2.171 425 F HA -0.130 4.386 4.527 -0.018 0.000 0.300 425 F C 2.152 177.877 175.800 -0.125 0.000 1.090 425 F CA 1.072 58.968 58.000 -0.173 0.000 1.293 425 F CB -1.452 37.387 39.000 -0.269 0.000 1.013 425 F HN 0.330 nan 8.300 nan 0.000 0.486 426 N N 0.226 118.975 118.700 0.082 0.000 2.166 426 N HA -0.165 4.564 4.740 -0.019 0.000 0.186 426 N C 1.695 177.210 175.510 0.008 0.000 1.019 426 N CA 1.129 54.193 53.050 0.022 0.000 0.856 426 N CB -0.067 38.423 38.487 0.004 0.000 0.993 426 N HN 0.067 nan 8.380 nan 0.000 0.426 427 E N -0.073 120.134 120.200 0.012 0.000 2.150 427 E HA -0.108 4.230 4.350 -0.019 0.000 0.193 427 E C 1.891 178.495 176.600 0.007 0.000 0.985 427 E CA 0.729 57.133 56.400 0.007 0.000 0.814 427 E CB -0.178 29.525 29.700 0.004 0.000 0.752 427 E HN 0.576 nan 8.360 nan 0.000 0.466 428 M N -0.015 119.597 119.600 0.020 0.000 2.175 428 M HA -0.125 4.343 4.480 -0.019 0.000 0.264 428 M C 2.330 178.612 176.300 -0.030 0.000 1.063 428 M CA 0.900 56.201 55.300 0.002 0.000 1.119 428 M CB -0.117 32.488 32.600 0.009 0.000 1.377 428 M HN -0.073 nan 8.290 nan 0.000 0.415 429 V N 0.107 119.996 119.914 -0.043 0.000 2.358 429 V HA -0.239 3.869 4.120 -0.019 0.000 0.246 429 V C 2.408 178.467 176.094 -0.058 0.000 1.047 429 V CA 1.779 64.030 62.300 -0.081 0.000 1.035 429 V CB -0.794 30.961 31.823 -0.113 0.000 0.658 429 V HN 0.471 nan 8.190 nan 0.000 0.452 430 R N 0.832 121.312 120.500 -0.033 0.000 2.096 430 R HA -0.171 4.158 4.340 -0.019 0.000 0.235 430 R C 2.441 178.735 176.300 -0.010 0.000 1.127 430 R CA 1.973 58.063 56.100 -0.017 0.000 0.968 430 R CB -0.304 29.993 30.300 -0.005 0.000 0.861 430 R HN 0.655 nan 8.270 nan 0.000 0.440 431 S N -1.433 114.261 115.700 -0.010 0.000 2.522 431 S HA 0.080 4.539 4.470 -0.019 0.000 0.227 431 S C 1.368 175.963 174.600 -0.007 0.000 0.986 431 S CA 0.722 58.920 58.200 -0.004 0.000 0.929 431 S CB 0.373 63.572 63.200 -0.001 0.000 0.769 431 S HN 0.619 nan 8.310 nan 0.000 0.529 432 G N 1.194 109.983 108.800 -0.018 0.000 2.176 432 G HA2 -0.342 3.607 3.960 -0.019 0.000 0.253 432 G HA3 -0.342 3.607 3.960 -0.019 0.000 0.253 432 G C 0.560 175.447 174.900 -0.022 0.000 0.979 432 G CA 0.551 45.639 45.100 -0.020 0.000 0.641 432 G HN 0.585 nan 8.290 nan 0.000 0.530 433 E N -0.402 119.786 120.200 -0.020 0.000 2.077 433 E HA 0.019 4.357 4.350 -0.019 0.000 0.193 433 E C 1.166 177.744 176.600 -0.037 0.000 0.989 433 E CA 0.473 56.862 56.400 -0.018 0.000 0.800 433 E CB -0.080 29.615 29.700 -0.009 0.000 0.746 433 E HN 0.616 nan 8.360 nan 0.000 0.452 434 L N 1.125 122.312 121.223 -0.060 0.000 2.326 434 L HA 0.096 4.425 4.340 -0.019 0.000 0.278 434 L C 1.445 178.261 176.870 -0.091 0.000 1.092 434 L CA -0.190 54.595 54.840 -0.091 0.000 0.810 434 L CB 1.609 43.589 42.059 -0.132 0.000 1.153 434 L HN 0.072 nan 8.230 nan 0.000 0.439 435 S N 1.104 116.751 115.700 -0.090 0.000 2.527 435 S HA 0.323 4.782 4.470 -0.019 0.000 0.222 435 S C 0.489 175.034 174.600 -0.092 0.000 0.985 435 S CA 0.230 58.390 58.200 -0.067 0.000 0.921 435 S CB 0.214 63.388 63.200 -0.043 0.000 0.772 435 S HN 0.720 nan 8.310 nan 0.000 0.529 436 A N 0.793 123.511 122.820 -0.170 0.000 2.602 436 A HA 0.786 5.094 4.320 -0.019 0.000 0.290 436 A C -3.215 174.099 177.584 -0.451 0.000 1.114 436 A CA -1.863 49.976 52.037 -0.330 0.000 0.683 436 A CB 0.180 19.023 19.000 -0.262 0.000 1.281 436 A HN 0.181 nan 8.150 nan 0.000 0.416 437 P HA 0.297 nan 4.420 nan 0.000 0.269 437 P C -0.363 176.760 177.300 -0.295 0.000 1.211 437 P CA 0.074 62.855 63.100 -0.533 0.000 0.781 437 P CB 0.403 31.655 31.700 -0.747 0.000 0.877 438 V N -0.627 119.192 119.914 -0.159 0.000 2.815 438 V HA 0.712 4.821 4.120 -0.019 0.000 0.314 438 V C -0.129 175.976 176.094 0.018 0.000 1.064 438 V CA -1.115 61.149 62.300 -0.060 0.000 0.952 438 V CB 1.737 33.513 31.823 -0.078 0.000 1.020 438 V HN 0.390 nan 8.190 nan 0.000 0.439 439 V N 1.595 121.554 119.914 0.076 0.000 2.532 439 V HA 0.707 4.815 4.120 -0.019 0.000 0.295 439 V C -0.225 175.914 176.094 0.075 0.000 1.041 439 V CA -0.586 61.762 62.300 0.079 0.000 0.926 439 V CB 1.238 33.142 31.823 0.134 0.000 0.992 439 V HN 0.828 nan 8.190 nan 0.000 0.457 440 I N 3.873 124.446 120.570 0.005 0.000 2.406 440 I HA 0.834 4.993 4.170 -0.019 0.000 0.290 440 I C 0.693 176.735 176.117 -0.124 0.000 0.999 440 I CA -0.059 61.219 61.300 -0.037 0.000 1.124 440 I CB 1.645 39.635 38.000 -0.016 0.000 1.289 440 I HN 0.998 nan 8.210 nan 0.000 0.441 441 G N 5.288 113.996 108.800 -0.154 0.000 3.003 441 G HA2 0.845 4.794 3.960 -0.019 0.000 0.243 441 G HA3 0.845 4.794 3.960 -0.019 0.000 0.243 441 G C -1.358 173.490 174.900 -0.087 0.000 1.176 441 G CA -0.652 44.370 45.100 -0.130 0.000 0.812 441 G HN 0.687 nan 8.290 nan 0.000 0.584 442 R N -0.901 119.579 120.500 -0.034 0.000 2.828 442 R HA 0.403 4.732 4.340 -0.019 0.000 0.280 442 R C -1.898 174.433 176.300 0.052 0.000 1.020 442 R CA -0.826 55.275 56.100 0.000 0.000 0.855 442 R CB 0.558 30.864 30.300 0.009 0.000 1.278 442 R HN 0.496 nan 8.270 nan 0.000 0.495 443 D N -0.197 120.237 120.400 0.057 0.000 2.363 443 D HA 0.072 4.700 4.640 -0.019 0.000 0.240 443 D C 0.579 176.987 176.300 0.179 0.000 1.236 443 D CA -0.004 54.064 54.000 0.113 0.000 0.927 443 D CB 0.552 41.404 40.800 0.088 0.000 1.150 443 D HN 0.629 nan 8.370 nan 0.000 0.458 444 H N 0.085 119.144 119.070 -0.019 0.000 2.529 444 H HA 0.035 4.580 4.556 -0.018 0.000 0.277 444 H C 0.601 175.890 175.328 -0.065 0.000 0.999 444 H CA -0.296 55.732 56.048 -0.034 0.000 1.256 444 H CB 0.317 30.084 29.762 0.008 0.000 1.402 444 H HN 0.175 nan 8.280 nan 0.000 0.566 445 L N 2.498 123.767 121.223 0.076 0.000 2.485 445 L HA 0.093 4.422 4.340 -0.019 0.000 0.279 445 L C -0.870 175.950 176.870 -0.084 0.000 1.124 445 L CA 0.169 55.038 54.840 0.049 0.000 0.888 445 L CB 0.103 42.272 42.059 0.183 0.000 1.217 445 L HN 0.104 nan 8.230 nan 0.000 0.464 446 D N 1.097 121.304 120.400 -0.322 0.000 2.710 446 D HA 0.163 4.791 4.640 -0.019 0.000 0.276 446 D C 0.653 176.451 176.300 -0.836 0.000 1.267 446 D CA 0.236 53.905 54.000 -0.552 0.000 0.772 446 D CB 1.555 42.178 40.800 -0.296 0.000 1.299 446 D HN 0.384 nan 8.370 nan 0.000 0.421 447 S N -0.155 115.026 115.700 -0.864 0.000 2.399 447 S HA 0.037 4.496 4.470 -0.019 0.000 0.231 447 S C 1.579 176.012 174.600 -0.277 0.000 1.022 447 S CA 1.276 59.045 58.200 -0.717 0.000 0.983 447 S CB -0.139 62.804 63.200 -0.427 0.000 0.803 447 S HN 0.522 nan 8.310 nan 0.000 0.480 448 G N 0.347 109.018 108.800 -0.215 0.000 3.377 448 G HA2 0.336 4.285 3.960 -0.019 0.000 0.257 448 G HA3 0.336 4.285 3.960 -0.019 0.000 0.257 448 G C 0.767 175.634 174.900 -0.055 0.000 1.038 448 G CA 0.286 45.324 45.100 -0.104 0.000 0.809 448 G HN 0.676 nan 8.290 nan 0.000 0.526 449 S N -0.961 114.681 115.700 -0.096 0.000 2.650 449 S HA 0.514 4.973 4.470 -0.019 0.000 0.240 449 S C -0.193 174.425 174.600 0.031 0.000 1.007 449 S CA -0.360 57.812 58.200 -0.046 0.000 0.984 449 S CB 0.996 64.133 63.200 -0.105 0.000 0.910 449 S HN 0.455 nan 8.310 nan 0.000 0.509 450 V N 0.727 120.665 119.914 0.040 0.000 2.891 450 V HA 0.689 4.798 4.120 -0.019 0.000 0.304 450 V C -1.732 174.434 176.094 0.119 0.000 1.171 450 V CA -0.272 62.103 62.300 0.125 0.000 0.943 450 V CB 2.185 34.065 31.823 0.096 0.000 1.037 450 V HN 0.299 nan 8.190 nan 0.000 0.427 451 S N 4.005 119.810 115.700 0.174 0.000 2.552 451 S HA 0.740 5.199 4.470 -0.019 0.000 0.314 451 S C -0.534 174.177 174.600 0.185 0.000 1.099 451 S CA -0.394 57.905 58.200 0.164 0.000 1.070 451 S CB 1.449 64.754 63.200 0.175 0.000 0.998 451 S HN 1.024 nan 8.310 nan 0.000 0.474 452 S N 3.630 119.429 115.700 0.164 0.000 2.417 452 S HA 0.369 4.828 4.470 -0.019 0.000 0.189 452 S C -2.642 172.059 174.600 0.168 0.000 1.005 452 S CA -0.937 57.378 58.200 0.192 0.000 1.116 452 S CB 0.614 63.928 63.200 0.190 0.000 1.343 452 S HN 0.279 nan 8.310 nan 0.000 0.406 453 P HA 0.048 nan 4.420 nan 0.000 0.225 453 P C 0.612 177.996 177.300 0.140 0.000 1.148 453 P CA 0.778 63.954 63.100 0.127 0.000 0.779 453 P CB 0.095 31.859 31.700 0.106 0.000 0.780 454 N N -1.852 116.967 118.700 0.199 0.000 2.235 454 N HA 0.231 4.960 4.740 -0.019 0.000 0.209 454 N C 0.698 176.334 175.510 0.210 0.000 1.122 454 N CA 0.184 53.375 53.050 0.235 0.000 0.845 454 N CB 0.424 39.058 38.487 0.244 0.000 1.004 454 N HN 0.073 nan 8.380 nan 0.000 0.499 455 A N 0.333 123.255 122.820 0.171 0.000 2.098 455 A HA 0.303 4.612 4.320 -0.019 0.000 0.179 455 A C 0.756 178.366 177.584 0.044 0.000 1.358 455 A CA -0.103 52.026 52.037 0.154 0.000 1.998 455 A CB 0.002 19.131 19.000 0.216 0.000 2.323 455 A HN -0.013 nan 8.150 nan 0.000 0.955 456 E N 0.896 121.137 120.200 0.069 0.000 2.204 456 E HA -0.047 4.292 4.350 -0.019 0.000 0.194 456 E C 1.082 177.738 176.600 0.093 0.000 0.989 456 E CA 1.745 58.190 56.400 0.076 0.000 0.824 456 E CB -0.182 29.615 29.700 0.163 0.000 0.756 456 E HN 0.648 nan 8.360 nan 0.000 0.477 457 T N -2.064 112.540 114.554 0.084 0.000 3.248 457 T HA 0.183 4.522 4.350 -0.019 0.000 0.271 457 T C 0.162 174.901 174.700 0.064 0.000 1.005 457 T CA -0.536 61.605 62.100 0.069 0.000 0.902 457 T CB -0.061 68.842 68.868 0.059 0.000 1.102 457 T HN -0.016 nan 8.240 nan 0.000 0.548 458 E N 1.583 121.818 120.200 0.057 0.000 2.376 458 E HA 0.386 4.725 4.350 -0.019 0.000 0.266 458 E C 0.650 177.277 176.600 0.044 0.000 1.009 458 E CA 0.315 56.748 56.400 0.056 0.000 0.902 458 E CB 0.118 29.860 29.700 0.070 0.000 0.972 458 E HN 0.584 nan 8.360 nan 0.000 0.439 459 A N 5.014 127.858 122.820 0.039 0.000 2.739 459 A HA -0.177 4.132 4.320 -0.019 0.000 0.296 459 A C 0.225 177.852 177.584 0.073 0.000 1.488 459 A CA 0.639 52.700 52.037 0.040 0.000 0.746 459 A CB -1.454 17.567 19.000 0.034 0.000 1.047 459 A HN 0.560 nan 8.150 nan 0.000 0.477 460 M N -0.015 119.633 119.600 0.081 0.000 2.250 460 M HA 0.036 4.505 4.480 -0.019 0.000 0.337 460 M C 1.861 178.204 176.300 0.071 0.000 1.161 460 M CA 0.839 56.216 55.300 0.129 0.000 1.088 460 M CB -0.035 32.612 32.600 0.077 0.000 1.639 460 M HN 0.691 nan 8.290 nan 0.000 0.447 461 R N 1.591 122.115 120.500 0.040 0.000 2.193 461 R HA -0.141 4.188 4.340 -0.019 0.000 0.229 461 R C 0.460 176.694 176.300 -0.111 0.000 1.110 461 R CA 1.770 57.806 56.100 -0.106 0.000 0.988 461 R CB -0.372 29.706 30.300 -0.370 0.000 0.871 461 R HN 0.667 nan 8.270 nan 0.000 0.458 462 D N -0.800 119.541 120.400 -0.098 0.000 2.369 462 D HA 0.117 4.746 4.640 -0.019 0.000 0.211 462 D C 1.032 177.318 176.300 -0.023 0.000 1.077 462 D CA 0.387 54.347 54.000 -0.066 0.000 0.842 462 D CB 0.466 41.227 40.800 -0.066 0.000 0.947 462 D HN 0.390 nan 8.370 nan 0.000 0.509 463 G N 0.729 109.524 108.800 -0.009 0.000 2.141 463 G HA2 -0.321 3.628 3.960 -0.019 0.000 0.242 463 G HA3 -0.321 3.628 3.960 -0.019 0.000 0.242 463 G C 0.837 175.749 174.900 0.020 0.000 0.982 463 G CA 0.560 45.662 45.100 0.003 0.000 0.662 463 G HN 0.698 nan 8.290 nan 0.000 0.527 464 S N -0.011 115.710 115.700 0.034 0.000 2.710 464 S HA 0.241 4.699 4.470 -0.019 0.000 0.224 464 S C 1.432 176.079 174.600 0.078 0.000 0.948 464 S CA 0.819 59.060 58.200 0.069 0.000 0.949 464 S CB 0.192 63.457 63.200 0.107 0.000 0.778 464 S HN 0.255 nan 8.310 nan 0.000 0.498 465 D N 3.439 123.872 120.400 0.055 0.000 2.157 465 D HA -0.149 4.480 4.640 -0.019 0.000 0.191 465 D C 1.845 178.195 176.300 0.082 0.000 1.004 465 D CA 1.924 55.961 54.000 0.061 0.000 0.854 465 D CB -0.539 40.288 40.800 0.046 0.000 0.936 465 D HN 0.674 nan 8.370 nan 0.000 0.446 466 A N 0.199 123.061 122.820 0.071 0.000 2.251 466 A HA 0.169 4.478 4.320 -0.019 0.000 0.209 466 A C 0.737 178.370 177.584 0.081 0.000 1.187 466 A CA -0.152 51.927 52.037 0.070 0.000 0.823 466 A CB 0.155 19.178 19.000 0.038 0.000 0.846 466 A HN 0.062 nan 8.150 nan 0.000 0.486 467 V N 2.183 122.167 119.914 0.115 0.000 2.446 467 V HA 0.098 4.207 4.120 -0.019 0.000 0.276 467 V C 1.213 177.402 176.094 0.159 0.000 1.030 467 V CA 0.965 63.335 62.300 0.118 0.000 1.033 467 V CB 0.746 32.679 31.823 0.183 0.000 0.993 467 V HN 0.592 nan 8.190 nan 0.000 0.477 468 S N 1.069 116.805 115.700 0.060 0.000 2.593 468 S HA 0.082 4.541 4.470 -0.019 0.000 0.236 468 S C 0.904 175.496 174.600 -0.013 0.000 0.991 468 S CA -0.445 57.800 58.200 0.075 0.000 0.963 468 S CB 0.050 63.288 63.200 0.063 0.000 0.865 468 S HN 0.705 nan 8.310 nan 0.000 0.488 469 D N 2.151 122.453 120.400 -0.164 0.000 2.158 469 D HA -0.137 4.492 4.640 -0.019 0.000 0.197 469 D C 1.037 177.199 176.300 -0.229 0.000 0.995 469 D CA 1.266 55.090 54.000 -0.294 0.000 0.846 469 D CB -0.268 40.197 40.800 -0.558 0.000 0.941 469 D HN 0.625 nan 8.370 nan 0.000 0.456 470 W N 1.464 122.749 121.300 -0.024 0.000 2.354 470 W HA -0.097 4.552 4.660 -0.019 0.000 0.315 470 W C -0.316 176.184 176.519 -0.032 0.000 1.206 470 W CA 0.654 57.980 57.345 -0.031 0.000 1.290 470 W CB -1.794 27.642 29.460 -0.041 0.000 1.152 470 W HN 0.144 nan 8.180 nan 0.000 0.489 471 P HA -0.151 nan 4.420 nan 0.000 0.218 471 P C 1.495 178.816 177.300 0.036 0.000 1.149 471 P CA 1.588 64.745 63.100 0.095 0.000 0.817 471 P CB -0.258 31.501 31.700 0.099 0.000 0.785 472 L N -1.131 120.102 121.223 0.017 0.000 2.056 472 L HA -0.109 4.219 4.340 -0.019 0.000 0.207 472 L C 2.816 179.674 176.870 -0.020 0.000 1.078 472 L CA 1.126 55.956 54.840 -0.017 0.000 0.749 472 L CB -0.997 41.039 42.059 -0.039 0.000 0.901 472 L HN -0.102 nan 8.230 nan 0.000 0.433 473 L N -0.074 121.137 121.223 -0.020 0.000 2.083 473 L HA -0.232 4.097 4.340 -0.019 0.000 0.209 473 L C 2.568 179.447 176.870 0.015 0.000 1.083 473 L CA 1.167 56.001 54.840 -0.011 0.000 0.752 473 L CB -0.731 41.320 42.059 -0.014 0.000 0.899 473 L HN 0.441 nan 8.230 nan 0.000 0.433 474 N N 0.709 119.431 118.700 0.036 0.000 2.069 474 N HA -0.219 4.510 4.740 -0.019 0.000 0.191 474 N C 1.818 177.317 175.510 -0.018 0.000 1.031 474 N CA 1.787 54.846 53.050 0.014 0.000 0.852 474 N CB 0.121 38.614 38.487 0.010 0.000 1.018 474 N HN 0.330 nan 8.380 nan 0.000 0.423 475 A N 1.503 124.306 122.820 -0.029 0.000 1.898 475 A HA -0.015 4.294 4.320 -0.019 0.000 0.216 475 A C 2.558 180.129 177.584 -0.023 0.000 1.181 475 A CA 0.743 52.756 52.037 -0.041 0.000 0.620 475 A CB -0.690 18.283 19.000 -0.045 0.000 0.819 475 A HN 0.336 nan 8.150 nan 0.000 0.442 476 L N -1.093 120.119 121.223 -0.017 0.000 2.042 476 L HA -0.193 4.136 4.340 -0.019 0.000 0.210 476 L C 2.555 179.422 176.870 -0.004 0.000 1.076 476 L CA 1.284 56.117 54.840 -0.012 0.000 0.749 476 L CB -0.526 41.523 42.059 -0.017 0.000 0.893 476 L HN 0.453 nan 8.230 nan 0.000 0.432 477 L N -0.202 121.019 121.223 -0.003 0.000 2.093 477 L HA -0.132 4.196 4.340 -0.019 0.000 0.208 477 L C 2.231 179.101 176.870 0.000 0.000 1.085 477 L CA 1.638 56.479 54.840 0.003 0.000 0.755 477 L CB -0.791 41.273 42.059 0.008 0.000 0.904 477 L HN 0.227 nan 8.230 nan 0.000 0.435 478 N N -1.027 117.667 118.700 -0.011 0.000 2.223 478 N HA -0.147 4.582 4.740 -0.019 0.000 0.185 478 N C 1.575 177.083 175.510 -0.002 0.000 1.016 478 N CA 1.782 54.823 53.050 -0.016 0.000 0.863 478 N CB -0.094 38.370 38.487 -0.039 0.000 0.983 478 N HN 0.428 nan 8.380 nan 0.000 0.429 479 T N 0.983 115.539 114.554 0.002 0.000 2.737 479 T HA -0.015 4.324 4.350 -0.019 0.000 0.265 479 T C 2.013 176.730 174.700 0.028 0.000 1.038 479 T CA 1.193 63.301 62.100 0.014 0.000 1.144 479 T CB -0.246 68.629 68.868 0.011 0.000 0.866 479 T HN 0.298 nan 8.240 nan 0.000 0.434 480 A N 1.181 124.019 122.820 0.030 0.000 1.978 480 A HA 0.097 4.406 4.320 -0.019 0.000 0.220 480 A C 2.492 180.108 177.584 0.053 0.000 1.170 480 A CA 1.809 53.874 52.037 0.047 0.000 0.636 480 A CB -1.074 17.944 19.000 0.030 0.000 0.810 480 A HN 0.527 nan 8.150 nan 0.000 0.448 481 G N -2.155 106.665 108.800 0.034 0.000 2.603 481 G HA2 0.371 4.320 3.960 -0.019 0.000 0.214 481 G HA3 0.371 4.320 3.960 -0.019 0.000 0.214 481 G C 1.015 175.939 174.900 0.040 0.000 1.140 481 G CA 0.574 45.693 45.100 0.032 0.000 0.800 481 G HN 1.700 nan 8.290 nan 0.000 0.533 482 G N -0.811 108.012 108.800 0.037 0.000 2.226 482 G HA2 0.261 4.210 3.960 -0.019 0.000 0.176 482 G HA3 0.261 4.210 3.960 -0.019 0.000 0.176 482 G C 0.342 175.259 174.900 0.028 0.000 1.042 482 G CA 0.033 45.156 45.100 0.038 0.000 0.732 482 G HN 1.167 nan 8.290 nan 0.000 0.494 483 A N -0.399 122.428 122.820 0.011 0.000 2.492 483 A HA 0.642 4.951 4.320 -0.019 0.000 0.236 483 A C 1.670 179.277 177.584 0.037 0.000 1.078 483 A CA 1.455 53.487 52.037 -0.007 0.000 0.773 483 A CB 0.257 19.229 19.000 -0.047 0.000 1.023 483 A HN 0.857 nan 8.150 nan 0.000 0.504 484 T N 0.184 114.768 114.554 0.049 0.000 2.896 484 T HA 0.078 4.417 4.350 -0.019 0.000 0.263 484 T C 0.131 175.071 174.700 0.400 0.000 1.050 484 T CA 1.782 64.011 62.100 0.215 0.000 1.140 484 T CB -0.299 68.748 68.868 0.299 0.000 0.877 484 T HN 0.835 nan 8.240 nan 0.000 0.457 485 W N -0.310 121.029 121.300 0.065 0.000 3.138 485 W HA 0.728 5.376 4.660 -0.020 0.000 0.331 485 W C -2.048 174.475 176.519 0.007 0.000 1.166 485 W CA -1.273 56.100 57.345 0.046 0.000 1.212 485 W CB 1.100 30.606 29.460 0.077 0.000 1.399 485 W HN -0.343 nan 8.180 nan 0.000 0.514 486 V N 3.128 123.149 119.914 0.179 0.000 2.789 486 V HA 0.774 4.882 4.120 -0.019 0.000 0.311 486 V C -0.336 175.785 176.094 0.046 0.000 1.073 486 V CA -0.758 61.565 62.300 0.038 0.000 0.921 486 V CB 1.801 33.630 31.823 0.011 0.000 1.009 486 V HN 0.749 nan 8.190 nan 0.000 0.426 487 S N 4.162 119.843 115.700 -0.032 0.000 2.569 487 S HA 0.860 5.319 4.470 -0.019 0.000 0.280 487 S C -1.306 173.260 174.600 -0.056 0.000 1.111 487 S CA -0.808 57.389 58.200 -0.004 0.000 0.887 487 S CB 1.915 65.099 63.200 -0.028 0.000 1.095 487 S HN 0.527 nan 8.310 nan 0.000 0.476 488 L N 2.706 123.972 121.223 0.071 0.000 2.372 488 L HA 0.557 4.886 4.340 -0.019 0.000 0.274 488 L C -0.521 176.487 176.870 0.229 0.000 0.988 488 L CA -0.423 54.454 54.840 0.060 0.000 0.833 488 L CB 1.476 43.551 42.059 0.027 0.000 1.236 488 L HN 0.821 nan 8.230 nan 0.000 0.410 489 H N 1.456 120.469 119.070 -0.095 0.000 2.771 489 H HA 0.449 4.994 4.556 -0.019 0.000 0.367 489 H C -1.263 173.860 175.328 -0.341 0.000 1.172 489 H CA -0.892 55.064 56.048 -0.152 0.000 1.186 489 H CB 2.996 32.731 29.762 -0.045 0.000 1.790 489 H HN 0.540 nan 8.280 nan 0.000 0.556 490 H N -0.237 118.786 119.070 -0.078 0.000 2.538 490 H HA 0.300 4.846 4.556 -0.018 0.000 0.353 490 H C 0.478 175.912 175.328 0.178 0.000 1.109 490 H CA 0.190 56.223 56.048 -0.026 0.000 1.192 490 H CB 1.529 31.297 29.762 0.011 0.000 1.555 490 H HN 1.028 nan 8.280 nan 0.000 0.518 491 G N 3.096 111.851 108.800 -0.076 0.000 2.159 491 G HA2 -0.248 3.700 3.960 -0.019 0.000 0.256 491 G HA3 -0.248 3.700 3.960 -0.019 0.000 0.256 491 G C 0.605 175.727 174.900 0.370 0.000 0.977 491 G CA 0.135 45.180 45.100 -0.091 0.000 0.652 491 G HN 0.978 nan 8.290 nan 0.000 0.531 492 G N -1.190 107.966 108.800 0.593 0.000 2.491 492 G HA2 0.524 4.472 3.960 -0.019 0.000 0.238 492 G HA3 0.524 4.472 3.960 -0.019 0.000 0.238 492 G C 1.541 176.485 174.900 0.074 0.000 1.277 492 G CA 1.595 46.814 45.100 0.199 0.000 0.851 492 G HN 1.840 nan 8.290 nan 0.000 0.573 493 G N 0.059 108.860 108.800 0.002 0.000 4.655 493 G HA2 -0.296 3.653 3.960 -0.019 0.000 0.220 493 G HA3 -0.296 3.653 3.960 -0.019 0.000 0.220 493 G C 1.409 176.329 174.900 0.034 0.000 1.403 493 G CA 1.444 46.540 45.100 -0.007 0.000 0.931 493 G HN 1.977 nan 8.290 nan 0.000 0.654 494 V N -0.461 119.546 119.914 0.155 0.000 3.660 494 V HA 0.627 4.735 4.120 -0.019 0.000 0.276 494 V C 1.495 177.780 176.094 0.319 0.000 1.317 494 V CA 0.851 63.275 62.300 0.207 0.000 1.097 494 V CB -0.439 31.503 31.823 0.198 0.000 0.863 494 V HN 2.595 nan 8.190 nan 0.000 0.438 495 G N 0.440 109.463 108.800 0.371 0.000 2.712 495 G HA2 -0.111 3.837 3.960 -0.019 0.000 0.683 495 G HA3 -0.111 3.837 3.960 -0.019 0.000 0.683 495 G C -0.545 174.327 174.900 -0.045 0.000 1.320 495 G CA -0.469 44.850 45.100 0.365 0.000 0.847 495 G HN 0.234 nan 8.290 nan 0.000 0.553 496 M N 1.207 120.352 119.600 -0.759 0.000 2.261 496 M HA 0.311 4.780 4.480 -0.019 0.000 0.350 496 M C 1.805 177.978 176.300 -0.212 0.000 1.343 496 M CA 2.069 56.882 55.300 -0.813 0.000 1.003 496 M CB -0.568 31.335 32.600 -1.162 0.000 1.848 496 M HN 2.531 nan 8.290 nan 0.000 0.456 497 G N 2.938 111.745 108.800 0.012 0.000 2.254 497 G HA2 -0.271 3.678 3.960 -0.019 0.000 0.225 497 G HA3 -0.271 3.678 3.960 -0.019 0.000 0.225 497 G C 0.397 175.064 174.900 -0.388 0.000 1.003 497 G CA -0.119 44.863 45.100 -0.198 0.000 0.622 497 G HN 0.597 nan 8.290 nan 0.000 0.507 498 F N 2.095 122.107 119.950 0.102 0.000 2.706 498 F HA 0.508 5.024 4.527 -0.018 0.000 0.313 498 F C 1.180 177.073 175.800 0.155 0.000 1.096 498 F CA 0.600 58.670 58.000 0.117 0.000 1.219 498 F CB 1.173 40.239 39.000 0.111 0.000 1.051 498 F HN 0.471 nan 8.300 nan 0.000 0.568 499 S N -0.710 115.178 115.700 0.313 0.000 2.570 499 S HA 0.695 5.154 4.470 -0.019 0.000 0.270 499 S C -1.188 173.638 174.600 0.376 0.000 1.149 499 S CA -0.825 57.582 58.200 0.345 0.000 0.837 499 S CB 2.540 65.973 63.200 0.388 0.000 1.124 499 S HN 0.084 nan 8.310 nan 0.000 0.465 500 Q N 0.486 120.485 119.800 0.333 0.000 2.359 500 Q HA 0.677 5.006 4.340 -0.019 0.000 0.274 500 Q C -1.546 174.584 176.000 0.218 0.000 1.074 500 Q CA -0.697 55.216 55.803 0.183 0.000 0.810 500 Q CB 2.291 31.098 28.738 0.115 0.000 1.342 500 Q HN 0.999 nan 8.270 nan 0.000 0.427 501 H N -1.936 117.236 119.070 0.170 0.000 3.003 501 H HA 0.670 5.215 4.556 -0.018 0.000 0.327 501 H C -1.359 173.979 175.328 0.017 0.000 1.353 501 H CA -1.054 55.065 56.048 0.118 0.000 1.142 501 H CB 1.027 30.904 29.762 0.191 0.000 1.864 501 H HN 0.544 nan 8.280 nan 0.000 0.529 502 S N 0.579 116.233 115.700 -0.076 0.000 2.600 502 S HA 0.899 5.358 4.470 -0.019 0.000 0.300 502 S C -0.127 173.955 174.600 -0.863 0.000 1.087 502 S CA -0.364 57.628 58.200 -0.348 0.000 0.965 502 S CB 2.008 65.105 63.200 -0.172 0.000 1.089 502 S HN 1.250 nan 8.310 nan 0.000 0.496 503 G N 0.369 108.646 108.800 -0.871 0.000 2.533 503 G HA2 0.732 4.680 3.960 -0.019 0.000 0.304 503 G HA3 0.732 4.680 3.960 -0.019 0.000 0.304 503 G C -1.026 173.694 174.900 -0.299 0.000 1.263 503 G CA -1.082 43.587 45.100 -0.718 0.000 0.964 503 G HN 1.152 nan 8.290 nan 0.000 0.479 504 M N -0.332 119.130 119.600 -0.229 0.000 2.465 504 M HA 0.793 5.262 4.480 -0.019 0.000 0.284 504 M C -1.645 174.447 176.300 -0.345 0.000 1.212 504 M CA -0.956 54.203 55.300 -0.235 0.000 0.910 504 M CB 1.930 34.436 32.600 -0.158 0.000 1.725 504 M HN 0.423 nan 8.290 nan 0.000 0.477 505 V N 2.906 122.475 119.914 -0.576 0.000 2.841 505 V HA 0.745 4.854 4.120 -0.019 0.000 0.310 505 V C -1.223 174.557 176.094 -0.522 0.000 1.090 505 V CA -0.610 61.247 62.300 -0.740 0.000 0.930 505 V CB 2.118 32.984 31.823 -1.595 0.000 1.014 505 V HN 1.012 nan 8.190 nan 0.000 0.425 506 I N 3.196 123.591 120.570 -0.291 0.000 2.582 506 I HA 0.634 4.793 4.170 -0.019 0.000 0.292 506 I C -0.967 175.122 176.117 -0.046 0.000 1.066 506 I CA -0.696 60.532 61.300 -0.120 0.000 1.053 506 I CB 2.107 40.077 38.000 -0.049 0.000 1.241 506 I HN 0.418 nan 8.210 nan 0.000 0.421 507 V N 6.446 126.386 119.914 0.042 0.000 2.465 507 V HA 0.203 4.311 4.120 -0.019 0.000 0.279 507 V C -0.300 175.828 176.094 0.056 0.000 1.045 507 V CA -0.455 61.898 62.300 0.089 0.000 0.938 507 V CB 1.099 33.039 31.823 0.195 0.000 0.986 507 V HN 0.782 nan 8.190 nan 0.000 0.467 508 C N 4.517 123.833 119.300 0.026 0.000 2.135 508 C HA 0.305 4.754 4.460 -0.019 0.000 0.345 508 C C 1.079 176.038 174.990 -0.052 0.000 1.067 508 C CA -0.784 58.236 59.018 0.003 0.000 1.517 508 C CB -1.050 26.701 27.740 0.018 0.000 1.923 508 C HN 0.975 nan 8.230 nan 0.000 0.466 509 D N 0.432 120.814 120.400 -0.029 0.000 2.368 509 D HA 0.207 4.836 4.640 -0.019 0.000 0.218 509 D C 1.463 177.724 176.300 -0.065 0.000 1.112 509 D CA 0.492 54.440 54.000 -0.087 0.000 0.834 509 D CB -0.056 40.761 40.800 0.028 0.000 0.953 509 D HN 0.749 nan 8.370 nan 0.000 0.505 510 G N 0.358 109.134 108.800 -0.039 0.000 2.199 510 G HA2 -0.288 3.661 3.960 -0.019 0.000 0.254 510 G HA3 -0.288 3.661 3.960 -0.019 0.000 0.254 510 G C 0.558 175.460 174.900 0.005 0.000 0.982 510 G CA 0.583 45.669 45.100 -0.023 0.000 0.632 510 G HN 0.801 nan 8.290 nan 0.000 0.529 511 T N -1.792 112.774 114.554 0.021 0.000 2.874 511 T HA 0.565 4.903 4.350 -0.019 0.000 0.281 511 T C 0.932 175.648 174.700 0.027 0.000 0.994 511 T CA 0.368 62.487 62.100 0.032 0.000 1.015 511 T CB 1.542 70.441 68.868 0.052 0.000 1.028 511 T HN -0.102 nan 8.240 nan 0.000 0.523 512 D N 0.682 121.099 120.400 0.027 0.000 2.144 512 D HA -0.040 4.589 4.640 -0.019 0.000 0.199 512 D C 1.935 178.252 176.300 0.028 0.000 0.984 512 D CA 1.165 55.179 54.000 0.023 0.000 0.834 512 D CB -0.132 40.681 40.800 0.022 0.000 0.955 512 D HN 0.730 nan 8.370 nan 0.000 0.465 513 E N 0.753 120.976 120.200 0.038 0.000 2.077 513 E HA -0.057 4.282 4.350 -0.019 0.000 0.193 513 E C 2.050 178.676 176.600 0.045 0.000 0.989 513 E CA 1.150 57.576 56.400 0.045 0.000 0.800 513 E CB -0.311 29.423 29.700 0.056 0.000 0.746 513 E HN 0.233 nan 8.360 nan 0.000 0.452 514 A N 1.099 123.945 122.820 0.045 0.000 1.902 514 A HA -0.093 4.216 4.320 -0.019 0.000 0.217 514 A C 2.382 179.982 177.584 0.026 0.000 1.181 514 A CA 1.787 53.849 52.037 0.041 0.000 0.623 514 A CB -0.882 18.143 19.000 0.042 0.000 0.818 514 A HN 0.287 nan 8.150 nan 0.000 0.443 515 A N -0.283 122.548 122.820 0.019 0.000 1.908 515 A HA -0.197 4.111 4.320 -0.019 0.000 0.218 515 A C 1.989 179.577 177.584 0.007 0.000 1.181 515 A CA 2.260 54.301 52.037 0.007 0.000 0.627 515 A CB -0.480 18.522 19.000 0.003 0.000 0.818 515 A HN 0.508 nan 8.150 nan 0.000 0.445 516 E N 0.225 120.434 120.200 0.015 0.000 2.077 516 E HA -0.149 4.190 4.350 -0.019 0.000 0.193 516 E C 2.167 178.778 176.600 0.018 0.000 0.989 516 E CA 1.470 57.879 56.400 0.015 0.000 0.800 516 E CB -0.284 29.430 29.700 0.022 0.000 0.746 516 E HN 0.621 nan 8.360 nan 0.000 0.452 517 R N -0.166 120.349 120.500 0.026 0.000 2.073 517 R HA -0.048 4.280 4.340 -0.019 0.000 0.234 517 R C 2.618 178.927 176.300 0.015 0.000 1.134 517 R CA 1.591 57.708 56.100 0.028 0.000 0.952 517 R CB -0.506 29.817 30.300 0.039 0.000 0.850 517 R HN 0.264 nan 8.270 nan 0.000 0.433 518 I N 0.766 121.343 120.570 0.011 0.000 2.208 518 I HA -0.290 3.868 4.170 -0.019 0.000 0.245 518 I C 2.622 178.733 176.117 -0.010 0.000 1.097 518 I CA 1.376 62.677 61.300 0.002 0.000 1.363 518 I CB -0.398 37.600 38.000 -0.004 0.000 1.051 518 I HN 0.214 nan 8.210 nan 0.000 0.413 519 A N 1.497 124.309 122.820 -0.013 0.000 1.933 519 A HA -0.210 4.099 4.320 -0.019 0.000 0.218 519 A C 2.397 179.970 177.584 -0.019 0.000 1.175 519 A CA 1.873 53.896 52.037 -0.023 0.000 0.628 519 A CB -0.565 18.424 19.000 -0.019 0.000 0.814 519 A HN 0.542 nan 8.150 nan 0.000 0.444 520 R N -1.211 119.284 120.500 -0.008 0.000 2.112 520 R HA 0.113 4.442 4.340 -0.019 0.000 0.216 520 R C 1.629 177.924 176.300 -0.009 0.000 1.080 520 R CA 1.193 57.289 56.100 -0.007 0.000 0.996 520 R CB -0.728 29.573 30.300 0.002 0.000 0.902 520 R HN 0.183 nan 8.270 nan 0.000 0.449 521 V N 2.160 122.071 119.914 -0.004 0.000 2.427 521 V HA -0.123 3.986 4.120 -0.019 0.000 0.248 521 V C 2.264 178.351 176.094 -0.012 0.000 1.051 521 V CA 1.408 63.704 62.300 -0.006 0.000 1.048 521 V CB -0.294 31.528 31.823 -0.002 0.000 0.666 521 V HN 0.278 nan 8.190 nan 0.000 0.456 522 L N -0.539 120.677 121.223 -0.012 0.000 2.554 522 L HA -0.037 4.291 4.340 -0.019 0.000 0.226 522 L C 2.271 179.104 176.870 -0.062 0.000 1.137 522 L CA 0.788 55.614 54.840 -0.022 0.000 0.863 522 L CB -0.613 41.443 42.059 -0.006 0.000 0.985 522 L HN 0.364 nan 8.230 nan 0.000 0.451 523 T N -0.886 113.639 114.554 -0.049 0.000 2.852 523 T HA -0.029 4.309 4.350 -0.019 0.000 0.256 523 T C 1.679 176.353 174.700 -0.043 0.000 1.038 523 T CA 0.846 62.915 62.100 -0.053 0.000 1.141 523 T CB -0.017 68.827 68.868 -0.039 0.000 0.869 523 T HN 0.249 nan 8.240 nan 0.000 0.439 524 N N 1.347 120.029 118.700 -0.029 0.000 2.216 524 N HA -0.059 4.670 4.740 -0.019 0.000 0.183 524 N C 1.618 177.114 175.510 -0.025 0.000 1.017 524 N CA 0.978 54.016 53.050 -0.019 0.000 0.861 524 N CB -0.455 38.027 38.487 -0.009 0.000 0.986 524 N HN 0.385 nan 8.380 nan 0.000 0.428 525 D N 0.734 121.113 120.400 -0.034 0.000 2.084 525 D HA -0.051 4.578 4.640 -0.019 0.000 0.196 525 D C -0.926 175.337 176.300 -0.062 0.000 0.985 525 D CA 1.003 54.977 54.000 -0.043 0.000 0.826 525 D CB -0.695 40.082 40.800 -0.039 0.000 0.978 525 D HN 0.188 nan 8.370 nan 0.000 0.456 526 P HA -0.008 nan 4.420 nan 0.000 0.221 526 P C 1.630 178.884 177.300 -0.077 0.000 1.150 526 P CA 1.430 64.468 63.100 -0.103 0.000 0.800 526 P CB -0.269 31.352 31.700 -0.132 0.000 0.787 527 G N 0.868 109.635 108.800 -0.055 0.000 2.442 527 G HA2 -0.278 3.670 3.960 -0.019 0.000 0.219 527 G HA3 -0.278 3.670 3.960 -0.019 0.000 0.219 527 G C 1.647 176.537 174.900 -0.015 0.000 1.141 527 G CA 1.927 47.007 45.100 -0.033 0.000 0.763 527 G HN 0.402 nan 8.290 nan 0.000 0.554 528 T N -1.402 113.147 114.554 -0.008 0.000 2.915 528 T HA 0.091 4.430 4.350 -0.019 0.000 0.269 528 T C 2.389 177.078 174.700 -0.019 0.000 1.071 528 T CA 1.549 63.662 62.100 0.022 0.000 1.132 528 T CB -0.368 68.530 68.868 0.050 0.000 0.878 528 T HN 0.225 nan 8.240 nan 0.000 0.479 529 G N 0.940 109.710 108.800 -0.049 0.000 2.403 529 G HA2 -0.041 3.908 3.960 -0.019 0.000 0.216 529 G HA3 -0.041 3.908 3.960 -0.019 0.000 0.216 529 G C 1.611 176.532 174.900 0.035 0.000 1.154 529 G CA 0.684 45.760 45.100 -0.040 0.000 0.784 529 G HN 0.468 nan 8.290 nan 0.000 0.538 530 V N 1.280 121.182 119.914 -0.020 0.000 2.343 530 V HA -0.223 3.886 4.120 -0.019 0.000 0.247 530 V C 2.693 178.785 176.094 -0.002 0.000 1.051 530 V CA 2.156 64.452 62.300 -0.006 0.000 1.036 530 V CB -0.440 31.367 31.823 -0.026 0.000 0.654 530 V HN 0.506 nan 8.190 nan 0.000 0.451 531 M N -0.177 119.408 119.600 -0.024 0.000 2.080 531 M HA -0.227 4.242 4.480 -0.019 0.000 0.260 531 M C 2.444 178.626 176.300 -0.197 0.000 1.068 531 M CA 1.995 57.274 55.300 -0.034 0.000 1.109 531 M CB -0.381 32.243 32.600 0.041 0.000 1.342 531 M HN 0.155 nan 8.290 nan 0.000 0.405 532 R N -0.583 119.677 120.500 -0.400 0.000 2.081 532 R HA -0.186 4.143 4.340 -0.019 0.000 0.235 532 R C 1.645 177.528 176.300 -0.695 0.000 1.131 532 R CA 2.240 57.714 56.100 -1.044 0.000 0.960 532 R CB -0.741 28.892 30.300 -1.112 0.000 0.856 532 R HN 0.583 nan 8.270 nan 0.000 0.436 533 H N -0.439 118.464 119.070 -0.279 0.000 2.436 533 H HA 0.119 4.664 4.556 -0.019 0.000 0.294 533 H C 1.869 177.232 175.328 0.058 0.000 1.048 533 H CA 1.367 57.386 56.048 -0.049 0.000 1.353 533 H CB 0.008 29.725 29.762 -0.076 0.000 1.414 533 H HN 0.363 nan 8.280 nan 0.000 0.536 534 A N 0.519 123.378 122.820 0.066 0.000 1.902 534 A HA -0.218 4.091 4.320 -0.019 0.000 0.217 534 A C 2.154 179.740 177.584 0.003 0.000 1.181 534 A CA 1.784 53.849 52.037 0.047 0.000 0.623 534 A CB -0.443 18.574 19.000 0.028 0.000 0.818 534 A HN 0.530 nan 8.150 nan 0.000 0.443 535 D N 0.147 120.516 120.400 -0.052 0.000 2.144 535 D HA -0.100 4.529 4.640 -0.019 0.000 0.199 535 D C 1.933 178.219 176.300 -0.024 0.000 0.984 535 D CA 1.303 55.299 54.000 -0.006 0.000 0.834 535 D CB -0.038 40.782 40.800 0.034 0.000 0.955 535 D HN 0.357 nan 8.370 nan 0.000 0.465 536 A N -0.196 122.577 122.820 -0.079 0.000 2.168 536 A HA 0.239 4.547 4.320 -0.019 0.000 0.215 536 A C 1.767 179.233 177.584 -0.198 0.000 1.152 536 A CA 1.525 53.501 52.037 -0.101 0.000 0.716 536 A CB -0.235 18.733 19.000 -0.054 0.000 0.794 536 A HN 0.463 nan 8.150 nan 0.000 0.465 537 G N -2.748 105.972 108.800 -0.133 0.000 2.134 537 G HA2 -0.227 3.722 3.960 -0.019 0.000 0.209 537 G HA3 -0.227 3.722 3.960 -0.019 0.000 0.209 537 G C -0.181 174.601 174.900 -0.197 0.000 0.993 537 G CA -0.074 44.934 45.100 -0.154 0.000 0.669 537 G HN 0.365 nan 8.290 nan 0.000 0.519 538 Y N 1.800 122.099 120.300 -0.002 0.000 2.587 538 Y HA 0.257 4.797 4.550 -0.018 0.000 0.344 538 Y C 1.613 177.514 175.900 0.001 0.000 1.061 538 Y CA -0.002 58.103 58.100 0.008 0.000 1.370 538 Y CB 0.619 39.101 38.460 0.037 0.000 1.163 538 Y HN 0.087 nan 8.280 nan 0.000 0.527 539 D N 2.625 123.092 120.400 0.112 0.000 2.182 539 D HA -0.204 4.425 4.640 -0.019 0.000 0.201 539 D C 2.046 178.388 176.300 0.069 0.000 0.986 539 D CA 1.475 55.514 54.000 0.064 0.000 0.847 539 D CB 0.115 40.936 40.800 0.035 0.000 0.942 539 D HN 0.646 nan 8.370 nan 0.000 0.467 540 I N 0.981 121.602 120.570 0.086 0.000 2.286 540 I HA -0.258 3.900 4.170 -0.019 0.000 0.248 540 I C 2.431 178.567 176.117 0.033 0.000 1.115 540 I CA 0.968 62.292 61.300 0.041 0.000 1.392 540 I CB -0.113 37.897 38.000 0.016 0.000 1.065 540 I HN -0.065 nan 8.210 nan 0.000 0.418 541 A N 0.859 123.722 122.820 0.071 0.000 1.929 541 A HA -0.109 4.200 4.320 -0.019 0.000 0.216 541 A C 2.269 179.879 177.584 0.043 0.000 1.176 541 A CA 1.160 53.230 52.037 0.056 0.000 0.628 541 A CB -0.662 18.410 19.000 0.121 0.000 0.816 541 A HN 0.352 nan 8.150 nan 0.000 0.444 542 I N 0.059 120.661 120.570 0.053 0.000 2.226 542 I HA -0.252 3.907 4.170 -0.019 0.000 0.245 542 I C 1.834 177.962 176.117 0.018 0.000 1.100 542 I CA 1.460 62.779 61.300 0.031 0.000 1.374 542 I CB -0.486 37.532 38.000 0.028 0.000 1.057 542 I HN 0.244 nan 8.210 nan 0.000 0.413 543 D N 0.255 120.666 120.400 0.018 0.000 2.097 543 D HA -0.214 4.414 4.640 -0.019 0.000 0.195 543 D C 2.212 178.514 176.300 0.002 0.000 0.989 543 D CA 1.274 55.279 54.000 0.008 0.000 0.827 543 D CB -0.650 40.154 40.800 0.007 0.000 0.966 543 D HN 0.396 nan 8.370 nan 0.000 0.456 544 C N 1.111 120.411 119.300 -0.000 0.000 2.413 544 C HA -0.055 4.393 4.460 -0.019 0.000 0.276 544 C C 2.898 177.882 174.990 -0.009 0.000 1.248 544 C CA 1.425 60.437 59.018 -0.010 0.000 1.742 544 C CB -1.091 26.638 27.740 -0.018 0.000 2.017 544 C HN 0.342 nan 8.230 nan 0.000 0.481 545 A N 0.186 123.005 122.820 -0.002 0.000 1.908 545 A HA -0.205 4.104 4.320 -0.019 0.000 0.218 545 A C 2.233 179.816 177.584 -0.002 0.000 1.181 545 A CA 1.989 54.025 52.037 -0.001 0.000 0.627 545 A CB -0.588 18.416 19.000 0.007 0.000 0.818 545 A HN 0.779 nan 8.150 nan 0.000 0.445 546 K N -0.512 119.888 120.400 0.000 0.000 2.057 546 K HA -0.125 4.183 4.320 -0.019 0.000 0.206 546 K C 1.971 178.568 176.600 -0.004 0.000 1.050 546 K CA 1.484 57.771 56.287 -0.001 0.000 0.935 546 K CB -0.184 32.317 32.500 0.001 0.000 0.715 546 K HN 0.615 nan 8.250 nan 0.000 0.439 547 E N 0.589 120.786 120.200 -0.006 0.000 2.085 547 E HA -0.188 4.150 4.350 -0.019 0.000 0.194 547 E C 1.857 178.449 176.600 -0.013 0.000 0.994 547 E CA 0.994 57.389 56.400 -0.009 0.000 0.801 547 E CB 0.136 29.829 29.700 -0.011 0.000 0.743 547 E HN 0.198 nan 8.360 nan 0.000 0.453 548 Q N -0.914 118.877 119.800 -0.015 0.000 2.360 548 Q HA 0.088 4.416 4.340 -0.019 0.000 0.202 548 Q C 0.868 176.859 176.000 -0.016 0.000 0.915 548 Q CA 0.689 56.480 55.803 -0.020 0.000 0.943 548 Q CB 1.330 30.052 28.738 -0.027 0.000 1.064 548 Q HN 0.401 nan 8.270 nan 0.000 0.511 549 G N 1.454 110.248 108.800 -0.010 0.000 2.198 549 G HA2 -0.262 3.687 3.960 -0.019 0.000 0.257 549 G HA3 -0.262 3.687 3.960 -0.019 0.000 0.257 549 G C 0.057 174.954 174.900 -0.005 0.000 1.042 549 G CA 0.022 45.118 45.100 -0.007 0.000 0.791 549 G HN 0.270 nan 8.290 nan 0.000 0.502 550 L N -0.003 121.218 121.223 -0.004 0.000 2.467 550 L HA 0.332 4.660 4.340 -0.019 0.000 0.270 550 L C 0.461 177.335 176.870 0.006 0.000 1.205 550 L CA -0.309 54.532 54.840 0.001 0.000 0.828 550 L CB 0.615 42.676 42.059 0.003 0.000 1.101 550 L HN 0.159 nan 8.230 nan 0.000 0.479 551 D N 3.697 124.103 120.400 0.010 0.000 2.467 551 D HA 0.318 4.947 4.640 -0.019 0.000 0.220 551 D C -0.795 175.518 176.300 0.021 0.000 1.103 551 D CA -0.196 53.812 54.000 0.012 0.000 0.886 551 D CB 0.456 41.262 40.800 0.009 0.000 1.025 551 D HN 0.266 nan 8.370 nan 0.000 0.514 552 L N 5.865 127.102 121.223 0.024 0.000 2.356 552 L HA 0.311 4.640 4.340 -0.019 0.000 0.264 552 L C -1.582 175.307 176.870 0.031 0.000 1.029 552 L CA -1.839 53.022 54.840 0.035 0.000 0.897 552 L CB 1.820 43.901 42.059 0.038 0.000 1.256 552 L HN 0.112 nan 8.230 nan 0.000 0.444 553 P HA -0.161 nan 4.420 nan 0.000 0.216 553 P C 1.556 178.868 177.300 0.021 0.000 1.150 553 P CA 1.384 64.496 63.100 0.021 0.000 0.843 553 P CB 0.216 31.927 31.700 0.018 0.000 0.787 554 M N -2.516 117.102 119.600 0.029 0.000 2.556 554 M HA 0.105 4.574 4.480 -0.019 0.000 0.245 554 M C 1.642 177.956 176.300 0.023 0.000 1.128 554 M CA 0.877 56.192 55.300 0.026 0.000 1.069 554 M CB -0.472 32.149 32.600 0.035 0.000 1.469 554 M HN 0.061 nan 8.290 nan 0.000 0.494 555 I N -1.028 119.557 120.570 0.024 0.000 3.673 555 I HA -0.048 4.111 4.170 -0.019 0.000 0.281 555 I C 1.960 178.084 176.117 0.013 0.000 1.182 555 I CA 0.911 62.222 61.300 0.018 0.000 1.391 555 I CB 0.021 38.034 38.000 0.022 0.000 1.383 555 I HN 0.173 nan 8.210 nan 0.000 0.456 556 T N -1.312 113.251 114.554 0.014 0.000 3.060 556 T HA 0.524 4.863 4.350 -0.019 0.000 0.249 556 T C 0.851 175.556 174.700 0.008 0.000 1.079 556 T CA 0.290 62.396 62.100 0.010 0.000 1.013 556 T CB 0.412 69.286 68.868 0.010 0.000 0.975 556 T HN 0.539 nan 8.240 nan 0.000 0.518 557 G N 0.000 108.806 108.800 0.010 0.000 5.446 557 G HA2 0.000 3.949 3.960 -0.019 0.000 0.244 557 G HA3 0.000 3.949 3.960 -0.019 0.000 0.244 557 G CA 0.000 45.104 45.100 0.007 0.000 0.502 557 G HN 0.000 nan 8.290 nan 0.000 0.925