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 2v7g_1_D 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 LPIGWTWEQY RDRAQTIPAA VVKAAKASMA DATA SEQUENCE VHVQAMLDFQ KQGVPTFDYG NNIRQMAKEE GVANAFDFPG FVPAYIRPLF DATA SEQUENCE CRGVGPFRWA ALSGEAEDIY KTDAKVKELI PDDAHLHRWL DMARERISFQ DATA SEQUENCE GLPARICWVG LGLRAKLGLA FNEMVRSGEL SAPVVIGRDH LDSGSVSSPN DATA SEQUENCE RETEAMRDGS 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 0.000 175.728 175.510 0.363 0.000 1.280 5 N CA 0.000 53.194 53.050 0.239 0.000 0.885 5 N CB 0.000 38.626 38.487 0.231 0.000 1.341 6 K N 0.784 121.385 120.400 0.335 0.000 2.214 6 K HA 0.094 2.990 4.320 -2.373 0.000 0.201 6 K C -0.249 176.665 176.600 0.524 0.000 1.049 6 K CA 0.418 56.910 56.287 0.341 0.000 0.978 6 K CB 0.632 33.262 32.500 0.217 0.000 0.842 6 K HN 0.503 nan 8.250 nan 0.000 0.474 7 Y N 1.821 122.289 120.300 0.281 0.000 2.364 7 Y HA 0.397 3.523 4.550 -2.374 0.000 0.340 7 Y C -1.094 174.729 175.900 -0.128 0.000 0.975 7 Y CA -1.144 57.066 58.100 0.182 0.000 1.089 7 Y CB 1.527 40.036 38.460 0.081 0.000 1.192 7 Y HN -0.179 nan 8.280 nan 0.000 0.454 8 R N 4.710 124.622 120.500 -0.981 0.000 2.514 8 R HA 0.181 3.097 4.340 -2.373 0.000 0.296 8 R C -1.578 174.050 176.300 -1.121 0.000 1.012 8 R CA -0.703 54.659 56.100 -1.231 0.000 0.897 8 R CB 0.976 30.074 30.300 -2.003 0.000 1.184 8 R HN 0.784 nan 8.270 nan 0.000 0.440 9 D N 4.645 124.551 120.400 -0.823 0.000 2.545 9 D HA 0.130 3.346 4.640 -2.373 0.000 0.227 9 D C -0.580 175.522 176.300 -0.330 0.000 1.150 9 D CA 0.100 53.817 54.000 -0.472 0.000 1.046 9 D CB 0.114 40.828 40.800 -0.143 0.000 1.098 9 D HN 0.290 nan 8.370 nan 0.000 0.502 10 V N -0.504 119.201 119.914 -0.348 0.000 3.078 10 V HA 0.610 3.306 4.120 -2.373 0.000 0.311 10 V C -0.316 175.701 176.094 -0.130 0.000 1.138 10 V CA -1.119 61.041 62.300 -0.233 0.000 1.007 10 V CB 2.115 33.760 31.823 -0.297 0.000 1.045 10 V HN 0.104 nan 8.190 nan 0.000 0.432 11 E N 2.142 122.301 120.200 -0.069 0.000 2.151 11 E HA 0.672 3.598 4.350 -2.373 0.000 0.275 11 E C -1.274 175.326 176.600 -0.001 0.000 0.936 11 E CA -0.536 55.851 56.400 -0.021 0.000 0.777 11 E CB 2.434 32.131 29.700 -0.006 0.000 1.108 11 E HN 0.642 nan 8.360 nan 0.000 0.401 12 I N 3.202 123.785 120.570 0.022 0.000 2.433 12 I HA 0.433 3.179 4.170 -2.373 0.000 0.292 12 I C -0.201 175.944 176.117 0.047 0.000 1.001 12 I CA -0.571 60.755 61.300 0.043 0.000 1.119 12 I CB 1.411 39.440 38.000 0.049 0.000 1.289 12 I HN 0.294 nan 8.210 nan 0.000 0.438 13 R N 3.964 124.492 120.500 0.047 0.000 2.651 13 R HA 0.661 3.577 4.340 -2.373 0.000 0.278 13 R C -0.861 175.462 176.300 0.039 0.000 1.010 13 R CA -0.939 55.187 56.100 0.043 0.000 0.896 13 R CB 2.206 32.526 30.300 0.034 0.000 1.211 13 R HN 0.705 nan 8.270 nan 0.000 0.456 14 A N 3.829 126.672 122.820 0.038 0.000 2.511 14 A HA 0.259 3.156 4.320 -2.373 0.000 0.242 14 A C -2.048 175.553 177.584 0.028 0.000 1.069 14 A CA -0.772 51.285 52.037 0.032 0.000 0.763 14 A CB -0.411 18.614 19.000 0.042 0.000 1.001 14 A HN 0.346 nan 8.150 nan 0.000 0.498 15 P HA 0.105 nan 4.420 nan 0.000 0.266 15 P C -0.133 177.193 177.300 0.043 0.000 1.193 15 P CA 0.354 63.465 63.100 0.019 0.000 0.770 15 P CB 0.404 32.101 31.700 -0.004 0.000 0.836 16 R N 1.342 121.867 120.500 0.041 0.000 2.923 16 R HA 0.747 3.663 4.340 -2.373 0.000 0.252 16 R C 0.758 177.105 176.300 0.078 0.000 1.130 16 R CA -0.184 55.949 56.100 0.054 0.000 1.043 16 R CB 0.430 30.746 30.300 0.028 0.000 1.205 16 R HN 0.769 nan 8.270 nan 0.000 0.495 17 G N 0.917 109.770 108.800 0.088 0.000 2.562 17 G HA2 -0.314 2.223 3.960 -2.373 0.000 0.250 17 G HA3 -0.314 2.223 3.960 -2.373 0.000 0.250 17 G C 0.122 175.150 174.900 0.214 0.000 1.269 17 G CA 0.165 45.329 45.100 0.106 0.000 0.919 17 G HN 0.613 nan 8.290 nan 0.000 0.574 18 N N 0.436 119.256 118.700 0.200 0.000 2.236 18 N HA 0.022 3.338 4.740 -2.373 0.000 0.196 18 N C 0.804 176.412 175.510 0.162 0.000 1.114 18 N CA 0.220 53.468 53.050 0.328 0.000 0.859 18 N CB 0.616 39.260 38.487 0.261 0.000 0.982 18 N HN 0.583 nan 8.380 nan 0.000 0.493 19 K N 1.980 122.409 120.400 0.049 0.000 2.349 19 K HA 0.188 3.084 4.320 -2.373 0.000 0.288 19 K C -0.328 176.174 176.600 -0.163 0.000 1.058 19 K CA -0.129 56.131 56.287 -0.046 0.000 0.953 19 K CB 0.543 33.028 32.500 -0.026 0.000 0.997 19 K HN -0.001 nan 8.250 nan 0.000 0.477 20 L N 4.336 125.407 121.223 -0.253 0.000 2.326 20 L HA 0.135 3.052 4.340 -2.373 0.000 0.278 20 L C 1.219 177.959 176.870 -0.217 0.000 1.092 20 L CA -0.421 54.204 54.840 -0.358 0.000 0.810 20 L CB 1.513 43.306 42.059 -0.443 0.000 1.153 20 L HN 0.840 nan 8.230 nan 0.000 0.439 21 T N 1.128 115.560 114.554 -0.203 0.000 2.953 21 T HA 0.109 3.036 4.350 -2.373 0.000 0.247 21 T C 0.892 175.503 174.700 -0.147 0.000 1.029 21 T CA 0.563 62.576 62.100 -0.144 0.000 1.144 21 T CB 0.250 69.046 68.868 -0.120 0.000 0.870 21 T HN 0.693 nan 8.240 nan 0.000 0.446 22 A N 1.148 123.863 122.820 -0.175 0.000 2.267 22 A HA 0.383 3.279 4.320 -2.373 0.000 0.271 22 A C 1.228 178.718 177.584 -0.157 0.000 1.131 22 A CA -0.188 51.759 52.037 -0.150 0.000 0.818 22 A CB 0.374 19.290 19.000 -0.140 0.000 1.118 22 A HN 0.294 nan 8.150 nan 0.000 0.501 23 K N -0.593 119.739 120.400 -0.114 0.000 2.228 23 K HA 0.036 2.932 4.320 -2.373 0.000 0.202 23 K C 0.568 177.107 176.600 -0.102 0.000 1.051 23 K CA 1.221 57.452 56.287 -0.093 0.000 0.960 23 K CB -0.032 32.436 32.500 -0.054 0.000 0.743 23 K HN 0.757 nan 8.250 nan 0.000 0.458 24 S N -2.508 113.126 115.700 -0.109 0.000 2.688 24 S HA 0.176 3.222 4.470 -2.373 0.000 0.275 24 S C -0.346 174.190 174.600 -0.108 0.000 1.175 24 S CA -1.035 57.112 58.200 -0.088 0.000 0.818 24 S CB -0.072 63.146 63.200 0.029 0.000 1.157 24 S HN 0.263 nan 8.310 nan 0.000 0.482 25 W N 0.415 121.739 121.300 0.041 0.000 2.465 25 W HA 0.174 3.410 4.660 -2.374 0.000 0.268 25 W C 1.929 178.498 176.519 0.084 0.000 1.242 25 W CA 0.279 57.658 57.345 0.056 0.000 1.248 25 W CB -0.275 29.220 29.460 0.058 0.000 1.118 25 W HN 0.515 nan 8.180 nan 0.000 0.587 26 L N -0.297 121.094 121.223 0.280 0.000 2.141 26 L HA -0.166 2.751 4.340 -2.373 0.000 0.209 26 L C 2.444 179.427 176.870 0.189 0.000 1.094 26 L CA 1.790 56.771 54.840 0.234 0.000 0.763 26 L CB -1.278 40.886 42.059 0.174 0.000 0.908 26 L HN 0.071 nan 8.230 nan 0.000 0.437 27 T N -4.737 109.879 114.554 0.104 0.000 3.023 27 T HA -0.023 2.903 4.350 -2.373 0.000 0.249 27 T C 1.601 176.292 174.700 -0.015 0.000 1.050 27 T CA 0.322 62.441 62.100 0.031 0.000 1.088 27 T CB 0.205 69.067 68.868 -0.010 0.000 0.946 27 T HN 0.079 nan 8.240 nan 0.000 0.480 28 E N 2.271 122.464 120.200 -0.012 0.000 2.110 28 E HA 0.054 2.980 4.350 -2.373 0.000 0.193 28 E C 2.256 178.906 176.600 0.083 0.000 0.988 28 E CA 1.324 57.695 56.400 -0.048 0.000 0.804 28 E CB -0.733 28.823 29.700 -0.239 0.000 0.745 28 E HN 0.584 nan 8.360 nan 0.000 0.458 29 A N 1.415 124.372 122.820 0.228 0.000 1.851 29 A HA -0.120 2.776 4.320 -2.373 0.000 0.216 29 A C -0.162 177.464 177.584 0.070 0.000 1.195 29 A CA 1.966 54.186 52.037 0.306 0.000 0.622 29 A CB -1.872 17.428 19.000 0.501 0.000 0.831 29 A HN 0.394 nan 8.150 nan 0.000 0.444 30 P HA -0.137 nan 4.420 nan 0.000 0.218 30 P C 1.703 178.727 177.300 -0.462 0.000 1.149 30 P CA 1.143 63.750 63.100 -0.821 0.000 0.817 30 P CB -0.184 31.029 31.700 -0.812 0.000 0.785 31 L N 0.349 121.388 121.223 -0.307 0.000 1.989 31 L HA -0.127 2.790 4.340 -2.373 0.000 0.211 31 L C 2.726 179.469 176.870 -0.212 0.000 1.071 31 L CA 1.951 56.612 54.840 -0.299 0.000 0.749 31 L CB -0.997 40.939 42.059 -0.205 0.000 0.890 31 L HN -0.234 nan 8.230 nan 0.000 0.431 32 R N -1.385 119.065 120.500 -0.083 0.000 2.081 32 R HA -0.122 2.794 4.340 -2.373 0.000 0.235 32 R C 2.079 178.389 176.300 0.017 0.000 1.131 32 R CA 1.651 57.749 56.100 -0.003 0.000 0.960 32 R CB -0.401 29.950 30.300 0.086 0.000 0.856 32 R HN 0.369 nan 8.270 nan 0.000 0.436 33 M N 0.332 119.963 119.600 0.052 0.000 2.319 33 M HA -0.067 2.989 4.480 -2.373 0.000 0.265 33 M C 2.179 178.534 176.300 0.092 0.000 1.068 33 M CA 0.928 56.330 55.300 0.169 0.000 1.118 33 M CB -0.850 32.001 32.600 0.420 0.000 1.395 33 M HN 0.136 nan 8.290 nan 0.000 0.435 34 L N 0.763 121.860 121.223 -0.210 0.000 2.027 34 L HA -0.101 2.815 4.340 -2.373 0.000 0.206 34 L C 2.148 178.909 176.870 -0.181 0.000 1.074 34 L CA 1.872 56.388 54.840 -0.539 0.000 0.745 34 L CB -0.595 40.711 42.059 -1.256 0.000 0.898 34 L HN 0.213 nan 8.230 nan 0.000 0.433 35 M N -0.590 118.952 119.600 -0.096 0.000 2.254 35 M HA -0.138 2.918 4.480 -2.373 0.000 0.265 35 M C 2.032 178.361 176.300 0.048 0.000 1.066 35 M CA 1.699 57.013 55.300 0.022 0.000 1.123 35 M CB -0.586 32.032 32.600 0.031 0.000 1.388 35 M HN 0.414 nan 8.290 nan 0.000 0.425 36 N N 0.951 119.686 118.700 0.058 0.000 2.166 36 N HA -0.160 3.156 4.740 -2.373 0.000 0.186 36 N C 1.265 176.861 175.510 0.142 0.000 1.019 36 N CA 1.352 54.458 53.050 0.094 0.000 0.856 36 N CB -0.122 38.426 38.487 0.102 0.000 0.993 36 N HN 0.162 nan 8.380 nan 0.000 0.426 37 N N -0.328 118.476 118.700 0.174 0.000 2.348 37 N HA -0.042 3.274 4.740 -2.373 0.000 0.185 37 N C 0.699 176.321 175.510 0.187 0.000 1.019 37 N CA 0.710 53.911 53.050 0.251 0.000 0.880 37 N CB 0.001 38.656 38.487 0.280 0.000 0.965 37 N HN 0.377 nan 8.380 nan 0.000 0.437 38 L N -0.842 120.446 121.223 0.108 0.000 2.693 38 L HA 0.168 3.084 4.340 -2.373 0.000 0.235 38 L C 0.316 177.234 176.870 0.079 0.000 1.127 38 L CA -0.251 54.629 54.840 0.066 0.000 0.914 38 L CB 0.139 42.188 42.059 -0.016 0.000 1.193 38 L HN 0.031 nan 8.230 nan 0.000 0.502 39 D N 1.814 122.272 120.400 0.096 0.000 2.533 39 D HA -0.034 3.183 4.640 -2.373 0.000 0.236 39 D C -1.565 174.791 176.300 0.092 0.000 1.137 39 D CA -1.021 53.029 54.000 0.084 0.000 0.867 39 D CB 1.752 42.602 40.800 0.084 0.000 1.170 39 D HN -0.066 nan 8.370 nan 0.000 0.474 40 P HA -0.149 nan 4.420 nan 0.000 0.218 40 P C 1.080 178.433 177.300 0.088 0.000 1.146 40 P CA 1.091 64.236 63.100 0.076 0.000 0.813 40 P CB 0.191 31.925 31.700 0.057 0.000 0.778 41 Q N -1.014 118.837 119.800 0.086 0.000 2.378 41 Q HA -0.036 2.881 4.340 -2.373 0.000 0.205 41 Q C 1.462 177.528 176.000 0.110 0.000 0.954 41 Q CA 0.810 56.666 55.803 0.088 0.000 0.901 41 Q CB 0.085 28.868 28.738 0.075 0.000 0.981 41 Q HN 0.097 nan 8.270 nan 0.000 0.483 42 V N -0.383 119.612 119.914 0.135 0.000 2.743 42 V HA 0.249 2.946 4.120 -2.373 0.000 0.237 42 V C 0.723 177.002 176.094 0.308 0.000 1.113 42 V CA 0.649 63.063 62.300 0.190 0.000 1.141 42 V CB 0.230 32.165 31.823 0.186 0.000 0.873 42 V HN 0.274 nan 8.190 nan 0.000 0.486 43 A N 0.203 123.171 122.820 0.247 0.000 2.322 43 A HA 0.271 3.167 4.320 -2.373 0.000 0.269 43 A C 1.284 178.972 177.584 0.173 0.000 1.094 43 A CA 0.137 52.307 52.037 0.223 0.000 0.807 43 A CB 0.508 19.598 19.000 0.149 0.000 1.047 43 A HN 0.463 nan 8.150 nan 0.000 0.487 44 E N 0.624 120.913 120.200 0.148 0.000 2.046 44 E HA -0.155 2.771 4.350 -2.373 0.000 0.190 44 E C 0.023 176.680 176.600 0.095 0.000 0.982 44 E CA 1.355 57.826 56.400 0.119 0.000 0.800 44 E CB 0.065 29.827 29.700 0.104 0.000 0.756 44 E HN 0.661 nan 8.360 nan 0.000 0.449 45 N N -0.357 118.394 118.700 0.086 0.000 2.666 45 N HA 0.127 3.443 4.740 -2.373 0.000 0.253 45 N C -2.363 173.203 175.510 0.093 0.000 1.621 45 N CA -1.257 51.848 53.050 0.092 0.000 0.785 45 N CB 1.367 39.907 38.487 0.087 0.000 1.332 45 N HN -0.017 nan 8.380 nan 0.000 0.514 46 P HA -0.085 nan 4.420 nan 0.000 0.226 46 P C 0.668 178.055 177.300 0.144 0.000 1.153 46 P CA 0.844 63.990 63.100 0.077 0.000 0.777 46 P CB 0.460 32.203 31.700 0.072 0.000 0.794 47 K N 0.151 120.635 120.400 0.140 0.000 2.283 47 K HA -0.071 2.825 4.320 -2.373 0.000 0.202 47 K C 1.307 178.086 176.600 0.298 0.000 1.048 47 K CA 0.933 57.283 56.287 0.106 0.000 0.948 47 K CB -0.052 32.383 32.500 -0.108 0.000 0.742 47 K HN 0.304 nan 8.250 nan 0.000 0.458 48 E N 0.342 120.704 120.200 0.270 0.000 2.569 48 E HA 0.155 3.081 4.350 -2.373 0.000 0.205 48 E C -0.239 176.388 176.600 0.045 0.000 1.006 48 E CA -0.067 56.487 56.400 0.257 0.000 0.985 48 E CB 0.283 30.122 29.700 0.233 0.000 1.060 48 E HN 0.117 nan 8.360 nan 0.000 0.460 49 L N -0.326 120.863 121.223 -0.056 0.000 4.696 49 L HA -0.219 2.697 4.340 -2.373 0.000 0.425 49 L C -0.153 176.655 176.870 -0.103 0.000 1.115 49 L CA 0.059 54.751 54.840 -0.247 0.000 0.996 49 L CB -1.514 40.245 42.059 -0.500 0.000 2.077 49 L HN 0.042 nan 8.230 nan 0.000 0.792 50 V N 0.574 120.473 119.914 -0.026 0.000 2.427 50 V HA 0.090 2.787 4.120 -2.373 0.000 0.268 50 V C 1.355 177.441 176.094 -0.014 0.000 1.046 50 V CA 0.303 62.590 62.300 -0.021 0.000 0.970 50 V CB 1.504 33.335 31.823 0.013 0.000 1.001 50 V HN 0.132 nan 8.190 nan 0.000 0.476 51 V N 5.147 125.022 119.914 -0.066 0.000 2.341 51 V HA 0.100 2.796 4.120 -2.373 0.000 0.240 51 V C 0.338 176.396 176.094 -0.059 0.000 1.035 51 V CA 1.275 63.546 62.300 -0.049 0.000 1.033 51 V CB -0.382 31.399 31.823 -0.071 0.000 0.678 51 V HN 0.941 nan 8.190 nan 0.000 0.464 52 Y N -3.120 117.022 120.300 -0.263 0.000 2.689 52 Y HA 0.692 3.819 4.550 -2.371 0.000 0.333 52 Y C 0.427 176.262 175.900 -0.109 0.000 1.208 52 Y CA -0.686 57.287 58.100 -0.211 0.000 1.055 52 Y CB 1.001 39.235 38.460 -0.378 0.000 1.304 52 Y HN 0.249 nan 8.280 nan 0.000 0.455 53 G N 0.054 108.920 108.800 0.110 0.000 2.160 53 G HA2 0.147 2.683 3.960 -2.373 0.000 0.251 53 G HA3 0.147 2.683 3.960 -2.373 0.000 0.251 53 G C 1.241 176.152 174.900 0.019 0.000 1.008 53 G CA 1.250 46.387 45.100 0.061 0.000 0.724 53 G HN 2.536 nan 8.290 nan 0.000 0.514 54 G N -0.343 108.465 108.800 0.014 0.000 2.779 54 G HA2 -0.302 2.234 3.960 -2.373 0.000 0.230 54 G HA3 -0.302 2.234 3.960 -2.373 0.000 0.230 54 G C 1.188 176.095 174.900 0.011 0.000 1.243 54 G CA 1.583 46.689 45.100 0.010 0.000 0.769 54 G HN 2.133 nan 8.290 nan 0.000 0.516 55 I N -1.246 119.337 120.570 0.023 0.000 4.160 55 I HA 0.600 3.346 4.170 -2.373 0.000 0.325 55 I C 0.914 177.076 176.117 0.073 0.000 1.455 55 I CA 0.102 61.446 61.300 0.073 0.000 1.142 55 I CB 0.647 38.715 38.000 0.113 0.000 1.262 55 I HN 0.404 nan 8.210 nan 0.000 0.483 56 G N 2.548 111.280 108.800 -0.113 0.000 2.396 56 G HA2 0.436 2.972 3.960 -2.373 0.000 0.292 56 G HA3 0.436 2.972 3.960 -2.373 0.000 0.292 56 G C -0.236 174.520 174.900 -0.239 0.000 1.106 56 G CA -0.272 44.617 45.100 -0.352 0.000 1.055 56 G HN 0.292 nan 8.290 nan 0.000 0.424 57 R N 1.616 122.049 120.500 -0.111 0.000 2.720 57 R HA 0.534 3.450 4.340 -2.373 0.000 0.272 57 R C 0.978 177.291 176.300 0.021 0.000 0.991 57 R CA -0.435 55.639 56.100 -0.042 0.000 1.010 57 R CB 1.882 32.181 30.300 -0.001 0.000 1.141 57 R HN 0.466 nan 8.270 nan 0.000 0.494 58 A N 0.933 123.786 122.820 0.056 0.000 2.030 58 A HA 0.342 3.238 4.320 -2.373 0.000 0.215 58 A C 0.475 178.237 177.584 0.297 0.000 1.164 58 A CA 1.224 53.400 52.037 0.230 0.000 0.697 58 A CB 0.233 19.314 19.000 0.135 0.000 0.827 58 A HN 0.657 nan 8.150 nan 0.000 0.457 59 A N -1.892 120.986 122.820 0.095 0.000 2.606 59 A HA 0.625 3.522 4.320 -2.373 0.000 0.293 59 A C 0.595 178.173 177.584 -0.010 0.000 1.082 59 A CA -0.065 52.024 52.037 0.087 0.000 0.685 59 A CB 0.490 19.536 19.000 0.076 0.000 1.284 59 A HN 0.157 nan 8.150 nan 0.000 0.408 60 R N -0.014 120.494 120.500 0.013 0.000 2.092 60 R HA -0.097 2.820 4.340 -2.373 0.000 0.231 60 R C 0.264 176.541 176.300 -0.038 0.000 1.119 60 R CA 2.258 58.360 56.100 0.004 0.000 0.970 60 R CB -0.148 30.163 30.300 0.019 0.000 0.864 60 R HN 0.917 nan 8.270 nan 0.000 0.440 61 N N -4.265 114.390 118.700 -0.075 0.000 3.339 61 N HA 0.002 3.318 4.740 -2.373 0.000 0.275 61 N C -0.594 174.836 175.510 -0.133 0.000 1.514 61 N CA -0.773 52.218 53.050 -0.099 0.000 0.879 61 N CB -0.550 37.956 38.487 0.031 0.000 1.557 61 N HN -0.102 nan 8.380 nan 0.000 0.524 62 W N 0.088 121.430 121.300 0.069 0.000 2.402 62 W HA 0.124 3.361 4.660 -2.371 0.000 0.286 62 W C 1.663 178.252 176.519 0.116 0.000 1.221 62 W CA 0.795 58.192 57.345 0.086 0.000 1.257 62 W CB -0.010 29.469 29.460 0.031 0.000 1.120 62 W HN 0.586 nan 8.180 nan 0.000 0.551 63 E N -0.708 119.648 120.200 0.260 0.000 2.077 63 E HA -0.223 2.703 4.350 -2.373 0.000 0.193 63 E C 2.030 178.700 176.600 0.116 0.000 0.989 63 E CA 1.650 58.149 56.400 0.165 0.000 0.800 63 E CB -0.642 29.124 29.700 0.111 0.000 0.746 63 E HN 0.261 nan 8.360 nan 0.000 0.452 64 C N 0.486 119.841 119.300 0.091 0.000 2.432 64 C HA -0.153 2.883 4.460 -2.373 0.000 0.277 64 C C 2.559 177.580 174.990 0.051 0.000 1.249 64 C CA 0.611 59.663 59.018 0.058 0.000 1.725 64 C CB -1.042 26.726 27.740 0.047 0.000 2.028 64 C HN 0.491 nan 8.230 nan 0.000 0.477 65 Y N 2.489 122.753 120.300 -0.059 0.000 2.081 65 Y HA -0.240 2.886 4.550 -2.374 0.000 0.280 65 Y C 2.143 178.035 175.900 -0.013 0.000 1.163 65 Y CA 2.227 60.271 58.100 -0.093 0.000 1.135 65 Y CB -0.634 37.688 38.460 -0.231 0.000 0.970 65 Y HN 0.314 nan 8.280 nan 0.000 0.498 66 D N 0.153 120.601 120.400 0.080 0.000 2.116 66 D HA -0.203 3.013 4.640 -2.373 0.000 0.193 66 D C 2.077 178.304 176.300 -0.122 0.000 0.998 66 D CA 1.845 55.837 54.000 -0.013 0.000 0.836 66 D CB -0.308 40.567 40.800 0.124 0.000 0.951 66 D HN 0.224 nan 8.370 nan 0.000 0.449 67 K N 0.611 120.971 120.400 -0.066 0.000 2.103 67 K HA 0.023 2.919 4.320 -2.373 0.000 0.204 67 K C 2.094 178.630 176.600 -0.107 0.000 1.052 67 K CA 0.488 56.736 56.287 -0.066 0.000 0.945 67 K CB -0.407 32.080 32.500 -0.021 0.000 0.722 67 K HN 0.133 nan 8.250 nan 0.000 0.443 68 I N -0.210 120.276 120.570 -0.141 0.000 2.127 68 I HA -0.308 2.439 4.170 -2.373 0.000 0.241 68 I C 2.010 177.966 176.117 -0.268 0.000 1.075 68 I CA 1.139 62.339 61.300 -0.167 0.000 1.334 68 I CB -0.354 37.545 38.000 -0.169 0.000 1.040 68 I HN -0.077 nan 8.210 nan 0.000 0.405 69 V N 0.728 120.393 119.914 -0.416 0.000 2.287 69 V HA -0.327 2.369 4.120 -2.373 0.000 0.248 69 V C 2.529 178.486 176.094 -0.229 0.000 1.053 69 V CA 2.319 64.385 62.300 -0.390 0.000 1.027 69 V CB -0.710 30.812 31.823 -0.502 0.000 0.646 69 V HN 0.522 nan 8.190 nan 0.000 0.447 70 E N -0.103 119.990 120.200 -0.179 0.000 2.077 70 E HA -0.231 2.695 4.350 -2.373 0.000 0.193 70 E C 2.178 178.718 176.600 -0.100 0.000 0.989 70 E CA 1.966 58.297 56.400 -0.116 0.000 0.800 70 E CB -0.128 29.521 29.700 -0.085 0.000 0.746 70 E HN 0.652 nan 8.360 nan 0.000 0.452 71 T N 1.518 116.013 114.554 -0.099 0.000 2.737 71 T HA -0.098 2.828 4.350 -2.373 0.000 0.265 71 T C 1.948 176.602 174.700 -0.076 0.000 1.038 71 T CA 1.063 63.118 62.100 -0.075 0.000 1.144 71 T CB -0.215 68.620 68.868 -0.056 0.000 0.866 71 T HN 0.151 nan 8.240 nan 0.000 0.434 72 L N 0.905 122.067 121.223 -0.102 0.000 2.079 72 L HA -0.134 2.782 4.340 -2.373 0.000 0.210 72 L C 2.848 179.659 176.870 -0.099 0.000 1.081 72 L CA 1.191 55.970 54.840 -0.102 0.000 0.752 72 L CB -1.029 40.934 42.059 -0.159 0.000 0.896 72 L HN 0.307 nan 8.230 nan 0.000 0.433 73 T N -0.362 114.126 114.554 -0.111 0.000 2.833 73 T HA -0.157 2.770 4.350 -2.373 0.000 0.269 73 T C 1.657 176.310 174.700 -0.080 0.000 1.054 73 T CA 1.545 63.584 62.100 -0.102 0.000 1.135 73 T CB -0.146 68.660 68.868 -0.103 0.000 0.869 73 T HN 0.437 nan 8.240 nan 0.000 0.466 74 R N 0.117 120.576 120.500 -0.069 0.000 2.365 74 R HA 0.377 3.293 4.340 -2.373 0.000 0.223 74 R C 0.308 176.581 176.300 -0.044 0.000 0.899 74 R CA -0.293 55.774 56.100 -0.054 0.000 1.059 74 R CB -0.686 29.584 30.300 -0.051 0.000 1.086 74 R HN 0.151 nan 8.270 nan 0.000 0.522 75 L N 2.659 123.857 121.223 -0.042 0.000 2.513 75 L HA 0.072 2.988 4.340 -2.373 0.000 0.272 75 L C -0.105 176.756 176.870 -0.015 0.000 1.187 75 L CA 0.545 55.370 54.840 -0.025 0.000 0.895 75 L CB 0.377 42.426 42.059 -0.017 0.000 1.147 75 L HN 0.200 nan 8.230 nan 0.000 0.483 76 E N 3.076 123.273 120.200 -0.006 0.000 2.349 76 E HA 0.036 2.962 4.350 -2.373 0.000 0.262 76 E C 0.236 176.849 176.600 0.021 0.000 1.088 76 E CA -0.384 56.019 56.400 0.005 0.000 0.899 76 E CB 0.663 30.367 29.700 0.007 0.000 1.044 76 E HN 0.536 nan 8.360 nan 0.000 0.420 77 D N 0.705 121.123 120.400 0.030 0.000 2.350 77 D HA -0.123 3.093 4.640 -2.373 0.000 0.216 77 D C 0.734 177.063 176.300 0.048 0.000 0.968 77 D CA 0.848 54.875 54.000 0.046 0.000 0.894 77 D CB 0.065 40.898 40.800 0.055 0.000 0.909 77 D HN 0.386 nan 8.370 nan 0.000 0.520 78 D N -0.511 119.917 120.400 0.046 0.000 2.424 78 D HA 0.034 3.250 4.640 -2.373 0.000 0.220 78 D C 0.058 176.385 176.300 0.046 0.000 1.150 78 D CA -0.116 53.918 54.000 0.056 0.000 0.831 78 D CB -0.075 40.767 40.800 0.071 0.000 0.981 78 D HN 0.064 nan 8.370 nan 0.000 0.500 79 E N -0.515 119.707 120.200 0.036 0.000 2.244 79 E HA 0.541 3.468 4.350 -2.373 0.000 0.266 79 E C -0.883 175.744 176.600 0.045 0.000 0.914 79 E CA -0.797 55.627 56.400 0.040 0.000 0.794 79 E CB 1.971 31.683 29.700 0.019 0.000 1.210 79 E HN -0.129 nan 8.360 nan 0.000 0.414 80 T N 1.899 116.497 114.554 0.073 0.000 2.841 80 T HA 0.320 3.246 4.350 -2.373 0.000 0.285 80 T C -1.057 173.710 174.700 0.112 0.000 0.991 80 T CA -0.642 61.510 62.100 0.087 0.000 0.966 80 T CB 0.768 69.686 68.868 0.083 0.000 0.962 80 T HN 0.211 nan 8.240 nan 0.000 0.438 81 L N 4.466 125.745 121.223 0.093 0.000 2.292 81 L HA 0.596 3.513 4.340 -2.373 0.000 0.284 81 L C -1.257 175.682 176.870 0.115 0.000 1.065 81 L CA -0.518 54.378 54.840 0.094 0.000 0.806 81 L CB 0.324 42.426 42.059 0.072 0.000 1.175 81 L HN 0.404 nan 8.230 nan 0.000 0.431 82 L N 6.252 127.558 121.223 0.138 0.000 2.275 82 L HA 0.480 3.396 4.340 -2.373 0.000 0.288 82 L C -0.425 176.500 176.870 0.092 0.000 1.046 82 L CA -0.015 54.898 54.840 0.121 0.000 0.805 82 L CB 1.565 43.725 42.059 0.167 0.000 1.193 82 L HN 0.377 nan 8.230 nan 0.000 0.426 83 V N 4.056 124.008 119.914 0.064 0.000 2.384 83 V HA 0.456 3.152 4.120 -2.373 0.000 0.287 83 V C -0.150 175.966 176.094 0.037 0.000 1.020 83 V CA -0.694 61.640 62.300 0.057 0.000 0.850 83 V CB 1.576 33.420 31.823 0.035 0.000 0.987 83 V HN 0.691 nan 8.190 nan 0.000 0.436 84 Q N 3.115 122.940 119.800 0.042 0.000 2.363 84 Q HA 0.300 3.216 4.340 -2.373 0.000 0.265 84 Q C -0.074 175.941 176.000 0.024 0.000 1.032 84 Q CA -0.256 55.564 55.803 0.029 0.000 0.746 84 Q CB 1.609 30.365 28.738 0.031 0.000 1.237 84 Q HN 0.869 nan 8.270 nan 0.000 0.475 85 S N 3.209 118.916 115.700 0.012 0.000 3.447 85 S HA -0.226 2.821 4.470 -2.373 0.000 0.371 85 S C 0.849 175.470 174.600 0.034 0.000 0.951 85 S CA 1.206 59.416 58.200 0.016 0.000 1.269 85 S CB -1.628 61.588 63.200 0.027 0.000 0.919 85 S HN 1.195 nan 8.310 nan 0.000 0.516 86 G N 0.229 109.058 108.800 0.049 0.000 2.155 86 G HA2 -0.329 2.208 3.960 -2.373 0.000 0.257 86 G HA3 -0.329 2.208 3.960 -2.373 0.000 0.257 86 G C -0.211 174.746 174.900 0.095 0.000 0.983 86 G CA 0.847 46.006 45.100 0.098 0.000 0.676 86 G HN 0.839 nan 8.290 nan 0.000 0.528 87 K N 0.816 121.260 120.400 0.073 0.000 2.376 87 K HA 0.554 3.450 4.320 -2.373 0.000 0.257 87 K C -2.720 173.920 176.600 0.066 0.000 0.939 87 K CA -2.446 53.878 56.287 0.061 0.000 0.809 87 K CB 2.557 35.081 32.500 0.039 0.000 1.121 87 K HN -0.040 nan 8.250 nan 0.000 0.425 88 P HA 0.027 nan 4.420 nan 0.000 0.273 88 P C 0.589 177.914 177.300 0.040 0.000 1.428 88 P CA -0.332 62.801 63.100 0.056 0.000 0.995 88 P CB 0.736 32.457 31.700 0.035 0.000 1.286 89 V N 1.701 121.649 119.914 0.056 0.000 2.992 89 V HA 0.487 3.184 4.120 -2.373 0.000 0.250 89 V C 0.807 176.938 176.094 0.062 0.000 1.090 89 V CA 0.897 63.232 62.300 0.057 0.000 1.101 89 V CB -0.523 31.342 31.823 0.070 0.000 0.743 89 V HN 0.499 nan 8.190 nan 0.000 0.468 90 G N -0.831 108.016 108.800 0.079 0.000 2.703 90 G HA2 0.579 3.115 3.960 -2.373 0.000 0.294 90 G HA3 0.579 3.115 3.960 -2.373 0.000 0.294 90 G C -1.915 172.949 174.900 -0.060 0.000 1.451 90 G CA -0.348 44.752 45.100 -0.001 0.000 0.869 90 G HN 0.213 nan 8.290 nan 0.000 0.516 91 V N 0.966 120.656 119.914 -0.374 0.000 2.483 91 V HA 0.714 3.410 4.120 -2.373 0.000 0.297 91 V C -1.092 174.688 176.094 -0.524 0.000 1.027 91 V CA -0.548 61.603 62.300 -0.248 0.000 0.855 91 V CB 1.053 32.780 31.823 -0.161 0.000 0.995 91 V HN 0.600 nan 8.190 nan 0.000 0.424 92 F N 2.204 122.159 119.950 0.008 0.000 2.588 92 F HA 0.526 3.629 4.527 -2.373 0.000 0.314 92 F C 0.211 176.018 175.800 0.011 0.000 1.069 92 F CA -0.965 57.040 58.000 0.009 0.000 0.931 92 F CB 2.016 41.022 39.000 0.009 0.000 1.260 92 F HN 0.269 nan 8.300 nan 0.000 0.465 93 K N 1.309 121.828 120.400 0.198 0.000 2.379 93 K HA 0.343 3.239 4.320 -2.373 0.000 0.284 93 K C 0.087 176.765 176.600 0.129 0.000 1.044 93 K CA 0.302 56.664 56.287 0.126 0.000 0.974 93 K CB 0.616 33.176 32.500 0.100 0.000 0.962 93 K HN 0.943 nan 8.250 nan 0.000 0.474 94 T N 0.775 115.386 114.554 0.096 0.000 1.603 94 T HA 0.330 3.256 4.350 -2.373 0.000 0.175 94 T C -0.447 174.340 174.700 0.145 0.000 0.690 94 T CA -0.375 61.775 62.100 0.082 0.000 1.052 94 T CB 0.172 69.016 68.868 -0.039 0.000 3.292 94 T HN 0.851 nan 8.240 nan 0.000 0.411 95 H N -1.257 117.845 119.070 0.053 0.000 2.981 95 H HA 0.653 3.785 4.556 -2.373 0.000 0.327 95 H C 0.815 176.175 175.328 0.053 0.000 1.342 95 H CA -0.279 55.797 56.048 0.047 0.000 1.123 95 H CB 0.715 30.500 29.762 0.038 0.000 1.851 95 H HN 0.434 nan 8.280 nan 0.000 0.531 96 S N -0.419 115.380 115.700 0.165 0.000 2.474 96 S HA -0.131 2.915 4.470 -2.373 0.000 0.235 96 S C 0.702 175.365 174.600 0.104 0.000 0.997 96 S CA 1.091 59.354 58.200 0.105 0.000 0.949 96 S CB -0.355 62.912 63.200 0.112 0.000 0.766 96 S HN 0.647 nan 8.310 nan 0.000 0.517 97 N N 1.686 120.522 118.700 0.228 0.000 2.280 97 N HA 0.378 3.694 4.740 -2.373 0.000 0.192 97 N C 0.348 175.870 175.510 0.020 0.000 1.109 97 N CA 0.489 53.658 53.050 0.199 0.000 0.855 97 N CB 0.441 39.113 38.487 0.309 0.000 0.974 97 N HN 0.582 nan 8.380 nan 0.000 0.482 98 A N 1.532 124.124 122.820 -0.381 0.000 2.264 98 A HA 0.595 3.491 4.320 -2.373 0.000 0.304 98 A C -2.350 175.173 177.584 -0.102 0.000 1.100 98 A CA -1.295 50.550 52.037 -0.321 0.000 0.839 98 A CB 0.128 18.787 19.000 -0.568 0.000 1.121 98 A HN -0.105 nan 8.150 nan 0.000 0.496 99 P HA 0.140 nan 4.420 nan 0.000 0.269 99 P C 0.373 177.716 177.300 0.071 0.000 1.209 99 P CA -0.228 62.908 63.100 0.060 0.000 0.776 99 P CB 0.464 32.212 31.700 0.080 0.000 0.876 100 R N 1.040 121.620 120.500 0.133 0.000 2.153 100 R HA 0.084 3.001 4.340 -2.373 0.000 0.218 100 R C 0.108 176.481 176.300 0.123 0.000 1.072 100 R CA 0.834 57.004 56.100 0.116 0.000 0.990 100 R CB -0.280 30.099 30.300 0.131 0.000 0.889 100 R HN 0.326 nan 8.270 nan 0.000 0.452 101 V N 1.753 121.771 119.914 0.174 0.000 2.638 101 V HA 0.391 3.087 4.120 -2.373 0.000 0.306 101 V C -0.461 175.720 176.094 0.146 0.000 1.052 101 V CA -0.792 61.596 62.300 0.147 0.000 0.885 101 V CB 2.551 34.445 31.823 0.118 0.000 0.999 101 V HN -0.035 nan 8.190 nan 0.000 0.424 102 L N 5.537 126.814 121.223 0.090 0.000 2.333 102 L HA 0.669 3.585 4.340 -2.373 0.000 0.280 102 L C -0.847 176.043 176.870 0.035 0.000 1.004 102 L CA -0.349 54.530 54.840 0.065 0.000 0.820 102 L CB 1.874 43.962 42.059 0.049 0.000 1.247 102 L HN 0.496 nan 8.230 nan 0.000 0.416 103 I N 2.890 123.474 120.570 0.024 0.000 2.436 103 I HA 0.668 3.414 4.170 -2.373 0.000 0.289 103 I C -0.245 175.908 176.117 0.060 0.000 1.010 103 I CA -0.510 60.791 61.300 0.002 0.000 1.098 103 I CB 2.096 40.052 38.000 -0.074 0.000 1.266 103 I HN 0.634 nan 8.210 nan 0.000 0.434 104 A N 5.738 128.585 122.820 0.046 0.000 2.357 104 A HA 0.708 3.605 4.320 -2.373 0.000 0.295 104 A C -1.121 176.468 177.584 0.008 0.000 1.121 104 A CA -0.663 51.408 52.037 0.058 0.000 0.742 104 A CB 0.745 19.764 19.000 0.033 0.000 1.181 104 A HN 0.653 nan 8.150 nan 0.000 0.454 105 N N 0.752 119.416 118.700 -0.061 0.000 2.284 105 N HA 0.526 3.843 4.740 -2.373 0.000 0.300 105 N C 0.159 175.620 175.510 -0.081 0.000 1.047 105 N CA 0.202 53.144 53.050 -0.180 0.000 0.821 105 N CB 1.689 39.848 38.487 -0.547 0.000 1.337 105 N HN 0.659 nan 8.380 nan 0.000 0.482 106 S N -0.157 115.582 115.700 0.065 0.000 3.228 106 S HA -0.174 2.872 4.470 -2.373 0.000 0.282 106 S C -0.034 174.739 174.600 0.288 0.000 1.286 106 S CA 0.280 58.618 58.200 0.229 0.000 1.066 106 S CB -1.493 61.861 63.200 0.257 0.000 1.277 106 S HN 0.674 nan 8.310 nan 0.000 0.661 107 N N 1.386 120.179 118.700 0.155 0.000 2.470 107 N HA 0.475 3.791 4.740 -2.373 0.000 0.268 107 N C -0.322 175.199 175.510 0.018 0.000 1.136 107 N CA 0.402 53.494 53.050 0.070 0.000 0.961 107 N CB 0.611 39.105 38.487 0.012 0.000 1.067 107 N HN 0.413 nan 8.380 nan 0.000 0.468 108 L N 1.537 122.691 121.223 -0.114 0.000 2.381 108 L HA 0.384 3.301 4.340 -2.373 0.000 0.268 108 L C 0.057 176.872 176.870 -0.092 0.000 0.997 108 L CA -1.226 53.588 54.840 -0.043 0.000 0.818 108 L CB 2.175 44.284 42.059 0.084 0.000 1.310 108 L HN 0.099 nan 8.230 nan 0.000 0.416 109 V N 3.869 123.784 119.914 0.002 0.000 2.584 109 V HA -0.070 2.627 4.120 -2.373 0.000 0.303 109 V C -1.268 174.919 176.094 0.155 0.000 1.035 109 V CA -0.375 61.972 62.300 0.077 0.000 1.172 109 V CB 0.616 32.504 31.823 0.108 0.000 0.896 109 V HN 0.718 nan 8.190 nan 0.000 0.486 110 P HA -0.215 nan 4.420 nan 0.000 0.216 110 P C 1.623 178.924 177.300 0.002 0.000 1.154 110 P CA 1.538 64.633 63.100 -0.008 0.000 0.865 110 P CB 0.067 31.753 31.700 -0.025 0.000 0.789 111 H N -2.211 116.818 119.070 -0.068 0.000 2.489 111 H HA -0.103 3.001 4.556 -2.420 0.000 0.293 111 H C 1.050 176.064 175.328 -0.523 0.000 1.066 111 H CA 1.391 57.205 56.048 -0.390 0.000 1.305 111 H CB -0.375 28.951 29.762 -0.727 0.000 1.386 111 H HN 0.267 nan 8.280 nan 0.000 0.551 112 W N -0.239 120.958 121.300 -0.172 0.000 3.132 112 W HA 0.470 5.105 4.660 -0.041 0.000 0.364 112 W C 0.326 176.767 176.519 -0.130 0.000 1.129 112 W CA 0.128 57.316 57.345 -0.262 0.000 1.815 112 W CB 0.098 29.296 29.460 -0.437 0.000 1.099 112 W HN 0.165 nan 8.180 nan 0.000 0.605 113 A N 2.773 125.618 122.820 0.042 0.000 2.990 113 A HA 0.283 3.179 4.320 -2.373 0.000 0.282 113 A C -0.106 177.478 177.584 -0.001 0.000 1.688 113 A CA 0.206 52.273 52.037 0.050 0.000 1.391 113 A CB -1.388 17.577 19.000 -0.059 0.000 1.112 113 A HN 0.387 nan 8.150 nan 0.000 0.588 114 N N -1.797 116.916 118.700 0.022 0.000 2.610 114 N HA 0.395 3.711 4.740 -2.373 0.000 0.264 114 N C 0.028 175.550 175.510 0.021 0.000 1.348 114 N CA -0.995 52.040 53.050 -0.025 0.000 0.819 114 N CB 0.384 38.889 38.487 0.031 0.000 1.521 114 N HN 0.231 nan 8.380 nan 0.000 0.497 115 W N -0.125 121.242 121.300 0.112 0.000 2.363 115 W HA 0.005 3.248 4.660 -2.362 0.000 0.296 115 W C 2.030 178.653 176.519 0.174 0.000 1.212 115 W CA 0.826 58.228 57.345 0.094 0.000 1.260 115 W CB 0.135 29.594 29.460 -0.003 0.000 1.131 115 W HN 0.752 nan 8.180 nan 0.000 0.530 116 E N -0.305 120.108 120.200 0.355 0.000 2.085 116 E HA -0.329 2.598 4.350 -2.373 0.000 0.194 116 E C 1.866 178.628 176.600 0.269 0.000 0.994 116 E CA 1.800 58.360 56.400 0.266 0.000 0.801 116 E CB -0.222 29.594 29.700 0.194 0.000 0.743 116 E HN 0.362 nan 8.360 nan 0.000 0.453 117 H N -0.848 118.345 119.070 0.204 0.000 2.363 117 H HA -0.088 3.081 4.556 -2.311 0.000 0.301 117 H C 1.721 177.162 175.328 0.188 0.000 1.074 117 H CA 1.673 57.837 56.048 0.192 0.000 1.354 117 H CB -0.391 29.509 29.762 0.230 0.000 1.397 117 H HN 0.225 nan 8.280 nan 0.000 0.516 118 F N 1.218 121.241 119.950 0.121 0.000 2.087 118 F HA -0.318 2.782 4.527 -2.378 0.000 0.299 118 F C 1.946 177.789 175.800 0.071 0.000 1.100 118 F CA 1.923 59.969 58.000 0.077 0.000 1.226 118 F CB -0.384 38.673 39.000 0.095 0.000 0.983 118 F HN 0.186 nan 8.300 nan 0.000 0.479 119 N N 0.539 119.444 118.700 0.341 0.000 2.120 119 N HA -0.211 3.105 4.740 -2.373 0.000 0.188 119 N C 1.927 177.431 175.510 -0.009 0.000 1.024 119 N CA 1.477 54.645 53.050 0.197 0.000 0.852 119 N CB -0.681 37.951 38.487 0.241 0.000 1.003 119 N HN 0.588 nan 8.380 nan 0.000 0.424 120 E N 0.882 121.051 120.200 -0.052 0.000 2.058 120 E HA -0.146 2.780 4.350 -2.373 0.000 0.194 120 E C 1.951 178.430 176.600 -0.203 0.000 0.997 120 E CA 0.877 57.204 56.400 -0.121 0.000 0.801 120 E CB -0.083 29.525 29.700 -0.154 0.000 0.746 120 E HN 0.264 nan 8.360 nan 0.000 0.450 121 L N 0.750 121.775 121.223 -0.330 0.000 2.046 121 L HA -0.184 2.732 4.340 -2.373 0.000 0.208 121 L C 2.527 179.229 176.870 -0.280 0.000 1.077 121 L CA 1.365 56.015 54.840 -0.317 0.000 0.747 121 L CB -0.466 41.373 42.059 -0.366 0.000 0.896 121 L HN 0.223 nan 8.230 nan 0.000 0.432 122 D N 0.306 120.484 120.400 -0.371 0.000 2.123 122 D HA -0.202 3.014 4.640 -2.373 0.000 0.196 122 D C 2.111 178.336 176.300 -0.125 0.000 0.992 122 D CA 1.459 55.288 54.000 -0.286 0.000 0.833 122 D CB 0.115 40.746 40.800 -0.281 0.000 0.954 122 D HN 0.262 nan 8.370 nan 0.000 0.455 123 A N -0.171 122.594 122.820 -0.092 0.000 2.125 123 A HA -0.118 2.779 4.320 -2.373 0.000 0.219 123 A C 1.918 179.475 177.584 -0.046 0.000 1.156 123 A CA 1.100 53.110 52.037 -0.045 0.000 0.671 123 A CB -0.247 18.737 19.000 -0.027 0.000 0.794 123 A HN 0.221 nan 8.150 nan 0.000 0.459 124 K N -1.469 118.888 120.400 -0.072 0.000 2.374 124 K HA 0.280 3.176 4.320 -2.373 0.000 0.196 124 K C 0.854 177.422 176.600 -0.052 0.000 1.023 124 K CA 0.399 56.651 56.287 -0.058 0.000 1.103 124 K CB 0.194 32.652 32.500 -0.070 0.000 0.848 124 K HN 0.554 nan 8.250 nan 0.000 0.528 125 G N 1.590 110.355 108.800 -0.058 0.000 2.176 125 G HA2 -0.251 2.285 3.960 -2.373 0.000 0.252 125 G HA3 -0.251 2.285 3.960 -2.373 0.000 0.252 125 G C 0.404 175.270 174.900 -0.057 0.000 1.024 125 G CA 0.024 45.098 45.100 -0.043 0.000 0.755 125 G HN 0.299 nan 8.290 nan 0.000 0.507 126 L N -0.721 120.443 121.223 -0.099 0.000 2.693 126 L HA 0.622 3.538 4.340 -2.373 0.000 0.235 126 L C 1.310 178.102 176.870 -0.130 0.000 1.127 126 L CA 0.626 55.406 54.840 -0.100 0.000 0.914 126 L CB 0.364 42.359 42.059 -0.106 0.000 1.193 126 L HN 0.506 nan 8.230 nan 0.000 0.502 127 A N 0.720 123.427 122.820 -0.189 0.000 2.413 127 A HA 0.846 3.742 4.320 -2.373 0.000 0.307 127 A C -0.943 176.582 177.584 -0.098 0.000 1.087 127 A CA -0.404 51.471 52.037 -0.270 0.000 0.750 127 A CB 2.256 20.775 19.000 -0.802 0.000 1.296 127 A HN 0.055 nan 8.150 nan 0.000 0.423 128 M N 1.603 121.253 119.600 0.084 0.000 2.284 128 M HA 0.339 3.395 4.480 -2.373 0.000 0.281 128 M C -2.297 174.287 176.300 0.474 0.000 1.083 128 M CA -0.532 54.920 55.300 0.253 0.000 0.965 128 M CB 1.685 34.357 32.600 0.121 0.000 1.717 128 M HN 0.821 nan 8.290 nan 0.000 0.479 129 Y N 3.191 123.732 120.300 0.401 0.000 2.393 129 Y HA 0.496 3.622 4.550 -2.373 0.000 0.338 129 Y C 0.815 176.724 175.900 0.015 0.000 1.029 129 Y CA 0.445 58.647 58.100 0.171 0.000 1.239 129 Y CB 1.479 39.983 38.460 0.074 0.000 1.170 129 Y HN 0.810 nan 8.280 nan 0.000 0.515 130 G N 4.221 112.898 108.800 -0.206 0.000 3.042 130 G HA2 0.018 2.554 3.960 -2.373 0.000 0.212 130 G HA3 0.018 2.554 3.960 -2.373 0.000 0.212 130 G C 0.603 175.284 174.900 -0.364 0.000 1.166 130 G CA 0.121 45.023 45.100 -0.330 0.000 0.767 130 G HN 0.683 nan 8.290 nan 0.000 0.546 131 Q N -0.948 118.323 119.800 -0.881 0.000 2.059 131 Q HA -0.311 2.606 4.340 -2.373 0.000 0.424 131 Q C 1.869 177.827 176.000 -0.071 0.000 0.752 131 Q CA 2.035 57.390 55.803 -0.747 0.000 0.867 131 Q CB -1.167 27.056 28.738 -0.857 0.000 3.364 131 Q HN 0.406 nan 8.270 nan 0.000 0.848 132 M N -1.170 118.406 119.600 -0.041 0.000 2.749 132 M HA 0.006 3.062 4.480 -2.373 0.000 0.240 132 M C 1.965 177.997 176.300 -0.446 0.000 1.285 132 M CA 1.895 57.038 55.300 -0.261 0.000 1.267 132 M CB -0.365 32.095 32.600 -0.233 0.000 1.184 132 M HN 0.706 nan 8.290 nan 0.000 0.526 133 T N -1.782 112.776 114.554 0.007 0.000 3.069 133 T HA 0.434 3.361 4.350 -2.373 0.000 0.252 133 T C 1.599 176.471 174.700 0.287 0.000 1.053 133 T CA 0.424 62.616 62.100 0.153 0.000 0.964 133 T CB 0.019 69.066 68.868 0.298 0.000 1.005 133 T HN 0.225 nan 8.240 nan 0.000 0.532 134 A N 2.084 125.006 122.820 0.169 0.000 1.855 134 A HA 0.324 3.220 4.320 -2.373 0.000 0.215 134 A C 2.519 180.212 177.584 0.181 0.000 1.191 134 A CA 1.410 53.477 52.037 0.051 0.000 0.613 134 A CB -1.410 17.376 19.000 -0.357 0.000 0.829 134 A HN 0.577 nan 8.150 nan 0.000 0.442 135 G N -0.909 107.986 108.800 0.160 0.000 2.712 135 G HA2 0.114 2.650 3.960 -2.373 0.000 0.212 135 G HA3 0.114 2.650 3.960 -2.373 0.000 0.212 135 G C 1.343 176.220 174.900 -0.039 0.000 1.142 135 G CA 1.286 46.471 45.100 0.141 0.000 0.789 135 G HN 0.876 nan 8.290 nan 0.000 0.535 136 S N -1.614 114.125 115.700 0.065 0.000 2.578 136 S HA 0.159 3.206 4.470 -2.373 0.000 0.231 136 S C 0.305 175.055 174.600 0.250 0.000 0.994 136 S CA -0.379 57.793 58.200 -0.046 0.000 0.956 136 S CB -0.313 62.954 63.200 0.111 0.000 0.870 136 S HN 0.457 nan 8.310 nan 0.000 0.494 137 W N 0.272 121.791 121.300 0.364 0.000 5.820 137 W HA -0.156 3.081 4.660 -2.371 0.000 0.415 137 W C -0.056 176.741 176.519 0.464 0.000 1.627 137 W CA -0.263 57.294 57.345 0.354 0.000 0.991 137 W CB -2.583 27.000 29.460 0.205 0.000 2.842 137 W HN 0.498 nan 8.180 nan 0.000 1.416 138 I N -0.635 120.258 120.570 0.537 0.000 4.014 138 I HA 0.190 2.937 4.170 -2.373 0.000 0.339 138 I C -0.067 176.239 176.117 0.314 0.000 1.357 138 I CA -1.152 60.380 61.300 0.388 0.000 1.070 138 I CB -0.273 37.890 38.000 0.272 0.000 1.809 138 I HN -0.032 nan 8.210 nan 0.000 0.664 139 Y N 3.144 123.580 120.300 0.227 0.000 2.377 139 Y HA 0.412 3.539 4.550 -2.372 0.000 0.330 139 Y C 1.093 177.068 175.900 0.126 0.000 1.108 139 Y CA 0.079 58.278 58.100 0.164 0.000 1.308 139 Y CB 0.773 39.372 38.460 0.233 0.000 1.216 139 Y HN 0.280 nan 8.280 nan 0.000 0.518 140 I N 3.548 123.859 120.570 -0.432 0.000 3.707 140 I HA 0.659 3.405 4.170 -2.373 0.000 0.330 140 I C 0.646 176.470 176.117 -0.488 0.000 1.572 140 I CA 0.121 61.224 61.300 -0.327 0.000 1.104 140 I CB -0.089 37.823 38.000 -0.147 0.000 1.240 140 I HN 0.841 nan 8.210 nan 0.000 0.475 141 G N 2.567 110.709 108.800 -1.096 0.000 2.512 141 G HA2 -0.321 2.216 3.960 -2.373 0.000 0.240 141 G HA3 -0.321 2.216 3.960 -2.373 0.000 0.240 141 G C 0.548 175.218 174.900 -0.383 0.000 1.246 141 G CA 0.241 44.975 45.100 -0.609 0.000 0.919 141 G HN 0.760 nan 8.290 nan 0.000 0.577 142 S N -0.156 115.501 115.700 -0.071 0.000 2.561 142 S HA 0.038 3.084 4.470 -2.373 0.000 0.225 142 S C 1.946 176.578 174.600 0.053 0.000 0.977 142 S CA 1.509 59.738 58.200 0.049 0.000 0.926 142 S CB 0.314 63.616 63.200 0.170 0.000 0.769 142 S HN 0.897 nan 8.310 nan 0.000 0.533 143 Q N 1.584 121.388 119.800 0.006 0.000 2.170 143 Q HA -0.056 2.860 4.340 -2.373 0.000 0.203 143 Q C 2.108 178.147 176.000 0.065 0.000 0.976 143 Q CA 1.566 57.406 55.803 0.062 0.000 0.858 143 Q CB -0.887 27.886 28.738 0.058 0.000 0.907 143 Q HN 0.699 nan 8.270 nan 0.000 0.433 144 G N 1.112 109.913 108.800 0.001 0.000 2.480 144 G HA2 -0.302 2.234 3.960 -2.373 0.000 0.216 144 G HA3 -0.302 2.234 3.960 -2.373 0.000 0.216 144 G C 1.305 176.252 174.900 0.078 0.000 1.200 144 G CA 1.000 46.120 45.100 0.034 0.000 0.782 144 G HN 0.441 nan 8.290 nan 0.000 0.554 145 I N 0.183 120.796 120.570 0.072 0.000 2.406 145 I HA -0.010 2.736 4.170 -2.373 0.000 0.249 145 I C 2.714 178.883 176.117 0.086 0.000 1.122 145 I CA 0.667 62.018 61.300 0.086 0.000 1.431 145 I CB 0.041 38.091 38.000 0.083 0.000 1.087 145 I HN 0.044 nan 8.210 nan 0.000 0.424 146 V N 0.563 120.543 119.914 0.109 0.000 2.270 146 V HA -0.262 2.434 4.120 -2.373 0.000 0.245 146 V C 2.515 178.654 176.094 0.075 0.000 1.043 146 V CA 2.008 64.375 62.300 0.112 0.000 1.014 146 V CB -0.895 30.999 31.823 0.117 0.000 0.645 146 V HN 0.498 nan 8.190 nan 0.000 0.447 147 Q N 0.556 120.374 119.800 0.031 0.000 2.084 147 Q HA -0.159 2.757 4.340 -2.373 0.000 0.202 147 Q C 2.277 178.221 176.000 -0.094 0.000 0.978 147 Q CA 2.275 57.941 55.803 -0.227 0.000 0.844 147 Q CB -0.779 27.825 28.738 -0.223 0.000 0.898 147 Q HN 0.622 nan 8.270 nan 0.000 0.426 148 G N -0.413 108.424 108.800 0.060 0.000 2.418 148 G HA2 -0.228 2.308 3.960 -2.373 0.000 0.217 148 G HA3 -0.228 2.308 3.960 -2.373 0.000 0.217 148 G C 1.430 176.321 174.900 -0.016 0.000 1.158 148 G CA 1.403 46.578 45.100 0.126 0.000 0.771 148 G HN 0.438 nan 8.290 nan 0.000 0.545 149 T N -0.225 114.301 114.554 -0.047 0.000 2.821 149 T HA -0.131 2.796 4.350 -2.373 0.000 0.267 149 T C 1.931 176.434 174.700 -0.329 0.000 1.046 149 T CA 1.159 63.127 62.100 -0.220 0.000 1.139 149 T CB -0.332 68.399 68.868 -0.228 0.000 0.871 149 T HN 0.403 nan 8.240 nan 0.000 0.454 150 Y N 2.197 122.355 120.300 -0.237 0.000 2.128 150 Y HA -0.224 2.902 4.550 -2.373 0.000 0.284 150 Y C 2.505 178.246 175.900 -0.266 0.000 1.154 150 Y CA 1.892 59.897 58.100 -0.159 0.000 1.149 150 Y CB -0.208 38.157 38.460 -0.159 0.000 0.976 150 Y HN 0.094 nan 8.280 nan 0.000 0.505 151 E N -0.266 119.748 120.200 -0.309 0.000 2.110 151 E HA -0.147 2.779 4.350 -2.373 0.000 0.193 151 E C 2.119 178.375 176.600 -0.573 0.000 0.988 151 E CA 2.047 58.090 56.400 -0.596 0.000 0.804 151 E CB -0.450 28.607 29.700 -1.072 0.000 0.745 151 E HN 0.536 nan 8.360 nan 0.000 0.458 152 T N 0.239 114.507 114.554 -0.476 0.000 2.652 152 T HA -0.150 2.777 4.350 -2.373 0.000 0.267 152 T C 1.370 175.814 174.700 -0.427 0.000 1.039 152 T CA 1.504 63.338 62.100 -0.444 0.000 1.153 152 T CB -0.443 68.183 68.868 -0.403 0.000 0.863 152 T HN 0.124 nan 8.240 nan 0.000 0.428 153 F N 1.003 120.782 119.950 -0.286 0.000 2.134 153 F HA -0.022 3.081 4.527 -2.372 0.000 0.299 153 F C 2.549 178.141 175.800 -0.347 0.000 1.097 153 F CA -0.295 57.551 58.000 -0.257 0.000 1.264 153 F CB -1.478 37.434 39.000 -0.146 0.000 1.001 153 F HN -0.029 nan 8.300 nan 0.000 0.479 154 V N -0.038 119.694 119.914 -0.303 0.000 2.295 154 V HA -0.274 2.422 4.120 -2.373 0.000 0.246 154 V C 2.456 178.352 176.094 -0.331 0.000 1.049 154 V CA 2.166 64.252 62.300 -0.356 0.000 1.024 154 V CB -0.545 30.950 31.823 -0.547 0.000 0.648 154 V HN 0.203 nan 8.190 nan 0.000 0.447 155 E N 0.707 120.669 120.200 -0.397 0.000 2.077 155 E HA -0.178 2.749 4.350 -2.373 0.000 0.193 155 E C 2.117 178.494 176.600 -0.371 0.000 0.989 155 E CA 1.677 57.858 56.400 -0.365 0.000 0.800 155 E CB -0.527 28.963 29.700 -0.350 0.000 0.746 155 E HN 0.510 nan 8.360 nan 0.000 0.452 156 A N 0.174 122.633 122.820 -0.600 0.000 1.908 156 A HA -0.080 2.817 4.320 -2.373 0.000 0.218 156 A C 2.485 180.001 177.584 -0.113 0.000 1.181 156 A CA 1.883 53.550 52.037 -0.617 0.000 0.627 156 A CB -1.373 17.163 19.000 -0.772 0.000 0.818 156 A HN 0.419 nan 8.150 nan 0.000 0.445 157 G N -0.713 108.055 108.800 -0.053 0.000 2.422 157 G HA2 -0.225 2.311 3.960 -2.373 0.000 0.218 157 G HA3 -0.225 2.311 3.960 -2.373 0.000 0.218 157 G C 1.767 176.683 174.900 0.027 0.000 1.146 157 G CA 0.871 46.037 45.100 0.110 0.000 0.769 157 G HN 0.569 nan 8.290 nan 0.000 0.547 158 R N -0.195 120.237 120.500 -0.113 0.000 2.092 158 R HA -0.023 2.893 4.340 -2.373 0.000 0.231 158 R C 2.766 178.979 176.300 -0.146 0.000 1.119 158 R CA 1.343 57.357 56.100 -0.144 0.000 0.970 158 R CB -0.253 29.889 30.300 -0.263 0.000 0.864 158 R HN 0.434 nan 8.270 nan 0.000 0.440 159 Q N -1.005 118.665 119.800 -0.217 0.000 2.187 159 Q HA -0.083 2.833 4.340 -2.373 0.000 0.199 159 Q C 1.439 177.155 176.000 -0.473 0.000 0.957 159 Q CA 0.928 56.525 55.803 -0.344 0.000 0.857 159 Q CB 0.299 28.794 28.738 -0.406 0.000 0.929 159 Q HN 0.551 nan 8.270 nan 0.000 0.453 160 H N -2.529 116.399 119.070 -0.237 0.000 2.788 160 H HA 0.091 3.223 4.556 -2.373 0.000 0.262 160 H C 0.238 175.193 175.328 -0.620 0.000 0.968 160 H CA 0.642 56.380 56.048 -0.516 0.000 1.218 160 H CB 0.754 29.998 29.762 -0.863 0.000 1.443 160 H HN 0.187 nan 8.280 nan 0.000 0.478 161 Y N -0.019 120.337 120.300 0.094 0.000 2.715 161 Y HA 0.372 3.498 4.550 -2.373 0.000 0.255 161 Y C 1.391 177.315 175.900 0.041 0.000 1.139 161 Y CA -0.188 57.947 58.100 0.058 0.000 1.151 161 Y CB 0.745 39.232 38.460 0.045 0.000 1.201 161 Y HN 0.243 nan 8.280 nan 0.000 0.556 162 G N 0.367 109.235 108.800 0.115 0.000 2.225 162 G HA2 -0.118 2.418 3.960 -2.373 0.000 0.267 162 G HA3 -0.118 2.418 3.960 -2.373 0.000 0.267 162 G C 1.256 176.231 174.900 0.126 0.000 1.024 162 G CA 0.544 45.699 45.100 0.092 0.000 0.784 162 G HN 1.300 nan 8.290 nan 0.000 0.507 163 G N -1.967 106.920 108.800 0.146 0.000 2.143 163 G HA2 0.067 2.604 3.960 -2.373 0.000 0.248 163 G HA3 0.067 2.604 3.960 -2.373 0.000 0.248 163 G C 0.361 175.435 174.900 0.289 0.000 0.991 163 G CA 1.382 46.646 45.100 0.274 0.000 0.689 163 G HN 2.225 nan 8.290 nan 0.000 0.522 164 S N -0.829 114.976 115.700 0.175 0.000 2.561 164 S HA 0.697 3.743 4.470 -2.373 0.000 0.303 164 S C 0.864 175.508 174.600 0.073 0.000 1.110 164 S CA -0.769 57.494 58.200 0.105 0.000 1.034 164 S CB 1.143 64.382 63.200 0.065 0.000 1.010 164 S HN 0.410 nan 8.310 nan 0.000 0.482 165 L N 3.514 124.756 121.223 0.032 0.000 2.640 165 L HA 0.366 3.282 4.340 -2.373 0.000 0.230 165 L C 1.090 177.927 176.870 -0.055 0.000 1.123 165 L CA -0.129 54.687 54.840 -0.040 0.000 0.900 165 L CB 0.006 42.047 42.059 -0.031 0.000 1.146 165 L HN 0.597 nan 8.230 nan 0.000 0.484 166 K N 1.035 121.422 120.400 -0.022 0.000 2.484 166 K HA 0.108 3.004 4.320 -2.373 0.000 0.280 166 K C 1.186 177.768 176.600 -0.030 0.000 1.013 166 K CA 1.017 57.294 56.287 -0.017 0.000 1.029 166 K CB 0.319 32.817 32.500 -0.004 0.000 0.902 166 K HN 0.234 nan 8.250 nan 0.000 0.481 167 G N 2.632 111.423 108.800 -0.015 0.000 2.184 167 G HA2 -0.260 2.277 3.960 -2.373 0.000 0.264 167 G HA3 -0.260 2.277 3.960 -2.373 0.000 0.264 167 G C -0.239 174.658 174.900 -0.004 0.000 0.975 167 G CA 0.552 45.649 45.100 -0.006 0.000 0.642 167 G HN 0.523 nan 8.290 nan 0.000 0.536 168 K N -0.011 120.362 120.400 -0.045 0.000 2.123 168 K HA 0.782 3.678 4.320 -2.373 0.000 0.248 168 K C 0.149 176.788 176.600 0.065 0.000 0.969 168 K CA -0.703 55.529 56.287 -0.092 0.000 0.882 168 K CB 0.810 33.117 32.500 -0.321 0.000 1.080 168 K HN 0.487 nan 8.250 nan 0.000 0.441 169 W N 0.670 121.845 121.300 -0.208 0.000 3.138 169 W HA 0.596 3.832 4.660 -2.373 0.000 0.331 169 W C -1.551 174.834 176.519 -0.224 0.000 1.166 169 W CA -1.039 56.194 57.345 -0.187 0.000 1.212 169 W CB -0.033 29.346 29.460 -0.135 0.000 1.399 169 W HN 0.081 nan 8.180 nan 0.000 0.514 170 V N 4.543 124.362 119.914 -0.157 0.000 2.472 170 V HA 0.360 3.056 4.120 -2.373 0.000 0.290 170 V C -0.326 175.635 176.094 -0.223 0.000 1.037 170 V CA -0.733 61.355 62.300 -0.354 0.000 0.908 170 V CB 1.350 32.858 31.823 -0.527 0.000 0.985 170 V HN 0.452 nan 8.190 nan 0.000 0.454 171 L N 4.880 125.873 121.223 -0.383 0.000 2.313 171 L HA 0.857 3.773 4.340 -2.373 0.000 0.283 171 L C -0.187 176.569 176.870 -0.190 0.000 1.013 171 L CA 0.890 55.591 54.840 -0.232 0.000 0.816 171 L CB 1.699 43.509 42.059 -0.415 0.000 1.236 171 L HN 0.851 nan 8.230 nan 0.000 0.419 172 T N 3.152 117.665 114.554 -0.068 0.000 2.671 172 T HA 0.916 3.842 4.350 -2.373 0.000 0.300 172 T C -1.757 172.956 174.700 0.020 0.000 1.238 172 T CA 0.050 62.133 62.100 -0.028 0.000 1.020 172 T CB 1.340 70.205 68.868 -0.004 0.000 1.503 172 T HN 0.983 nan 8.240 nan 0.000 0.497 173 A N -0.303 122.545 122.820 0.047 0.000 2.556 173 A HA 0.904 3.801 4.320 -2.373 0.000 0.294 173 A C 0.153 177.768 177.584 0.052 0.000 1.091 173 A CA -0.079 51.987 52.037 0.049 0.000 0.704 173 A CB 1.111 20.147 19.000 0.061 0.000 1.300 173 A HN 2.252 nan 8.150 nan 0.000 0.406 174 G N -0.601 108.221 108.800 0.037 0.000 3.436 174 G HA2 0.119 2.655 3.960 -2.373 0.000 0.685 174 G HA3 0.119 2.655 3.960 -2.373 0.000 0.685 174 G C -0.640 174.280 174.900 0.032 0.000 1.039 174 G CA -0.188 44.935 45.100 0.038 0.000 0.879 174 G HN 1.282 nan 8.290 nan 0.000 0.478 175 L N 2.826 124.065 121.223 0.026 0.000 3.141 175 L HA 0.443 3.359 4.340 -2.373 0.000 0.263 175 L C 1.578 178.466 176.870 0.031 0.000 1.312 175 L CA 0.113 54.978 54.840 0.041 0.000 1.012 175 L CB 0.165 42.254 42.059 0.050 0.000 1.408 175 L HN 0.771 nan 8.230 nan 0.000 0.559 176 G N -0.695 108.119 108.800 0.024 0.000 2.582 176 G HA2 0.318 2.854 3.960 -2.373 0.000 0.232 176 G HA3 0.318 2.854 3.960 -2.373 0.000 0.232 176 G C 1.080 175.990 174.900 0.016 0.000 1.458 176 G CA 0.307 45.414 45.100 0.011 0.000 1.062 176 G HN 0.246 nan 8.290 nan 0.000 0.566 177 G N -0.567 108.244 108.800 0.019 0.000 2.440 177 G HA2 -0.192 2.345 3.960 -2.373 0.000 0.218 177 G HA3 -0.192 2.345 3.960 -2.373 0.000 0.218 177 G C 1.679 176.607 174.900 0.046 0.000 1.154 177 G CA 1.357 46.473 45.100 0.027 0.000 0.767 177 G HN 0.404 nan 8.290 nan 0.000 0.552 178 M N -0.190 119.437 119.600 0.045 0.000 2.657 178 M HA 0.218 3.274 4.480 -2.373 0.000 0.262 178 M C 2.789 179.082 176.300 -0.012 0.000 1.213 178 M CA 0.734 56.050 55.300 0.027 0.000 1.182 178 M CB 0.247 32.863 32.600 0.026 0.000 1.303 178 M HN 0.203 nan 8.290 nan 0.000 0.501 179 G N 0.558 109.352 108.800 -0.010 0.000 2.450 179 G HA2 -0.151 2.386 3.960 -2.373 0.000 0.220 179 G HA3 -0.151 2.386 3.960 -2.373 0.000 0.220 179 G C 1.510 176.429 174.900 0.031 0.000 1.130 179 G CA 1.008 46.094 45.100 -0.023 0.000 0.760 179 G HN 0.556 nan 8.290 nan 0.000 0.557 180 G N 0.956 109.793 108.800 0.062 0.000 2.462 180 G HA2 0.028 2.565 3.960 -2.373 0.000 0.220 180 G HA3 0.028 2.565 3.960 -2.373 0.000 0.220 180 G C 1.884 176.923 174.900 0.232 0.000 1.121 180 G CA 1.351 46.519 45.100 0.114 0.000 0.758 180 G HN 0.643 nan 8.290 nan 0.000 0.559 181 A N 0.132 123.073 122.820 0.202 0.000 2.066 181 A HA 0.030 2.926 4.320 -2.373 0.000 0.218 181 A C 2.267 179.962 177.584 0.184 0.000 1.157 181 A CA 1.566 53.761 52.037 0.263 0.000 0.670 181 A CB -0.254 18.844 19.000 0.162 0.000 0.804 181 A HN 0.471 nan 8.150 nan 0.000 0.453 182 Q N -0.103 119.778 119.800 0.135 0.000 2.045 182 Q HA -0.158 2.758 4.340 -2.373 0.000 0.206 182 Q C -0.463 175.697 176.000 0.266 0.000 0.991 182 Q CA 1.965 57.901 55.803 0.223 0.000 0.851 182 Q CB -1.103 27.738 28.738 0.170 0.000 0.911 182 Q HN 0.560 nan 8.270 nan 0.000 0.418 183 P HA -0.179 nan 4.420 nan 0.000 0.217 183 P C 1.445 178.802 177.300 0.095 0.000 1.150 183 P CA 1.061 64.230 63.100 0.115 0.000 0.832 183 P CB -0.007 31.755 31.700 0.104 0.000 0.787 184 L N 0.193 121.464 121.223 0.079 0.000 2.056 184 L HA -0.001 2.915 4.340 -2.373 0.000 0.207 184 L C 2.549 179.475 176.870 0.093 0.000 1.078 184 L CA 1.988 56.812 54.840 -0.026 0.000 0.749 184 L CB -1.615 40.254 42.059 -0.317 0.000 0.901 184 L HN -0.100 nan 8.230 nan 0.000 0.433 185 A N -0.479 122.458 122.820 0.194 0.000 1.902 185 A HA -0.105 2.791 4.320 -2.373 0.000 0.217 185 A C 2.447 180.293 177.584 0.436 0.000 1.181 185 A CA 1.816 54.057 52.037 0.340 0.000 0.623 185 A CB -1.153 18.018 19.000 0.284 0.000 0.818 185 A HN 0.567 nan 8.150 nan 0.000 0.443 186 A N -0.968 122.066 122.820 0.356 0.000 1.877 186 A HA -0.092 2.804 4.320 -2.373 0.000 0.216 186 A C 2.320 179.945 177.584 0.069 0.000 1.186 186 A CA 2.334 54.412 52.037 0.068 0.000 0.620 186 A CB -1.347 17.538 19.000 -0.191 0.000 0.822 186 A HN 0.427 nan 8.150 nan 0.000 0.443 187 T N 0.737 115.337 114.554 0.077 0.000 2.684 187 T HA -0.131 2.795 4.350 -2.373 0.000 0.267 187 T C 1.812 176.576 174.700 0.106 0.000 1.036 187 T CA 1.612 63.742 62.100 0.051 0.000 1.148 187 T CB -0.449 68.427 68.868 0.012 0.000 0.863 187 T HN 0.377 nan 8.240 nan 0.000 0.436 188 L N 0.743 122.081 121.223 0.191 0.000 2.083 188 L HA -0.033 2.883 4.340 -2.373 0.000 0.209 188 L C 2.954 180.109 176.870 0.475 0.000 1.083 188 L CA 1.126 56.147 54.840 0.301 0.000 0.752 188 L CB -0.704 41.563 42.059 0.346 0.000 0.899 188 L HN 0.242 nan 8.230 nan 0.000 0.433 189 A N -0.354 122.699 122.820 0.388 0.000 2.172 189 A HA 0.140 3.036 4.320 -2.373 0.000 0.216 189 A C 1.831 179.470 177.584 0.092 0.000 1.154 189 A CA 1.114 53.219 52.037 0.115 0.000 0.701 189 A CB -0.496 18.453 19.000 -0.085 0.000 0.789 189 A HN 0.590 nan 8.150 nan 0.000 0.465 190 G N -2.882 105.976 108.800 0.097 0.000 2.179 190 G HA2 0.169 2.705 3.960 -2.373 0.000 0.220 190 G HA3 0.169 2.705 3.960 -2.373 0.000 0.220 190 G C 0.290 175.195 174.900 0.009 0.000 0.990 190 G CA 0.232 45.362 45.100 0.050 0.000 0.646 190 G HN 1.555 nan 8.290 nan 0.000 0.517 191 A N -0.791 122.021 122.820 -0.012 0.000 2.294 191 A HA 0.761 3.657 4.320 -2.373 0.000 0.330 191 A C 0.857 178.433 177.584 -0.014 0.000 1.133 191 A CA 0.213 52.227 52.037 -0.038 0.000 0.836 191 A CB 0.935 19.868 19.000 -0.113 0.000 1.190 191 A HN 0.957 nan 8.150 nan 0.000 0.492 192 C N 0.979 120.297 119.300 0.030 0.000 2.563 192 C HA 0.717 3.753 4.460 -2.373 0.000 0.358 192 C C 0.958 175.993 174.990 0.076 0.000 1.336 192 C CA 0.187 59.239 59.018 0.057 0.000 2.454 192 C CB 0.433 28.226 27.740 0.089 0.000 2.448 192 C HN 1.019 nan 8.230 nan 0.000 0.670 193 S N 0.766 116.511 115.700 0.075 0.000 2.541 193 S HA 0.665 3.711 4.470 -2.373 0.000 0.271 193 S C -1.384 173.283 174.600 0.111 0.000 1.133 193 S CA -0.675 57.577 58.200 0.087 0.000 0.876 193 S CB 1.256 64.447 63.200 -0.015 0.000 1.105 193 S HN 0.589 nan 8.310 nan 0.000 0.470 194 L N 2.518 123.847 121.223 0.177 0.000 2.298 194 L HA 0.582 3.499 4.340 -2.373 0.000 0.284 194 L C -1.170 175.752 176.870 0.087 0.000 1.013 194 L CA -0.395 54.523 54.840 0.131 0.000 0.824 194 L CB 0.891 43.073 42.059 0.204 0.000 1.221 194 L HN 0.829 nan 8.230 nan 0.000 0.418 195 N N 6.987 125.723 118.700 0.059 0.000 2.518 195 N HA 0.355 3.672 4.740 -2.373 0.000 0.254 195 N C -1.012 174.521 175.510 0.039 0.000 0.979 195 N CA -0.578 52.500 53.050 0.048 0.000 0.930 195 N CB 1.924 40.444 38.487 0.053 0.000 1.152 195 N HN 0.404 nan 8.380 nan 0.000 0.505 196 I N 1.722 122.308 120.570 0.027 0.000 2.371 196 I HA 0.253 3.000 4.170 -2.373 0.000 0.290 196 I C 0.518 176.637 176.117 0.003 0.000 1.028 196 I CA -0.196 61.108 61.300 0.007 0.000 1.345 196 I CB 0.623 38.610 38.000 -0.021 0.000 1.407 196 I HN 0.500 nan 8.210 nan 0.000 0.501 197 E N 3.503 123.708 120.200 0.009 0.000 2.290 197 E HA 0.329 3.255 4.350 -2.373 0.000 0.274 197 E C 0.164 176.772 176.600 0.013 0.000 0.889 197 E CA -0.533 55.870 56.400 0.005 0.000 0.760 197 E CB 1.671 31.384 29.700 0.023 0.000 1.206 197 E HN 0.489 nan 8.360 nan 0.000 0.419 198 S N 3.214 118.880 115.700 -0.056 0.000 2.496 198 S HA 0.057 3.103 4.470 -2.373 0.000 0.224 198 S C 0.301 174.903 174.600 0.003 0.000 0.996 198 S CA 0.080 58.238 58.200 -0.070 0.000 0.927 198 S CB -0.111 63.098 63.200 0.015 0.000 0.774 198 S HN 0.519 nan 8.310 nan 0.000 0.524 199 Q N 1.045 120.760 119.800 -0.143 0.000 2.347 199 Q HA 0.348 3.264 4.340 -2.373 0.000 0.262 199 Q C 0.296 176.230 176.000 -0.109 0.000 0.980 199 Q CA -0.544 55.125 55.803 -0.223 0.000 0.867 199 Q CB 1.600 30.018 28.738 -0.534 0.000 1.242 199 Q HN 0.189 nan 8.270 nan 0.000 0.453 200 Q N 1.758 121.431 119.800 -0.211 0.000 2.181 200 Q HA -0.202 2.714 4.340 -2.373 0.000 0.205 200 Q C 1.836 177.736 176.000 -0.166 0.000 0.980 200 Q CA 2.457 58.049 55.803 -0.351 0.000 0.862 200 Q CB -0.013 28.414 28.738 -0.517 0.000 0.905 200 Q HN 0.757 nan 8.270 nan 0.000 0.429 201 S N -0.436 115.183 115.700 -0.136 0.000 2.382 201 S HA -0.157 2.889 4.470 -2.373 0.000 0.228 201 S C 1.866 176.445 174.600 -0.035 0.000 1.027 201 S CA 0.825 58.978 58.200 -0.078 0.000 0.991 201 S CB -0.313 62.834 63.200 -0.088 0.000 0.823 201 S HN 0.352 nan 8.310 nan 0.000 0.469 202 R N 0.943 121.402 120.500 -0.068 0.000 2.092 202 R HA 0.186 3.102 4.340 -2.373 0.000 0.231 202 R C 2.349 178.683 176.300 0.055 0.000 1.119 202 R CA 1.252 57.343 56.100 -0.015 0.000 0.970 202 R CB -0.803 29.453 30.300 -0.073 0.000 0.864 202 R HN 0.517 nan 8.270 nan 0.000 0.440 203 I N 1.216 121.791 120.570 0.010 0.000 2.179 203 I HA -0.270 2.476 4.170 -2.373 0.000 0.242 203 I C 1.749 177.880 176.117 0.023 0.000 1.088 203 I CA 1.328 62.639 61.300 0.018 0.000 1.357 203 I CB -0.418 37.576 38.000 -0.010 0.000 1.051 203 I HN 0.030 nan 8.210 nan 0.000 0.409 204 D N 0.842 121.247 120.400 0.009 0.000 2.116 204 D HA -0.255 2.961 4.640 -2.373 0.000 0.193 204 D C 1.937 178.266 176.300 0.049 0.000 0.998 204 D CA 1.476 55.485 54.000 0.015 0.000 0.836 204 D CB -0.541 40.264 40.800 0.008 0.000 0.951 204 D HN 0.258 nan 8.370 nan 0.000 0.449 205 F N 1.754 121.673 119.950 -0.053 0.000 2.095 205 F HA -0.201 2.902 4.527 -2.372 0.000 0.298 205 F C 2.168 177.936 175.800 -0.053 0.000 1.104 205 F CA 1.441 59.408 58.000 -0.056 0.000 1.232 205 F CB 0.105 39.062 39.000 -0.070 0.000 0.987 205 F HN -0.187 nan 8.300 nan 0.000 0.475 206 R N 0.366 120.850 120.500 -0.026 0.000 2.148 206 R HA -0.010 2.907 4.340 -2.373 0.000 0.223 206 R C 2.342 178.607 176.300 -0.058 0.000 1.088 206 R CA 0.950 57.001 56.100 -0.082 0.000 0.985 206 R CB -1.141 29.198 30.300 0.066 0.000 0.880 206 R HN 0.400 nan 8.270 nan 0.000 0.451 207 L N 0.588 121.785 121.223 -0.043 0.000 2.093 207 L HA -0.134 2.782 4.340 -2.373 0.000 0.208 207 L C 2.197 179.026 176.870 -0.069 0.000 1.085 207 L CA 1.350 56.168 54.840 -0.036 0.000 0.755 207 L CB -0.287 41.757 42.059 -0.024 0.000 0.904 207 L HN 0.195 nan 8.230 nan 0.000 0.435 208 E N -0.469 119.659 120.200 -0.120 0.000 2.072 208 E HA -0.187 2.739 4.350 -2.373 0.000 0.191 208 E C 1.901 178.402 176.600 -0.166 0.000 0.985 208 E CA 1.803 58.120 56.400 -0.137 0.000 0.801 208 E CB -0.045 29.562 29.700 -0.155 0.000 0.750 208 E HN 0.529 nan 8.360 nan 0.000 0.452 209 T N -1.923 112.470 114.554 -0.268 0.000 3.148 209 T HA 0.113 3.039 4.350 -2.373 0.000 0.253 209 T C 0.831 175.554 174.700 0.038 0.000 1.134 209 T CA -0.117 61.870 62.100 -0.189 0.000 1.051 209 T CB 0.064 68.673 68.868 -0.431 0.000 0.959 209 T HN 0.097 nan 8.240 nan 0.000 0.525 210 R N -1.074 119.435 120.500 0.014 0.000 3.878 210 R HA -0.194 2.723 4.340 -2.373 0.000 0.330 210 R C -0.008 176.341 176.300 0.081 0.000 1.186 210 R CA 0.765 56.883 56.100 0.030 0.000 0.885 210 R CB -2.265 28.027 30.300 -0.013 0.000 1.377 210 R HN 0.472 nan 8.270 nan 0.000 0.523 211 Y N -0.417 119.837 120.300 -0.075 0.000 2.314 211 Y HA 0.016 3.142 4.550 -2.373 0.000 0.293 211 Y C 1.418 177.310 175.900 -0.014 0.000 1.129 211 Y CA 1.180 59.261 58.100 -0.031 0.000 1.201 211 Y CB 0.700 39.149 38.460 -0.019 0.000 0.999 211 Y HN -0.114 nan 8.280 nan 0.000 0.541 212 V N 0.836 120.825 119.914 0.125 0.000 2.459 212 V HA 0.134 2.830 4.120 -2.373 0.000 0.295 212 V C 0.241 176.345 176.094 0.016 0.000 1.029 212 V CA -0.963 61.372 62.300 0.059 0.000 0.874 212 V CB 1.818 33.676 31.823 0.059 0.000 0.985 212 V HN 0.117 nan 8.190 nan 0.000 0.438 213 D N 2.635 123.029 120.400 -0.010 0.000 2.103 213 D HA -0.004 3.213 4.640 -2.373 0.000 0.199 213 D C 0.694 176.977 176.300 -0.028 0.000 0.978 213 D CA 1.186 55.162 54.000 -0.039 0.000 0.829 213 D CB 0.619 41.369 40.800 -0.083 0.000 0.981 213 D HN 0.879 nan 8.370 nan 0.000 0.464 214 E N -0.469 119.725 120.200 -0.010 0.000 2.430 214 E HA 0.391 3.317 4.350 -2.373 0.000 0.279 214 E C -1.148 175.464 176.600 0.019 0.000 1.003 214 E CA -0.893 55.511 56.400 0.006 0.000 0.801 214 E CB 1.780 31.492 29.700 0.019 0.000 1.313 214 E HN -0.184 nan 8.360 nan 0.000 0.459 215 Q N 1.099 120.909 119.800 0.017 0.000 2.331 215 Q HA 0.589 3.505 4.340 -2.373 0.000 0.267 215 Q C -1.128 174.884 176.000 0.020 0.000 1.006 215 Q CA -0.631 55.184 55.803 0.020 0.000 0.818 215 Q CB 1.777 30.521 28.738 0.011 0.000 1.276 215 Q HN 0.680 nan 8.270 nan 0.000 0.450 216 A N 2.204 125.036 122.820 0.020 0.000 2.366 216 A HA 0.240 3.136 4.320 -2.373 0.000 0.249 216 A C 1.023 178.614 177.584 0.011 0.000 1.084 216 A CA 0.295 52.336 52.037 0.007 0.000 0.794 216 A CB 0.460 19.455 19.000 -0.009 0.000 1.034 216 A HN 0.959 nan 8.150 nan 0.000 0.491 217 T N -1.799 112.756 114.554 0.002 0.000 2.978 217 T HA 0.236 3.162 4.350 -2.373 0.000 0.262 217 T C 0.189 174.897 174.700 0.013 0.000 1.063 217 T CA 1.106 63.211 62.100 0.008 0.000 1.140 217 T CB -0.526 68.342 68.868 -0.000 0.000 0.886 217 T HN 0.892 nan 8.240 nan 0.000 0.470 218 D N -1.117 119.283 120.400 0.000 0.000 2.713 218 D HA 0.337 3.554 4.640 -2.373 0.000 0.306 218 D C 0.542 176.833 176.300 -0.015 0.000 1.299 218 D CA -0.885 53.113 54.000 -0.002 0.000 0.823 218 D CB 0.514 41.311 40.800 -0.004 0.000 1.353 218 D HN -0.095 nan 8.370 nan 0.000 0.447 219 L N 0.469 121.683 121.223 -0.015 0.000 2.042 219 L HA -0.063 2.854 4.340 -2.373 0.000 0.210 219 L C 1.185 178.031 176.870 -0.039 0.000 1.076 219 L CA 2.133 56.961 54.840 -0.021 0.000 0.749 219 L CB -0.902 41.152 42.059 -0.009 0.000 0.893 219 L HN 0.473 nan 8.230 nan 0.000 0.432 220 D N -0.588 119.791 120.400 -0.037 0.000 2.123 220 D HA -0.223 2.993 4.640 -2.373 0.000 0.196 220 D C 1.820 178.076 176.300 -0.072 0.000 0.992 220 D CA 1.577 55.547 54.000 -0.049 0.000 0.833 220 D CB -0.211 40.566 40.800 -0.038 0.000 0.954 220 D HN 0.500 nan 8.370 nan 0.000 0.455 221 D N 0.469 120.831 120.400 -0.063 0.000 2.097 221 D HA -0.098 3.118 4.640 -2.373 0.000 0.195 221 D C 1.978 178.214 176.300 -0.107 0.000 0.989 221 D CA 1.708 55.662 54.000 -0.077 0.000 0.827 221 D CB -0.126 40.644 40.800 -0.050 0.000 0.966 221 D HN 0.077 nan 8.370 nan 0.000 0.456 222 A N 0.019 122.783 122.820 -0.093 0.000 1.892 222 A HA -0.151 2.745 4.320 -2.373 0.000 0.218 222 A C 2.129 179.584 177.584 -0.214 0.000 1.188 222 A CA 1.299 53.264 52.037 -0.120 0.000 0.631 222 A CB -0.841 18.110 19.000 -0.080 0.000 0.822 222 A HN 0.341 nan 8.150 nan 0.000 0.447 223 L N -0.509 120.592 121.223 -0.203 0.000 2.093 223 L HA -0.094 2.822 4.340 -2.373 0.000 0.208 223 L C 2.595 179.299 176.870 -0.277 0.000 1.085 223 L CA 1.230 55.909 54.840 -0.267 0.000 0.755 223 L CB -0.914 41.046 42.059 -0.164 0.000 0.904 223 L HN 0.214 nan 8.230 nan 0.000 0.435 224 V N -0.544 119.238 119.914 -0.220 0.000 2.343 224 V HA -0.273 2.423 4.120 -2.373 0.000 0.247 224 V C 2.652 178.545 176.094 -0.336 0.000 1.051 224 V CA 1.541 63.704 62.300 -0.228 0.000 1.036 224 V CB -0.509 31.212 31.823 -0.170 0.000 0.654 224 V HN 0.418 nan 8.190 nan 0.000 0.451 225 R N -0.426 119.846 120.500 -0.379 0.000 2.073 225 R HA -0.097 2.820 4.340 -2.373 0.000 0.234 225 R C 2.297 178.172 176.300 -0.709 0.000 1.134 225 R CA 1.444 57.161 56.100 -0.638 0.000 0.952 225 R CB -0.412 29.649 30.300 -0.399 0.000 0.850 225 R HN 0.344 nan 8.270 nan 0.000 0.433 226 I N 1.036 121.322 120.570 -0.474 0.000 2.163 226 I HA -0.262 2.484 4.170 -2.373 0.000 0.243 226 I C 2.584 178.422 176.117 -0.465 0.000 1.085 226 I CA 1.528 62.522 61.300 -0.509 0.000 1.347 226 I CB -1.246 36.210 38.000 -0.906 0.000 1.044 226 I HN 0.187 nan 8.210 nan 0.000 0.408 227 A N 0.772 123.339 122.820 -0.423 0.000 1.908 227 A HA -0.280 2.616 4.320 -2.373 0.000 0.218 227 A C 2.466 179.914 177.584 -0.226 0.000 1.181 227 A CA 2.219 54.087 52.037 -0.281 0.000 0.627 227 A CB -0.613 18.256 19.000 -0.219 0.000 0.818 227 A HN 0.449 nan 8.150 nan 0.000 0.445 228 K N -1.694 118.523 120.400 -0.304 0.000 2.002 228 K HA -0.185 2.711 4.320 -2.373 0.000 0.209 228 K C 1.862 178.375 176.600 -0.146 0.000 1.048 228 K CA 1.789 57.916 56.287 -0.267 0.000 0.930 228 K CB -0.410 31.854 32.500 -0.393 0.000 0.714 228 K HN 0.439 nan 8.250 nan 0.000 0.438 229 Y N 1.442 121.677 120.300 -0.110 0.000 2.242 229 Y HA -0.155 2.971 4.550 -2.373 0.000 0.291 229 Y C 2.779 178.632 175.900 -0.078 0.000 1.137 229 Y CA 1.551 59.597 58.100 -0.089 0.000 1.181 229 Y CB -1.259 37.145 38.460 -0.095 0.000 0.989 229 Y HN 0.364 nan 8.280 nan 0.000 0.527 230 T N -2.380 112.198 114.554 0.041 0.000 2.777 230 T HA -0.087 2.839 4.350 -2.373 0.000 0.266 230 T C 2.221 176.925 174.700 0.006 0.000 1.040 230 T CA 1.034 63.144 62.100 0.016 0.000 1.141 230 T CB -0.826 68.039 68.868 -0.006 0.000 0.868 230 T HN 0.238 nan 8.240 nan 0.000 0.444 231 A N 1.925 124.735 122.820 -0.017 0.000 1.972 231 A HA -0.073 2.824 4.320 -2.373 0.000 0.219 231 A C 2.125 179.709 177.584 0.001 0.000 1.169 231 A CA 1.481 53.508 52.037 -0.015 0.000 0.635 231 A CB -0.611 18.368 19.000 -0.035 0.000 0.810 231 A HN 0.697 nan 8.150 nan 0.000 0.446 232 E N -1.582 118.629 120.200 0.019 0.000 2.479 232 E HA 0.277 3.203 4.350 -2.373 0.000 0.193 232 E C 1.039 177.652 176.600 0.023 0.000 1.049 232 E CA 0.212 56.629 56.400 0.027 0.000 0.870 232 E CB -0.050 29.683 29.700 0.055 0.000 0.944 232 E HN 0.706 nan 8.360 nan 0.000 0.492 233 G N 2.268 111.080 108.800 0.021 0.000 2.153 233 G HA2 -0.330 2.207 3.960 -2.373 0.000 0.252 233 G HA3 -0.330 2.207 3.960 -2.373 0.000 0.252 233 G C 0.045 174.950 174.900 0.007 0.000 0.994 233 G CA 0.375 45.481 45.100 0.011 0.000 0.698 233 G HN 0.161 nan 8.290 nan 0.000 0.521 234 K N -0.082 120.328 120.400 0.016 0.000 2.098 234 K HA 0.667 3.564 4.320 -2.373 0.000 0.257 234 K C 0.359 176.945 176.600 -0.024 0.000 0.999 234 K CA 0.122 56.397 56.287 -0.019 0.000 0.924 234 K CB 1.379 33.848 32.500 -0.051 0.000 1.028 234 K HN 0.512 nan 8.250 nan 0.000 0.466 235 A N 3.430 126.218 122.820 -0.053 0.000 2.508 235 A HA 0.444 3.340 4.320 -2.373 0.000 0.336 235 A C -0.634 176.897 177.584 -0.089 0.000 1.360 235 A CA -0.557 51.454 52.037 -0.043 0.000 0.841 235 A CB -0.273 18.717 19.000 -0.016 0.000 1.136 235 A HN 0.628 nan 8.150 nan 0.000 0.489 236 I N 2.049 122.551 120.570 -0.114 0.000 2.498 236 I HA 0.322 3.068 4.170 -2.373 0.000 0.290 236 I C 0.328 176.401 176.117 -0.074 0.000 1.032 236 I CA -0.509 60.681 61.300 -0.184 0.000 1.073 236 I CB 2.612 40.302 38.000 -0.517 0.000 1.251 236 I HN 0.608 nan 8.210 nan 0.000 0.426 237 S N 6.715 122.382 115.700 -0.055 0.000 2.480 237 S HA 0.759 3.805 4.470 -2.373 0.000 0.286 237 S C -0.650 173.956 174.600 0.011 0.000 1.180 237 S CA -0.603 57.595 58.200 -0.003 0.000 1.075 237 S CB 1.107 64.313 63.200 0.011 0.000 0.996 237 S HN 0.432 nan 8.310 nan 0.000 0.487 238 I N 2.186 122.778 120.570 0.036 0.000 2.465 238 I HA 0.581 3.327 4.170 -2.373 0.000 0.291 238 I C 0.135 176.275 176.117 0.039 0.000 1.014 238 I CA -0.873 60.452 61.300 0.042 0.000 1.093 238 I CB 1.939 39.968 38.000 0.049 0.000 1.267 238 I HN 0.867 nan 8.210 nan 0.000 0.431 239 A N 6.378 129.220 122.820 0.037 0.000 2.310 239 A HA 0.796 3.692 4.320 -2.373 0.000 0.299 239 A C -1.075 176.534 177.584 0.042 0.000 1.147 239 A CA -0.382 51.680 52.037 0.041 0.000 0.818 239 A CB 1.052 20.076 19.000 0.041 0.000 1.096 239 A HN 0.585 nan 8.150 nan 0.000 0.495 240 L N 2.070 123.321 121.223 0.047 0.000 2.376 240 L HA 0.430 3.346 4.340 -2.373 0.000 0.275 240 L C -0.539 176.379 176.870 0.081 0.000 0.987 240 L CA -0.440 54.430 54.840 0.051 0.000 0.828 240 L CB 1.441 43.515 42.059 0.024 0.000 1.249 240 L HN 0.810 nan 8.230 nan 0.000 0.409 241 H N 4.183 123.246 119.070 -0.011 0.000 2.878 241 H HA 0.666 3.798 4.556 -2.373 0.000 0.290 241 H C 0.095 175.416 175.328 -0.012 0.000 1.065 241 H CA 0.774 56.812 56.048 -0.016 0.000 1.477 241 H CB 0.247 30.002 29.762 -0.013 0.000 1.484 241 H HN 0.868 nan 8.280 nan 0.000 0.504 242 G N 3.720 112.336 108.800 -0.306 0.000 2.325 242 G HA2 0.042 2.578 3.960 -2.373 0.000 0.295 242 G HA3 0.042 2.578 3.960 -2.373 0.000 0.295 242 G C -1.571 173.213 174.900 -0.193 0.000 1.274 242 G CA -0.990 43.953 45.100 -0.262 0.000 0.857 242 G HN 0.666 nan 8.290 nan 0.000 0.499 243 N N 0.333 118.940 118.700 -0.155 0.000 2.443 243 N HA 0.527 3.844 4.740 -2.373 0.000 0.269 243 N C 1.185 176.586 175.510 -0.182 0.000 0.985 243 N CA 0.256 53.206 53.050 -0.167 0.000 0.921 243 N CB 1.872 40.270 38.487 -0.149 0.000 1.195 243 N HN 0.800 nan 8.380 nan 0.000 0.492 244 A N 3.639 126.320 122.820 -0.232 0.000 1.948 244 A HA -0.138 2.758 4.320 -2.373 0.000 0.220 244 A C 1.877 179.183 177.584 -0.463 0.000 1.177 244 A CA 2.127 53.970 52.037 -0.323 0.000 0.636 244 A CB -0.610 18.187 19.000 -0.339 0.000 0.815 244 A HN 0.730 nan 8.150 nan 0.000 0.449 245 A N -0.807 121.789 122.820 -0.373 0.000 2.168 245 A HA -0.019 2.877 4.320 -2.373 0.000 0.215 245 A C 1.815 179.330 177.584 -0.114 0.000 1.152 245 A CA 1.365 53.281 52.037 -0.201 0.000 0.716 245 A CB -0.281 18.727 19.000 0.014 0.000 0.794 245 A HN 0.680 nan 8.150 nan 0.000 0.465 246 E N -0.663 119.466 120.200 -0.117 0.000 2.127 246 E HA 0.086 3.012 4.350 -2.373 0.000 0.191 246 E C 1.651 178.215 176.600 -0.059 0.000 0.964 246 E CA 0.501 56.859 56.400 -0.070 0.000 0.832 246 E CB -0.081 29.583 29.700 -0.061 0.000 0.790 246 E HN 0.615 nan 8.360 nan 0.000 0.465 247 I N 0.849 121.375 120.570 -0.072 0.000 2.233 247 I HA -0.225 2.521 4.170 -2.373 0.000 0.243 247 I C 2.075 178.201 176.117 0.014 0.000 1.093 247 I CA 0.676 61.959 61.300 -0.028 0.000 1.380 247 I CB -0.011 37.972 38.000 -0.028 0.000 1.067 247 I HN 0.054 nan 8.210 nan 0.000 0.413 248 L N 0.807 122.027 121.223 -0.004 0.000 2.012 248 L HA -0.152 2.765 4.340 -2.373 0.000 0.210 248 L C -0.392 176.505 176.870 0.046 0.000 1.073 248 L CA 2.422 57.331 54.840 0.115 0.000 0.748 248 L CB -1.913 40.228 42.059 0.137 0.000 0.891 248 L HN 0.139 nan 8.230 nan 0.000 0.431 249 P HA -0.182 nan 4.420 nan 0.000 0.218 249 P C 1.426 178.698 177.300 -0.047 0.000 1.148 249 P CA 1.045 64.106 63.100 -0.065 0.000 0.822 249 P CB 0.165 31.839 31.700 -0.043 0.000 0.784 250 E N -0.127 120.066 120.200 -0.011 0.000 2.072 250 E HA -0.123 2.803 4.350 -2.373 0.000 0.191 250 E C 1.854 178.473 176.600 0.032 0.000 0.985 250 E CA 1.060 57.462 56.400 0.004 0.000 0.801 250 E CB -1.165 28.540 29.700 0.008 0.000 0.750 250 E HN 0.118 nan 8.360 nan 0.000 0.452 251 L N -0.420 120.856 121.223 0.088 0.000 2.083 251 L HA -0.153 2.763 4.340 -2.373 0.000 0.209 251 L C 2.406 179.349 176.870 0.122 0.000 1.083 251 L CA 0.860 55.808 54.840 0.179 0.000 0.752 251 L CB -0.474 41.801 42.059 0.359 0.000 0.899 251 L HN 0.094 nan 8.230 nan 0.000 0.433 252 V N 0.167 120.040 119.914 -0.069 0.000 2.295 252 V HA -0.322 2.374 4.120 -2.373 0.000 0.246 252 V C 2.588 178.621 176.094 -0.102 0.000 1.049 252 V CA 1.983 64.132 62.300 -0.252 0.000 1.024 252 V CB -0.557 30.985 31.823 -0.468 0.000 0.648 252 V HN 0.454 nan 8.190 nan 0.000 0.447 253 K N 0.142 120.502 120.400 -0.066 0.000 2.103 253 K HA -0.195 2.701 4.320 -2.373 0.000 0.207 253 K C 2.251 178.847 176.600 -0.008 0.000 1.048 253 K CA 1.575 57.842 56.287 -0.035 0.000 0.930 253 K CB -0.123 32.361 32.500 -0.025 0.000 0.716 253 K HN 0.355 nan 8.250 nan 0.000 0.444 254 R N -0.949 119.559 120.500 0.014 0.000 2.307 254 R HA -0.000 2.916 4.340 -2.373 0.000 0.199 254 R C 1.025 177.351 176.300 0.043 0.000 1.000 254 R CA 0.630 56.748 56.100 0.030 0.000 1.023 254 R CB 0.106 30.433 30.300 0.045 0.000 0.908 254 R HN 0.534 nan 8.270 nan 0.000 0.473 255 G N 0.825 109.652 108.800 0.046 0.000 2.143 255 G HA2 -0.251 2.285 3.960 -2.373 0.000 0.248 255 G HA3 -0.251 2.285 3.960 -2.373 0.000 0.248 255 G C 0.168 175.136 174.900 0.114 0.000 0.991 255 G CA 0.069 45.205 45.100 0.060 0.000 0.689 255 G HN 0.150 nan 8.290 nan 0.000 0.522 256 V N 0.867 120.880 119.914 0.165 0.000 2.572 256 V HA 0.335 3.031 4.120 -2.373 0.000 0.291 256 V C 1.051 177.320 176.094 0.292 0.000 1.039 256 V CA 0.274 62.716 62.300 0.236 0.000 1.055 256 V CB 0.979 32.969 31.823 0.278 0.000 0.969 256 V HN 0.382 nan 8.190 nan 0.000 0.482 257 R N 5.501 126.130 120.500 0.216 0.000 2.310 257 R HA 0.399 3.315 4.340 -2.373 0.000 0.316 257 R C -2.593 173.627 176.300 -0.133 0.000 1.004 257 R CA -1.610 54.541 56.100 0.084 0.000 0.900 257 R CB 1.578 31.925 30.300 0.078 0.000 1.152 257 R HN 0.498 nan 8.270 nan 0.000 0.513 258 P HA 0.083 nan 4.420 nan 0.000 0.274 258 P C -0.132 176.645 177.300 -0.872 0.000 1.256 258 P CA -0.335 61.893 63.100 -1.453 0.000 0.795 258 P CB 0.923 31.631 31.700 -1.653 0.000 1.038 259 D N -0.680 119.174 120.400 -0.910 0.000 2.327 259 D HA 0.124 3.340 4.640 -2.373 0.000 0.205 259 D C 0.553 176.714 176.300 -0.233 0.000 0.989 259 D CA 1.257 55.001 54.000 -0.427 0.000 0.873 259 D CB 0.336 40.833 40.800 -0.506 0.000 0.955 259 D HN 0.324 nan 8.370 nan 0.000 0.515 260 M N 0.429 119.786 119.600 -0.404 0.000 2.484 260 M HA 0.350 3.406 4.480 -2.373 0.000 0.289 260 M C -1.444 174.576 176.300 -0.467 0.000 1.206 260 M CA -0.711 54.429 55.300 -0.267 0.000 0.892 260 M CB 3.836 36.391 32.600 -0.073 0.000 1.712 260 M HN -0.428 nan 8.290 nan 0.000 0.462 261 V N 0.711 120.342 119.914 -0.472 0.000 2.577 261 V HA 0.779 3.476 4.120 -2.373 0.000 0.303 261 V C -0.401 175.305 176.094 -0.645 0.000 1.042 261 V CA -0.330 61.644 62.300 -0.543 0.000 0.872 261 V CB 2.013 33.495 31.823 -0.569 0.000 0.998 261 V HN 1.004 nan 8.190 nan 0.000 0.423 262 T N 2.675 116.927 114.554 -0.504 0.000 2.618 262 T HA 0.647 3.574 4.350 -2.373 0.000 0.293 262 T C -2.231 172.398 174.700 -0.119 0.000 1.093 262 T CA -0.336 61.493 62.100 -0.452 0.000 1.061 262 T CB 2.103 70.575 68.868 -0.660 0.000 1.498 262 T HN 0.839 nan 8.240 nan 0.000 0.494 263 D N -0.214 120.197 120.400 0.018 0.000 2.836 263 D HA 0.375 3.591 4.640 -2.373 0.000 0.215 263 D C -1.138 175.239 176.300 0.128 0.000 1.255 263 D CA -0.227 53.831 54.000 0.098 0.000 0.822 263 D CB 1.559 42.423 40.800 0.107 0.000 1.656 263 D HN 0.401 nan 8.370 nan 0.000 0.511 264 Q N 1.872 121.733 119.800 0.102 0.000 2.144 264 Q HA 0.219 3.135 4.340 -2.373 0.000 0.305 264 Q C -0.278 175.805 176.000 0.138 0.000 0.876 264 Q CA -0.413 55.447 55.803 0.095 0.000 1.130 264 Q CB 1.131 29.854 28.738 -0.026 0.000 1.267 264 Q HN 0.664 nan 8.270 nan 0.000 0.433 265 T N -2.313 112.357 114.554 0.193 0.000 2.856 265 T HA 0.142 3.068 4.350 -2.373 0.000 0.306 265 T C 0.820 175.688 174.700 0.280 0.000 1.062 265 T CA -0.355 61.879 62.100 0.224 0.000 1.083 265 T CB 1.259 70.304 68.868 0.295 0.000 0.984 265 T HN -0.058 nan 8.240 nan 0.000 0.542 266 S N 1.362 117.225 115.700 0.272 0.000 3.697 266 S HA 0.371 3.418 4.470 -2.373 0.000 0.207 266 S C 1.747 176.416 174.600 0.114 0.000 1.459 266 S CA -0.269 58.072 58.200 0.234 0.000 1.122 266 S CB -1.002 62.287 63.200 0.148 0.000 1.311 266 S HN 0.842 nan 8.310 nan 0.000 0.487 267 A N 1.339 124.303 122.820 0.240 0.000 2.070 267 A HA -0.167 2.729 4.320 -2.373 0.000 0.220 267 A C 1.640 179.218 177.584 -0.009 0.000 1.159 267 A CA 1.663 53.743 52.037 0.072 0.000 0.656 267 A CB -0.784 18.213 19.000 -0.004 0.000 0.800 267 A HN 0.906 nan 8.150 nan 0.000 0.453 268 H N -2.382 116.729 119.070 0.068 0.000 2.545 268 H HA 0.131 3.263 4.556 -2.373 0.000 0.282 268 H C 0.100 175.455 175.328 0.046 0.000 1.020 268 H CA 1.049 57.122 56.048 0.042 0.000 1.243 268 H CB -0.066 29.725 29.762 0.049 0.000 1.377 268 H HN 0.297 nan 8.280 nan 0.000 0.581 269 D N 0.504 120.637 120.400 -0.444 0.000 2.443 269 D HA 0.135 3.352 4.640 -2.373 0.000 0.281 269 D C -1.840 174.416 176.300 -0.074 0.000 1.210 269 D CA -2.666 51.174 54.000 -0.267 0.000 0.875 269 D CB 1.016 41.570 40.800 -0.410 0.000 1.125 269 D HN 0.078 nan 8.370 nan 0.000 0.503 270 P HA -0.131 nan 4.420 nan 0.000 0.220 270 P C 1.598 178.970 177.300 0.120 0.000 1.148 270 P CA 0.227 63.346 63.100 0.032 0.000 0.803 270 P CB 0.650 32.333 31.700 -0.027 0.000 0.782 271 L N -0.201 121.054 121.223 0.054 0.000 2.109 271 L HA 0.016 2.932 4.340 -2.373 0.000 0.207 271 L C 1.591 178.403 176.870 -0.096 0.000 1.086 271 L CA 1.940 56.786 54.840 0.010 0.000 0.760 271 L CB -0.786 41.257 42.059 -0.028 0.000 0.910 271 L HN -0.096 nan 8.230 nan 0.000 0.437 272 N N -1.776 116.912 118.700 -0.021 0.000 2.297 272 N HA 0.162 3.479 4.740 -2.373 0.000 0.208 272 N C 1.373 176.988 175.510 0.175 0.000 1.176 272 N CA 0.861 53.867 53.050 -0.074 0.000 0.882 272 N CB 0.448 38.915 38.487 -0.034 0.000 1.134 272 N HN 0.357 nan 8.380 nan 0.000 0.489 273 G N -0.777 108.163 108.800 0.234 0.000 3.324 273 G HA2 0.108 2.644 3.960 -2.373 0.000 0.251 273 G HA3 0.108 2.644 3.960 -2.373 0.000 0.251 273 G C -0.694 174.419 174.900 0.356 0.000 1.072 273 G CA 0.079 45.350 45.100 0.285 0.000 0.787 273 G HN 0.196 nan 8.290 nan 0.000 0.537 274 Y N 0.557 120.961 120.300 0.174 0.000 2.317 274 Y HA 0.495 3.622 4.550 -2.373 0.000 0.325 274 Y C -0.950 174.674 175.900 -0.461 0.000 1.066 274 Y CA -1.301 56.782 58.100 -0.028 0.000 1.203 274 Y CB 1.508 39.946 38.460 -0.036 0.000 1.127 274 Y HN -0.058 nan 8.280 nan 0.000 0.451 275 L N 9.276 130.102 121.223 -0.660 0.000 2.433 275 L HA 0.435 3.351 4.340 -2.373 0.000 0.275 275 L C -2.507 173.987 176.870 -0.626 0.000 1.128 275 L CA -1.553 52.772 54.840 -0.858 0.000 0.875 275 L CB 0.178 42.073 42.059 -0.274 0.000 1.171 275 L HN 0.401 nan 8.230 nan 0.000 0.463 276 P HA 0.119 nan 4.420 nan 0.000 0.269 276 P C -0.282 176.777 177.300 -0.402 0.000 1.209 276 P CA -0.170 62.557 63.100 -0.621 0.000 0.776 276 P CB 0.408 31.289 31.700 -1.364 0.000 0.876 277 I N 1.823 122.252 120.570 -0.235 0.000 2.826 277 I HA -0.050 2.697 4.170 -2.373 0.000 0.295 277 I C 1.716 177.835 176.117 0.005 0.000 1.213 277 I CA 1.523 62.765 61.300 -0.097 0.000 1.436 277 I CB -0.745 37.224 38.000 -0.051 0.000 1.348 277 I HN 0.758 nan 8.210 nan 0.000 0.570 278 G N 4.264 113.115 108.800 0.086 0.000 2.179 278 G HA2 -0.242 2.294 3.960 -2.373 0.000 0.260 278 G HA3 -0.242 2.294 3.960 -2.373 0.000 0.260 278 G C -0.327 174.780 174.900 0.345 0.000 0.977 278 G CA -0.457 44.758 45.100 0.192 0.000 0.641 278 G HN 0.519 nan 8.290 nan 0.000 0.533 279 W N 1.646 122.924 121.300 -0.037 0.000 2.512 279 W HA 0.680 3.917 4.660 -2.373 0.000 0.335 279 W C 1.038 177.555 176.519 -0.003 0.000 1.088 279 W CA -0.351 56.980 57.345 -0.024 0.000 1.236 279 W CB 0.773 30.202 29.460 -0.051 0.000 1.307 279 W HN 0.403 nan 8.180 nan 0.000 0.567 280 T N -1.103 113.583 114.554 0.220 0.000 2.849 280 T HA 0.036 2.962 4.350 -2.373 0.000 0.284 280 T C 0.820 175.694 174.700 0.290 0.000 1.004 280 T CA -0.489 61.737 62.100 0.211 0.000 1.021 280 T CB 1.130 70.088 68.868 0.149 0.000 1.013 280 T HN 0.605 nan 8.240 nan 0.000 0.527 281 W N 1.013 122.410 121.300 0.162 0.000 2.363 281 W HA -0.125 3.111 4.660 -2.374 0.000 0.296 281 W C 1.935 178.583 176.519 0.215 0.000 1.212 281 W CA 1.859 59.337 57.345 0.221 0.000 1.260 281 W CB -0.068 29.496 29.460 0.173 0.000 1.131 281 W HN 1.051 nan 8.180 nan 0.000 0.530 282 E N 0.272 120.633 120.200 0.267 0.000 2.077 282 E HA -0.277 2.650 4.350 -2.373 0.000 0.193 282 E C 2.121 178.744 176.600 0.039 0.000 0.989 282 E CA 1.561 58.043 56.400 0.137 0.000 0.800 282 E CB -0.366 29.406 29.700 0.120 0.000 0.746 282 E HN 0.354 nan 8.360 nan 0.000 0.452 283 Q N -0.651 119.169 119.800 0.033 0.000 2.084 283 Q HA -0.217 2.700 4.340 -2.373 0.000 0.202 283 Q C 2.041 178.038 176.000 -0.004 0.000 0.978 283 Q CA 1.708 57.468 55.803 -0.073 0.000 0.844 283 Q CB -0.338 28.285 28.738 -0.192 0.000 0.898 283 Q HN 0.379 nan 8.270 nan 0.000 0.426 284 Y N 1.496 121.798 120.300 0.004 0.000 2.097 284 Y HA -0.249 2.877 4.550 -2.373 0.000 0.282 284 Y C 2.102 177.930 175.900 -0.119 0.000 1.152 284 Y CA 1.673 59.808 58.100 0.059 0.000 1.136 284 Y CB -0.139 38.187 38.460 -0.223 0.000 0.975 284 Y HN -0.059 nan 8.280 nan 0.000 0.498 285 R N -0.165 120.144 120.500 -0.319 0.000 2.081 285 R HA -0.153 2.763 4.340 -2.373 0.000 0.235 285 R C 1.863 178.062 176.300 -0.167 0.000 1.131 285 R CA 1.516 57.422 56.100 -0.323 0.000 0.960 285 R CB -0.401 29.790 30.300 -0.182 0.000 0.856 285 R HN 0.386 nan 8.270 nan 0.000 0.436 286 D N 0.210 120.551 120.400 -0.098 0.000 2.097 286 D HA -0.126 3.090 4.640 -2.373 0.000 0.195 286 D C 1.979 178.235 176.300 -0.073 0.000 0.989 286 D CA 1.268 55.224 54.000 -0.073 0.000 0.827 286 D CB -0.114 40.647 40.800 -0.065 0.000 0.966 286 D HN 0.148 nan 8.370 nan 0.000 0.456 287 R N 0.543 121.001 120.500 -0.070 0.000 2.148 287 R HA 0.076 2.992 4.340 -2.373 0.000 0.227 287 R C 2.217 178.521 176.300 0.007 0.000 1.103 287 R CA 0.891 56.972 56.100 -0.032 0.000 0.983 287 R CB -0.172 30.097 30.300 -0.051 0.000 0.874 287 R HN 0.068 nan 8.270 nan 0.000 0.451 288 A N 0.909 123.702 122.820 -0.045 0.000 2.024 288 A HA -0.187 2.709 4.320 -2.373 0.000 0.220 288 A C 1.839 179.385 177.584 -0.063 0.000 1.164 288 A CA 1.232 53.215 52.037 -0.090 0.000 0.643 288 A CB -0.149 18.698 19.000 -0.255 0.000 0.806 288 A HN 0.198 nan 8.150 nan 0.000 0.451 289 Q N -0.936 118.829 119.800 -0.059 0.000 2.212 289 Q HA -0.058 2.858 4.340 -2.373 0.000 0.199 289 Q C 2.196 178.182 176.000 -0.024 0.000 0.950 289 Q CA 1.923 57.701 55.803 -0.041 0.000 0.863 289 Q CB -0.422 28.291 28.738 -0.042 0.000 0.944 289 Q HN 0.877 nan 8.270 nan 0.000 0.465 290 T N -1.902 112.640 114.554 -0.020 0.000 3.046 290 T HA 0.178 3.105 4.350 -2.373 0.000 0.242 290 T C 1.348 176.050 174.700 0.003 0.000 1.018 290 T CA 0.066 62.159 62.100 -0.012 0.000 1.131 290 T CB -0.025 68.831 68.868 -0.020 0.000 0.904 290 T HN 0.261 nan 8.240 nan 0.000 0.459 291 I N -0.730 119.850 120.570 0.017 0.000 2.925 291 I HA 0.471 3.217 4.170 -2.373 0.000 0.296 291 I C -2.353 173.802 176.117 0.063 0.000 1.413 291 I CA -2.639 58.685 61.300 0.041 0.000 0.932 291 I CB 1.506 39.537 38.000 0.052 0.000 1.873 291 I HN -0.178 nan 8.210 nan 0.000 0.619 292 P HA -0.155 nan 4.420 nan 0.000 0.218 292 P C 1.635 178.964 177.300 0.048 0.000 1.149 292 P CA 1.811 64.932 63.100 0.035 0.000 0.817 292 P CB 0.448 32.153 31.700 0.010 0.000 0.785 293 A N 0.735 123.581 122.820 0.044 0.000 1.898 293 A HA -0.034 2.862 4.320 -2.373 0.000 0.216 293 A C 2.515 180.133 177.584 0.056 0.000 1.181 293 A CA 2.150 54.212 52.037 0.041 0.000 0.620 293 A CB -1.543 17.477 19.000 0.034 0.000 0.819 293 A HN 0.223 nan 8.150 nan 0.000 0.442 294 A N -0.529 122.340 122.820 0.082 0.000 1.902 294 A HA 0.008 2.904 4.320 -2.373 0.000 0.217 294 A C 2.230 179.906 177.584 0.154 0.000 1.181 294 A CA 1.762 53.870 52.037 0.119 0.000 0.623 294 A CB -0.946 18.143 19.000 0.148 0.000 0.818 294 A HN 0.377 nan 8.150 nan 0.000 0.443 295 V N -0.364 119.667 119.914 0.194 0.000 2.255 295 V HA -0.258 2.438 4.120 -2.373 0.000 0.247 295 V C 2.577 178.693 176.094 0.037 0.000 1.051 295 V CA 2.086 64.498 62.300 0.187 0.000 1.018 295 V CB -0.895 31.072 31.823 0.241 0.000 0.641 295 V HN 0.371 nan 8.190 nan 0.000 0.445 296 V N -0.248 119.692 119.914 0.044 0.000 2.332 296 V HA -0.320 2.376 4.120 -2.373 0.000 0.248 296 V C 2.454 178.530 176.094 -0.030 0.000 1.055 296 V CA 2.235 64.540 62.300 0.010 0.000 1.038 296 V CB -0.726 31.104 31.823 0.013 0.000 0.651 296 V HN 0.560 nan 8.190 nan 0.000 0.450 297 K N 0.013 120.403 120.400 -0.018 0.000 2.057 297 K HA -0.087 2.809 4.320 -2.373 0.000 0.206 297 K C 2.338 178.893 176.600 -0.076 0.000 1.050 297 K CA 1.371 57.639 56.287 -0.031 0.000 0.935 297 K CB -0.432 32.069 32.500 0.001 0.000 0.715 297 K HN 0.469 nan 8.250 nan 0.000 0.439 298 A N 1.717 124.465 122.820 -0.120 0.000 1.908 298 A HA -0.171 2.725 4.320 -2.373 0.000 0.218 298 A C 2.393 179.795 177.584 -0.303 0.000 1.181 298 A CA 2.019 53.898 52.037 -0.264 0.000 0.627 298 A CB -0.736 17.936 19.000 -0.547 0.000 0.818 298 A HN 0.346 nan 8.150 nan 0.000 0.445 299 A N -0.375 122.286 122.820 -0.265 0.000 1.873 299 A HA -0.146 2.751 4.320 -2.373 0.000 0.215 299 A C 2.122 179.587 177.584 -0.198 0.000 1.186 299 A CA 1.833 53.773 52.037 -0.162 0.000 0.616 299 A CB -0.460 18.503 19.000 -0.060 0.000 0.823 299 A HN 0.526 nan 8.150 nan 0.000 0.442 300 K N -0.311 119.987 120.400 -0.170 0.000 2.063 300 K HA -0.089 2.807 4.320 -2.373 0.000 0.208 300 K C 2.276 178.795 176.600 -0.135 0.000 1.048 300 K CA 1.172 57.358 56.287 -0.167 0.000 0.928 300 K CB -0.329 32.111 32.500 -0.101 0.000 0.713 300 K HN 0.450 nan 8.250 nan 0.000 0.442 301 A N 0.855 123.614 122.820 -0.101 0.000 1.902 301 A HA -0.161 2.735 4.320 -2.373 0.000 0.217 301 A C 2.179 179.730 177.584 -0.054 0.000 1.181 301 A CA 1.911 53.908 52.037 -0.067 0.000 0.623 301 A CB -0.506 18.461 19.000 -0.055 0.000 0.818 301 A HN 0.188 nan 8.150 nan 0.000 0.443 302 S N -0.315 115.349 115.700 -0.060 0.000 2.383 302 S HA -0.144 2.902 4.470 -2.373 0.000 0.227 302 S C 1.980 176.630 174.600 0.084 0.000 1.026 302 S CA 1.722 59.941 58.200 0.032 0.000 0.981 302 S CB -0.418 62.839 63.200 0.094 0.000 0.818 302 S HN 0.587 nan 8.310 nan 0.000 0.472 303 M N 1.255 120.781 119.600 -0.123 0.000 2.149 303 M HA -0.123 2.933 4.480 -2.373 0.000 0.261 303 M C 2.489 178.760 176.300 -0.048 0.000 1.064 303 M CA 1.450 56.625 55.300 -0.209 0.000 1.102 303 M CB -0.615 31.703 32.600 -0.470 0.000 1.369 303 M HN 0.400 nan 8.290 nan 0.000 0.408 304 A N -0.052 122.739 122.820 -0.047 0.000 1.902 304 A HA -0.106 2.791 4.320 -2.373 0.000 0.217 304 A C 2.258 179.860 177.584 0.030 0.000 1.181 304 A CA 1.693 53.722 52.037 -0.014 0.000 0.623 304 A CB -0.978 18.010 19.000 -0.021 0.000 0.818 304 A HN 0.299 nan 8.150 nan 0.000 0.443 305 V N -0.556 119.386 119.914 0.047 0.000 2.343 305 V HA -0.296 2.401 4.120 -2.373 0.000 0.247 305 V C 2.413 178.579 176.094 0.119 0.000 1.051 305 V CA 2.315 64.650 62.300 0.059 0.000 1.036 305 V CB -1.041 30.807 31.823 0.041 0.000 0.654 305 V HN 0.846 nan 8.190 nan 0.000 0.451 306 H N -0.583 118.514 119.070 0.044 0.000 2.321 306 H HA -0.145 2.987 4.556 -2.373 0.000 0.300 306 H C 2.260 177.626 175.328 0.063 0.000 1.087 306 H CA 1.715 57.809 56.048 0.076 0.000 1.319 306 H CB 0.215 30.072 29.762 0.159 0.000 1.379 306 H HN 0.234 nan 8.280 nan 0.000 0.501 307 V N 1.037 121.039 119.914 0.147 0.000 2.515 307 V HA -0.232 2.464 4.120 -2.373 0.000 0.250 307 V C 2.338 178.505 176.094 0.122 0.000 1.058 307 V CA 1.701 64.069 62.300 0.112 0.000 1.064 307 V CB -0.440 31.423 31.823 0.067 0.000 0.675 307 V HN 0.523 nan 8.190 nan 0.000 0.461 308 Q N -0.172 119.675 119.800 0.078 0.000 2.061 308 Q HA -0.242 2.674 4.340 -2.373 0.000 0.204 308 Q C 2.454 178.448 176.000 -0.010 0.000 0.984 308 Q CA 1.957 57.782 55.803 0.037 0.000 0.846 308 Q CB -0.401 28.346 28.738 0.015 0.000 0.902 308 Q HN 0.685 nan 8.270 nan 0.000 0.421 309 A N 0.740 123.553 122.820 -0.011 0.000 1.902 309 A HA -0.200 2.696 4.320 -2.373 0.000 0.217 309 A C 2.064 179.564 177.584 -0.139 0.000 1.181 309 A CA 1.497 53.453 52.037 -0.134 0.000 0.623 309 A CB -0.515 18.450 19.000 -0.058 0.000 0.818 309 A HN 0.299 nan 8.150 nan 0.000 0.443 310 M N -0.674 118.947 119.600 0.035 0.000 2.117 310 M HA -0.119 2.937 4.480 -2.373 0.000 0.262 310 M C 2.097 178.329 176.300 -0.114 0.000 1.065 310 M CA 1.400 56.672 55.300 -0.046 0.000 1.114 310 M CB -0.548 31.838 32.600 -0.357 0.000 1.361 310 M HN 0.360 nan 8.290 nan 0.000 0.408 311 L N -0.118 121.102 121.223 -0.005 0.000 2.083 311 L HA -0.245 2.671 4.340 -2.373 0.000 0.209 311 L C 2.010 178.881 176.870 0.002 0.000 1.083 311 L CA 0.962 55.846 54.840 0.072 0.000 0.752 311 L CB -0.781 41.354 42.059 0.126 0.000 0.899 311 L HN 0.280 nan 8.230 nan 0.000 0.433 312 D N -0.303 120.042 120.400 -0.091 0.000 2.117 312 D HA -0.172 3.044 4.640 -2.373 0.000 0.197 312 D C 2.098 178.309 176.300 -0.149 0.000 0.987 312 D CA 1.322 55.225 54.000 -0.162 0.000 0.829 312 D CB -0.146 40.481 40.800 -0.288 0.000 0.961 312 D HN 0.163 nan 8.370 nan 0.000 0.460 313 F N 1.185 121.094 119.950 -0.069 0.000 2.102 313 F HA -0.107 2.996 4.527 -2.373 0.000 0.298 313 F C 2.633 178.382 175.800 -0.085 0.000 1.105 313 F CA 0.865 58.808 58.000 -0.095 0.000 1.239 313 F CB -0.738 38.170 39.000 -0.153 0.000 0.991 313 F HN -0.017 nan 8.300 nan 0.000 0.474 314 Q N 0.568 120.429 119.800 0.102 0.000 2.079 314 Q HA -0.211 2.705 4.340 -2.373 0.000 0.200 314 Q C 2.046 178.084 176.000 0.064 0.000 0.974 314 Q CA 1.484 57.325 55.803 0.064 0.000 0.840 314 Q CB -0.070 28.715 28.738 0.078 0.000 0.898 314 Q HN 0.351 nan 8.270 nan 0.000 0.430 315 K N 0.031 120.463 120.400 0.054 0.000 2.211 315 K HA -0.172 2.725 4.320 -2.373 0.000 0.204 315 K C 1.736 178.359 176.600 0.038 0.000 1.047 315 K CA 1.305 57.617 56.287 0.041 0.000 0.935 315 K CB 0.046 32.560 32.500 0.023 0.000 0.728 315 K HN 0.339 nan 8.250 nan 0.000 0.452 316 Q N -0.662 119.166 119.800 0.047 0.000 2.365 316 Q HA 0.072 2.989 4.340 -2.373 0.000 0.203 316 Q C 0.690 176.720 176.000 0.050 0.000 0.929 316 Q CA 0.439 56.273 55.803 0.052 0.000 0.948 316 Q CB 0.827 29.610 28.738 0.075 0.000 1.043 316 Q HN 0.516 nan 8.270 nan 0.000 0.505 317 G N 0.486 109.312 108.800 0.042 0.000 2.157 317 G HA2 -0.243 2.293 3.960 -2.373 0.000 0.248 317 G HA3 -0.243 2.293 3.960 -2.373 0.000 0.248 317 G C 0.181 175.077 174.900 -0.007 0.000 0.979 317 G CA -0.062 45.053 45.100 0.025 0.000 0.650 317 G HN 0.228 nan 8.290 nan 0.000 0.529 318 V N 2.071 121.984 119.914 -0.001 0.000 2.470 318 V HA 0.322 3.018 4.120 -2.373 0.000 0.276 318 V C -1.452 174.581 176.094 -0.101 0.000 1.040 318 V CA -1.136 61.126 62.300 -0.063 0.000 1.008 318 V CB 1.067 32.837 31.823 -0.089 0.000 0.990 318 V HN 0.121 nan 8.190 nan 0.000 0.477 319 P HA 0.089 nan 4.420 nan 0.000 0.257 319 P C -0.318 177.004 177.300 0.036 0.000 1.189 319 P CA 0.646 63.643 63.100 -0.172 0.000 0.780 319 P CB 0.068 31.514 31.700 -0.423 0.000 0.772 320 T N 4.871 119.493 114.554 0.114 0.000 2.848 320 T HA 0.733 3.659 4.350 -2.373 0.000 0.285 320 T C -0.527 174.322 174.700 0.248 0.000 0.995 320 T CA -0.340 61.726 62.100 -0.057 0.000 0.970 320 T CB 0.537 69.239 68.868 -0.277 0.000 0.976 320 T HN 0.205 nan 8.240 nan 0.000 0.441 321 F N -0.199 119.823 119.950 0.120 0.000 2.641 321 F HA 0.616 3.719 4.527 -2.373 0.000 0.308 321 F C -0.841 175.213 175.800 0.423 0.000 1.105 321 F CA -1.306 56.921 58.000 0.378 0.000 0.964 321 F CB 1.117 40.349 39.000 0.386 0.000 1.294 321 F HN 0.327 nan 8.300 nan 0.000 0.442 322 D N 1.402 122.211 120.400 0.681 0.000 2.308 322 D HA 0.059 3.276 4.640 -2.373 0.000 0.251 322 D C -1.124 175.479 176.300 0.506 0.000 1.127 322 D CA 0.152 54.447 54.000 0.492 0.000 0.876 322 D CB 0.940 41.898 40.800 0.262 0.000 1.176 322 D HN 0.805 nan 8.370 nan 0.000 0.446 323 Y N 1.989 122.486 120.300 0.328 0.000 2.833 323 Y HA 0.282 3.408 4.550 -2.374 0.000 0.339 323 Y C 1.314 177.369 175.900 0.258 0.000 1.032 323 Y CA 0.068 58.318 58.100 0.249 0.000 1.450 323 Y CB 0.109 38.577 38.460 0.013 0.000 1.296 323 Y HN 0.735 nan 8.280 nan 0.000 0.535 324 G N 1.681 110.758 108.800 0.462 0.000 2.198 324 G HA2 -0.376 2.160 3.960 -2.373 0.000 0.257 324 G HA3 -0.376 2.160 3.960 -2.373 0.000 0.257 324 G C 0.386 175.436 174.900 0.250 0.000 1.042 324 G CA 0.601 45.918 45.100 0.363 0.000 0.791 324 G HN 0.640 nan 8.290 nan 0.000 0.502 325 N N -0.233 118.605 118.700 0.230 0.000 2.204 325 N HA 0.119 3.435 4.740 -2.373 0.000 0.219 325 N C 0.934 176.551 175.510 0.179 0.000 1.151 325 N CA 0.049 53.229 53.050 0.216 0.000 0.867 325 N CB -0.162 38.471 38.487 0.243 0.000 1.043 325 N HN 0.254 nan 8.380 nan 0.000 0.516 326 N N 0.045 118.821 118.700 0.126 0.000 2.909 326 N HA -0.198 3.119 4.740 -2.373 0.000 0.242 326 N C 0.598 176.112 175.510 0.006 0.000 0.975 326 N CA 0.869 53.967 53.050 0.080 0.000 0.921 326 N CB -1.685 36.863 38.487 0.101 0.000 1.112 326 N HN 0.489 nan 8.380 nan 0.000 0.581 327 I N 0.627 121.190 120.570 -0.013 0.000 2.286 327 I HA -0.220 2.526 4.170 -2.373 0.000 0.248 327 I C 2.264 178.280 176.117 -0.169 0.000 1.115 327 I CA 1.391 62.635 61.300 -0.093 0.000 1.392 327 I CB 0.053 37.999 38.000 -0.090 0.000 1.065 327 I HN 0.200 nan 8.210 nan 0.000 0.418 328 R N -0.107 120.225 120.500 -0.281 0.000 2.073 328 R HA -0.251 2.665 4.340 -2.373 0.000 0.234 328 R C 2.298 178.315 176.300 -0.471 0.000 1.134 328 R CA 1.732 57.468 56.100 -0.606 0.000 0.952 328 R CB -0.417 29.137 30.300 -1.244 0.000 0.850 328 R HN 0.337 nan 8.270 nan 0.000 0.433 329 Q N 0.462 120.149 119.800 -0.189 0.000 2.061 329 Q HA -0.132 2.784 4.340 -2.373 0.000 0.204 329 Q C 1.996 178.015 176.000 0.033 0.000 0.984 329 Q CA 1.741 57.614 55.803 0.117 0.000 0.846 329 Q CB -0.041 28.807 28.738 0.182 0.000 0.902 329 Q HN 0.169 nan 8.270 nan 0.000 0.421 330 M N -0.544 119.035 119.600 -0.036 0.000 2.108 330 M HA -0.116 2.940 4.480 -2.373 0.000 0.261 330 M C 2.141 178.401 176.300 -0.068 0.000 1.066 330 M CA 1.777 57.041 55.300 -0.061 0.000 1.107 330 M CB -1.438 31.091 32.600 -0.119 0.000 1.356 330 M HN 0.365 nan 8.290 nan 0.000 0.406 331 A N 0.009 122.774 122.820 -0.092 0.000 1.930 331 A HA -0.178 2.718 4.320 -2.373 0.000 0.217 331 A C 2.246 179.812 177.584 -0.030 0.000 1.175 331 A CA 1.938 53.933 52.037 -0.071 0.000 0.627 331 A CB -0.518 18.433 19.000 -0.082 0.000 0.815 331 A HN 0.378 nan 8.150 nan 0.000 0.443 332 K N 0.635 121.030 120.400 -0.009 0.000 2.063 332 K HA -0.160 2.736 4.320 -2.373 0.000 0.208 332 K C 1.654 178.284 176.600 0.051 0.000 1.048 332 K CA 2.076 58.401 56.287 0.062 0.000 0.928 332 K CB -0.405 32.217 32.500 0.204 0.000 0.713 332 K HN 0.594 nan 8.250 nan 0.000 0.442 333 E N -0.093 120.131 120.200 0.040 0.000 2.333 333 E HA -0.134 2.792 4.350 -2.373 0.000 0.198 333 E C 0.891 177.498 176.600 0.010 0.000 1.007 333 E CA 0.751 57.167 56.400 0.026 0.000 0.845 333 E CB 0.114 29.826 29.700 0.021 0.000 0.766 333 E HN 0.296 nan 8.360 nan 0.000 0.507 334 E N -0.870 119.331 120.200 0.001 0.000 2.481 334 E HA 0.096 3.023 4.350 -2.373 0.000 0.198 334 E C 0.971 177.572 176.600 0.002 0.000 1.027 334 E CA 0.402 56.799 56.400 -0.005 0.000 0.900 334 E CB 1.197 30.884 29.700 -0.021 0.000 0.993 334 E HN 0.322 nan 8.360 nan 0.000 0.482 335 G N 0.619 109.426 108.800 0.011 0.000 2.163 335 G HA2 -0.249 2.287 3.960 -2.373 0.000 0.213 335 G HA3 -0.249 2.287 3.960 -2.373 0.000 0.213 335 G C 0.388 175.299 174.900 0.018 0.000 0.991 335 G CA 0.101 45.209 45.100 0.015 0.000 0.653 335 G HN 0.137 nan 8.290 nan 0.000 0.518 336 V N 1.842 121.766 119.914 0.017 0.000 2.229 336 V HA 0.498 3.194 4.120 -2.373 0.000 0.245 336 V C 1.815 177.931 176.094 0.036 0.000 1.243 336 V CA 0.800 63.112 62.300 0.020 0.000 1.176 336 V CB 0.027 31.855 31.823 0.009 0.000 1.323 336 V HN 0.777 nan 8.190 nan 0.000 0.499 337 A N 4.278 127.122 122.820 0.041 0.000 2.019 337 A HA -0.127 2.770 4.320 -2.373 0.000 0.219 337 A C 1.746 179.374 177.584 0.072 0.000 1.164 337 A CA 1.603 53.673 52.037 0.054 0.000 0.644 337 A CB -0.288 18.735 19.000 0.038 0.000 0.805 337 A HN 0.821 nan 8.150 nan 0.000 0.449 338 N N -0.154 118.582 118.700 0.061 0.000 2.327 338 N HA 0.328 3.645 4.740 -2.373 0.000 0.231 338 N C 0.933 176.473 175.510 0.050 0.000 1.130 338 N CA 0.654 53.746 53.050 0.069 0.000 0.845 338 N CB -0.190 38.334 38.487 0.061 0.000 1.073 338 N HN 0.238 nan 8.380 nan 0.000 0.496 339 A N 0.113 122.941 122.820 0.013 0.000 2.019 339 A HA -0.003 2.893 4.320 -2.373 0.000 0.219 339 A C 1.020 178.319 177.584 -0.475 0.000 1.164 339 A CA 0.668 52.599 52.037 -0.178 0.000 0.644 339 A CB -0.745 18.111 19.000 -0.240 0.000 0.805 339 A HN 0.287 nan 8.150 nan 0.000 0.449 340 F N -0.196 119.639 119.950 -0.192 0.000 2.664 340 F HA 0.117 3.220 4.527 -2.373 0.000 0.301 340 F C 1.073 176.777 175.800 -0.160 0.000 1.126 340 F CA -0.088 57.770 58.000 -0.237 0.000 1.373 340 F CB 0.241 39.155 39.000 -0.144 0.000 1.042 340 F HN 0.115 nan 8.300 nan 0.000 0.535 341 D N 0.295 120.703 120.400 0.014 0.000 2.269 341 D HA -0.083 3.133 4.640 -2.373 0.000 0.208 341 D C 0.344 176.735 176.300 0.153 0.000 0.963 341 D CA 0.867 54.922 54.000 0.091 0.000 0.864 341 D CB -0.092 40.780 40.800 0.120 0.000 0.936 341 D HN 0.265 nan 8.370 nan 0.000 0.505 342 F N -0.396 119.586 119.950 0.052 0.000 2.450 342 F HA 0.651 3.755 4.527 -2.372 0.000 0.332 342 F C -2.698 173.147 175.800 0.075 0.000 1.093 342 F CA -2.828 55.210 58.000 0.064 0.000 1.003 342 F CB 1.040 40.079 39.000 0.065 0.000 1.151 342 F HN -0.295 nan 8.300 nan 0.000 0.474 343 P HA 0.323 nan 4.420 nan 0.000 0.281 343 P C -0.216 177.188 177.300 0.173 0.000 1.264 343 P CA -0.239 62.922 63.100 0.103 0.000 0.824 343 P CB 1.271 32.989 31.700 0.032 0.000 1.092 344 G N -0.079 108.778 108.800 0.096 0.000 2.569 344 G HA2 0.211 2.747 3.960 -2.373 0.000 0.249 344 G HA3 0.211 2.747 3.960 -2.373 0.000 0.249 344 G C 0.628 175.567 174.900 0.066 0.000 1.216 344 G CA -0.658 44.524 45.100 0.137 0.000 0.845 344 G HN 0.557 nan 8.290 nan 0.000 0.568 345 F N 0.396 120.325 119.950 -0.036 0.000 2.234 345 F HA -0.030 3.073 4.527 -2.373 0.000 0.299 345 F C 2.014 177.667 175.800 -0.246 0.000 1.087 345 F CA 0.884 58.764 58.000 -0.199 0.000 1.340 345 F CB -0.565 38.155 39.000 -0.467 0.000 1.031 345 F HN 0.144 nan 8.300 nan 0.000 0.500 346 V N 1.786 121.072 119.914 -1.048 0.000 2.229 346 V HA -0.157 2.539 4.120 -2.373 0.000 0.243 346 V C -0.013 175.806 176.094 -0.457 0.000 1.042 346 V CA 2.133 63.947 62.300 -0.810 0.000 1.000 346 V CB -1.902 29.491 31.823 -0.715 0.000 0.637 346 V HN 0.199 nan 8.190 nan 0.000 0.446 347 P HA -0.184 nan 4.420 nan 0.000 0.216 347 P C 1.610 178.735 177.300 -0.292 0.000 1.153 347 P CA 2.218 65.184 63.100 -0.223 0.000 0.858 347 P CB -0.139 31.490 31.700 -0.119 0.000 0.789 348 A N -2.252 120.324 122.820 -0.406 0.000 1.872 348 A HA -0.149 2.747 4.320 -2.373 0.000 0.214 348 A C 1.625 178.724 177.584 -0.809 0.000 1.187 348 A CA 1.581 53.204 52.037 -0.690 0.000 0.614 348 A CB -1.311 17.074 19.000 -1.025 0.000 0.826 348 A HN 0.160 nan 8.150 nan 0.000 0.442 349 Y N -1.997 118.130 120.300 -0.288 0.000 2.701 349 Y HA 0.279 3.405 4.550 -2.373 0.000 0.275 349 Y C 2.054 177.727 175.900 -0.377 0.000 1.133 349 Y CA -0.512 57.393 58.100 -0.326 0.000 1.241 349 Y CB 0.126 38.367 38.460 -0.366 0.000 1.389 349 Y HN 0.075 nan 8.280 nan 0.000 0.486 350 I N 0.343 120.718 120.570 -0.325 0.000 2.400 350 I HA -0.109 2.637 4.170 -2.373 0.000 0.248 350 I C 2.368 178.089 176.117 -0.661 0.000 1.109 350 I CA 1.119 62.108 61.300 -0.518 0.000 1.425 350 I CB -0.967 36.659 38.000 -0.624 0.000 1.094 350 I HN 0.165 nan 8.210 nan 0.000 0.425 351 R N 1.268 121.442 120.500 -0.543 0.000 2.091 351 R HA -0.148 2.768 4.340 -2.373 0.000 0.238 351 R C -0.479 175.588 176.300 -0.387 0.000 1.136 351 R CA 1.756 57.591 56.100 -0.442 0.000 0.959 351 R CB -1.030 29.066 30.300 -0.340 0.000 0.856 351 R HN 0.212 nan 8.270 nan 0.000 0.437 352 P HA -0.152 nan 4.420 nan 0.000 0.216 352 P C 0.978 178.182 177.300 -0.160 0.000 1.150 352 P CA 1.268 64.237 63.100 -0.219 0.000 0.837 352 P CB -0.021 31.577 31.700 -0.170 0.000 0.786 353 L N -2.507 118.632 121.223 -0.141 0.000 2.027 353 L HA -0.144 2.772 4.340 -2.373 0.000 0.206 353 L C 2.410 179.333 176.870 0.088 0.000 1.074 353 L CA 1.251 56.088 54.840 -0.005 0.000 0.745 353 L CB -1.046 41.058 42.059 0.075 0.000 0.898 353 L HN -0.093 nan 8.230 nan 0.000 0.433 354 F N 0.043 119.887 119.950 -0.176 0.000 2.154 354 F HA -0.251 2.852 4.527 -2.373 0.000 0.301 354 F C 2.691 178.196 175.800 -0.491 0.000 1.087 354 F CA 0.549 58.338 58.000 -0.351 0.000 1.274 354 F CB -1.552 37.128 39.000 -0.534 0.000 1.009 354 F HN 0.184 nan 8.300 nan 0.000 0.485 355 C N -0.157 118.953 119.300 -0.317 0.000 2.409 355 C HA -0.154 2.882 4.460 -2.373 0.000 0.284 355 C C 2.343 177.276 174.990 -0.094 0.000 1.354 355 C CA 0.713 59.587 59.018 -0.239 0.000 1.787 355 C CB -1.205 26.420 27.740 -0.192 0.000 1.900 355 C HN 0.334 nan 8.230 nan 0.000 0.520 356 R N -0.021 120.445 120.500 -0.058 0.000 2.427 356 R HA 0.234 3.150 4.340 -2.373 0.000 0.262 356 R C 1.556 177.846 176.300 -0.017 0.000 0.943 356 R CA 0.654 56.740 56.100 -0.024 0.000 1.081 356 R CB 0.002 30.297 30.300 -0.009 0.000 1.166 356 R HN 0.496 nan 8.270 nan 0.000 0.534 357 G N 1.258 110.040 108.800 -0.030 0.000 2.155 357 G HA2 -0.274 2.262 3.960 -2.373 0.000 0.257 357 G HA3 -0.274 2.262 3.960 -2.373 0.000 0.257 357 G C 0.275 175.173 174.900 -0.004 0.000 0.983 357 G CA 0.218 45.293 45.100 -0.042 0.000 0.676 357 G HN 0.172 nan 8.290 nan 0.000 0.528 358 V N 0.774 120.735 119.914 0.079 0.000 2.446 358 V HA 0.604 3.300 4.120 -2.373 0.000 0.276 358 V C 1.072 177.288 176.094 0.203 0.000 1.030 358 V CA 0.823 63.219 62.300 0.159 0.000 1.033 358 V CB 0.765 32.728 31.823 0.233 0.000 0.993 358 V HN 1.022 nan 8.190 nan 0.000 0.477 359 G N 5.885 114.621 108.800 -0.108 0.000 2.687 359 G HA2 0.619 3.155 3.960 -2.373 0.000 0.291 359 G HA3 0.619 3.155 3.960 -2.373 0.000 0.291 359 G C -3.216 171.091 174.900 -0.987 0.000 1.420 359 G CA -1.062 43.637 45.100 -0.668 0.000 0.796 359 G HN 0.411 nan 8.290 nan 0.000 0.485 360 P HA 0.206 nan 4.420 nan 0.000 0.252 360 P C -0.590 176.604 177.300 -0.177 0.000 1.727 360 P CA -0.357 62.253 63.100 -0.818 0.000 1.134 360 P CB -0.224 31.172 31.700 -0.505 0.000 1.876 361 F N 5.093 124.953 119.950 -0.150 0.000 2.538 361 F HA 0.039 3.143 4.527 -2.373 0.000 0.382 361 F C 1.037 176.995 175.800 0.264 0.000 1.069 361 F CA 0.039 58.086 58.000 0.079 0.000 1.138 361 F CB 0.403 39.490 39.000 0.144 0.000 1.068 361 F HN 0.238 nan 8.300 nan 0.000 0.556 362 R N 6.235 126.680 120.500 -0.091 0.000 2.740 362 R HA 0.738 3.655 4.340 -2.373 0.000 0.282 362 R C -1.987 174.326 176.300 0.022 0.000 0.969 362 R CA -0.835 55.254 56.100 -0.019 0.000 0.918 362 R CB 1.434 31.705 30.300 -0.049 0.000 1.175 362 R HN 0.707 nan 8.270 nan 0.000 0.464 363 W N 0.757 121.982 121.300 -0.124 0.000 3.118 363 W HA 0.802 4.038 4.660 -2.374 0.000 0.328 363 W C -2.144 174.339 176.519 -0.060 0.000 1.239 363 W CA -1.035 56.249 57.345 -0.101 0.000 1.176 363 W CB 1.276 30.715 29.460 -0.035 0.000 1.433 363 W HN 0.826 nan 8.180 nan 0.000 0.562 364 A N 1.595 124.468 122.820 0.088 0.000 2.449 364 A HA 0.873 3.769 4.320 -2.373 0.000 0.302 364 A C -1.116 176.466 177.584 -0.002 0.000 1.048 364 A CA -0.701 51.312 52.037 -0.041 0.000 0.708 364 A CB 1.290 20.282 19.000 -0.014 0.000 1.274 364 A HN 1.623 nan 8.150 nan 0.000 0.410 365 A N 1.885 124.644 122.820 -0.102 0.000 2.310 365 A HA 0.530 3.426 4.320 -2.373 0.000 0.300 365 A C 0.761 178.301 177.584 -0.075 0.000 1.269 365 A CA -0.440 51.532 52.037 -0.107 0.000 0.909 365 A CB -0.452 18.434 19.000 -0.191 0.000 1.144 365 A HN 0.923 nan 8.150 nan 0.000 0.540 366 L N 2.581 123.785 121.223 -0.031 0.000 2.265 366 L HA -0.180 2.737 4.340 -2.373 0.000 0.215 366 L C 2.727 179.630 176.870 0.055 0.000 1.117 366 L CA 1.524 56.392 54.840 0.048 0.000 0.782 366 L CB -0.365 41.767 42.059 0.120 0.000 0.914 366 L HN 0.910 nan 8.230 nan 0.000 0.441 367 S N -0.334 115.358 115.700 -0.014 0.000 2.399 367 S HA -0.099 2.948 4.470 -2.373 0.000 0.231 367 S C 1.765 176.355 174.600 -0.016 0.000 1.022 367 S CA 0.936 59.137 58.200 0.001 0.000 0.983 367 S CB -0.311 62.861 63.200 -0.046 0.000 0.803 367 S HN 0.557 nan 8.310 nan 0.000 0.480 368 G N 0.541 109.301 108.800 -0.066 0.000 2.175 368 G HA2 -0.188 2.349 3.960 -2.373 0.000 0.244 368 G HA3 -0.188 2.349 3.960 -2.373 0.000 0.244 368 G C -0.264 174.551 174.900 -0.142 0.000 0.982 368 G CA 0.126 45.171 45.100 -0.093 0.000 0.641 368 G HN 0.545 nan 8.290 nan 0.000 0.527 369 E N 0.306 120.413 120.200 -0.154 0.000 2.229 369 E HA 0.588 3.514 4.350 -2.373 0.000 0.283 369 E C 1.327 177.751 176.600 -0.294 0.000 1.030 369 E CA 0.219 56.521 56.400 -0.164 0.000 0.836 369 E CB 1.369 31.004 29.700 -0.108 0.000 1.068 369 E HN 0.419 nan 8.360 nan 0.000 0.401 370 A N 4.019 126.653 122.820 -0.311 0.000 1.933 370 A HA -0.205 2.691 4.320 -2.373 0.000 0.218 370 A C 1.809 178.993 177.584 -0.667 0.000 1.175 370 A CA 1.323 53.036 52.037 -0.539 0.000 0.628 370 A CB -0.268 18.601 19.000 -0.218 0.000 0.814 370 A HN 0.673 nan 8.150 nan 0.000 0.444 371 E N -0.167 119.862 120.200 -0.287 0.000 2.171 371 E HA -0.233 2.693 4.350 -2.373 0.000 0.197 371 E C 1.378 177.918 176.600 -0.101 0.000 0.997 371 E CA 1.242 57.595 56.400 -0.078 0.000 0.810 371 E CB -0.186 29.527 29.700 0.022 0.000 0.738 371 E HN 0.538 nan 8.360 nan 0.000 0.467 372 D N 0.344 120.643 120.400 -0.168 0.000 2.097 372 D HA -0.145 3.071 4.640 -2.373 0.000 0.195 372 D C 1.851 178.070 176.300 -0.135 0.000 0.989 372 D CA 0.773 54.687 54.000 -0.143 0.000 0.827 372 D CB -0.070 40.633 40.800 -0.161 0.000 0.966 372 D HN 0.123 nan 8.370 nan 0.000 0.456 373 I N 0.385 120.818 120.570 -0.227 0.000 2.315 373 I HA -0.237 2.509 4.170 -2.373 0.000 0.248 373 I C 2.073 178.249 176.117 0.098 0.000 1.117 373 I CA 0.981 62.217 61.300 -0.106 0.000 1.404 373 I CB -1.010 36.811 38.000 -0.299 0.000 1.071 373 I HN 0.062 nan 8.210 nan 0.000 0.419 374 Y N 1.502 121.853 120.300 0.085 0.000 2.242 374 Y HA -0.145 2.981 4.550 -2.373 0.000 0.291 374 Y C 2.536 178.466 175.900 0.050 0.000 1.137 374 Y CA 0.650 58.795 58.100 0.076 0.000 1.181 374 Y CB -1.015 37.480 38.460 0.060 0.000 0.989 374 Y HN 0.183 nan 8.280 nan 0.000 0.527 375 K N -0.353 120.143 120.400 0.159 0.000 2.057 375 K HA -0.134 2.762 4.320 -2.373 0.000 0.206 375 K C 2.151 178.784 176.600 0.055 0.000 1.050 375 K CA 1.993 58.327 56.287 0.079 0.000 0.935 375 K CB -0.442 32.071 32.500 0.022 0.000 0.715 375 K HN 0.453 nan 8.250 nan 0.000 0.439 376 T N -0.268 114.289 114.554 0.006 0.000 2.867 376 T HA -0.131 2.795 4.350 -2.373 0.000 0.268 376 T C 1.419 176.245 174.700 0.211 0.000 1.057 376 T CA 1.297 63.347 62.100 -0.083 0.000 1.136 376 T CB -0.269 68.307 68.868 -0.486 0.000 0.874 376 T HN 0.012 nan 8.240 nan 0.000 0.466 377 D N 2.240 122.824 120.400 0.307 0.000 2.104 377 D HA -0.019 3.197 4.640 -2.373 0.000 0.194 377 D C 2.491 178.890 176.300 0.165 0.000 0.994 377 D CA 1.658 55.841 54.000 0.306 0.000 0.830 377 D CB -0.734 40.214 40.800 0.245 0.000 0.959 377 D HN 0.573 nan 8.370 nan 0.000 0.452 378 A N 0.552 123.443 122.820 0.118 0.000 1.930 378 A HA -0.186 2.710 4.320 -2.373 0.000 0.217 378 A C 2.066 179.690 177.584 0.066 0.000 1.175 378 A CA 1.873 53.947 52.037 0.060 0.000 0.627 378 A CB -0.355 18.679 19.000 0.056 0.000 0.815 378 A HN 0.097 nan 8.150 nan 0.000 0.443 379 K N 0.020 120.484 120.400 0.106 0.000 2.057 379 K HA -0.046 2.851 4.320 -2.373 0.000 0.206 379 K C 1.656 178.326 176.600 0.116 0.000 1.050 379 K CA 1.801 58.161 56.287 0.121 0.000 0.935 379 K CB -0.724 31.885 32.500 0.182 0.000 0.715 379 K HN 0.178 nan 8.250 nan 0.000 0.439 380 V N 1.468 121.477 119.914 0.158 0.000 2.295 380 V HA -0.266 2.431 4.120 -2.373 0.000 0.246 380 V C 2.205 178.331 176.094 0.054 0.000 1.049 380 V CA 2.070 64.437 62.300 0.112 0.000 1.024 380 V CB -0.444 31.509 31.823 0.217 0.000 0.648 380 V HN 0.356 nan 8.190 nan 0.000 0.447 381 K N -0.284 120.100 120.400 -0.027 0.000 2.063 381 K HA -0.268 2.628 4.320 -2.373 0.000 0.208 381 K C 2.264 178.888 176.600 0.040 0.000 1.048 381 K CA 1.903 58.058 56.287 -0.220 0.000 0.928 381 K CB -0.223 32.042 32.500 -0.392 0.000 0.713 381 K HN 0.569 nan 8.250 nan 0.000 0.442 382 E N 0.967 121.196 120.200 0.049 0.000 2.077 382 E HA -0.167 2.759 4.350 -2.373 0.000 0.193 382 E C 1.841 178.481 176.600 0.068 0.000 0.989 382 E CA 0.927 57.369 56.400 0.071 0.000 0.800 382 E CB 0.090 29.821 29.700 0.052 0.000 0.746 382 E HN 0.253 nan 8.360 nan 0.000 0.452 383 L N 0.408 121.659 121.223 0.046 0.000 2.492 383 L HA 0.122 3.039 4.340 -2.373 0.000 0.223 383 L C 0.741 177.628 176.870 0.029 0.000 1.132 383 L CA 0.240 55.090 54.840 0.016 0.000 0.850 383 L CB 0.317 42.356 42.059 -0.034 0.000 0.966 383 L HN 0.103 nan 8.230 nan 0.000 0.454 384 I N 0.560 121.180 120.570 0.083 0.000 2.862 384 I HA 0.171 2.918 4.170 -2.373 0.000 0.285 384 I C -1.782 174.477 176.117 0.236 0.000 1.339 384 I CA -1.038 60.333 61.300 0.118 0.000 1.002 384 I CB 1.277 39.343 38.000 0.111 0.000 1.618 384 I HN -0.163 nan 8.210 nan 0.000 0.593 385 P HA 0.006 nan 4.420 nan 0.000 0.227 385 P C 0.499 177.772 177.300 -0.044 0.000 1.161 385 P CA 1.063 64.259 63.100 0.160 0.000 0.788 385 P CB 0.478 32.233 31.700 0.092 0.000 0.822 386 D N -0.526 119.863 120.400 -0.017 0.000 2.363 386 D HA 0.021 3.238 4.640 -2.373 0.000 0.214 386 D C -0.085 176.190 176.300 -0.041 0.000 1.093 386 D CA 0.247 54.213 54.000 -0.056 0.000 0.837 386 D CB 0.323 41.114 40.800 -0.015 0.000 0.948 386 D HN 0.115 nan 8.370 nan 0.000 0.507 387 D N 0.806 121.202 120.400 -0.007 0.000 2.467 387 D HA 0.264 3.480 4.640 -2.373 0.000 0.220 387 D C 1.034 177.372 176.300 0.062 0.000 1.103 387 D CA -0.450 53.600 54.000 0.084 0.000 0.886 387 D CB 1.303 42.206 40.800 0.172 0.000 1.025 387 D HN -0.075 nan 8.370 nan 0.000 0.514 388 A N 3.741 126.561 122.820 -0.001 0.000 1.969 388 A HA -0.180 2.716 4.320 -2.373 0.000 0.218 388 A C 1.523 179.111 177.584 0.008 0.000 1.169 388 A CA 1.275 53.267 52.037 -0.075 0.000 0.635 388 A CB -0.556 18.347 19.000 -0.163 0.000 0.810 388 A HN 0.704 nan 8.150 nan 0.000 0.445 389 H N -1.203 117.953 119.070 0.143 0.000 2.423 389 H HA -0.005 3.127 4.556 -2.373 0.000 0.297 389 H C 1.870 177.386 175.328 0.313 0.000 1.075 389 H CA 1.371 57.539 56.048 0.200 0.000 1.342 389 H CB -0.125 29.715 29.762 0.130 0.000 1.395 389 H HN 0.425 nan 8.280 nan 0.000 0.530 390 L N 0.025 121.504 121.223 0.427 0.000 1.994 390 L HA -0.181 2.735 4.340 -2.373 0.000 0.208 390 L C 2.081 179.211 176.870 0.433 0.000 1.071 390 L CA 1.810 56.919 54.840 0.449 0.000 0.745 390 L CB -0.537 41.763 42.059 0.402 0.000 0.892 390 L HN 0.394 nan 8.230 nan 0.000 0.431 391 H N -0.793 118.400 119.070 0.204 0.000 2.352 391 H HA -0.178 2.954 4.556 -2.373 0.000 0.299 391 H C 2.326 177.724 175.328 0.117 0.000 1.097 391 H CA 1.577 57.707 56.048 0.137 0.000 1.311 391 H CB 0.077 29.891 29.762 0.085 0.000 1.377 391 H HN 0.347 nan 8.280 nan 0.000 0.504 392 R N 0.857 121.519 120.500 0.270 0.000 2.073 392 R HA -0.165 2.751 4.340 -2.373 0.000 0.234 392 R C 2.457 178.882 176.300 0.209 0.000 1.134 392 R CA 1.489 57.709 56.100 0.201 0.000 0.952 392 R CB -0.477 29.944 30.300 0.201 0.000 0.850 392 R HN 0.510 nan 8.270 nan 0.000 0.433 393 W N 1.478 122.860 121.300 0.137 0.000 2.335 393 W HA -0.231 3.006 4.660 -2.373 0.000 0.311 393 W C 1.440 177.936 176.519 -0.038 0.000 1.213 393 W CA 1.114 58.453 57.345 -0.011 0.000 1.274 393 W CB -0.371 29.098 29.460 0.015 0.000 1.148 393 W HN 0.149 nan 8.180 nan 0.000 0.498 394 L N 0.772 121.848 121.223 -0.245 0.000 2.083 394 L HA -0.234 2.682 4.340 -2.373 0.000 0.209 394 L C 2.351 179.036 176.870 -0.310 0.000 1.083 394 L CA 1.613 56.246 54.840 -0.345 0.000 0.752 394 L CB -1.004 41.031 42.059 -0.040 0.000 0.899 394 L HN -0.136 nan 8.230 nan 0.000 0.433 395 D N -0.317 119.973 120.400 -0.184 0.000 2.117 395 D HA -0.208 3.008 4.640 -2.373 0.000 0.197 395 D C 2.110 178.273 176.300 -0.229 0.000 0.987 395 D CA 1.246 55.149 54.000 -0.162 0.000 0.829 395 D CB -0.065 40.692 40.800 -0.071 0.000 0.961 395 D HN 0.153 nan 8.370 nan 0.000 0.460 396 M N 1.024 120.472 119.600 -0.254 0.000 2.117 396 M HA -0.076 2.981 4.480 -2.373 0.000 0.262 396 M C 1.951 177.973 176.300 -0.464 0.000 1.065 396 M CA 1.196 56.327 55.300 -0.282 0.000 1.114 396 M CB -0.398 32.086 32.600 -0.192 0.000 1.361 396 M HN 0.005 nan 8.290 nan 0.000 0.408 397 A N -0.451 121.900 122.820 -0.782 0.000 1.877 397 A HA -0.216 2.680 4.320 -2.373 0.000 0.216 397 A C 2.332 179.618 177.584 -0.498 0.000 1.186 397 A CA 2.013 53.540 52.037 -0.849 0.000 0.620 397 A CB -0.797 17.501 19.000 -1.170 0.000 0.822 397 A HN 0.551 nan 8.150 nan 0.000 0.443 398 R N 0.237 120.506 120.500 -0.386 0.000 2.105 398 R HA -0.202 2.714 4.340 -2.373 0.000 0.239 398 R C 2.144 178.269 176.300 -0.293 0.000 1.135 398 R CA 1.937 57.856 56.100 -0.300 0.000 0.967 398 R CB -0.220 29.887 30.300 -0.322 0.000 0.861 398 R HN 0.861 nan 8.270 nan 0.000 0.442 399 E N -1.258 118.782 120.200 -0.268 0.000 2.250 399 E HA -0.058 2.869 4.350 -2.373 0.000 0.192 399 E C 1.460 177.941 176.600 -0.199 0.000 0.986 399 E CA 0.207 56.481 56.400 -0.210 0.000 0.849 399 E CB 0.254 29.852 29.700 -0.171 0.000 0.797 399 E HN 0.087 nan 8.360 nan 0.000 0.482 400 R N 0.090 120.450 120.500 -0.233 0.000 2.394 400 R HA 0.377 3.294 4.340 -2.373 0.000 0.220 400 R C 0.117 176.286 176.300 -0.219 0.000 0.887 400 R CA -0.047 55.932 56.100 -0.203 0.000 1.034 400 R CB 0.654 30.847 30.300 -0.178 0.000 1.179 400 R HN 0.166 nan 8.270 nan 0.000 0.561 401 I N 1.371 121.773 120.570 -0.280 0.000 2.339 401 I HA 0.145 2.891 4.170 -2.373 0.000 0.290 401 I C -0.108 175.811 176.117 -0.331 0.000 0.994 401 I CA -0.048 61.096 61.300 -0.261 0.000 1.191 401 I CB 1.897 39.742 38.000 -0.258 0.000 1.343 401 I HN -0.211 nan 8.210 nan 0.000 0.458 402 S N 5.980 121.548 115.700 -0.221 0.000 2.513 402 S HA 0.456 3.502 4.470 -2.373 0.000 0.276 402 S C -0.210 174.298 174.600 -0.154 0.000 1.254 402 S CA -0.529 57.544 58.200 -0.212 0.000 1.053 402 S CB 0.307 63.461 63.200 -0.078 0.000 0.958 402 S HN 0.183 nan 8.310 nan 0.000 0.491 403 F N 2.322 122.252 119.950 -0.034 0.000 2.553 403 F HA 0.186 3.289 4.527 -2.373 0.000 0.356 403 F C 1.151 176.932 175.800 -0.032 0.000 1.142 403 F CA -0.084 57.885 58.000 -0.053 0.000 1.322 403 F CB 0.230 39.186 39.000 -0.074 0.000 1.126 403 F HN 0.443 nan 8.300 nan 0.000 0.599 404 Q N 1.183 121.092 119.800 0.180 0.000 2.310 404 Q HA 0.514 3.430 4.340 -2.373 0.000 0.270 404 Q C 0.514 176.553 176.000 0.064 0.000 1.025 404 Q CA -0.236 55.625 55.803 0.096 0.000 0.772 404 Q CB 2.098 30.872 28.738 0.060 0.000 1.253 404 Q HN 0.941 nan 8.270 nan 0.000 0.450 405 G N 1.948 110.783 108.800 0.058 0.000 2.574 405 G HA2 -0.324 2.213 3.960 -2.373 0.000 0.286 405 G HA3 -0.324 2.213 3.960 -2.373 0.000 0.286 405 G C -0.288 174.605 174.900 -0.012 0.000 1.212 405 G CA -0.554 44.566 45.100 0.034 0.000 0.979 405 G HN 0.544 nan 8.290 nan 0.000 0.557 406 L N 2.551 123.755 121.223 -0.031 0.000 2.513 406 L HA 0.267 3.184 4.340 -2.373 0.000 0.272 406 L C -1.733 175.005 176.870 -0.220 0.000 1.187 406 L CA -1.252 53.526 54.840 -0.102 0.000 0.895 406 L CB 0.427 42.455 42.059 -0.052 0.000 1.147 406 L HN 0.257 nan 8.230 nan 0.000 0.483 407 P HA 0.080 nan 4.420 nan 0.000 0.261 407 P C -0.766 176.157 177.300 -0.629 0.000 1.183 407 P CA 0.273 62.760 63.100 -1.023 0.000 0.761 407 P CB 0.780 31.589 31.700 -1.485 0.000 0.785 408 A N 3.340 125.912 122.820 -0.413 0.000 2.566 408 A HA 0.876 3.772 4.320 -2.373 0.000 0.292 408 A C -0.874 176.547 177.584 -0.272 0.000 1.112 408 A CA -0.629 51.222 52.037 -0.308 0.000 0.707 408 A CB 1.804 20.694 19.000 -0.183 0.000 1.302 408 A HN 0.425 nan 8.150 nan 0.000 0.409 409 R N 0.106 120.229 120.500 -0.628 0.000 2.698 409 R HA 0.764 3.680 4.340 -2.373 0.000 0.275 409 R C -1.963 173.962 176.300 -0.626 0.000 1.001 409 R CA -0.399 55.307 56.100 -0.656 0.000 0.896 409 R CB 1.161 30.861 30.300 -0.999 0.000 1.218 409 R HN 0.665 nan 8.270 nan 0.000 0.462 410 I N 2.350 122.853 120.570 -0.111 0.000 2.530 410 I HA 0.551 3.297 4.170 -2.373 0.000 0.297 410 I C -0.682 175.664 176.117 0.381 0.000 1.011 410 I CA -1.000 60.361 61.300 0.101 0.000 1.107 410 I CB 2.163 40.243 38.000 0.134 0.000 1.285 410 I HN 0.501 nan 8.210 nan 0.000 0.436 411 C N 4.642 124.234 119.300 0.486 0.000 2.880 411 C HA 0.465 3.501 4.460 -2.373 0.000 0.320 411 C C -1.368 173.921 174.990 0.498 0.000 1.176 411 C CA -0.568 58.803 59.018 0.588 0.000 1.390 411 C CB 1.438 29.682 27.740 0.839 0.000 1.846 411 C HN 0.759 nan 8.230 nan 0.000 0.478 412 W N 4.144 125.546 121.300 0.169 0.000 2.358 412 W HA 0.615 3.852 4.660 -2.373 0.000 0.307 412 W C -0.339 176.249 176.519 0.114 0.000 1.203 412 W CA -0.212 57.215 57.345 0.137 0.000 1.279 412 W CB 1.071 30.569 29.460 0.062 0.000 1.264 412 W HN 0.390 nan 8.180 nan 0.000 0.474 413 V N 3.742 123.760 119.914 0.174 0.000 2.760 413 V HA 0.808 3.505 4.120 -2.373 0.000 0.309 413 V C 0.380 176.454 176.094 -0.033 0.000 1.077 413 V CA -0.950 61.352 62.300 0.003 0.000 0.910 413 V CB 1.442 33.099 31.823 -0.276 0.000 1.008 413 V HN 0.587 nan 8.190 nan 0.000 0.424 414 G N 1.810 110.588 108.800 -0.037 0.000 2.642 414 G HA2 0.600 3.136 3.960 -2.373 0.000 0.291 414 G HA3 0.600 3.136 3.960 -2.373 0.000 0.291 414 G C -0.798 174.061 174.900 -0.070 0.000 1.345 414 G CA -0.960 44.121 45.100 -0.030 0.000 1.043 414 G HN 0.636 nan 8.290 nan 0.000 0.528 415 L N 0.720 121.913 121.223 -0.050 0.000 2.584 415 L HA 0.413 3.329 4.340 -2.373 0.000 0.272 415 L C 1.373 178.207 176.870 -0.060 0.000 1.195 415 L CA 2.298 57.105 54.840 -0.054 0.000 0.920 415 L CB 0.302 42.338 42.059 -0.038 0.000 1.173 415 L HN 1.388 nan 8.230 nan 0.000 0.489 416 G N 3.406 112.162 108.800 -0.074 0.000 2.850 416 G HA2 -0.290 2.246 3.960 -2.373 0.000 0.207 416 G HA3 -0.290 2.246 3.960 -2.373 0.000 0.207 416 G C 0.791 175.623 174.900 -0.115 0.000 1.302 416 G CA 0.155 45.209 45.100 -0.077 0.000 0.832 416 G HN 0.582 nan 8.290 nan 0.000 0.543 417 L N 0.994 122.134 121.223 -0.139 0.000 2.156 417 L HA 0.134 3.050 4.340 -2.373 0.000 0.208 417 L C 3.090 179.752 176.870 -0.346 0.000 1.095 417 L CA 1.355 56.072 54.840 -0.205 0.000 0.770 417 L CB -0.411 41.542 42.059 -0.177 0.000 0.914 417 L HN 0.263 nan 8.230 nan 0.000 0.439 418 R N 0.233 120.516 120.500 -0.362 0.000 2.080 418 R HA -0.194 2.723 4.340 -2.373 0.000 0.236 418 R C 2.433 178.551 176.300 -0.302 0.000 1.137 418 R CA 1.642 57.446 56.100 -0.493 0.000 0.943 418 R CB -0.594 29.582 30.300 -0.207 0.000 0.846 418 R HN 0.370 nan 8.270 nan 0.000 0.431 419 A N 1.344 124.058 122.820 -0.175 0.000 1.902 419 A HA -0.198 2.698 4.320 -2.373 0.000 0.217 419 A C 2.094 179.575 177.584 -0.171 0.000 1.181 419 A CA 1.445 53.407 52.037 -0.126 0.000 0.623 419 A CB -0.401 18.549 19.000 -0.083 0.000 0.818 419 A HN 0.240 nan 8.150 nan 0.000 0.443 420 K N -0.286 119.999 120.400 -0.192 0.000 2.044 420 K HA -0.144 2.752 4.320 -2.373 0.000 0.210 420 K C 1.911 178.342 176.600 -0.283 0.000 1.049 420 K CA 1.704 57.875 56.287 -0.193 0.000 0.927 420 K CB -0.339 32.061 32.500 -0.167 0.000 0.713 420 K HN 0.502 nan 8.250 nan 0.000 0.443 421 L N -0.367 120.595 121.223 -0.435 0.000 2.056 421 L HA -0.108 2.808 4.340 -2.373 0.000 0.207 421 L C 2.605 178.945 176.870 -0.882 0.000 1.078 421 L CA 1.413 55.820 54.840 -0.721 0.000 0.749 421 L CB -0.806 40.694 42.059 -0.932 0.000 0.901 421 L HN 0.444 nan 8.230 nan 0.000 0.433 422 G N 0.162 108.668 108.800 -0.491 0.000 2.418 422 G HA2 -0.203 2.333 3.960 -2.373 0.000 0.217 422 G HA3 -0.203 2.333 3.960 -2.373 0.000 0.217 422 G C 1.645 176.444 174.900 -0.168 0.000 1.158 422 G CA 0.477 45.414 45.100 -0.271 0.000 0.771 422 G HN 0.219 nan 8.290 nan 0.000 0.545 423 L N 0.579 121.711 121.223 -0.152 0.000 2.141 423 L HA 0.029 2.945 4.340 -2.373 0.000 0.209 423 L C 3.351 180.182 176.870 -0.064 0.000 1.094 423 L CA 0.847 55.638 54.840 -0.082 0.000 0.763 423 L CB -0.280 41.735 42.059 -0.073 0.000 0.908 423 L HN 0.296 nan 8.230 nan 0.000 0.437 424 A N -0.057 122.693 122.820 -0.116 0.000 1.898 424 A HA -0.179 2.718 4.320 -2.373 0.000 0.216 424 A C 2.042 179.693 177.584 0.111 0.000 1.181 424 A CA 1.285 53.300 52.037 -0.037 0.000 0.620 424 A CB -0.630 18.321 19.000 -0.081 0.000 0.819 424 A HN 0.269 nan 8.150 nan 0.000 0.442 425 F N 0.450 120.342 119.950 -0.096 0.000 2.134 425 F HA -0.145 2.958 4.527 -2.373 0.000 0.299 425 F C 2.176 177.928 175.800 -0.081 0.000 1.097 425 F CA 1.097 59.032 58.000 -0.109 0.000 1.264 425 F CB -1.487 37.417 39.000 -0.160 0.000 1.001 425 F HN 0.316 nan 8.300 nan 0.000 0.479 426 N N 0.376 119.151 118.700 0.126 0.000 2.104 426 N HA -0.194 3.122 4.740 -2.373 0.000 0.190 426 N C 1.667 177.192 175.510 0.025 0.000 1.024 426 N CA 1.555 54.633 53.050 0.046 0.000 0.853 426 N CB -0.166 38.335 38.487 0.023 0.000 1.008 426 N HN 0.344 nan 8.380 nan 0.000 0.424 427 E N -0.613 119.604 120.200 0.029 0.000 2.150 427 E HA -0.140 2.786 4.350 -2.373 0.000 0.193 427 E C 1.922 178.532 176.600 0.017 0.000 0.985 427 E CA 0.913 57.324 56.400 0.018 0.000 0.814 427 E CB -0.079 29.631 29.700 0.016 0.000 0.752 427 E HN 0.517 nan 8.360 nan 0.000 0.466 428 M N 0.239 119.857 119.600 0.031 0.000 2.175 428 M HA -0.135 2.921 4.480 -2.373 0.000 0.264 428 M C 2.354 178.642 176.300 -0.020 0.000 1.063 428 M CA 0.956 56.263 55.300 0.011 0.000 1.119 428 M CB -0.049 32.561 32.600 0.017 0.000 1.377 428 M HN -0.009 nan 8.290 nan 0.000 0.415 429 V N 0.180 120.075 119.914 -0.032 0.000 2.295 429 V HA -0.266 2.430 4.120 -2.373 0.000 0.246 429 V C 2.436 178.499 176.094 -0.051 0.000 1.049 429 V CA 1.848 64.105 62.300 -0.071 0.000 1.024 429 V CB -0.843 30.916 31.823 -0.106 0.000 0.648 429 V HN 0.473 nan 8.190 nan 0.000 0.447 430 R N 0.799 121.283 120.500 -0.027 0.000 2.096 430 R HA -0.200 2.716 4.340 -2.373 0.000 0.240 430 R C 2.489 178.785 176.300 -0.006 0.000 1.139 430 R CA 2.189 58.282 56.100 -0.012 0.000 0.952 430 R CB -0.401 29.899 30.300 -0.001 0.000 0.854 430 R HN 0.672 nan 8.270 nan 0.000 0.436 431 S N -1.496 114.201 115.700 -0.005 0.000 2.522 431 S HA 0.070 3.116 4.470 -2.373 0.000 0.227 431 S C 1.356 175.955 174.600 -0.003 0.000 0.986 431 S CA 0.785 58.985 58.200 -0.000 0.000 0.929 431 S CB 0.381 63.584 63.200 0.004 0.000 0.769 431 S HN 0.636 nan 8.310 nan 0.000 0.529 432 G N 0.952 109.744 108.800 -0.013 0.000 2.157 432 G HA2 -0.285 2.252 3.960 -2.373 0.000 0.248 432 G HA3 -0.285 2.252 3.960 -2.373 0.000 0.248 432 G C 0.595 175.485 174.900 -0.016 0.000 0.979 432 G CA 0.434 45.525 45.100 -0.015 0.000 0.650 432 G HN 0.500 nan 8.290 nan 0.000 0.529 433 E N -0.532 119.659 120.200 -0.014 0.000 2.070 433 E HA -0.063 2.863 4.350 -2.373 0.000 0.197 433 E C 1.206 177.788 176.600 -0.029 0.000 1.004 433 E CA 0.860 57.252 56.400 -0.013 0.000 0.805 433 E CB -0.063 29.634 29.700 -0.006 0.000 0.744 433 E HN 0.597 nan 8.360 nan 0.000 0.451 434 L N 0.994 122.187 121.223 -0.050 0.000 2.312 434 L HA 0.063 2.980 4.340 -2.373 0.000 0.281 434 L C 1.582 178.406 176.870 -0.077 0.000 1.070 434 L CA -0.333 54.461 54.840 -0.078 0.000 0.805 434 L CB 1.516 43.507 42.059 -0.113 0.000 1.174 434 L HN 0.064 nan 8.230 nan 0.000 0.434 435 S N 1.391 117.047 115.700 -0.072 0.000 2.515 435 S HA 0.218 3.264 4.470 -2.373 0.000 0.231 435 S C 0.546 175.102 174.600 -0.073 0.000 0.987 435 S CA 0.315 58.483 58.200 -0.052 0.000 0.936 435 S CB 0.067 63.247 63.200 -0.033 0.000 0.766 435 S HN 0.744 nan 8.310 nan 0.000 0.528 436 A N 0.501 123.234 122.820 -0.145 0.000 2.601 436 A HA 0.722 3.618 4.320 -2.373 0.000 0.291 436 A C -3.256 174.087 177.584 -0.401 0.000 1.075 436 A CA -1.716 50.150 52.037 -0.285 0.000 0.671 436 A CB 0.071 18.945 19.000 -0.210 0.000 1.277 436 A HN 0.144 nan 8.150 nan 0.000 0.417 437 P HA 0.270 nan 4.420 nan 0.000 0.267 437 P C -0.310 176.818 177.300 -0.288 0.000 1.195 437 P CA 0.200 62.975 63.100 -0.542 0.000 0.773 437 P CB 0.378 31.565 31.700 -0.855 0.000 0.837 438 V N 0.044 119.875 119.914 -0.139 0.000 2.715 438 V HA 0.715 3.411 4.120 -2.373 0.000 0.310 438 V C -0.143 175.979 176.094 0.047 0.000 1.054 438 V CA -1.144 61.141 62.300 -0.026 0.000 0.928 438 V CB 1.828 33.646 31.823 -0.008 0.000 1.007 438 V HN 0.387 nan 8.190 nan 0.000 0.437 439 V N 1.634 121.607 119.914 0.098 0.000 2.532 439 V HA 0.715 3.411 4.120 -2.373 0.000 0.295 439 V C -0.239 175.903 176.094 0.081 0.000 1.041 439 V CA -0.566 61.791 62.300 0.096 0.000 0.926 439 V CB 1.218 33.133 31.823 0.154 0.000 0.992 439 V HN 0.825 nan 8.190 nan 0.000 0.457 440 I N 4.166 124.729 120.570 -0.011 0.000 2.389 440 I HA 0.811 3.557 4.170 -2.373 0.000 0.288 440 I C 0.731 176.733 176.117 -0.191 0.000 0.999 440 I CA 0.072 61.312 61.300 -0.101 0.000 1.129 440 I CB 1.551 39.461 38.000 -0.151 0.000 1.288 440 I HN 0.998 nan 8.210 nan 0.000 0.444 441 G N 5.446 114.127 108.800 -0.199 0.000 3.137 441 G HA2 0.846 3.382 3.960 -2.373 0.000 0.196 441 G HA3 0.846 3.382 3.960 -2.373 0.000 0.196 441 G C -1.260 173.546 174.900 -0.157 0.000 1.135 441 G CA -0.622 44.361 45.100 -0.196 0.000 0.803 441 G HN 0.649 nan 8.290 nan 0.000 0.619 442 R N -0.906 119.542 120.500 -0.087 0.000 2.828 442 R HA 0.368 3.285 4.340 -2.373 0.000 0.280 442 R C -1.914 174.405 176.300 0.032 0.000 1.020 442 R CA -0.830 55.241 56.100 -0.049 0.000 0.855 442 R CB 0.478 30.731 30.300 -0.080 0.000 1.278 442 R HN 0.473 nan 8.270 nan 0.000 0.495 443 D N 0.048 120.478 120.400 0.049 0.000 2.364 443 D HA 0.013 3.229 4.640 -2.373 0.000 0.236 443 D C 0.542 176.945 176.300 0.172 0.000 1.221 443 D CA 0.170 54.239 54.000 0.115 0.000 0.891 443 D CB 0.536 41.390 40.800 0.090 0.000 1.190 443 D HN 0.627 nan 8.370 nan 0.000 0.449 444 H N 0.643 119.709 119.070 -0.007 0.000 2.559 444 H HA 0.053 3.185 4.556 -2.375 0.000 0.273 444 H C 0.148 175.463 175.328 -0.023 0.000 1.000 444 H CA -0.052 55.993 56.048 -0.007 0.000 1.195 444 H CB 0.325 30.126 29.762 0.064 0.000 1.368 444 H HN 0.071 nan 8.280 nan 0.000 0.592 445 L N 2.495 123.783 121.223 0.108 0.000 2.375 445 L HA 0.154 3.070 4.340 -2.373 0.000 0.276 445 L C -0.395 176.486 176.870 0.018 0.000 1.162 445 L CA -0.268 54.634 54.840 0.103 0.000 0.991 445 L CB 0.066 42.236 42.059 0.185 0.000 1.315 445 L HN 0.148 nan 8.230 nan 0.000 0.431 446 D N -0.434 119.846 120.400 -0.200 0.000 2.592 446 D HA 0.182 3.398 4.640 -2.373 0.000 0.263 446 D C 0.816 176.542 176.300 -0.956 0.000 1.132 446 D CA -0.465 53.215 54.000 -0.534 0.000 0.996 446 D CB 2.122 42.731 40.800 -0.319 0.000 1.442 446 D HN 0.007 nan 8.370 nan 0.000 0.486 447 S N -0.093 114.865 115.700 -1.237 0.000 2.374 447 S HA -0.084 2.963 4.470 -2.373 0.000 0.227 447 S C 1.558 175.941 174.600 -0.362 0.000 1.037 447 S CA 2.054 59.643 58.200 -1.017 0.000 1.024 447 S CB -0.394 62.467 63.200 -0.564 0.000 0.861 447 S HN 0.545 nan 8.310 nan 0.000 0.456 448 G N -0.650 107.995 108.800 -0.257 0.000 3.453 448 G HA2 0.288 2.824 3.960 -2.373 0.000 0.263 448 G HA3 0.288 2.824 3.960 -2.373 0.000 0.263 448 G C 0.728 175.598 174.900 -0.050 0.000 1.060 448 G CA 0.522 45.554 45.100 -0.114 0.000 0.793 448 G HN 0.602 nan 8.290 nan 0.000 0.532 449 S N -1.326 114.322 115.700 -0.087 0.000 2.701 449 S HA 0.470 3.516 4.470 -2.373 0.000 0.242 449 S C -0.172 174.461 174.600 0.055 0.000 1.025 449 S CA -0.283 57.897 58.200 -0.034 0.000 1.016 449 S CB 1.032 64.174 63.200 -0.097 0.000 0.977 449 S HN 0.385 nan 8.310 nan 0.000 0.546 450 V N 1.069 121.025 119.914 0.070 0.000 2.851 450 V HA 0.720 3.416 4.120 -2.373 0.000 0.307 450 V C -1.645 174.541 176.094 0.154 0.000 1.129 450 V CA -0.258 62.137 62.300 0.159 0.000 0.932 450 V CB 2.208 34.119 31.823 0.146 0.000 1.024 450 V HN 0.324 nan 8.190 nan 0.000 0.426 451 S N 4.133 119.952 115.700 0.199 0.000 2.552 451 S HA 0.708 3.754 4.470 -2.373 0.000 0.314 451 S C -0.522 174.198 174.600 0.200 0.000 1.099 451 S CA -0.388 57.922 58.200 0.183 0.000 1.070 451 S CB 1.429 64.743 63.200 0.190 0.000 0.998 451 S HN 1.003 nan 8.310 nan 0.000 0.474 452 S N 3.787 119.593 115.700 0.177 0.000 2.417 452 S HA 0.370 3.417 4.470 -2.373 0.000 0.189 452 S C -2.613 172.086 174.600 0.165 0.000 1.005 452 S CA -0.988 57.328 58.200 0.194 0.000 1.116 452 S CB 0.578 63.894 63.200 0.193 0.000 1.343 452 S HN 0.275 nan 8.310 nan 0.000 0.406 453 P HA -0.010 nan 4.420 nan 0.000 0.221 453 P C 0.804 178.184 177.300 0.134 0.000 1.145 453 P CA 0.930 64.112 63.100 0.138 0.000 0.795 453 P CB 0.095 31.880 31.700 0.141 0.000 0.775 454 N N -1.647 117.150 118.700 0.162 0.000 2.336 454 N HA 0.088 3.404 4.740 -2.373 0.000 0.189 454 N C 1.230 176.807 175.510 0.112 0.000 1.113 454 N CA 0.400 53.528 53.050 0.129 0.000 0.858 454 N CB 0.352 38.900 38.487 0.101 0.000 0.970 454 N HN 0.216 nan 8.380 nan 0.000 0.471 455 R N 0.056 120.622 120.500 0.109 0.000 2.727 455 R HA 0.202 3.119 4.340 -2.373 0.000 0.105 455 R C 0.831 177.150 176.300 0.031 0.000 1.231 455 R CA -0.245 55.904 56.100 0.082 0.000 1.026 455 R CB -0.034 30.341 30.300 0.125 0.000 0.891 455 R HN -0.146 nan 8.270 nan 0.000 0.392 456 E N 0.963 121.207 120.200 0.072 0.000 2.268 456 E HA -0.079 2.847 4.350 -2.373 0.000 0.195 456 E C 0.930 177.592 176.600 0.104 0.000 0.995 456 E CA 1.581 58.035 56.400 0.089 0.000 0.836 456 E CB 0.069 29.889 29.700 0.201 0.000 0.763 456 E HN 0.478 nan 8.360 nan 0.000 0.491 457 T N -2.107 112.504 114.554 0.094 0.000 3.248 457 T HA 0.154 3.080 4.350 -2.373 0.000 0.271 457 T C 0.294 175.033 174.700 0.065 0.000 1.005 457 T CA -0.552 61.594 62.100 0.078 0.000 0.902 457 T CB 0.073 68.986 68.868 0.075 0.000 1.102 457 T HN -0.077 nan 8.240 nan 0.000 0.548 458 E N 1.724 121.955 120.200 0.051 0.000 2.415 458 E HA 0.341 3.267 4.350 -2.373 0.000 0.263 458 E C 0.614 177.236 176.600 0.037 0.000 0.995 458 E CA 0.537 56.965 56.400 0.047 0.000 0.915 458 E CB 0.370 30.097 29.700 0.044 0.000 0.951 458 E HN 0.642 nan 8.360 nan 0.000 0.449 459 A N 5.091 127.930 122.820 0.031 0.000 2.687 459 A HA -0.183 2.714 4.320 -2.373 0.000 0.299 459 A C 0.370 177.992 177.584 0.064 0.000 1.497 459 A CA 0.688 52.739 52.037 0.024 0.000 0.751 459 A CB -1.358 17.650 19.000 0.013 0.000 1.048 459 A HN 0.530 nan 8.150 nan 0.000 0.464 460 M N 0.098 119.743 119.600 0.075 0.000 2.248 460 M HA 0.034 3.091 4.480 -2.373 0.000 0.345 460 M C 1.845 178.181 176.300 0.060 0.000 1.243 460 M CA 0.815 56.191 55.300 0.125 0.000 1.090 460 M CB -0.012 32.636 32.600 0.080 0.000 1.683 460 M HN 0.692 nan 8.290 nan 0.000 0.450 461 R N 1.743 122.254 120.500 0.019 0.000 2.193 461 R HA -0.152 2.764 4.340 -2.373 0.000 0.229 461 R C 0.502 176.725 176.300 -0.128 0.000 1.110 461 R CA 1.807 57.825 56.100 -0.135 0.000 0.988 461 R CB -0.380 29.671 30.300 -0.417 0.000 0.871 461 R HN 0.676 nan 8.270 nan 0.000 0.458 462 D N -0.785 119.554 120.400 -0.102 0.000 2.369 462 D HA 0.103 3.319 4.640 -2.373 0.000 0.211 462 D C 1.038 177.324 176.300 -0.024 0.000 1.077 462 D CA 0.407 54.367 54.000 -0.067 0.000 0.842 462 D CB 0.396 41.159 40.800 -0.062 0.000 0.947 462 D HN 0.378 nan 8.370 nan 0.000 0.509 463 G N 0.836 109.629 108.800 -0.012 0.000 2.143 463 G HA2 -0.326 2.211 3.960 -2.373 0.000 0.249 463 G HA3 -0.326 2.211 3.960 -2.373 0.000 0.249 463 G C 0.839 175.753 174.900 0.024 0.000 0.981 463 G CA 0.639 45.740 45.100 0.001 0.000 0.665 463 G HN 0.701 nan 8.290 nan 0.000 0.528 464 S N -0.118 115.607 115.700 0.041 0.000 2.710 464 S HA 0.220 3.266 4.470 -2.373 0.000 0.224 464 S C 1.481 176.136 174.600 0.091 0.000 0.948 464 S CA 0.843 59.091 58.200 0.079 0.000 0.949 464 S CB 0.171 63.445 63.200 0.124 0.000 0.778 464 S HN 0.282 nan 8.310 nan 0.000 0.498 465 D N 3.536 123.976 120.400 0.067 0.000 2.248 465 D HA -0.203 3.013 4.640 -2.373 0.000 0.189 465 D C 1.818 178.176 176.300 0.097 0.000 1.011 465 D CA 2.146 56.191 54.000 0.074 0.000 0.868 465 D CB -0.600 40.238 40.800 0.063 0.000 0.931 465 D HN 0.684 nan 8.370 nan 0.000 0.449 466 A N 0.096 122.968 122.820 0.087 0.000 2.251 466 A HA 0.200 3.096 4.320 -2.373 0.000 0.209 466 A C 0.655 178.293 177.584 0.090 0.000 1.187 466 A CA -0.176 51.911 52.037 0.084 0.000 0.823 466 A CB 0.216 19.248 19.000 0.053 0.000 0.846 466 A HN 0.073 nan 8.150 nan 0.000 0.486 467 V N 2.292 122.282 119.914 0.126 0.000 2.450 467 V HA 0.074 2.771 4.120 -2.373 0.000 0.281 467 V C 1.253 177.448 176.094 0.168 0.000 1.019 467 V CA 0.973 63.350 62.300 0.129 0.000 1.062 467 V CB 0.591 32.534 31.823 0.200 0.000 0.979 467 V HN 0.598 nan 8.190 nan 0.000 0.477 468 S N 1.103 116.840 115.700 0.061 0.000 2.568 468 S HA 0.066 3.112 4.470 -2.373 0.000 0.232 468 S C 0.956 175.540 174.600 -0.027 0.000 0.975 468 S CA -0.404 57.838 58.200 0.069 0.000 0.949 468 S CB 0.035 63.270 63.200 0.059 0.000 0.829 468 S HN 0.702 nan 8.310 nan 0.000 0.479 469 D N 2.181 122.468 120.400 -0.189 0.000 2.158 469 D HA -0.135 3.081 4.640 -2.373 0.000 0.197 469 D C 1.063 177.203 176.300 -0.267 0.000 0.995 469 D CA 1.279 55.082 54.000 -0.329 0.000 0.846 469 D CB -0.272 40.172 40.800 -0.592 0.000 0.941 469 D HN 0.631 nan 8.370 nan 0.000 0.456 470 W N 1.473 122.762 121.300 -0.019 0.000 2.353 470 W HA -0.099 3.138 4.660 -2.372 0.000 0.319 470 W C -0.321 176.182 176.519 -0.027 0.000 1.207 470 W CA 0.680 58.009 57.345 -0.026 0.000 1.291 470 W CB -1.900 27.539 29.460 -0.034 0.000 1.159 470 W HN 0.137 nan 8.180 nan 0.000 0.478 471 P HA -0.153 nan 4.420 nan 0.000 0.218 471 P C 1.485 178.809 177.300 0.039 0.000 1.148 471 P CA 1.372 64.532 63.100 0.100 0.000 0.822 471 P CB -0.111 31.651 31.700 0.104 0.000 0.784 472 L N -0.806 120.428 121.223 0.020 0.000 2.027 472 L HA -0.100 2.816 4.340 -2.373 0.000 0.206 472 L C 2.821 179.679 176.870 -0.020 0.000 1.074 472 L CA 1.607 56.438 54.840 -0.016 0.000 0.745 472 L CB -1.778 40.257 42.059 -0.040 0.000 0.898 472 L HN -0.126 nan 8.230 nan 0.000 0.433 473 L N -0.476 120.734 121.223 -0.020 0.000 2.042 473 L HA -0.251 2.665 4.340 -2.373 0.000 0.210 473 L C 2.473 179.352 176.870 0.015 0.000 1.076 473 L CA 1.436 56.270 54.840 -0.010 0.000 0.749 473 L CB -0.708 41.343 42.059 -0.012 0.000 0.893 473 L HN 0.491 nan 8.230 nan 0.000 0.432 474 N N 0.587 119.309 118.700 0.035 0.000 2.104 474 N HA -0.218 3.098 4.740 -2.373 0.000 0.190 474 N C 1.818 177.314 175.510 -0.023 0.000 1.024 474 N CA 1.737 54.794 53.050 0.012 0.000 0.853 474 N CB 0.124 38.616 38.487 0.008 0.000 1.008 474 N HN 0.338 nan 8.380 nan 0.000 0.424 475 A N 1.542 124.343 122.820 -0.032 0.000 1.873 475 A HA -0.022 2.874 4.320 -2.373 0.000 0.215 475 A C 2.545 180.111 177.584 -0.030 0.000 1.186 475 A CA 0.795 52.805 52.037 -0.046 0.000 0.616 475 A CB -0.734 18.238 19.000 -0.046 0.000 0.823 475 A HN 0.329 nan 8.150 nan 0.000 0.442 476 L N -1.058 120.152 121.223 -0.022 0.000 2.042 476 L HA -0.182 2.734 4.340 -2.373 0.000 0.210 476 L C 2.550 179.414 176.870 -0.010 0.000 1.076 476 L CA 1.216 56.046 54.840 -0.017 0.000 0.749 476 L CB -0.515 41.532 42.059 -0.021 0.000 0.893 476 L HN 0.454 nan 8.230 nan 0.000 0.432 477 L N -0.086 121.132 121.223 -0.007 0.000 2.109 477 L HA -0.118 2.798 4.340 -2.373 0.000 0.207 477 L C 2.165 179.031 176.870 -0.006 0.000 1.086 477 L CA 1.655 56.494 54.840 -0.001 0.000 0.760 477 L CB -0.733 41.329 42.059 0.006 0.000 0.910 477 L HN 0.221 nan 8.230 nan 0.000 0.437 478 N N -1.069 117.620 118.700 -0.019 0.000 2.331 478 N HA -0.105 3.211 4.740 -2.373 0.000 0.180 478 N C 1.609 177.110 175.510 -0.016 0.000 1.019 478 N CA 1.529 54.563 53.050 -0.028 0.000 0.881 478 N CB -0.248 38.205 38.487 -0.056 0.000 0.972 478 N HN 0.404 nan 8.380 nan 0.000 0.435 479 T N 0.731 115.279 114.554 -0.010 0.000 2.737 479 T HA -0.007 2.920 4.350 -2.373 0.000 0.265 479 T C 1.992 176.702 174.700 0.017 0.000 1.038 479 T CA 1.255 63.355 62.100 0.000 0.000 1.144 479 T CB -0.250 68.617 68.868 -0.002 0.000 0.866 479 T HN 0.291 nan 8.240 nan 0.000 0.434 480 A N 1.269 124.102 122.820 0.022 0.000 1.972 480 A HA 0.150 3.047 4.320 -2.373 0.000 0.219 480 A C 2.549 180.161 177.584 0.047 0.000 1.169 480 A CA 1.724 53.786 52.037 0.041 0.000 0.635 480 A CB -1.148 17.869 19.000 0.027 0.000 0.810 480 A HN 0.516 nan 8.150 nan 0.000 0.446 481 G N -1.736 107.081 108.800 0.028 0.000 2.464 481 G HA2 0.333 2.869 3.960 -2.373 0.000 0.217 481 G HA3 0.333 2.869 3.960 -2.373 0.000 0.217 481 G C 1.059 175.979 174.900 0.033 0.000 1.138 481 G CA 0.721 45.836 45.100 0.025 0.000 0.793 481 G HN 1.709 nan 8.290 nan 0.000 0.539 482 G N -1.197 107.622 108.800 0.030 0.000 2.155 482 G HA2 0.287 2.823 3.960 -2.373 0.000 0.135 482 G HA3 0.287 2.823 3.960 -2.373 0.000 0.135 482 G C 0.283 175.196 174.900 0.022 0.000 1.023 482 G CA 0.070 45.192 45.100 0.037 0.000 0.688 482 G HN 1.136 nan 8.290 nan 0.000 0.499 483 A N -0.211 122.609 122.820 -0.000 0.000 2.466 483 A HA 0.664 3.561 4.320 -2.373 0.000 0.238 483 A C 1.637 179.235 177.584 0.023 0.000 1.074 483 A CA 1.399 53.420 52.037 -0.026 0.000 0.774 483 A CB 0.299 19.255 19.000 -0.075 0.000 1.015 483 A HN 0.748 nan 8.150 nan 0.000 0.498 484 T N 0.528 115.104 114.554 0.035 0.000 2.812 484 T HA 0.051 2.977 4.350 -2.373 0.000 0.264 484 T C 0.250 175.189 174.700 0.398 0.000 1.042 484 T CA 1.873 64.100 62.100 0.213 0.000 1.140 484 T CB -0.293 68.761 68.868 0.311 0.000 0.870 484 T HN 0.850 nan 8.240 nan 0.000 0.445 485 W N -0.353 120.975 121.300 0.048 0.000 3.127 485 W HA 0.727 3.962 4.660 -2.375 0.000 0.330 485 W C -2.100 174.408 176.519 -0.017 0.000 1.187 485 W CA -1.257 56.101 57.345 0.023 0.000 1.198 485 W CB 1.185 30.672 29.460 0.045 0.000 1.408 485 W HN -0.326 nan 8.180 nan 0.000 0.529 486 V N 2.657 122.645 119.914 0.124 0.000 2.789 486 V HA 0.709 3.406 4.120 -2.373 0.000 0.311 486 V C -0.609 175.495 176.094 0.016 0.000 1.073 486 V CA -0.804 61.489 62.300 -0.011 0.000 0.921 486 V CB 1.922 33.734 31.823 -0.018 0.000 1.009 486 V HN 0.670 nan 8.190 nan 0.000 0.426 487 S N 4.264 119.930 115.700 -0.056 0.000 2.536 487 S HA 0.776 3.822 4.470 -2.373 0.000 0.287 487 S C -0.999 173.574 174.600 -0.046 0.000 1.101 487 S CA -0.584 57.606 58.200 -0.016 0.000 0.950 487 S CB 1.763 64.940 63.200 -0.038 0.000 1.056 487 S HN 0.535 nan 8.310 nan 0.000 0.481 488 L N 3.251 124.525 121.223 0.084 0.000 2.343 488 L HA 0.541 3.458 4.340 -2.373 0.000 0.278 488 L C -0.480 176.535 176.870 0.241 0.000 0.996 488 L CA -0.398 54.487 54.840 0.076 0.000 0.831 488 L CB 1.271 43.347 42.059 0.028 0.000 1.232 488 L HN 0.683 nan 8.230 nan 0.000 0.413 489 H N 1.637 120.650 119.070 -0.095 0.000 2.731 489 H HA 0.441 3.574 4.556 -2.371 0.000 0.368 489 H C -1.315 173.839 175.328 -0.291 0.000 1.168 489 H CA -0.858 55.101 56.048 -0.148 0.000 1.181 489 H CB 2.961 32.669 29.762 -0.089 0.000 1.743 489 H HN 0.554 nan 8.280 nan 0.000 0.547 490 H N -0.202 118.823 119.070 -0.074 0.000 2.600 490 H HA 0.298 3.435 4.556 -2.364 0.000 0.357 490 H C 0.438 175.868 175.328 0.170 0.000 1.106 490 H CA 0.217 56.259 56.048 -0.011 0.000 1.193 490 H CB 1.524 31.290 29.762 0.006 0.000 1.594 490 H HN 1.026 nan 8.280 nan 0.000 0.526 491 G N 3.108 111.834 108.800 -0.124 0.000 2.157 491 G HA2 -0.245 2.291 3.960 -2.373 0.000 0.248 491 G HA3 -0.245 2.291 3.960 -2.373 0.000 0.248 491 G C 0.590 175.695 174.900 0.342 0.000 0.979 491 G CA 0.083 45.090 45.100 -0.155 0.000 0.650 491 G HN 0.976 nan 8.290 nan 0.000 0.529 492 G N -1.087 108.049 108.800 0.559 0.000 2.432 492 G HA2 0.515 3.051 3.960 -2.373 0.000 0.239 492 G HA3 0.515 3.051 3.960 -2.373 0.000 0.239 492 G C 1.568 176.584 174.900 0.193 0.000 1.291 492 G CA 1.579 46.861 45.100 0.303 0.000 0.863 492 G HN 1.819 nan 8.290 nan 0.000 0.560 493 G N 0.373 109.294 108.800 0.202 0.000 3.548 493 G HA2 -0.323 2.213 3.960 -2.373 0.000 0.224 493 G HA3 -0.323 2.213 3.960 -2.373 0.000 0.224 493 G C 1.414 176.426 174.900 0.187 0.000 1.351 493 G CA 1.446 46.654 45.100 0.179 0.000 0.905 493 G HN 1.947 nan 8.290 nan 0.000 0.561 494 V N -1.040 118.993 119.914 0.198 0.000 3.660 494 V HA 0.639 3.335 4.120 -2.373 0.000 0.276 494 V C 1.465 177.680 176.094 0.202 0.000 1.317 494 V CA 0.834 63.224 62.300 0.150 0.000 1.097 494 V CB -0.317 31.595 31.823 0.148 0.000 0.863 494 V HN 2.522 nan 8.190 nan 0.000 0.438 495 G N 0.438 109.404 108.800 0.277 0.000 2.661 495 G HA2 -0.095 2.442 3.960 -2.373 0.000 0.685 495 G HA3 -0.095 2.442 3.960 -2.373 0.000 0.685 495 G C -0.565 174.263 174.900 -0.119 0.000 1.298 495 G CA -0.501 44.742 45.100 0.239 0.000 0.855 495 G HN 0.231 nan 8.290 nan 0.000 0.560 496 M N 1.162 120.268 119.600 -0.822 0.000 2.286 496 M HA 0.285 3.341 4.480 -2.373 0.000 0.365 496 M C 1.810 178.006 176.300 -0.173 0.000 1.443 496 M CA 2.099 56.920 55.300 -0.797 0.000 0.951 496 M CB -0.738 31.165 32.600 -1.161 0.000 1.961 496 M HN 2.553 nan 8.290 nan 0.000 0.468 497 G N 2.999 111.855 108.800 0.093 0.000 2.213 497 G HA2 -0.277 2.260 3.960 -2.373 0.000 0.236 497 G HA3 -0.277 2.260 3.960 -2.373 0.000 0.236 497 G C 0.385 175.096 174.900 -0.314 0.000 0.991 497 G CA -0.077 44.975 45.100 -0.080 0.000 0.629 497 G HN 0.609 nan 8.290 nan 0.000 0.517 498 F N 1.906 121.919 119.950 0.104 0.000 2.728 498 F HA 0.484 3.592 4.527 -2.365 0.000 0.314 498 F C 1.215 177.103 175.800 0.147 0.000 1.094 498 F CA 0.621 58.685 58.000 0.108 0.000 1.217 498 F CB 1.120 40.172 39.000 0.087 0.000 1.056 498 F HN 0.457 nan 8.300 nan 0.000 0.577 499 S N -0.631 115.258 115.700 0.315 0.000 2.550 499 S HA 0.697 3.744 4.470 -2.373 0.000 0.270 499 S C -1.174 173.650 174.600 0.374 0.000 1.145 499 S CA -0.818 57.587 58.200 0.341 0.000 0.852 499 S CB 2.500 65.930 63.200 0.383 0.000 1.119 499 S HN 0.087 nan 8.310 nan 0.000 0.465 500 Q N 0.623 120.621 119.800 0.331 0.000 2.331 500 Q HA 0.645 3.562 4.340 -2.373 0.000 0.272 500 Q C -1.554 174.589 176.000 0.239 0.000 1.062 500 Q CA -0.676 55.248 55.803 0.201 0.000 0.806 500 Q CB 2.248 31.062 28.738 0.127 0.000 1.312 500 Q HN 0.992 nan 8.270 nan 0.000 0.431 501 H N -1.827 117.356 119.070 0.189 0.000 3.042 501 H HA 0.691 3.824 4.556 -2.370 0.000 0.346 501 H C -1.310 174.046 175.328 0.047 0.000 1.294 501 H CA -1.073 55.062 56.048 0.145 0.000 1.141 501 H CB 1.216 31.110 29.762 0.220 0.000 1.872 501 H HN 0.528 nan 8.280 nan 0.000 0.541 502 S N 0.908 116.579 115.700 -0.048 0.000 2.566 502 S HA 0.879 3.925 4.470 -2.373 0.000 0.298 502 S C -0.042 174.102 174.600 -0.760 0.000 1.083 502 S CA -0.367 57.648 58.200 -0.309 0.000 0.978 502 S CB 1.932 65.037 63.200 -0.158 0.000 1.073 502 S HN 1.192 nan 8.310 nan 0.000 0.491 503 G N 0.432 108.718 108.800 -0.855 0.000 2.537 503 G HA2 0.737 3.273 3.960 -2.373 0.000 0.308 503 G HA3 0.737 3.273 3.960 -2.373 0.000 0.308 503 G C -0.966 173.731 174.900 -0.339 0.000 1.237 503 G CA -1.067 43.609 45.100 -0.708 0.000 0.968 503 G HN 1.151 nan 8.290 nan 0.000 0.481 504 M N -0.269 119.158 119.600 -0.287 0.000 2.465 504 M HA 0.786 3.842 4.480 -2.373 0.000 0.284 504 M C -1.770 174.274 176.300 -0.427 0.000 1.212 504 M CA -0.901 54.215 55.300 -0.307 0.000 0.910 504 M CB 1.974 34.447 32.600 -0.212 0.000 1.725 504 M HN 0.451 nan 8.290 nan 0.000 0.477 505 V N 3.217 122.723 119.914 -0.680 0.000 2.841 505 V HA 0.737 3.433 4.120 -2.373 0.000 0.310 505 V C -1.246 174.495 176.094 -0.588 0.000 1.090 505 V CA -0.610 61.203 62.300 -0.812 0.000 0.930 505 V CB 2.072 32.928 31.823 -1.612 0.000 1.014 505 V HN 1.016 nan 8.190 nan 0.000 0.425 506 I N 3.221 123.597 120.570 -0.324 0.000 2.533 506 I HA 0.637 3.384 4.170 -2.373 0.000 0.290 506 I C -0.851 175.245 176.117 -0.036 0.000 1.056 506 I CA -0.820 60.402 61.300 -0.131 0.000 1.057 506 I CB 2.019 39.974 38.000 -0.075 0.000 1.240 506 I HN 0.513 nan 8.210 nan 0.000 0.423 507 V N 7.656 127.607 119.914 0.063 0.000 2.498 507 V HA 0.293 2.989 4.120 -2.373 0.000 0.279 507 V C -0.442 175.689 176.094 0.061 0.000 1.048 507 V CA -0.170 62.193 62.300 0.105 0.000 0.967 507 V CB 1.034 32.982 31.823 0.208 0.000 0.988 507 V HN 0.901 nan 8.190 nan 0.000 0.473 508 C N 6.762 126.082 119.300 0.032 0.000 2.135 508 C HA 0.384 3.420 4.460 -2.373 0.000 0.345 508 C C 0.938 175.896 174.990 -0.053 0.000 1.067 508 C CA -0.647 58.378 59.018 0.012 0.000 1.517 508 C CB -0.990 26.775 27.740 0.042 0.000 1.923 508 C HN 0.971 nan 8.230 nan 0.000 0.466 509 D N 0.499 120.875 120.400 -0.040 0.000 2.340 509 D HA 0.193 3.409 4.640 -2.373 0.000 0.217 509 D C 1.522 177.776 176.300 -0.078 0.000 1.081 509 D CA 0.552 54.485 54.000 -0.111 0.000 0.842 509 D CB -0.120 40.683 40.800 0.004 0.000 0.934 509 D HN 0.770 nan 8.370 nan 0.000 0.511 510 G N 0.288 109.064 108.800 -0.040 0.000 2.179 510 G HA2 -0.288 2.248 3.960 -2.373 0.000 0.260 510 G HA3 -0.288 2.248 3.960 -2.373 0.000 0.260 510 G C 0.536 175.440 174.900 0.006 0.000 0.977 510 G CA 0.644 45.731 45.100 -0.021 0.000 0.641 510 G HN 0.808 nan 8.290 nan 0.000 0.533 511 T N -1.886 112.680 114.554 0.021 0.000 2.882 511 T HA 0.538 3.464 4.350 -2.373 0.000 0.287 511 T C 0.997 175.714 174.700 0.029 0.000 1.014 511 T CA 0.360 62.480 62.100 0.034 0.000 1.049 511 T CB 1.444 70.344 68.868 0.053 0.000 1.001 511 T HN -0.083 nan 8.240 nan 0.000 0.525 512 D N 0.861 121.278 120.400 0.028 0.000 2.178 512 D HA -0.048 3.168 4.640 -2.373 0.000 0.201 512 D C 1.899 178.216 176.300 0.028 0.000 0.980 512 D CA 1.178 55.192 54.000 0.024 0.000 0.842 512 D CB -0.120 40.693 40.800 0.022 0.000 0.948 512 D HN 0.745 nan 8.370 nan 0.000 0.472 513 E N 0.692 120.914 120.200 0.038 0.000 2.106 513 E HA -0.032 2.894 4.350 -2.373 0.000 0.192 513 E C 2.062 178.690 176.600 0.046 0.000 0.984 513 E CA 1.114 57.541 56.400 0.045 0.000 0.806 513 E CB -0.247 29.487 29.700 0.056 0.000 0.750 513 E HN 0.234 nan 8.360 nan 0.000 0.458 514 A N 1.107 123.955 122.820 0.047 0.000 1.898 514 A HA -0.060 2.836 4.320 -2.373 0.000 0.216 514 A C 2.379 179.980 177.584 0.029 0.000 1.181 514 A CA 1.664 53.727 52.037 0.044 0.000 0.620 514 A CB -0.857 18.170 19.000 0.046 0.000 0.819 514 A HN 0.283 nan 8.150 nan 0.000 0.442 515 A N -0.021 122.812 122.820 0.021 0.000 1.908 515 A HA -0.232 2.664 4.320 -2.373 0.000 0.218 515 A C 1.927 179.516 177.584 0.009 0.000 1.181 515 A CA 1.786 53.829 52.037 0.010 0.000 0.627 515 A CB -0.599 18.405 19.000 0.007 0.000 0.818 515 A HN 0.648 nan 8.150 nan 0.000 0.445 516 E N -0.590 119.620 120.200 0.016 0.000 2.077 516 E HA -0.209 2.717 4.350 -2.373 0.000 0.193 516 E C 2.341 178.952 176.600 0.018 0.000 0.989 516 E CA 1.300 57.709 56.400 0.016 0.000 0.800 516 E CB -0.198 29.515 29.700 0.021 0.000 0.746 516 E HN 0.596 nan 8.360 nan 0.000 0.452 517 R N 0.293 120.808 120.500 0.026 0.000 2.092 517 R HA -0.051 2.865 4.340 -2.373 0.000 0.231 517 R C 2.418 178.725 176.300 0.012 0.000 1.119 517 R CA 0.872 56.988 56.100 0.026 0.000 0.970 517 R CB -0.266 30.057 30.300 0.039 0.000 0.864 517 R HN 0.185 nan 8.270 nan 0.000 0.440 518 I N 0.910 121.485 120.570 0.008 0.000 2.202 518 I HA -0.248 2.498 4.170 -2.373 0.000 0.242 518 I C 2.667 178.778 176.117 -0.010 0.000 1.091 518 I CA 1.260 62.559 61.300 -0.001 0.000 1.368 518 I CB -0.440 37.557 38.000 -0.004 0.000 1.058 518 I HN 0.168 nan 8.210 nan 0.000 0.410 519 A N 0.893 123.706 122.820 -0.012 0.000 1.908 519 A HA -0.231 2.665 4.320 -2.373 0.000 0.218 519 A C 2.408 179.984 177.584 -0.014 0.000 1.181 519 A CA 1.663 53.689 52.037 -0.018 0.000 0.627 519 A CB -0.587 18.404 19.000 -0.016 0.000 0.818 519 A HN 0.325 nan 8.150 nan 0.000 0.445 520 R N -0.878 119.619 120.500 -0.005 0.000 2.064 520 R HA -0.069 2.847 4.340 -2.373 0.000 0.228 520 R C 2.131 178.428 176.300 -0.006 0.000 1.144 520 R CA 1.565 57.663 56.100 -0.002 0.000 0.932 520 R CB -0.831 29.473 30.300 0.007 0.000 0.833 520 R HN 0.373 nan 8.270 nan 0.000 0.429 521 V N 1.887 121.797 119.914 -0.006 0.000 2.343 521 V HA -0.206 2.490 4.120 -2.373 0.000 0.247 521 V C 2.274 178.360 176.094 -0.014 0.000 1.051 521 V CA 1.610 63.901 62.300 -0.014 0.000 1.036 521 V CB -0.418 31.392 31.823 -0.021 0.000 0.654 521 V HN 0.318 nan 8.190 nan 0.000 0.451 522 L N -0.576 120.643 121.223 -0.007 0.000 2.478 522 L HA -0.052 2.865 4.340 -2.373 0.000 0.223 522 L C 2.288 179.148 176.870 -0.017 0.000 1.140 522 L CA 0.969 55.812 54.840 0.006 0.000 0.842 522 L CB -0.656 41.419 42.059 0.026 0.000 0.953 522 L HN 0.387 nan 8.230 nan 0.000 0.452 523 T N -1.032 113.509 114.554 -0.022 0.000 2.901 523 T HA -0.010 2.916 4.350 -2.373 0.000 0.252 523 T C 1.689 176.377 174.700 -0.020 0.000 1.035 523 T CA 0.648 62.732 62.100 -0.026 0.000 1.142 523 T CB 0.009 68.863 68.868 -0.022 0.000 0.869 523 T HN 0.237 nan 8.240 nan 0.000 0.442 524 N N 1.564 120.255 118.700 -0.015 0.000 2.142 524 N HA -0.082 3.234 4.740 -2.373 0.000 0.186 524 N C 1.633 177.133 175.510 -0.017 0.000 1.023 524 N CA 1.113 54.157 53.050 -0.010 0.000 0.852 524 N CB -0.577 37.907 38.487 -0.005 0.000 0.998 524 N HN 0.353 nan 8.380 nan 0.000 0.424 525 D N 0.802 121.186 120.400 -0.027 0.000 2.087 525 D HA -0.083 3.133 4.640 -2.373 0.000 0.192 525 D C -0.944 175.324 176.300 -0.055 0.000 0.993 525 D CA 1.276 55.251 54.000 -0.043 0.000 0.828 525 D CB -0.807 39.964 40.800 -0.050 0.000 0.968 525 D HN 0.211 nan 8.370 nan 0.000 0.448 526 P HA -0.006 nan 4.420 nan 0.000 0.221 526 P C 1.601 178.868 177.300 -0.054 0.000 1.150 526 P CA 1.474 64.533 63.100 -0.069 0.000 0.800 526 P CB -0.266 31.400 31.700 -0.057 0.000 0.787 527 G N 1.015 109.795 108.800 -0.033 0.000 2.446 527 G HA2 -0.279 2.257 3.960 -2.373 0.000 0.217 527 G HA3 -0.279 2.257 3.960 -2.373 0.000 0.217 527 G C 1.668 176.564 174.900 -0.007 0.000 1.168 527 G CA 2.055 47.144 45.100 -0.017 0.000 0.771 527 G HN 0.393 nan 8.290 nan 0.000 0.551 528 T N -1.042 113.512 114.554 -0.001 0.000 2.849 528 T HA 0.039 2.965 4.350 -2.373 0.000 0.270 528 T C 2.359 177.048 174.700 -0.018 0.000 1.066 528 T CA 1.685 63.801 62.100 0.026 0.000 1.130 528 T CB -0.497 68.400 68.868 0.049 0.000 0.864 528 T HN 0.260 nan 8.240 nan 0.000 0.481 529 G N 0.992 109.761 108.800 -0.051 0.000 2.394 529 G HA2 -0.064 2.472 3.960 -2.373 0.000 0.214 529 G HA3 -0.064 2.472 3.960 -2.373 0.000 0.214 529 G C 1.632 176.543 174.900 0.018 0.000 1.176 529 G CA 0.739 45.804 45.100 -0.058 0.000 0.786 529 G HN 0.477 nan 8.290 nan 0.000 0.533 530 V N 1.355 121.258 119.914 -0.018 0.000 2.343 530 V HA -0.257 2.439 4.120 -2.373 0.000 0.247 530 V C 2.708 178.806 176.094 0.006 0.000 1.051 530 V CA 2.234 64.533 62.300 -0.001 0.000 1.036 530 V CB -0.497 31.320 31.823 -0.010 0.000 0.654 530 V HN 0.507 nan 8.190 nan 0.000 0.451 531 M N -0.200 119.391 119.600 -0.015 0.000 2.080 531 M HA -0.233 2.823 4.480 -2.373 0.000 0.260 531 M C 2.464 178.656 176.300 -0.181 0.000 1.068 531 M CA 2.022 57.308 55.300 -0.023 0.000 1.109 531 M CB -0.405 32.224 32.600 0.049 0.000 1.342 531 M HN 0.161 nan 8.290 nan 0.000 0.405 532 R N -0.521 119.744 120.500 -0.393 0.000 2.091 532 R HA -0.200 2.716 4.340 -2.373 0.000 0.238 532 R C 1.654 177.539 176.300 -0.691 0.000 1.136 532 R CA 2.360 57.837 56.100 -1.038 0.000 0.959 532 R CB -0.783 28.885 30.300 -1.054 0.000 0.856 532 R HN 0.597 nan 8.270 nan 0.000 0.437 533 H N -0.639 118.261 119.070 -0.283 0.000 2.436 533 H HA 0.150 3.283 4.556 -2.372 0.000 0.294 533 H C 1.839 177.210 175.328 0.072 0.000 1.048 533 H CA 1.251 57.264 56.048 -0.058 0.000 1.353 533 H CB 0.025 29.730 29.762 -0.095 0.000 1.414 533 H HN 0.362 nan 8.280 nan 0.000 0.536 534 A N 0.546 123.420 122.820 0.090 0.000 1.930 534 A HA -0.225 2.671 4.320 -2.373 0.000 0.217 534 A C 1.955 179.554 177.584 0.025 0.000 1.175 534 A CA 1.940 54.017 52.037 0.066 0.000 0.627 534 A CB -0.563 18.461 19.000 0.041 0.000 0.815 534 A HN 0.481 nan 8.150 nan 0.000 0.443 535 D N -0.149 120.234 120.400 -0.028 0.000 2.123 535 D HA -0.075 3.141 4.640 -2.373 0.000 0.196 535 D C 1.885 178.185 176.300 0.000 0.000 0.992 535 D CA 1.524 55.532 54.000 0.013 0.000 0.833 535 D CB -0.147 40.692 40.800 0.065 0.000 0.954 535 D HN 0.367 nan 8.370 nan 0.000 0.455 536 A N -0.865 121.929 122.820 -0.045 0.000 2.172 536 A HA 0.299 3.195 4.320 -2.373 0.000 0.216 536 A C 1.879 179.361 177.584 -0.171 0.000 1.154 536 A CA 1.325 53.322 52.037 -0.067 0.000 0.701 536 A CB -0.575 18.422 19.000 -0.006 0.000 0.789 536 A HN 0.545 nan 8.150 nan 0.000 0.465 537 G N -2.812 105.927 108.800 -0.100 0.000 2.131 537 G HA2 -0.245 2.291 3.960 -2.373 0.000 0.223 537 G HA3 -0.245 2.291 3.960 -2.373 0.000 0.223 537 G C -0.153 174.649 174.900 -0.165 0.000 0.990 537 G CA -0.004 45.019 45.100 -0.128 0.000 0.671 537 G HN 0.386 nan 8.290 nan 0.000 0.521 538 Y N 1.624 121.925 120.300 0.001 0.000 2.496 538 Y HA 0.264 3.390 4.550 -2.374 0.000 0.334 538 Y C 1.658 177.558 175.900 0.001 0.000 1.080 538 Y CA 0.074 58.179 58.100 0.007 0.000 1.355 538 Y CB 0.653 39.133 38.460 0.035 0.000 1.193 538 Y HN 0.087 nan 8.280 nan 0.000 0.523 539 D N 2.604 123.076 120.400 0.119 0.000 2.149 539 D HA -0.204 3.012 4.640 -2.373 0.000 0.198 539 D C 2.076 178.415 176.300 0.065 0.000 0.990 539 D CA 1.548 55.587 54.000 0.065 0.000 0.839 539 D CB 0.052 40.874 40.800 0.037 0.000 0.948 539 D HN 0.641 nan 8.370 nan 0.000 0.460 540 I N 1.132 121.748 120.570 0.078 0.000 2.208 540 I HA -0.284 2.462 4.170 -2.373 0.000 0.245 540 I C 2.488 178.625 176.117 0.033 0.000 1.097 540 I CA 1.190 62.512 61.300 0.037 0.000 1.363 540 I CB -0.191 37.813 38.000 0.007 0.000 1.051 540 I HN -0.063 nan 8.210 nan 0.000 0.413 541 A N 0.920 123.780 122.820 0.066 0.000 1.873 541 A HA -0.141 2.755 4.320 -2.373 0.000 0.215 541 A C 2.298 179.911 177.584 0.047 0.000 1.186 541 A CA 1.378 53.449 52.037 0.056 0.000 0.616 541 A CB -0.785 18.284 19.000 0.115 0.000 0.823 541 A HN 0.352 nan 8.150 nan 0.000 0.442 542 I N 0.061 120.665 120.570 0.057 0.000 2.127 542 I HA -0.277 2.469 4.170 -2.373 0.000 0.241 542 I C 1.970 178.101 176.117 0.024 0.000 1.075 542 I CA 1.646 62.968 61.300 0.036 0.000 1.334 542 I CB -0.530 37.489 38.000 0.032 0.000 1.040 542 I HN 0.253 nan 8.210 nan 0.000 0.405 543 D N 0.185 120.598 120.400 0.022 0.000 2.104 543 D HA -0.226 2.990 4.640 -2.373 0.000 0.194 543 D C 2.210 178.514 176.300 0.008 0.000 0.994 543 D CA 1.373 55.381 54.000 0.013 0.000 0.830 543 D CB -0.668 40.138 40.800 0.011 0.000 0.959 543 D HN 0.426 nan 8.370 nan 0.000 0.452 544 C N 1.048 120.352 119.300 0.008 0.000 2.429 544 C HA -0.007 3.029 4.460 -2.373 0.000 0.277 544 C C 2.873 177.864 174.990 0.001 0.000 1.262 544 C CA 1.347 60.366 59.018 0.001 0.000 1.733 544 C CB -1.083 26.655 27.740 -0.004 0.000 2.010 544 C HN 0.327 nan 8.230 nan 0.000 0.483 545 A N 0.336 123.160 122.820 0.007 0.000 1.908 545 A HA -0.198 2.698 4.320 -2.373 0.000 0.218 545 A C 2.241 179.829 177.584 0.006 0.000 1.181 545 A CA 1.990 54.032 52.037 0.008 0.000 0.627 545 A CB -0.606 18.404 19.000 0.016 0.000 0.818 545 A HN 0.771 nan 8.150 nan 0.000 0.445 546 K N -0.705 119.699 120.400 0.007 0.000 2.097 546 K HA -0.132 2.764 4.320 -2.373 0.000 0.205 546 K C 2.139 178.739 176.600 0.001 0.000 1.050 546 K CA 1.293 57.583 56.287 0.005 0.000 0.938 546 K CB -0.094 32.410 32.500 0.006 0.000 0.718 546 K HN 0.726 nan 8.250 nan 0.000 0.442 547 E N 0.814 121.014 120.200 -0.000 0.000 2.106 547 E HA -0.189 2.737 4.350 -2.373 0.000 0.192 547 E C 1.570 178.166 176.600 -0.006 0.000 0.984 547 E CA 0.952 57.350 56.400 -0.003 0.000 0.806 547 E CB 0.286 29.983 29.700 -0.004 0.000 0.750 547 E HN 0.180 nan 8.360 nan 0.000 0.458 548 Q N -0.597 119.199 119.800 -0.007 0.000 2.403 548 Q HA 0.075 2.991 4.340 -2.373 0.000 0.203 548 Q C 0.931 176.926 176.000 -0.007 0.000 0.932 548 Q CA 0.777 56.574 55.803 -0.010 0.000 0.945 548 Q CB 1.049 29.779 28.738 -0.013 0.000 1.045 548 Q HN 0.492 nan 8.270 nan 0.000 0.511 549 G N 1.491 110.289 108.800 -0.003 0.000 2.198 549 G HA2 -0.275 2.261 3.960 -2.373 0.000 0.260 549 G HA3 -0.275 2.261 3.960 -2.373 0.000 0.260 549 G C 0.113 175.013 174.900 0.001 0.000 1.025 549 G CA 0.019 45.118 45.100 -0.001 0.000 0.769 549 G HN 0.300 nan 8.290 nan 0.000 0.507 550 L N 0.154 121.378 121.223 0.003 0.000 2.485 550 L HA 0.192 3.109 4.340 -2.373 0.000 0.275 550 L C 0.531 177.408 176.870 0.011 0.000 1.207 550 L CA 0.002 54.846 54.840 0.007 0.000 0.855 550 L CB 0.507 42.572 42.059 0.009 0.000 1.114 550 L HN 0.153 nan 8.230 nan 0.000 0.485 551 D N 4.575 124.983 120.400 0.014 0.000 2.485 551 D HA 0.302 3.518 4.640 -2.373 0.000 0.221 551 D C -0.737 175.578 176.300 0.025 0.000 1.112 551 D CA -0.181 53.828 54.000 0.016 0.000 0.911 551 D CB 0.273 41.081 40.800 0.013 0.000 1.019 551 D HN 0.247 nan 8.370 nan 0.000 0.516 552 L N 5.445 126.685 121.223 0.027 0.000 2.356 552 L HA 0.319 3.235 4.340 -2.373 0.000 0.264 552 L C -1.532 175.358 176.870 0.034 0.000 1.029 552 L CA -1.869 52.994 54.840 0.039 0.000 0.897 552 L CB 1.806 43.891 42.059 0.043 0.000 1.256 552 L HN 0.062 nan 8.230 nan 0.000 0.444 553 P HA -0.195 nan 4.420 nan 0.000 0.216 553 P C 1.582 178.896 177.300 0.024 0.000 1.154 553 P CA 1.517 64.631 63.100 0.023 0.000 0.865 553 P CB 0.195 31.907 31.700 0.021 0.000 0.789 554 M N -2.466 117.153 119.600 0.032 0.000 2.558 554 M HA 0.025 3.081 4.480 -2.373 0.000 0.255 554 M C 1.554 177.870 176.300 0.026 0.000 1.113 554 M CA 0.901 56.219 55.300 0.029 0.000 1.097 554 M CB -0.631 31.992 32.600 0.038 0.000 1.426 554 M HN -0.008 nan 8.290 nan 0.000 0.488 555 I N -1.581 119.005 120.570 0.028 0.000 2.899 555 I HA -0.008 2.738 4.170 -2.373 0.000 0.257 555 I C 2.071 178.198 176.117 0.017 0.000 1.115 555 I CA 1.181 62.495 61.300 0.023 0.000 1.451 555 I CB -1.218 36.797 38.000 0.027 0.000 1.251 555 I HN 0.147 nan 8.210 nan 0.000 0.456 556 T N -0.064 114.500 114.554 0.017 0.000 3.054 556 T HA 0.479 3.406 4.350 -2.373 0.000 0.255 556 T C 0.573 175.279 174.700 0.011 0.000 1.035 556 T CA 0.522 62.630 62.100 0.013 0.000 0.941 556 T CB -0.154 68.722 68.868 0.013 0.000 1.026 556 T HN 0.644 nan 8.240 nan 0.000 0.533 557 G N 0.000 108.807 108.800 0.012 0.000 5.446 557 G HA2 0.000 2.536 3.960 -2.373 0.000 0.244 557 G HA3 0.000 2.536 3.960 -2.373 0.000 0.244 557 G CA 0.000 45.105 45.100 0.009 0.000 0.502 557 G HN 0.000 nan 8.290 nan 0.000 0.925