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 1qco_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSFIPVAEDS DFPIQNLPYG VFSTQSNPKP RIGVAIGDQI LDLSVIKHLF DATA SEQUENCE TGPALSKHQH VFDETTLNNF MGLGQAAWKE ARASLQNLLS ASQARLRDDK DATA SEQUENCE ELRQRAFTSQ ASATMHLPAT IGDYTDFYSS RQHATNVGIM FRGKENALLP DATA SEQUENCE NWLHLPVGYH GRASSIVVSG TPIRRPMGQM RPDNSKPPVY GACRLLDMEL DATA SEQUENCE EMAFFVGPGN RFGEPIPISK AHEHIFGMVL MNDWSARDIQ QWEYVPLGPF DATA SEQUENCE LGKSFGTTIS PWVVPMDALM PFVVPNPKQD PKPLPYLCHS QPYTFDINLS DATA SEQUENCE VSLKGEGMSQ AATICRSNFK HMYWTMLQQL THHSVNGCNL RPGDLLASGT DATA SEQUENCE ISGSDPESFG SMLELSWKGT KAIDVGQGQT RTFLLDGDEV IITGHCQGDG DATA SEQUENCE YRVGFGQCAG KVLPALS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.259 176.300 -0.068 0.000 1.140 1 M CA 0.000 55.262 55.300 -0.063 0.000 0.988 1 M CB 0.000 32.575 32.600 -0.041 0.000 1.302 2 S N -0.505 115.128 115.700 -0.111 0.000 2.690 2 S HA 0.891 5.365 4.470 0.007 0.000 0.291 2 S C 0.691 175.201 174.600 -0.151 0.000 1.138 2 S CA 0.247 58.331 58.200 -0.194 0.000 1.013 2 S CB 0.633 63.636 63.200 -0.327 0.000 1.053 2 S HN 1.866 nan 8.310 nan 0.000 0.539 3 F N 1.229 121.140 119.950 -0.065 0.000 2.661 3 F HA 0.471 5.002 4.527 0.007 0.000 0.298 3 F C 0.421 176.146 175.800 -0.125 0.000 1.137 3 F CA -0.391 57.561 58.000 -0.081 0.000 1.454 3 F CB -0.200 38.756 39.000 -0.073 0.000 1.103 3 F HN 0.182 nan 8.300 nan 0.000 0.577 4 I N 4.876 125.147 120.570 -0.498 0.000 2.371 4 I HA 0.202 4.376 4.170 0.007 0.000 0.290 4 I C -2.069 173.920 176.117 -0.214 0.000 1.028 4 I CA -2.715 58.351 61.300 -0.390 0.000 1.345 4 I CB 0.467 38.139 38.000 -0.547 0.000 1.407 4 I HN -0.062 nan 8.210 nan 0.000 0.501 5 P HA 0.120 nan 4.420 nan 0.000 0.268 5 P C -0.757 176.490 177.300 -0.087 0.000 1.204 5 P CA -0.005 63.043 63.100 -0.086 0.000 0.768 5 P CB 1.139 32.802 31.700 -0.061 0.000 0.842 6 V N 2.831 122.705 119.914 -0.067 0.000 2.482 6 V HA 0.433 4.557 4.120 0.007 0.000 0.295 6 V C 0.586 176.660 176.094 -0.034 0.000 1.026 6 V CA -1.080 61.188 62.300 -0.053 0.000 0.856 6 V CB 1.353 33.142 31.823 -0.058 0.000 1.001 6 V HN 0.770 nan 8.190 nan 0.000 0.424 7 A N 2.841 125.645 122.820 -0.027 0.000 2.520 7 A HA 0.192 4.516 4.320 0.007 0.000 0.235 7 A C 1.274 178.844 177.584 -0.024 0.000 1.065 7 A CA 0.262 52.285 52.037 -0.024 0.000 0.764 7 A CB 0.110 19.097 19.000 -0.021 0.000 1.002 7 A HN 1.003 nan 8.150 nan 0.000 0.502 8 E N 0.338 120.526 120.200 -0.020 0.000 2.160 8 E HA -0.223 4.131 4.350 0.007 0.000 0.195 8 E C 0.412 176.995 176.600 -0.028 0.000 0.991 8 E CA 1.542 57.933 56.400 -0.016 0.000 0.810 8 E CB 0.047 29.738 29.700 -0.014 0.000 0.742 8 E HN 0.846 nan 8.360 nan 0.000 0.466 9 D N -0.249 120.123 120.400 -0.046 0.000 2.395 9 D HA -0.000 4.644 4.640 0.007 0.000 0.226 9 D C -0.001 176.245 176.300 -0.090 0.000 1.146 9 D CA -0.119 53.836 54.000 -0.075 0.000 0.830 9 D CB 0.152 40.903 40.800 -0.081 0.000 0.958 9 D HN -0.140 nan 8.370 nan 0.000 0.501 10 S N -0.027 115.627 115.700 -0.077 0.000 2.564 10 S HA 0.041 4.515 4.470 0.007 0.000 0.278 10 S C 0.731 175.207 174.600 -0.208 0.000 1.333 10 S CA -0.424 57.709 58.200 -0.112 0.000 1.048 10 S CB 0.956 64.122 63.200 -0.057 0.000 0.900 10 S HN -0.046 nan 8.310 nan 0.000 0.505 11 D N 2.690 122.824 120.400 -0.444 0.000 2.312 11 D HA 0.048 4.693 4.640 0.007 0.000 0.211 11 D C -0.132 175.675 176.300 -0.821 0.000 0.964 11 D CA 1.017 54.586 54.000 -0.719 0.000 0.877 11 D CB -0.043 39.996 40.800 -1.267 0.000 0.924 11 D HN 0.615 nan 8.370 nan 0.000 0.515 12 F N 1.152 121.013 119.950 -0.148 0.000 2.532 12 F HA 0.302 4.833 4.527 0.007 0.000 0.313 12 F C -2.017 173.682 175.800 -0.168 0.000 1.301 12 F CA -1.974 55.898 58.000 -0.214 0.000 1.154 12 F CB 0.856 39.657 39.000 -0.333 0.000 1.335 12 F HN -0.199 nan 8.300 nan 0.000 0.542 13 P HA 0.123 nan 4.420 nan 0.000 0.279 13 P C 1.228 178.487 177.300 -0.069 0.000 1.282 13 P CA -0.323 62.760 63.100 -0.029 0.000 0.788 13 P CB 1.867 33.571 31.700 0.007 0.000 1.139 14 I N -0.417 120.089 120.570 -0.108 0.000 2.756 14 I HA -0.241 3.933 4.170 0.007 0.000 0.262 14 I C 1.705 177.744 176.117 -0.130 0.000 1.225 14 I CA 1.334 62.560 61.300 -0.124 0.000 1.472 14 I CB -0.106 37.817 38.000 -0.129 0.000 1.094 14 I HN 0.220 nan 8.210 nan 0.000 0.454 15 Q N 0.072 119.773 119.800 -0.166 0.000 2.435 15 Q HA -0.082 4.263 4.340 0.007 0.000 0.207 15 Q C 1.602 177.574 176.000 -0.047 0.000 0.956 15 Q CA 0.643 56.340 55.803 -0.177 0.000 0.917 15 Q CB -0.131 28.338 28.738 -0.450 0.000 0.997 15 Q HN 0.453 nan 8.270 nan 0.000 0.497 16 N N 0.359 119.034 118.700 -0.041 0.000 2.358 16 N HA 0.060 4.805 4.740 0.007 0.000 0.209 16 N C -0.310 175.137 175.510 -0.104 0.000 1.033 16 N CA 0.525 53.548 53.050 -0.046 0.000 1.021 16 N CB 0.237 38.699 38.487 -0.041 0.000 1.244 16 N HN 0.138 nan 8.380 nan 0.000 0.523 17 L N 0.569 121.704 121.223 -0.145 0.000 3.573 17 L HA -0.117 4.228 4.340 0.007 0.000 0.578 17 L C -2.430 174.221 176.870 -0.364 0.000 1.299 17 L CA -0.459 54.229 54.840 -0.253 0.000 0.914 17 L CB -1.681 40.249 42.059 -0.215 0.000 1.563 17 L HN 0.334 nan 8.230 nan 0.000 0.860 18 P HA 0.261 nan 4.420 nan 0.000 0.276 18 P C -0.790 176.449 177.300 -0.102 0.000 1.244 18 P CA -0.131 62.881 63.100 -0.147 0.000 0.801 18 P CB 0.723 32.437 31.700 0.024 0.000 1.006 19 Y N -0.349 120.144 120.300 0.322 0.000 2.361 19 Y HA 0.669 5.226 4.550 0.012 0.000 0.332 19 Y C 1.265 177.380 175.900 0.359 0.000 1.101 19 Y CA 0.151 58.464 58.100 0.355 0.000 1.137 19 Y CB 1.934 40.597 38.460 0.338 0.000 1.207 19 Y HN 0.566 nan 8.280 nan 0.000 0.463 20 G N 0.345 109.363 108.800 0.363 0.000 2.660 20 G HA2 0.563 4.528 3.960 0.007 0.000 0.290 20 G HA3 0.563 4.528 3.960 0.007 0.000 0.290 20 G C -2.236 172.655 174.900 -0.016 0.000 1.432 20 G CA -0.794 44.235 45.100 -0.118 0.000 0.807 20 G HN 0.413 nan 8.290 nan 0.000 0.485 21 V N 1.059 120.923 119.914 -0.083 0.000 2.409 21 V HA 0.733 4.858 4.120 0.007 0.000 0.291 21 V C -0.499 175.666 176.094 0.119 0.000 1.020 21 V CA -0.496 61.815 62.300 0.017 0.000 0.848 21 V CB 0.360 32.148 31.823 -0.058 0.000 0.990 21 V HN 0.777 nan 8.190 nan 0.000 0.430 22 F N 2.751 122.680 119.950 -0.036 0.000 2.675 22 F HA 0.987 5.518 4.527 0.007 0.000 0.324 22 F C -0.183 175.659 175.800 0.069 0.000 1.106 22 F CA -0.675 57.369 58.000 0.074 0.000 0.970 22 F CB 2.085 41.090 39.000 0.009 0.000 1.385 22 F HN 0.470 nan 8.300 nan 0.000 0.489 23 S N -0.255 115.461 115.700 0.026 0.000 2.638 23 S HA 0.882 5.356 4.470 0.007 0.000 0.274 23 S C -1.045 173.630 174.600 0.125 0.000 1.157 23 S CA -0.149 57.989 58.200 -0.104 0.000 0.826 23 S CB 1.512 64.713 63.200 0.002 0.000 1.139 23 S HN 1.328 nan 8.310 nan 0.000 0.474 24 T N -1.380 113.217 114.554 0.072 0.000 2.865 24 T HA 0.507 4.862 4.350 0.007 0.000 0.294 24 T C 0.407 175.146 174.700 0.064 0.000 1.119 24 T CA -0.819 61.349 62.100 0.113 0.000 1.007 24 T CB 1.410 70.365 68.868 0.144 0.000 1.225 24 T HN 0.421 nan 8.240 nan 0.000 0.515 25 Q N 0.735 120.572 119.800 0.062 0.000 2.084 25 Q HA -0.052 4.292 4.340 0.007 0.000 0.202 25 Q C 2.475 178.495 176.000 0.033 0.000 0.978 25 Q CA 1.882 57.711 55.803 0.043 0.000 0.844 25 Q CB -0.869 27.893 28.738 0.041 0.000 0.898 25 Q HN 0.749 nan 8.270 nan 0.000 0.426 26 S N 1.417 117.140 115.700 0.039 0.000 2.353 26 S HA -0.107 4.368 4.470 0.007 0.000 0.222 26 S C 1.073 175.682 174.600 0.015 0.000 1.035 26 S CA 1.025 59.243 58.200 0.030 0.000 1.025 26 S CB -0.107 63.118 63.200 0.041 0.000 0.902 26 S HN 0.288 nan 8.310 nan 0.000 0.440 27 N N 0.940 119.645 118.700 0.008 0.000 2.569 27 N HA 0.276 5.021 4.740 0.007 0.000 0.254 27 N C -2.374 173.107 175.510 -0.048 0.000 1.004 27 N CA -2.211 50.824 53.050 -0.025 0.000 0.904 27 N CB 1.706 40.170 38.487 -0.039 0.000 1.165 27 N HN -0.015 nan 8.380 nan 0.000 0.513 28 P HA -0.074 nan 4.420 nan 0.000 0.233 28 P C 0.110 177.351 177.300 -0.099 0.000 1.167 28 P CA 0.349 63.425 63.100 -0.040 0.000 0.770 28 P CB 0.366 32.056 31.700 -0.017 0.000 0.837 29 K N 2.072 122.395 120.400 -0.129 0.000 2.402 29 K HA 0.159 4.483 4.320 0.007 0.000 0.285 29 K C -2.394 174.030 176.600 -0.292 0.000 1.054 29 K CA -1.918 54.262 56.287 -0.177 0.000 1.001 29 K CB 0.012 32.428 32.500 -0.140 0.000 0.946 29 K HN -0.002 nan 8.250 nan 0.000 0.473 30 P HA 0.059 nan 4.420 nan 0.000 0.268 30 P C -0.847 176.204 177.300 -0.415 0.000 1.204 30 P CA 0.216 62.997 63.100 -0.532 0.000 0.768 30 P CB 0.519 31.822 31.700 -0.662 0.000 0.842 31 R N 2.289 122.488 120.500 -0.502 0.000 2.817 31 R HA 0.600 4.945 4.340 0.007 0.000 0.268 31 R C -0.946 175.244 176.300 -0.184 0.000 1.027 31 R CA -1.101 54.790 56.100 -0.348 0.000 0.928 31 R CB 0.985 31.071 30.300 -0.355 0.000 1.228 31 R HN 0.194 nan 8.270 nan 0.000 0.469 32 I N 1.089 121.664 120.570 0.007 0.000 2.416 32 I HA 0.400 4.574 4.170 0.007 0.000 0.288 32 I C 0.475 176.807 176.117 0.358 0.000 1.051 32 I CA 0.040 61.443 61.300 0.172 0.000 1.375 32 I CB 1.443 39.520 38.000 0.127 0.000 1.407 32 I HN 0.825 nan 8.210 nan 0.000 0.516 33 G N 4.863 113.924 108.800 0.435 0.000 2.680 33 G HA2 0.683 4.648 3.960 0.007 0.000 0.290 33 G HA3 0.683 4.648 3.960 0.007 0.000 0.290 33 G C -1.585 173.471 174.900 0.260 0.000 1.355 33 G CA -0.439 44.842 45.100 0.301 0.000 0.903 33 G HN 0.317 nan 8.290 nan 0.000 0.474 34 V N 0.386 120.325 119.914 0.042 0.000 2.540 34 V HA 0.690 4.814 4.120 0.007 0.000 0.302 34 V C 0.483 176.356 176.094 -0.369 0.000 1.035 34 V CA -0.727 61.500 62.300 -0.123 0.000 0.873 34 V CB 1.480 33.172 31.823 -0.218 0.000 0.992 34 V HN 1.169 nan 8.190 nan 0.000 0.428 35 A N 5.106 127.426 122.820 -0.834 0.000 2.363 35 A HA 0.786 5.111 4.320 0.007 0.000 0.270 35 A C -0.713 176.474 177.584 -0.662 0.000 1.121 35 A CA -0.028 51.281 52.037 -1.213 0.000 0.800 35 A CB 0.265 17.659 19.000 -2.676 0.000 1.052 35 A HN 0.908 nan 8.150 nan 0.000 0.493 36 I N 2.114 122.426 120.570 -0.431 0.000 2.571 36 I HA 0.573 4.747 4.170 0.007 0.000 0.286 36 I C 0.559 176.591 176.117 -0.142 0.000 1.134 36 I CA 1.267 62.442 61.300 -0.207 0.000 1.052 36 I CB 1.109 39.019 38.000 -0.151 0.000 1.237 36 I HN 1.704 nan 8.210 nan 0.000 0.435 37 G N 6.335 115.107 108.800 -0.046 0.000 2.583 37 G HA2 -0.349 3.615 3.960 0.007 0.000 0.292 37 G HA3 -0.349 3.615 3.960 0.007 0.000 0.292 37 G C 0.174 175.086 174.900 0.019 0.000 1.203 37 G CA 0.793 45.882 45.100 -0.018 0.000 0.987 37 G HN 1.135 nan 8.290 nan 0.000 0.554 38 D N 0.261 120.651 120.400 -0.017 0.000 2.424 38 D HA 0.376 5.021 4.640 0.007 0.000 0.220 38 D C 0.821 177.093 176.300 -0.047 0.000 1.150 38 D CA 0.229 54.228 54.000 -0.002 0.000 0.831 38 D CB 0.379 41.191 40.800 0.021 0.000 0.981 38 D HN 0.456 nan 8.370 nan 0.000 0.500 39 Q N 0.072 119.819 119.800 -0.089 0.000 2.252 39 Q HA 0.580 4.925 4.340 0.007 0.000 0.256 39 Q C -0.319 175.597 176.000 -0.140 0.000 1.020 39 Q CA -0.728 55.041 55.803 -0.057 0.000 0.913 39 Q CB 2.409 31.155 28.738 0.012 0.000 1.286 39 Q HN 0.200 nan 8.270 nan 0.000 0.480 40 I N 1.600 122.106 120.570 -0.106 0.000 2.499 40 I HA 0.201 4.375 4.170 0.007 0.000 0.288 40 I C -1.023 174.965 176.117 -0.214 0.000 1.048 40 I CA -0.963 60.181 61.300 -0.261 0.000 1.062 40 I CB 1.991 39.673 38.000 -0.530 0.000 1.238 40 I HN 0.274 nan 8.210 nan 0.000 0.426 41 L N 6.355 127.432 121.223 -0.243 0.000 2.260 41 L HA 0.388 4.732 4.340 0.007 0.000 0.289 41 L C -0.112 176.622 176.870 -0.228 0.000 1.057 41 L CA 0.154 54.757 54.840 -0.395 0.000 0.811 41 L CB 0.742 42.580 42.059 -0.368 0.000 1.184 41 L HN 0.434 nan 8.230 nan 0.000 0.429 42 D N 4.831 125.130 120.400 -0.168 0.000 2.344 42 D HA 0.067 4.711 4.640 0.007 0.000 0.253 42 D C 1.100 177.395 176.300 -0.009 0.000 1.255 42 D CA 0.094 54.142 54.000 0.081 0.000 0.894 42 D CB 0.756 41.653 40.800 0.161 0.000 1.067 42 D HN 0.676 nan 8.370 nan 0.000 0.492 43 L N 2.830 124.073 121.223 0.034 0.000 2.291 43 L HA -0.147 4.198 4.340 0.007 0.000 0.214 43 L C 2.392 179.255 176.870 -0.012 0.000 1.120 43 L CA 0.718 55.534 54.840 -0.040 0.000 0.799 43 L CB -0.457 41.527 42.059 -0.124 0.000 0.925 43 L HN 0.371 nan 8.230 nan 0.000 0.446 44 S N -0.842 114.874 115.700 0.027 0.000 2.428 44 S HA -0.089 4.386 4.470 0.007 0.000 0.230 44 S C 1.859 176.437 174.600 -0.037 0.000 1.014 44 S CA 0.717 58.919 58.200 0.004 0.000 0.957 44 S CB -0.476 62.711 63.200 -0.023 0.000 0.784 44 S HN 0.172 nan 8.310 nan 0.000 0.499 45 V N 2.711 122.603 119.914 -0.036 0.000 2.379 45 V HA 0.046 4.171 4.120 0.007 0.000 0.245 45 V C 2.129 178.177 176.094 -0.077 0.000 1.044 45 V CA 1.702 63.973 62.300 -0.049 0.000 1.036 45 V CB -0.672 31.125 31.823 -0.043 0.000 0.664 45 V HN 0.802 nan 8.190 nan 0.000 0.453 46 I N -0.932 119.573 120.570 -0.108 0.000 3.891 46 I HA 0.160 4.334 4.170 0.007 0.000 0.331 46 I C 1.925 177.946 176.117 -0.159 0.000 1.406 46 I CA 0.085 61.294 61.300 -0.152 0.000 1.139 46 I CB -0.535 37.325 38.000 -0.233 0.000 1.056 46 I HN 0.263 nan 8.210 nan 0.000 0.399 47 K N 0.281 120.636 120.400 -0.076 0.000 2.160 47 K HA -0.221 4.104 4.320 0.007 0.000 0.206 47 K C 1.410 178.080 176.600 0.116 0.000 1.047 47 K CA 1.678 58.024 56.287 0.097 0.000 0.930 47 K CB -0.667 31.879 32.500 0.077 0.000 0.720 47 K HN 0.419 nan 8.250 nan 0.000 0.450 48 H N 0.723 119.844 119.070 0.086 0.000 2.521 48 H HA 0.054 4.615 4.556 0.007 0.000 0.286 48 H C 1.847 177.171 175.328 -0.007 0.000 1.034 48 H CA 0.884 56.969 56.048 0.063 0.000 1.278 48 H CB -0.025 29.756 29.762 0.032 0.000 1.386 48 H HN 0.225 nan 8.280 nan 0.000 0.567 49 L N -0.230 120.955 121.223 -0.065 0.000 2.478 49 L HA -0.016 4.329 4.340 0.007 0.000 0.223 49 L C 0.210 176.911 176.870 -0.282 0.000 1.140 49 L CA 0.183 54.888 54.840 -0.224 0.000 0.842 49 L CB -0.235 41.599 42.059 -0.376 0.000 0.953 49 L HN 0.020 nan 8.230 nan 0.000 0.452 50 F N 0.213 120.200 119.950 0.061 0.000 2.515 50 F HA 0.060 4.594 4.527 0.011 0.000 0.353 50 F C 1.571 177.447 175.800 0.128 0.000 1.213 50 F CA -0.347 57.712 58.000 0.099 0.000 1.194 50 F CB 0.237 39.328 39.000 0.151 0.000 1.488 50 F HN -0.056 nan 8.300 nan 0.000 0.619 51 T N -1.467 113.208 114.554 0.202 0.000 3.086 51 T HA 0.214 4.569 4.350 0.007 0.000 0.250 51 T C 1.208 175.996 174.700 0.147 0.000 1.074 51 T CA -0.041 62.151 62.100 0.154 0.000 0.988 51 T CB -0.097 68.825 68.868 0.090 0.000 0.988 51 T HN 0.472 nan 8.240 nan 0.000 0.530 52 G N 2.955 111.863 108.800 0.180 0.000 2.732 52 G HA2 0.318 4.283 3.960 0.007 0.000 0.244 52 G HA3 0.318 4.283 3.960 0.007 0.000 0.244 52 G C -0.885 174.096 174.900 0.134 0.000 1.226 52 G CA -0.910 44.281 45.100 0.152 0.000 0.860 52 G HN 0.113 nan 8.290 nan 0.000 0.583 53 P HA -0.132 nan 4.420 nan 0.000 0.218 53 P C 1.659 179.017 177.300 0.096 0.000 1.148 53 P CA 1.861 65.010 63.100 0.083 0.000 0.822 53 P CB 0.172 31.911 31.700 0.064 0.000 0.784 54 A N -0.784 122.110 122.820 0.123 0.000 2.016 54 A HA 0.046 4.371 4.320 0.007 0.000 0.217 54 A C 2.238 179.959 177.584 0.228 0.000 1.162 54 A CA 0.892 53.017 52.037 0.147 0.000 0.662 54 A CB -1.045 18.023 19.000 0.113 0.000 0.812 54 A HN 0.164 nan 8.150 nan 0.000 0.450 55 L N -0.445 120.917 121.223 0.232 0.000 2.575 55 L HA 0.003 4.348 4.340 0.007 0.000 0.228 55 L C 2.592 179.601 176.870 0.233 0.000 1.075 55 L CA 0.808 55.816 54.840 0.280 0.000 0.867 55 L CB 0.014 42.280 42.059 0.344 0.000 1.097 55 L HN 0.461 nan 8.230 nan 0.000 0.485 56 S N 0.390 116.195 115.700 0.175 0.000 2.387 56 S HA -0.241 4.233 4.470 0.007 0.000 0.230 56 S C 1.678 176.315 174.600 0.061 0.000 1.035 56 S CA 1.259 59.541 58.200 0.136 0.000 1.014 56 S CB -0.336 62.923 63.200 0.098 0.000 0.836 56 S HN 0.414 nan 8.310 nan 0.000 0.466 57 K N 0.082 120.439 120.400 -0.072 0.000 2.387 57 K HA 0.193 4.517 4.320 0.007 0.000 0.198 57 K C 0.020 176.404 176.600 -0.360 0.000 1.022 57 K CA 0.239 56.391 56.287 -0.225 0.000 1.128 57 K CB 0.119 32.421 32.500 -0.330 0.000 0.853 57 K HN 0.622 nan 8.250 nan 0.000 0.523 58 H N -0.484 118.640 119.070 0.089 0.000 2.665 58 H HA 0.143 4.703 4.556 0.007 0.000 0.248 58 H C 0.655 176.007 175.328 0.040 0.000 1.175 58 H CA -0.216 55.864 56.048 0.052 0.000 0.952 58 H CB 0.650 30.419 29.762 0.013 0.000 1.883 58 H HN 0.075 nan 8.280 nan 0.000 0.623 59 Q N -0.259 119.668 119.800 0.211 0.000 2.297 59 Q HA -0.206 4.139 4.340 0.007 0.000 0.208 59 Q C 1.338 177.439 176.000 0.169 0.000 0.981 59 Q CA 1.173 57.138 55.803 0.270 0.000 0.876 59 Q CB 0.019 28.945 28.738 0.312 0.000 0.921 59 Q HN 0.610 nan 8.270 nan 0.000 0.446 60 H N 0.142 119.242 119.070 0.050 0.000 2.521 60 H HA -0.076 4.484 4.556 0.006 0.000 0.286 60 H C 1.787 177.065 175.328 -0.084 0.000 1.034 60 H CA 1.232 57.284 56.048 0.007 0.000 1.278 60 H CB 0.155 29.928 29.762 0.017 0.000 1.386 60 H HN 0.194 nan 8.280 nan 0.000 0.567 61 V N -1.922 117.843 119.914 -0.248 0.000 2.720 61 V HA -0.182 3.943 4.120 0.007 0.000 0.256 61 V C 1.663 177.427 176.094 -0.550 0.000 1.082 61 V CA 1.587 63.638 62.300 -0.416 0.000 1.101 61 V CB -1.190 30.357 31.823 -0.460 0.000 0.693 61 V HN 0.305 nan 8.190 nan 0.000 0.479 62 F N 0.378 120.200 119.950 -0.213 0.000 2.811 62 F HA 0.218 4.754 4.527 0.014 0.000 0.301 62 F C 1.790 177.456 175.800 -0.224 0.000 1.151 62 F CA 0.507 58.373 58.000 -0.224 0.000 1.412 62 F CB -0.024 38.871 39.000 -0.175 0.000 1.113 62 F HN 0.193 nan 8.300 nan 0.000 0.579 63 D N -0.465 119.795 120.400 -0.234 0.000 2.369 63 D HA 0.019 4.663 4.640 0.007 0.000 0.211 63 D C 0.848 176.977 176.300 -0.284 0.000 1.077 63 D CA 0.361 54.192 54.000 -0.282 0.000 0.842 63 D CB 0.155 40.685 40.800 -0.450 0.000 0.947 63 D HN 0.147 nan 8.370 nan 0.000 0.509 64 E N 0.132 120.166 120.200 -0.277 0.000 2.392 64 E HA 0.054 4.409 4.350 0.007 0.000 0.256 64 E C 1.343 177.851 176.600 -0.154 0.000 1.145 64 E CA 0.231 56.515 56.400 -0.193 0.000 0.929 64 E CB 0.840 30.437 29.700 -0.171 0.000 0.998 64 E HN 0.072 nan 8.360 nan 0.000 0.442 65 T N -3.014 111.457 114.554 -0.138 0.000 3.107 65 T HA 0.050 4.404 4.350 0.007 0.000 0.249 65 T C 0.759 175.369 174.700 -0.149 0.000 1.096 65 T CA 0.221 62.226 62.100 -0.157 0.000 1.012 65 T CB -0.149 68.628 68.868 -0.152 0.000 0.977 65 T HN 0.466 nan 8.240 nan 0.000 0.527 66 T N -1.502 112.973 114.554 -0.132 0.000 2.864 66 T HA 0.610 4.965 4.350 0.007 0.000 0.299 66 T C 0.483 175.094 174.700 -0.149 0.000 1.166 66 T CA -0.996 61.023 62.100 -0.135 0.000 1.007 66 T CB 1.383 70.177 68.868 -0.124 0.000 1.219 66 T HN -0.010 nan 8.240 nan 0.000 0.506 67 L N 1.055 122.163 121.223 -0.191 0.000 2.554 67 L HA 0.101 4.446 4.340 0.007 0.000 0.226 67 L C 2.050 178.759 176.870 -0.269 0.000 1.137 67 L CA 0.203 54.908 54.840 -0.226 0.000 0.863 67 L CB -0.764 41.101 42.059 -0.323 0.000 0.985 67 L HN 0.652 nan 8.230 nan 0.000 0.451 68 N N 0.628 119.190 118.700 -0.231 0.000 2.036 68 N HA -0.254 4.491 4.740 0.007 0.000 0.199 68 N C 1.521 176.938 175.510 -0.155 0.000 1.036 68 N CA 1.892 54.828 53.050 -0.191 0.000 0.870 68 N CB -0.293 38.122 38.487 -0.121 0.000 1.055 68 N HN 0.266 nan 8.380 nan 0.000 0.436 69 N N -0.295 118.334 118.700 -0.118 0.000 2.166 69 N HA -0.121 4.623 4.740 0.007 0.000 0.186 69 N C 1.497 176.958 175.510 -0.081 0.000 1.019 69 N CA 0.559 53.552 53.050 -0.096 0.000 0.856 69 N CB -0.502 37.935 38.487 -0.084 0.000 0.993 69 N HN 0.230 nan 8.380 nan 0.000 0.426 70 F N 1.451 121.234 119.950 -0.278 0.000 2.146 70 F HA 0.030 4.563 4.527 0.009 0.000 0.298 70 F C 2.169 177.923 175.800 -0.078 0.000 1.096 70 F CA 1.014 58.859 58.000 -0.257 0.000 1.275 70 F CB -0.311 38.474 39.000 -0.357 0.000 1.008 70 F HN -0.070 nan 8.300 nan 0.000 0.480 71 M N -0.258 119.104 119.600 -0.396 0.000 2.117 71 M HA -0.108 4.376 4.480 0.007 0.000 0.262 71 M C 2.402 178.749 176.300 0.079 0.000 1.065 71 M CA 1.725 56.755 55.300 -0.449 0.000 1.114 71 M CB -1.189 31.017 32.600 -0.657 0.000 1.361 71 M HN 0.270 nan 8.290 nan 0.000 0.408 72 G N -0.014 108.767 108.800 -0.031 0.000 2.509 72 G HA2 -0.094 3.870 3.960 0.007 0.000 0.218 72 G HA3 -0.094 3.870 3.960 0.007 0.000 0.218 72 G C 1.473 176.328 174.900 -0.075 0.000 1.124 72 G CA 0.281 45.374 45.100 -0.013 0.000 0.776 72 G HN 0.338 nan 8.290 nan 0.000 0.547 73 L N 0.061 121.213 121.223 -0.117 0.000 2.201 73 L HA 0.191 4.536 4.340 0.007 0.000 0.212 73 L C 1.612 178.238 176.870 -0.406 0.000 1.105 73 L CA 0.692 55.384 54.840 -0.247 0.000 0.775 73 L CB -0.715 41.209 42.059 -0.226 0.000 0.913 73 L HN 0.445 nan 8.230 nan 0.000 0.440 74 G N -0.499 107.911 108.800 -0.650 0.000 2.663 74 G HA2 -0.231 3.734 3.960 0.007 0.000 0.686 74 G HA3 -0.231 3.734 3.960 0.007 0.000 0.686 74 G C 0.374 174.089 174.900 -1.975 0.000 1.288 74 G CA 0.000 44.396 45.100 -1.173 0.000 0.836 74 G HN 0.333 nan 8.290 nan 0.000 0.584 75 Q N -0.391 118.423 119.800 -1.644 0.000 2.181 75 Q HA -0.012 4.332 4.340 0.007 0.000 0.205 75 Q C 2.653 178.395 176.000 -0.429 0.000 0.980 75 Q CA 2.805 58.036 55.803 -0.954 0.000 0.862 75 Q CB -0.285 28.203 28.738 -0.416 0.000 0.905 75 Q HN 1.706 nan 8.270 nan 0.000 0.429 76 A N 1.551 124.156 122.820 -0.358 0.000 1.902 76 A HA -0.008 4.317 4.320 0.007 0.000 0.217 76 A C 2.433 179.971 177.584 -0.076 0.000 1.181 76 A CA 1.671 53.621 52.037 -0.145 0.000 0.623 76 A CB -0.914 18.020 19.000 -0.110 0.000 0.818 76 A HN 0.569 nan 8.150 nan 0.000 0.443 77 A N -1.013 121.703 122.820 -0.173 0.000 1.898 77 A HA -0.090 4.235 4.320 0.007 0.000 0.216 77 A C 1.979 179.696 177.584 0.221 0.000 1.181 77 A CA 1.421 53.468 52.037 0.017 0.000 0.620 77 A CB -0.800 18.170 19.000 -0.051 0.000 0.819 77 A HN 0.729 nan 8.150 nan 0.000 0.442 78 W N 0.443 121.732 121.300 -0.017 0.000 2.358 78 W HA -0.071 4.594 4.660 0.009 0.000 0.303 78 W C 2.099 178.713 176.519 0.157 0.000 1.208 78 W CA 1.161 58.524 57.345 0.031 0.000 1.274 78 W CB -1.028 28.373 29.460 -0.098 0.000 1.138 78 W HN 0.346 nan 8.180 nan 0.000 0.515 79 K N 0.143 120.726 120.400 0.305 0.000 2.097 79 K HA -0.177 4.148 4.320 0.007 0.000 0.205 79 K C 1.918 178.654 176.600 0.227 0.000 1.050 79 K CA 1.554 57.978 56.287 0.230 0.000 0.938 79 K CB -0.390 32.199 32.500 0.147 0.000 0.718 79 K HN 0.131 nan 8.250 nan 0.000 0.442 80 E N 0.761 121.096 120.200 0.224 0.000 2.077 80 E HA -0.187 4.167 4.350 0.007 0.000 0.193 80 E C 1.929 178.718 176.600 0.315 0.000 0.989 80 E CA 1.003 57.544 56.400 0.235 0.000 0.800 80 E CB -0.009 29.822 29.700 0.219 0.000 0.746 80 E HN 0.311 nan 8.360 nan 0.000 0.452 81 A N 1.399 124.449 122.820 0.384 0.000 1.902 81 A HA -0.209 4.116 4.320 0.007 0.000 0.217 81 A C 2.196 180.022 177.584 0.404 0.000 1.181 81 A CA 1.634 53.916 52.037 0.409 0.000 0.623 81 A CB -0.561 18.737 19.000 0.496 0.000 0.818 81 A HN 0.220 nan 8.150 nan 0.000 0.443 82 R N -0.475 120.243 120.500 0.364 0.000 2.073 82 R HA -0.089 4.256 4.340 0.007 0.000 0.234 82 R C 2.336 178.746 176.300 0.184 0.000 1.134 82 R CA 1.446 57.698 56.100 0.254 0.000 0.952 82 R CB -0.421 30.011 30.300 0.220 0.000 0.850 82 R HN 0.436 nan 8.270 nan 0.000 0.433 83 A N 0.040 122.970 122.820 0.183 0.000 1.908 83 A HA -0.150 4.175 4.320 0.007 0.000 0.218 83 A C 2.203 179.868 177.584 0.134 0.000 1.181 83 A CA 1.987 54.105 52.037 0.136 0.000 0.627 83 A CB -0.572 18.506 19.000 0.130 0.000 0.818 83 A HN 0.428 nan 8.150 nan 0.000 0.445 84 S N -0.183 115.633 115.700 0.194 0.000 2.356 84 S HA -0.078 4.397 4.470 0.007 0.000 0.223 84 S C 1.850 176.510 174.600 0.099 0.000 1.032 84 S CA 1.401 59.696 58.200 0.158 0.000 1.005 84 S CB -0.460 62.899 63.200 0.265 0.000 0.867 84 S HN 0.506 nan 8.310 nan 0.000 0.449 85 L N 1.361 122.681 121.223 0.161 0.000 2.017 85 L HA -0.187 4.158 4.340 0.007 0.000 0.208 85 L C 2.768 179.657 176.870 0.032 0.000 1.073 85 L CA 1.345 56.235 54.840 0.083 0.000 0.745 85 L CB -0.589 41.529 42.059 0.098 0.000 0.894 85 L HN 0.369 nan 8.230 nan 0.000 0.432 86 Q N -0.593 119.230 119.800 0.038 0.000 2.170 86 Q HA -0.206 4.138 4.340 0.007 0.000 0.203 86 Q C 2.005 178.016 176.000 0.018 0.000 0.976 86 Q CA 1.303 57.112 55.803 0.009 0.000 0.858 86 Q CB -0.227 28.517 28.738 0.009 0.000 0.907 86 Q HN 0.533 nan 8.270 nan 0.000 0.433 87 N N 0.780 119.502 118.700 0.036 0.000 2.135 87 N HA -0.111 4.634 4.740 0.007 0.000 0.186 87 N C 1.867 177.408 175.510 0.052 0.000 1.027 87 N CA 0.714 53.787 53.050 0.039 0.000 0.849 87 N CB 0.049 38.560 38.487 0.039 0.000 1.002 87 N HN 0.194 nan 8.380 nan 0.000 0.425 88 L N 0.924 122.174 121.223 0.044 0.000 2.131 88 L HA -0.112 4.233 4.340 0.007 0.000 0.210 88 L C 2.205 179.193 176.870 0.197 0.000 1.092 88 L CA 0.786 55.675 54.840 0.082 0.000 0.759 88 L CB -0.201 41.863 42.059 0.010 0.000 0.903 88 L HN 0.214 nan 8.230 nan 0.000 0.435 89 L N -0.832 120.444 121.223 0.087 0.000 2.446 89 L HA 0.039 4.384 4.340 0.007 0.000 0.219 89 L C 1.355 178.204 176.870 -0.036 0.000 1.116 89 L CA -0.253 54.560 54.840 -0.044 0.000 0.844 89 L CB -0.193 41.776 42.059 -0.150 0.000 0.970 89 L HN 0.235 nan 8.230 nan 0.000 0.457 90 S N 0.471 116.205 115.700 0.055 0.000 2.525 90 S HA 0.186 4.660 4.470 0.007 0.000 0.285 90 S C 1.435 176.132 174.600 0.162 0.000 1.283 90 S CA -0.051 58.183 58.200 0.057 0.000 1.072 90 S CB 1.547 64.769 63.200 0.038 0.000 0.867 90 S HN 0.237 nan 8.310 nan 0.000 0.492 91 A N 3.464 126.366 122.820 0.137 0.000 2.093 91 A HA -0.125 4.199 4.320 0.007 0.000 0.222 91 A C 2.266 179.920 177.584 0.116 0.000 1.162 91 A CA 1.884 54.032 52.037 0.184 0.000 0.655 91 A CB -1.217 17.843 19.000 0.100 0.000 0.805 91 A HN 1.416 nan 8.150 nan 0.000 0.461 92 S N -1.611 114.135 115.700 0.077 0.000 2.575 92 S HA 0.152 4.626 4.470 0.007 0.000 0.215 92 S C 0.549 175.170 174.600 0.035 0.000 0.966 92 S CA -0.297 57.928 58.200 0.041 0.000 0.911 92 S CB 0.112 63.328 63.200 0.026 0.000 0.780 92 S HN 0.473 nan 8.310 nan 0.000 0.514 93 Q N 0.718 120.554 119.800 0.061 0.000 2.257 93 Q HA 0.632 4.976 4.340 0.007 0.000 0.255 93 Q C 0.756 176.757 176.000 0.001 0.000 0.920 93 Q CA 0.089 55.917 55.803 0.042 0.000 0.927 93 Q CB 1.681 30.461 28.738 0.070 0.000 1.229 93 Q HN 0.332 nan 8.270 nan 0.000 0.433 94 A N 3.235 126.039 122.820 -0.026 0.000 1.903 94 A HA -0.116 4.209 4.320 0.007 0.000 0.213 94 A C 1.914 179.451 177.584 -0.077 0.000 1.185 94 A CA 0.940 52.936 52.037 -0.067 0.000 0.628 94 A CB -0.134 18.836 19.000 -0.051 0.000 0.830 94 A HN 0.637 nan 8.150 nan 0.000 0.446 95 R N -0.180 120.295 120.500 -0.040 0.000 2.206 95 R HA -0.229 4.115 4.340 0.007 0.000 0.240 95 R C 1.823 178.098 176.300 -0.042 0.000 1.117 95 R CA 2.528 58.606 56.100 -0.036 0.000 0.915 95 R CB -1.119 29.168 30.300 -0.023 0.000 0.888 95 R HN 0.466 nan 8.270 nan 0.000 0.432 96 L N 0.264 121.477 121.223 -0.016 0.000 2.249 96 L HA 0.164 4.509 4.340 0.007 0.000 0.207 96 L C 2.413 179.206 176.870 -0.129 0.000 1.090 96 L CA 1.536 56.389 54.840 0.022 0.000 0.802 96 L CB -0.578 41.589 42.059 0.179 0.000 0.947 96 L HN 0.264 nan 8.230 nan 0.000 0.453 97 R N -0.421 119.826 120.500 -0.421 0.000 2.091 97 R HA -0.166 4.178 4.340 0.007 0.000 0.238 97 R C 1.162 177.181 176.300 -0.468 0.000 1.136 97 R CA 2.024 57.547 56.100 -0.962 0.000 0.959 97 R CB -0.191 29.535 30.300 -0.957 0.000 0.856 97 R HN 0.415 nan 8.270 nan 0.000 0.437 98 D N -0.057 120.188 120.400 -0.259 0.000 2.346 98 D HA -0.054 4.591 4.640 0.007 0.000 0.206 98 D C -0.053 176.189 176.300 -0.096 0.000 1.001 98 D CA 0.397 54.303 54.000 -0.157 0.000 0.871 98 D CB -0.073 40.657 40.800 -0.116 0.000 0.943 98 D HN 0.156 nan 8.370 nan 0.000 0.518 99 D N 1.738 122.092 120.400 -0.076 0.000 2.551 99 D HA -0.021 4.623 4.640 0.007 0.000 0.223 99 D C 1.399 177.689 176.300 -0.017 0.000 1.144 99 D CA -0.032 53.946 54.000 -0.036 0.000 1.025 99 D CB 0.271 41.059 40.800 -0.021 0.000 1.085 99 D HN -0.035 nan 8.370 nan 0.000 0.506 100 K N 1.960 122.346 120.400 -0.024 0.000 2.077 100 K HA -0.281 4.044 4.320 0.007 0.000 0.213 100 K C 1.608 178.221 176.600 0.021 0.000 1.051 100 K CA 1.731 58.015 56.287 -0.006 0.000 0.929 100 K CB 0.105 32.597 32.500 -0.013 0.000 0.715 100 K HN 0.408 nan 8.250 nan 0.000 0.451 101 E N 0.149 120.359 120.200 0.017 0.000 2.077 101 E HA -0.219 4.136 4.350 0.007 0.000 0.193 101 E C 2.103 178.726 176.600 0.037 0.000 0.989 101 E CA 1.196 57.611 56.400 0.026 0.000 0.800 101 E CB -0.095 29.615 29.700 0.018 0.000 0.746 101 E HN 0.300 nan 8.360 nan 0.000 0.452 102 L N 1.281 122.524 121.223 0.033 0.000 2.056 102 L HA -0.112 4.233 4.340 0.007 0.000 0.207 102 L C 2.528 179.438 176.870 0.067 0.000 1.078 102 L CA 1.784 56.645 54.840 0.034 0.000 0.749 102 L CB -0.452 41.618 42.059 0.019 0.000 0.901 102 L HN 0.023 nan 8.230 nan 0.000 0.433 103 R N -0.860 119.705 120.500 0.109 0.000 2.105 103 R HA -0.202 4.142 4.340 0.007 0.000 0.239 103 R C 2.236 178.696 176.300 0.268 0.000 1.135 103 R CA 1.955 58.201 56.100 0.244 0.000 0.967 103 R CB -0.209 30.201 30.300 0.184 0.000 0.861 103 R HN 0.561 nan 8.270 nan 0.000 0.442 104 Q N -0.716 119.172 119.800 0.148 0.000 2.230 104 Q HA -0.086 4.259 4.340 0.007 0.000 0.202 104 Q C 1.973 178.043 176.000 0.117 0.000 0.963 104 Q CA 1.078 56.957 55.803 0.128 0.000 0.866 104 Q CB 0.182 28.966 28.738 0.076 0.000 0.931 104 Q HN 0.336 nan 8.270 nan 0.000 0.452 105 R N -0.546 120.006 120.500 0.088 0.000 2.189 105 R HA 0.133 4.478 4.340 0.007 0.000 0.203 105 R C 1.964 178.284 176.300 0.033 0.000 1.012 105 R CA 0.714 56.849 56.100 0.059 0.000 1.015 105 R CB 0.133 30.455 30.300 0.037 0.000 0.938 105 R HN 0.098 nan 8.270 nan 0.000 0.472 106 A N 0.582 123.395 122.820 -0.012 0.000 2.016 106 A HA 0.078 4.403 4.320 0.007 0.000 0.217 106 A C 0.427 177.808 177.584 -0.340 0.000 1.162 106 A CA 0.654 52.568 52.037 -0.206 0.000 0.662 106 A CB 0.078 18.859 19.000 -0.364 0.000 0.812 106 A HN 0.061 nan 8.150 nan 0.000 0.450 107 F N -1.109 118.860 119.950 0.032 0.000 2.458 107 F HA 0.603 5.135 4.527 0.009 0.000 0.330 107 F C 0.542 176.348 175.800 0.010 0.000 1.082 107 F CA -0.169 57.832 58.000 0.002 0.000 0.995 107 F CB 2.035 41.038 39.000 0.004 0.000 1.170 107 F HN -0.100 nan 8.300 nan 0.000 0.478 108 T N 0.651 115.305 114.554 0.167 0.000 2.894 108 T HA 0.371 4.725 4.350 0.007 0.000 0.309 108 T C -1.030 173.702 174.700 0.054 0.000 1.208 108 T CA -0.604 61.560 62.100 0.105 0.000 1.016 108 T CB 1.548 70.487 68.868 0.119 0.000 1.192 108 T HN 0.617 nan 8.240 nan 0.000 0.491 109 S N 1.689 117.422 115.700 0.055 0.000 2.565 109 S HA 0.229 4.703 4.470 0.007 0.000 0.276 109 S C 1.294 175.912 174.600 0.030 0.000 1.326 109 S CA -0.135 58.085 58.200 0.034 0.000 1.045 109 S CB 0.932 64.157 63.200 0.041 0.000 0.918 109 S HN 0.770 nan 8.310 nan 0.000 0.505 110 Q N 3.157 122.969 119.800 0.020 0.000 2.124 110 Q HA -0.069 4.276 4.340 0.007 0.000 0.202 110 Q C 2.241 178.291 176.000 0.084 0.000 0.977 110 Q CA 1.488 57.324 55.803 0.055 0.000 0.850 110 Q CB -0.318 28.455 28.738 0.059 0.000 0.901 110 Q HN 0.916 nan 8.270 nan 0.000 0.429 111 A N 0.743 123.605 122.820 0.069 0.000 2.225 111 A HA -0.118 4.206 4.320 0.007 0.000 0.215 111 A C 1.837 179.462 177.584 0.069 0.000 1.164 111 A CA 1.516 53.595 52.037 0.069 0.000 0.710 111 A CB -0.169 18.865 19.000 0.056 0.000 0.780 111 A HN 0.376 nan 8.150 nan 0.000 0.473 112 S N -2.356 113.389 115.700 0.076 0.000 2.701 112 S HA 0.653 5.127 4.470 0.007 0.000 0.242 112 S C 0.471 175.136 174.600 0.109 0.000 1.025 112 S CA 0.262 58.511 58.200 0.081 0.000 1.016 112 S CB -0.113 63.133 63.200 0.076 0.000 0.977 112 S HN 0.792 nan 8.310 nan 0.000 0.546 113 A N 1.288 124.183 122.820 0.126 0.000 2.306 113 A HA 0.754 5.078 4.320 0.007 0.000 0.330 113 A C -0.096 177.570 177.584 0.137 0.000 1.146 113 A CA -0.476 51.673 52.037 0.188 0.000 0.827 113 A CB 0.886 20.025 19.000 0.232 0.000 1.178 113 A HN 0.257 nan 8.150 nan 0.000 0.490 114 T N 3.524 118.162 114.554 0.140 0.000 2.771 114 T HA 0.473 4.828 4.350 0.007 0.000 0.281 114 T C -0.072 174.620 174.700 -0.014 0.000 0.982 114 T CA -0.381 61.728 62.100 0.015 0.000 0.978 114 T CB 0.612 69.459 68.868 -0.035 0.000 0.930 114 T HN 0.534 nan 8.240 nan 0.000 0.447 115 M N 3.339 122.871 119.600 -0.113 0.000 2.342 115 M HA 0.423 4.907 4.480 0.007 0.000 0.332 115 M C 0.327 176.443 176.300 -0.307 0.000 1.166 115 M CA -0.397 54.821 55.300 -0.137 0.000 1.086 115 M CB 0.658 33.137 32.600 -0.200 0.000 1.541 115 M HN 0.626 nan 8.290 nan 0.000 0.462 116 H N 0.682 119.690 119.070 -0.103 0.000 2.864 116 H HA 0.501 5.061 4.556 0.008 0.000 0.354 116 H C -0.641 174.633 175.328 -0.090 0.000 1.208 116 H CA -1.002 54.997 56.048 -0.081 0.000 1.191 116 H CB 1.650 31.363 29.762 -0.082 0.000 1.889 116 H HN 0.486 nan 8.280 nan 0.000 0.574 117 L N 3.164 124.427 121.223 0.067 0.000 2.490 117 L HA -0.014 4.330 4.340 0.007 0.000 0.274 117 L C -0.996 175.865 176.870 -0.015 0.000 1.201 117 L CA -1.166 53.689 54.840 0.025 0.000 0.869 117 L CB 0.544 42.623 42.059 0.033 0.000 1.123 117 L HN 0.445 nan 8.230 nan 0.000 0.484 118 P HA -0.028 nan 4.420 nan 0.000 0.226 118 P C -0.041 177.117 177.300 -0.237 0.000 1.153 118 P CA 0.739 63.746 63.100 -0.155 0.000 0.777 118 P CB 0.479 32.059 31.700 -0.199 0.000 0.794 119 A N -1.480 121.221 122.820 -0.198 0.000 2.599 119 A HA 0.548 4.872 4.320 0.007 0.000 0.290 119 A C -0.911 176.638 177.584 -0.057 0.000 1.101 119 A CA -0.419 51.504 52.037 -0.191 0.000 0.674 119 A CB 0.473 19.255 19.000 -0.363 0.000 1.277 119 A HN -0.165 nan 8.150 nan 0.000 0.419 120 T N 1.864 116.389 114.554 -0.048 0.000 2.723 120 T HA 0.412 4.766 4.350 0.007 0.000 0.297 120 T C 0.012 174.731 174.700 0.032 0.000 0.925 120 T CA 0.402 62.498 62.100 -0.007 0.000 1.030 120 T CB -0.600 68.255 68.868 -0.021 0.000 0.905 120 T HN 0.359 nan 8.240 nan 0.000 0.502 121 I N 3.491 124.103 120.570 0.070 0.000 2.347 121 I HA 0.195 4.370 4.170 0.007 0.000 0.294 121 I C 1.682 177.840 176.117 0.067 0.000 1.090 121 I CA -0.211 61.152 61.300 0.104 0.000 1.314 121 I CB 0.805 38.875 38.000 0.116 0.000 1.423 121 I HN 0.781 nan 8.210 nan 0.000 0.503 122 G N 5.273 114.106 108.800 0.055 0.000 2.402 122 G HA2 -0.079 3.885 3.960 0.007 0.000 0.216 122 G HA3 -0.079 3.885 3.960 0.007 0.000 0.216 122 G C 0.413 175.337 174.900 0.039 0.000 1.162 122 G CA 0.607 45.727 45.100 0.034 0.000 0.777 122 G HN 0.547 nan 8.290 nan 0.000 0.539 123 D N -2.343 118.089 120.400 0.053 0.000 2.753 123 D HA 0.359 5.003 4.640 0.007 0.000 0.224 123 D C -1.867 174.499 176.300 0.110 0.000 1.213 123 D CA -0.523 53.513 54.000 0.060 0.000 0.833 123 D CB 2.471 43.286 40.800 0.025 0.000 1.607 123 D HN 0.171 nan 8.370 nan 0.000 0.463 124 Y N 0.423 120.708 120.300 -0.024 0.000 2.391 124 Y HA 0.504 5.058 4.550 0.006 0.000 0.341 124 Y C -1.296 174.553 175.900 -0.084 0.000 0.965 124 Y CA -0.278 57.780 58.100 -0.071 0.000 1.067 124 Y CB 1.853 40.268 38.460 -0.075 0.000 1.199 124 Y HN 0.126 nan 8.280 nan 0.000 0.450 125 T N 5.297 119.605 114.554 -0.411 0.000 2.861 125 T HA 0.226 4.580 4.350 0.007 0.000 0.287 125 T C -1.844 172.399 174.700 -0.762 0.000 1.003 125 T CA -0.583 61.131 62.100 -0.643 0.000 0.977 125 T CB 1.355 70.083 68.868 -0.235 0.000 0.996 125 T HN 0.620 nan 8.240 nan 0.000 0.448 126 D N 1.309 121.065 120.400 -1.073 0.000 2.502 126 D HA 0.544 5.188 4.640 0.007 0.000 0.249 126 D C -0.809 175.173 176.300 -0.530 0.000 1.092 126 D CA -0.516 53.104 54.000 -0.633 0.000 0.839 126 D CB 0.688 41.095 40.800 -0.656 0.000 1.264 126 D HN 0.192 nan 8.370 nan 0.000 0.511 127 F N 1.740 121.695 119.950 0.007 0.000 2.321 127 F HA 0.352 4.882 4.527 0.005 0.000 0.318 127 F C 0.296 176.295 175.800 0.330 0.000 1.129 127 F CA -0.551 57.531 58.000 0.136 0.000 1.074 127 F CB 0.618 39.702 39.000 0.140 0.000 1.432 127 F HN 0.315 nan 8.300 nan 0.000 0.502 128 Y N 0.028 120.599 120.300 0.451 0.000 2.658 128 Y HA 0.285 4.839 4.550 0.007 0.000 0.273 128 Y C 0.678 176.951 175.900 0.621 0.000 0.992 128 Y CA -1.037 57.362 58.100 0.499 0.000 1.105 128 Y CB -0.197 38.558 38.460 0.491 0.000 1.188 128 Y HN 0.408 nan 8.280 nan 0.000 0.616 129 S N -0.819 115.248 115.700 0.611 0.000 2.603 129 S HA -0.010 4.465 4.470 0.007 0.000 0.220 129 S C 0.881 175.856 174.600 0.625 0.000 0.967 129 S CA 0.372 58.920 58.200 0.580 0.000 0.920 129 S CB 0.010 63.481 63.200 0.453 0.000 0.773 129 S HN 0.392 nan 8.310 nan 0.000 0.529 130 S N 1.597 117.620 115.700 0.538 0.000 2.411 130 S HA 0.302 4.776 4.470 0.007 0.000 0.294 130 S C 1.104 175.874 174.600 0.283 0.000 1.115 130 S CA -0.773 57.661 58.200 0.390 0.000 1.071 130 S CB 0.651 64.033 63.200 0.304 0.000 0.967 130 S HN 0.410 nan 8.310 nan 0.000 0.488 131 R N 3.035 123.654 120.500 0.199 0.000 2.091 131 R HA -0.155 4.190 4.340 0.007 0.000 0.238 131 R C 2.029 178.122 176.300 -0.345 0.000 1.136 131 R CA 1.999 57.916 56.100 -0.304 0.000 0.959 131 R CB -0.271 29.882 30.300 -0.245 0.000 0.856 131 R HN 0.694 nan 8.270 nan 0.000 0.437 132 Q N -0.562 119.157 119.800 -0.136 0.000 2.119 132 Q HA -0.192 4.152 4.340 0.007 0.000 0.201 132 Q C 1.758 177.638 176.000 -0.200 0.000 0.972 132 Q CA 2.120 57.832 55.803 -0.152 0.000 0.847 132 Q CB -0.254 28.453 28.738 -0.052 0.000 0.903 132 Q HN 0.555 nan 8.270 nan 0.000 0.433 133 H N -0.703 118.268 119.070 -0.165 0.000 2.326 133 H HA 0.039 4.600 4.556 0.008 0.000 0.301 133 H C 1.626 176.833 175.328 -0.202 0.000 1.081 133 H CA 2.116 58.081 56.048 -0.138 0.000 1.334 133 H CB -0.304 29.481 29.762 0.037 0.000 1.385 133 H HN 0.279 nan 8.280 nan 0.000 0.504 134 A N -0.529 122.030 122.820 -0.435 0.000 1.902 134 A HA -0.171 4.154 4.320 0.007 0.000 0.217 134 A C 2.476 179.688 177.584 -0.620 0.000 1.181 134 A CA 2.081 53.666 52.037 -0.754 0.000 0.623 134 A CB -1.036 17.141 19.000 -1.372 0.000 0.818 134 A HN 0.590 nan 8.150 nan 0.000 0.443 135 T N 0.663 114.876 114.554 -0.569 0.000 2.737 135 T HA -0.130 4.225 4.350 0.007 0.000 0.265 135 T C 1.868 176.377 174.700 -0.318 0.000 1.038 135 T CA 1.443 63.297 62.100 -0.411 0.000 1.144 135 T CB -0.422 68.242 68.868 -0.340 0.000 0.866 135 T HN 0.488 nan 8.240 nan 0.000 0.434 136 N N 1.040 119.530 118.700 -0.350 0.000 2.069 136 N HA -0.077 4.667 4.740 0.007 0.000 0.191 136 N C 1.990 177.177 175.510 -0.537 0.000 1.031 136 N CA 0.837 53.683 53.050 -0.340 0.000 0.852 136 N CB -0.918 37.288 38.487 -0.468 0.000 1.018 136 N HN 0.183 nan 8.380 nan 0.000 0.423 137 V N 0.754 120.292 119.914 -0.626 0.000 2.343 137 V HA -0.158 3.967 4.120 0.007 0.000 0.247 137 V C 2.413 178.113 176.094 -0.657 0.000 1.051 137 V CA 2.045 63.884 62.300 -0.767 0.000 1.036 137 V CB -1.288 30.156 31.823 -0.632 0.000 0.654 137 V HN 0.376 nan 8.190 nan 0.000 0.451 138 G N -0.068 108.514 108.800 -0.364 0.000 2.440 138 G HA2 -0.243 3.721 3.960 0.007 0.000 0.218 138 G HA3 -0.243 3.721 3.960 0.007 0.000 0.218 138 G C 1.576 176.390 174.900 -0.144 0.000 1.154 138 G CA 1.136 46.126 45.100 -0.183 0.000 0.767 138 G HN 0.497 nan 8.290 nan 0.000 0.552 139 I N 0.321 120.794 120.570 -0.161 0.000 2.286 139 I HA -0.195 3.979 4.170 0.007 0.000 0.248 139 I C 2.913 178.998 176.117 -0.053 0.000 1.115 139 I CA 1.118 62.394 61.300 -0.041 0.000 1.392 139 I CB -0.166 37.889 38.000 0.092 0.000 1.065 139 I HN 0.197 nan 8.210 nan 0.000 0.418 140 M N -0.771 118.666 119.600 -0.273 0.000 2.254 140 M HA -0.109 4.375 4.480 0.007 0.000 0.265 140 M C 2.014 178.362 176.300 0.080 0.000 1.066 140 M CA 1.927 57.067 55.300 -0.266 0.000 1.123 140 M CB -0.163 32.046 32.600 -0.652 0.000 1.388 140 M HN 0.175 nan 8.290 nan 0.000 0.425 141 F N -1.011 118.899 119.950 -0.066 0.000 2.437 141 F HA 0.087 4.618 4.527 0.007 0.000 0.288 141 F C 2.231 178.041 175.800 0.017 0.000 1.085 141 F CA 0.142 58.137 58.000 -0.009 0.000 1.430 141 F CB 0.133 39.147 39.000 0.022 0.000 1.120 141 F HN -0.018 nan 8.300 nan 0.000 0.556 142 R N 0.067 120.685 120.500 0.196 0.000 2.344 142 R HA 0.314 4.658 4.340 0.007 0.000 0.209 142 R C 0.276 176.622 176.300 0.077 0.000 0.886 142 R CA 0.447 56.620 56.100 0.122 0.000 1.040 142 R CB 1.086 31.449 30.300 0.105 0.000 1.114 142 R HN 0.277 nan 8.270 nan 0.000 0.547 143 G N 1.472 110.311 108.800 0.064 0.000 2.663 143 G HA2 -0.242 3.722 3.960 0.007 0.000 0.686 143 G HA3 -0.242 3.722 3.960 0.007 0.000 0.686 143 G C -0.018 174.901 174.900 0.032 0.000 1.246 143 G CA -0.152 44.981 45.100 0.055 0.000 0.795 143 G HN 0.097 nan 8.290 nan 0.000 0.627 144 K N -0.024 120.397 120.400 0.034 0.000 2.059 144 K HA -0.223 4.101 4.320 0.007 0.000 0.212 144 K C 2.252 178.850 176.600 -0.003 0.000 1.050 144 K CA 2.503 58.798 56.287 0.013 0.000 0.927 144 K CB -0.149 32.361 32.500 0.016 0.000 0.714 144 K HN 0.502 nan 8.250 nan 0.000 0.447 145 E N 0.620 120.824 120.200 0.007 0.000 2.153 145 E HA -0.113 4.241 4.350 0.007 0.000 0.194 145 E C 0.475 177.077 176.600 0.003 0.000 0.988 145 E CA 1.293 57.695 56.400 0.004 0.000 0.811 145 E CB 0.120 29.827 29.700 0.012 0.000 0.746 145 E HN 0.320 nan 8.360 nan 0.000 0.466 146 N N -0.510 118.196 118.700 0.009 0.000 2.338 146 N HA 0.197 4.941 4.740 0.007 0.000 0.251 146 N C 0.503 176.014 175.510 0.001 0.000 1.199 146 N CA 0.534 53.593 53.050 0.014 0.000 0.879 146 N CB 1.059 39.566 38.487 0.033 0.000 1.159 146 N HN 0.143 nan 8.380 nan 0.000 0.514 147 A N 0.633 123.433 122.820 -0.034 0.000 1.859 147 A HA -0.106 4.218 4.320 0.007 0.000 0.217 147 A C 0.888 178.403 177.584 -0.116 0.000 1.198 147 A CA 1.162 53.150 52.037 -0.082 0.000 0.629 147 A CB -0.209 18.718 19.000 -0.122 0.000 0.830 147 A HN 0.222 nan 8.150 nan 0.000 0.446 148 L N 0.501 121.640 121.223 -0.139 0.000 2.257 148 L HA 0.410 4.755 4.340 0.007 0.000 0.290 148 L C -0.132 176.739 176.870 0.002 0.000 1.044 148 L CA -0.179 54.564 54.840 -0.162 0.000 0.810 148 L CB 0.927 42.827 42.059 -0.264 0.000 1.193 148 L HN 0.327 nan 8.230 nan 0.000 0.425 149 L N 6.384 127.660 121.223 0.089 0.000 2.473 149 L HA 0.121 4.465 4.340 0.007 0.000 0.268 149 L C -0.947 176.033 176.870 0.183 0.000 1.215 149 L CA -1.248 53.676 54.840 0.140 0.000 0.823 149 L CB 0.021 42.187 42.059 0.178 0.000 1.099 149 L HN 0.515 nan 8.230 nan 0.000 0.483 150 P HA -0.194 nan 4.420 nan 0.000 0.217 150 P C 0.822 178.299 177.300 0.296 0.000 1.151 150 P CA 1.417 64.634 63.100 0.195 0.000 0.849 150 P CB -0.032 31.750 31.700 0.137 0.000 0.787 151 N N -1.958 116.900 118.700 0.264 0.000 2.457 151 N HA -0.161 4.583 4.740 0.007 0.000 0.180 151 N C 1.614 177.300 175.510 0.293 0.000 1.050 151 N CA 0.591 53.808 53.050 0.279 0.000 0.906 151 N CB -1.503 37.087 38.487 0.173 0.000 0.968 151 N HN 0.267 nan 8.380 nan 0.000 0.445 152 W N 1.308 122.696 121.300 0.146 0.000 2.318 152 W HA 0.005 4.670 4.660 0.009 0.000 0.313 152 W C 1.527 178.166 176.519 0.199 0.000 1.221 152 W CA 1.448 58.869 57.345 0.126 0.000 1.266 152 W CB -0.157 29.316 29.460 0.022 0.000 1.150 152 W HN 0.045 nan 8.180 nan 0.000 0.496 153 L N -0.370 121.076 121.223 0.372 0.000 2.610 153 L HA -0.113 4.232 4.340 0.007 0.000 0.232 153 L C 1.791 178.716 176.870 0.091 0.000 1.149 153 L CA 0.429 55.377 54.840 0.180 0.000 0.872 153 L CB -0.654 41.394 42.059 -0.018 0.000 0.992 153 L HN 0.145 nan 8.230 nan 0.000 0.447 154 H N -0.425 118.838 119.070 0.322 0.000 2.729 154 H HA 0.309 4.869 4.556 0.007 0.000 0.263 154 H C -0.027 175.344 175.328 0.073 0.000 0.961 154 H CA 0.302 56.498 56.048 0.246 0.000 1.217 154 H CB 0.930 30.779 29.762 0.146 0.000 1.447 154 H HN 0.160 nan 8.280 nan 0.000 0.496 155 L N -1.970 119.164 121.223 -0.149 0.000 2.518 155 L HA 0.508 4.852 4.340 0.007 0.000 0.257 155 L C -3.027 173.066 176.870 -1.296 0.000 0.980 155 L CA -2.348 52.004 54.840 -0.813 0.000 0.837 155 L CB 2.063 43.815 42.059 -0.512 0.000 1.410 155 L HN -0.323 nan 8.230 nan 0.000 0.410 156 P HA 0.136 nan 4.420 nan 0.000 0.273 156 P C -0.175 176.864 177.300 -0.434 0.000 1.428 156 P CA -0.015 62.232 63.100 -1.422 0.000 0.995 156 P CB 0.838 31.805 31.700 -1.221 0.000 1.286 157 V N 3.720 123.449 119.914 -0.307 0.000 2.763 157 V HA 0.416 4.540 4.120 0.007 0.000 0.306 157 V C 1.322 177.523 176.094 0.178 0.000 1.059 157 V CA 1.219 63.527 62.300 0.013 0.000 1.138 157 V CB 0.415 32.327 31.823 0.148 0.000 0.940 157 V HN 0.843 nan 8.190 nan 0.000 0.489 158 G N 3.283 112.079 108.800 -0.006 0.000 2.559 158 G HA2 0.679 4.644 3.960 0.007 0.000 0.291 158 G HA3 0.679 4.644 3.960 0.007 0.000 0.291 158 G C -1.709 173.033 174.900 -0.263 0.000 1.424 158 G CA -0.463 44.458 45.100 -0.299 0.000 0.786 158 G HN 0.960 nan 8.290 nan 0.000 0.485 159 Y N -1.329 118.665 120.300 -0.510 0.000 2.597 159 Y HA 0.712 5.268 4.550 0.009 0.000 0.340 159 Y C -0.622 174.978 175.900 -0.500 0.000 1.097 159 Y CA -1.582 56.240 58.100 -0.463 0.000 1.037 159 Y CB 1.085 39.397 38.460 -0.247 0.000 1.305 159 Y HN 0.589 nan 8.280 nan 0.000 0.463 160 H N 1.479 120.406 119.070 -0.239 0.000 2.722 160 H HA 0.420 4.980 4.556 0.007 0.000 0.328 160 H C 0.267 175.414 175.328 -0.302 0.000 1.067 160 H CA 0.363 56.233 56.048 -0.297 0.000 1.447 160 H CB 1.339 31.045 29.762 -0.092 0.000 1.469 160 H HN 1.034 nan 8.280 nan 0.000 0.544 161 G N 1.482 110.002 108.800 -0.467 0.000 2.613 161 G HA2 0.368 4.332 3.960 0.007 0.000 0.303 161 G HA3 0.368 4.332 3.960 0.007 0.000 0.303 161 G C -0.329 174.605 174.900 0.056 0.000 1.312 161 G CA -0.779 44.110 45.100 -0.352 0.000 1.036 161 G HN 0.439 nan 8.290 nan 0.000 0.513 162 R N -0.426 120.220 120.500 0.243 0.000 2.207 162 R HA 0.556 4.900 4.340 0.007 0.000 0.334 162 R C 0.979 177.430 176.300 0.251 0.000 1.013 162 R CA 0.377 56.598 56.100 0.202 0.000 0.858 162 R CB 0.951 31.324 30.300 0.121 0.000 1.094 162 R HN 0.429 nan 8.270 nan 0.000 0.457 163 A N 2.817 125.746 122.820 0.180 0.000 1.897 163 A HA -0.104 4.220 4.320 0.007 0.000 0.215 163 A C 1.859 179.477 177.584 0.057 0.000 1.181 163 A CA 1.459 53.573 52.037 0.128 0.000 0.620 163 A CB -0.679 18.384 19.000 0.105 0.000 0.821 163 A HN 0.870 nan 8.150 nan 0.000 0.443 164 S N 0.816 116.546 115.700 0.050 0.000 2.400 164 S HA -0.155 4.320 4.470 0.007 0.000 0.232 164 S C 1.720 176.328 174.600 0.014 0.000 1.025 164 S CA 1.735 59.951 58.200 0.027 0.000 0.993 164 S CB -0.848 62.367 63.200 0.026 0.000 0.808 164 S HN 0.864 nan 8.310 nan 0.000 0.478 165 S N 0.599 116.306 115.700 0.012 0.000 2.634 165 S HA 0.392 4.867 4.470 0.007 0.000 0.221 165 S C 0.321 174.902 174.600 -0.030 0.000 0.952 165 S CA -0.623 57.573 58.200 -0.007 0.000 0.930 165 S CB -0.771 62.423 63.200 -0.009 0.000 0.780 165 S HN 0.531 nan 8.310 nan 0.000 0.498 166 I N 3.200 123.742 120.570 -0.046 0.000 2.396 166 I HA 0.271 4.446 4.170 0.007 0.000 0.289 166 I C 0.009 176.107 176.117 -0.033 0.000 1.056 166 I CA -0.667 60.581 61.300 -0.086 0.000 1.365 166 I CB 1.095 39.001 38.000 -0.156 0.000 1.407 166 I HN 0.157 nan 8.210 nan 0.000 0.509 167 V N 5.094 125.002 119.914 -0.011 0.000 2.864 167 V HA 0.556 4.680 4.120 0.007 0.000 0.314 167 V C -0.196 175.911 176.094 0.022 0.000 1.073 167 V CA -0.867 61.437 62.300 0.006 0.000 0.956 167 V CB 1.880 33.706 31.823 0.004 0.000 1.023 167 V HN 0.415 nan 8.190 nan 0.000 0.435 168 V N 2.427 122.348 119.914 0.012 0.000 2.881 168 V HA 0.368 4.492 4.120 0.007 0.000 0.303 168 V C 1.097 177.208 176.094 0.029 0.000 1.070 168 V CA 0.668 62.975 62.300 0.012 0.000 1.074 168 V CB 1.743 33.550 31.823 -0.026 0.000 1.012 168 V HN 1.380 nan 8.190 nan 0.000 0.482 169 S N 3.766 119.492 115.700 0.044 0.000 2.573 169 S HA 0.304 4.778 4.470 0.007 0.000 0.297 169 S C 1.239 175.871 174.600 0.054 0.000 1.280 169 S CA 1.044 59.287 58.200 0.072 0.000 1.061 169 S CB -0.122 63.127 63.200 0.081 0.000 0.812 169 S HN 2.301 nan 8.310 nan 0.000 0.500 170 G N 3.111 111.956 108.800 0.075 0.000 2.234 170 G HA2 -0.223 3.742 3.960 0.007 0.000 0.235 170 G HA3 -0.223 3.742 3.960 0.007 0.000 0.235 170 G C 0.226 175.142 174.900 0.028 0.000 0.997 170 G CA 0.177 45.307 45.100 0.051 0.000 0.623 170 G HN 0.953 nan 8.290 nan 0.000 0.514 171 T N 3.910 118.478 114.554 0.022 0.000 2.834 171 T HA 0.480 4.835 4.350 0.007 0.000 0.298 171 T C -2.016 172.660 174.700 -0.040 0.000 0.966 171 T CA -0.233 61.861 62.100 -0.010 0.000 1.141 171 T CB 1.568 70.428 68.868 -0.013 0.000 0.905 171 T HN 0.171 nan 8.240 nan 0.000 0.535 172 P HA 0.269 nan 4.420 nan 0.000 0.271 172 P C -0.681 176.521 177.300 -0.164 0.000 1.218 172 P CA -0.495 62.546 63.100 -0.098 0.000 0.780 172 P CB 0.450 32.112 31.700 -0.064 0.000 0.901 173 I N 2.558 122.962 120.570 -0.276 0.000 2.389 173 I HA 0.344 4.519 4.170 0.007 0.000 0.288 173 I C 0.655 176.650 176.117 -0.203 0.000 0.999 173 I CA -0.706 60.393 61.300 -0.335 0.000 1.129 173 I CB 1.142 38.657 38.000 -0.808 0.000 1.288 173 I HN 0.326 nan 8.210 nan 0.000 0.444 174 R N 5.236 125.675 120.500 -0.102 0.000 2.340 174 R HA 0.246 4.591 4.340 0.007 0.000 0.300 174 R C 0.379 176.611 176.300 -0.114 0.000 1.069 174 R CA -0.628 55.420 56.100 -0.087 0.000 0.984 174 R CB 0.833 31.098 30.300 -0.059 0.000 1.003 174 R HN 0.581 nan 8.270 nan 0.000 0.459 175 R N 6.175 126.593 120.500 -0.138 0.000 2.480 175 R HA 0.037 4.381 4.340 0.007 0.000 0.303 175 R C -2.005 174.136 176.300 -0.265 0.000 0.985 175 R CA -0.860 55.118 56.100 -0.204 0.000 1.051 175 R CB 0.415 30.629 30.300 -0.142 0.000 0.935 175 R HN 0.446 nan 8.270 nan 0.000 0.410 176 P HA 0.073 nan 4.420 nan 0.000 0.278 176 P C -0.624 176.499 177.300 -0.294 0.000 1.238 176 P CA -0.177 62.680 63.100 -0.405 0.000 0.794 176 P CB 1.035 32.301 31.700 -0.725 0.000 0.955 177 M N 1.041 120.516 119.600 -0.209 0.000 2.444 177 M HA 0.682 5.166 4.480 0.007 0.000 0.319 177 M C 0.825 177.022 176.300 -0.172 0.000 1.183 177 M CA -0.055 55.097 55.300 -0.246 0.000 1.032 177 M CB 1.299 33.785 32.600 -0.190 0.000 1.569 177 M HN 0.752 nan 8.290 nan 0.000 0.468 178 G N 0.934 109.592 108.800 -0.236 0.000 2.325 178 G HA2 0.219 4.184 3.960 0.007 0.000 0.295 178 G HA3 0.219 4.184 3.960 0.007 0.000 0.295 178 G C -1.891 173.025 174.900 0.026 0.000 1.274 178 G CA -0.776 44.321 45.100 -0.006 0.000 0.857 178 G HN 0.544 nan 8.290 nan 0.000 0.499 179 Q N -0.314 119.583 119.800 0.162 0.000 2.235 179 Q HA 0.729 5.074 4.340 0.007 0.000 0.250 179 Q C -0.477 175.601 176.000 0.131 0.000 0.909 179 Q CA -0.021 55.900 55.803 0.197 0.000 0.910 179 Q CB 1.653 30.613 28.738 0.370 0.000 1.223 179 Q HN 0.501 nan 8.270 nan 0.000 0.432 180 M N 1.190 120.760 119.600 -0.050 0.000 2.569 180 M HA 0.446 4.931 4.480 0.007 0.000 0.279 180 M C -0.830 175.214 176.300 -0.426 0.000 1.253 180 M CA -0.555 54.650 55.300 -0.158 0.000 0.867 180 M CB 2.861 35.383 32.600 -0.131 0.000 1.727 180 M HN 0.322 nan 8.290 nan 0.000 0.467 181 R N 2.018 122.226 120.500 -0.486 0.000 2.547 181 R HA 0.367 4.712 4.340 0.007 0.000 0.280 181 R C -1.997 174.118 176.300 -0.309 0.000 1.630 181 R CA -1.283 54.465 56.100 -0.588 0.000 1.470 181 R CB 0.902 30.568 30.300 -1.057 0.000 1.178 181 R HN 0.442 nan 8.270 nan 0.000 0.591 182 P HA -0.066 nan 4.420 nan 0.000 0.221 182 P C -0.239 176.988 177.300 -0.122 0.000 1.150 182 P CA 0.879 63.892 63.100 -0.145 0.000 0.800 182 P CB 0.358 31.985 31.700 -0.122 0.000 0.787 183 D N -0.090 120.225 120.400 -0.142 0.000 2.471 183 D HA 0.100 4.745 4.640 0.007 0.000 0.245 183 D C 0.587 176.811 176.300 -0.128 0.000 1.116 183 D CA -0.536 53.399 54.000 -0.108 0.000 0.853 183 D CB 0.493 41.239 40.800 -0.089 0.000 1.123 183 D HN -0.296 nan 8.370 nan 0.000 0.540 184 N N 1.030 119.673 118.700 -0.095 0.000 2.519 184 N HA -0.122 4.622 4.740 0.007 0.000 0.186 184 N C 1.250 176.725 175.510 -0.058 0.000 1.062 184 N CA 0.569 53.571 53.050 -0.079 0.000 0.910 184 N CB 0.187 38.655 38.487 -0.032 0.000 0.958 184 N HN 0.412 nan 8.380 nan 0.000 0.445 185 S N -1.589 114.078 115.700 -0.054 0.000 2.557 185 S HA 0.236 4.711 4.470 0.007 0.000 0.223 185 S C 0.455 175.027 174.600 -0.046 0.000 0.969 185 S CA -0.218 57.960 58.200 -0.037 0.000 0.927 185 S CB 0.688 63.873 63.200 -0.025 0.000 0.806 185 S HN -0.146 nan 8.310 nan 0.000 0.489 186 K N 1.606 121.960 120.400 -0.076 0.000 2.400 186 K HA 0.616 4.940 4.320 0.007 0.000 0.246 186 K C -3.203 173.328 176.600 -0.116 0.000 0.995 186 K CA -2.317 53.922 56.287 -0.079 0.000 0.840 186 K CB 0.943 33.395 32.500 -0.080 0.000 1.293 186 K HN -0.022 nan 8.250 nan 0.000 0.445 187 P HA 0.164 nan 4.420 nan 0.000 0.272 187 P C -2.314 174.873 177.300 -0.188 0.000 1.240 187 P CA -0.876 62.164 63.100 -0.100 0.000 0.791 187 P CB -0.202 31.474 31.700 -0.040 0.000 0.978 188 P HA 0.050 nan 4.420 nan 0.000 0.272 188 P C -0.834 176.375 177.300 -0.151 0.000 1.240 188 P CA 0.077 62.958 63.100 -0.365 0.000 0.791 188 P CB 0.461 31.927 31.700 -0.390 0.000 0.978 189 V N -1.062 118.767 119.914 -0.141 0.000 2.960 189 V HA 0.548 4.673 4.120 0.007 0.000 0.315 189 V C -1.004 175.112 176.094 0.036 0.000 1.087 189 V CA -1.147 61.130 62.300 -0.038 0.000 0.982 189 V CB 1.723 33.507 31.823 -0.065 0.000 1.039 189 V HN 0.533 nan 8.190 nan 0.000 0.437 190 Y N 1.615 121.891 120.300 -0.041 0.000 2.360 190 Y HA 0.886 5.440 4.550 0.007 0.000 0.337 190 Y C 0.234 176.113 175.900 -0.035 0.000 1.039 190 Y CA 0.543 58.630 58.100 -0.023 0.000 1.109 190 Y CB 1.408 39.864 38.460 -0.007 0.000 1.201 190 Y HN 1.354 nan 8.280 nan 0.000 0.458 191 G N 2.344 110.712 108.800 -0.720 0.000 2.340 191 G HA2 0.494 4.458 3.960 0.007 0.000 0.299 191 G HA3 0.494 4.458 3.960 0.007 0.000 0.299 191 G C -1.884 172.728 174.900 -0.480 0.000 1.291 191 G CA -0.512 44.260 45.100 -0.547 0.000 0.841 191 G HN 0.913 nan 8.290 nan 0.000 0.500 192 A N -0.803 121.833 122.820 -0.306 0.000 2.354 192 A HA 0.537 4.862 4.320 0.007 0.000 0.269 192 A C 0.951 178.411 177.584 -0.208 0.000 1.109 192 A CA 0.402 52.293 52.037 -0.243 0.000 0.800 192 A CB 0.168 19.064 19.000 -0.175 0.000 1.045 192 A HN 2.220 nan 8.150 nan 0.000 0.489 193 C N 2.806 121.976 119.300 -0.216 0.000 2.538 193 C HA 0.187 4.651 4.460 0.007 0.000 0.408 193 C C 1.470 176.366 174.990 -0.158 0.000 1.421 193 C CA 0.077 58.976 59.018 -0.197 0.000 1.642 193 C CB -0.848 26.743 27.740 -0.248 0.000 2.553 193 C HN 0.952 nan 8.230 nan 0.000 0.604 194 R N 2.906 123.312 120.500 -0.157 0.000 2.279 194 R HA 0.257 4.602 4.340 0.007 0.000 0.195 194 R C -0.079 176.106 176.300 -0.191 0.000 0.905 194 R CA 0.327 56.344 56.100 -0.139 0.000 1.044 194 R CB 0.101 30.325 30.300 -0.127 0.000 1.056 194 R HN 0.675 nan 8.270 nan 0.000 0.535 195 L N 2.521 123.568 121.223 -0.294 0.000 2.506 195 L HA 0.338 4.683 4.340 0.007 0.000 0.247 195 L C -1.006 175.704 176.870 -0.267 0.000 1.141 195 L CA -0.696 53.785 54.840 -0.598 0.000 0.973 195 L CB 0.950 42.478 42.059 -0.886 0.000 1.319 195 L HN -0.029 nan 8.230 nan 0.000 0.455 196 L N 1.477 122.700 121.223 -0.000 0.000 2.305 196 L HA 0.561 4.906 4.340 0.007 0.000 0.281 196 L C -0.439 176.667 176.870 0.394 0.000 1.085 196 L CA 0.660 55.607 54.840 0.179 0.000 0.813 196 L CB 1.101 43.249 42.059 0.147 0.000 1.157 196 L HN 0.283 nan 8.230 nan 0.000 0.436 197 D N 2.927 123.582 120.400 0.426 0.000 2.559 197 D HA 0.630 5.275 4.640 0.007 0.000 0.250 197 D C -0.943 175.546 176.300 0.316 0.000 1.135 197 D CA -0.428 53.817 54.000 0.409 0.000 0.955 197 D CB 1.730 42.791 40.800 0.435 0.000 1.442 197 D HN 0.477 nan 8.370 nan 0.000 0.471 198 M N -0.630 119.048 119.600 0.130 0.000 2.777 198 M HA 0.703 5.188 4.480 0.007 0.000 0.307 198 M C -0.957 175.291 176.300 -0.088 0.000 1.228 198 M CA -0.279 54.941 55.300 -0.134 0.000 0.871 198 M CB 2.011 34.433 32.600 -0.297 0.000 1.721 198 M HN 0.044 nan 8.290 nan 0.000 0.487 199 E N 1.276 121.366 120.200 -0.183 0.000 2.302 199 E HA 0.381 4.736 4.350 0.007 0.000 0.263 199 E C -1.862 174.657 176.600 -0.134 0.000 0.897 199 E CA -0.784 55.555 56.400 -0.101 0.000 0.809 199 E CB 2.369 32.039 29.700 -0.050 0.000 1.270 199 E HN 0.750 nan 8.360 nan 0.000 0.410 200 L N 3.387 124.557 121.223 -0.088 0.000 2.418 200 L HA 0.219 4.563 4.340 0.007 0.000 0.274 200 L C -0.491 176.359 176.870 -0.033 0.000 1.135 200 L CA 1.040 55.838 54.840 -0.070 0.000 0.870 200 L CB -0.003 42.044 42.059 -0.020 0.000 1.154 200 L HN 0.518 nan 8.230 nan 0.000 0.462 201 E N 4.841 125.013 120.200 -0.046 0.000 2.458 201 E HA 0.558 4.913 4.350 0.007 0.000 0.278 201 E C -1.291 175.277 176.600 -0.054 0.000 1.004 201 E CA -0.962 55.443 56.400 0.010 0.000 0.823 201 E CB 2.111 31.828 29.700 0.029 0.000 1.396 201 E HN 0.539 nan 8.360 nan 0.000 0.463 202 M N 0.562 120.143 119.600 -0.032 0.000 2.619 202 M HA 0.752 5.237 4.480 0.007 0.000 0.297 202 M C -1.331 174.943 176.300 -0.044 0.000 1.229 202 M CA -0.718 54.471 55.300 -0.186 0.000 0.860 202 M CB 2.432 34.695 32.600 -0.560 0.000 1.741 202 M HN 0.675 nan 8.290 nan 0.000 0.462 203 A N 1.556 124.337 122.820 -0.065 0.000 2.587 203 A HA 0.932 5.256 4.320 0.007 0.000 0.293 203 A C -1.741 175.860 177.584 0.027 0.000 1.087 203 A CA -0.608 51.411 52.037 -0.030 0.000 0.692 203 A CB 1.444 20.346 19.000 -0.164 0.000 1.291 203 A HN 0.793 nan 8.150 nan 0.000 0.407 204 F N -1.109 118.804 119.950 -0.063 0.000 2.577 204 F HA 0.892 5.422 4.527 0.004 0.000 0.318 204 F C -1.302 174.442 175.800 -0.094 0.000 1.065 204 F CA -1.524 56.472 58.000 -0.006 0.000 0.929 204 F CB 1.062 40.136 39.000 0.122 0.000 1.237 204 F HN 0.362 nan 8.300 nan 0.000 0.468 205 F N 1.767 121.916 119.950 0.332 0.000 2.399 205 F HA 0.590 5.120 4.527 0.005 0.000 0.334 205 F C 0.063 176.047 175.800 0.306 0.000 1.097 205 F CA -1.030 57.087 58.000 0.196 0.000 1.076 205 F CB 1.810 40.890 39.000 0.134 0.000 1.162 205 F HN 0.310 nan 8.300 nan 0.000 0.495 206 V N 3.135 123.279 119.914 0.384 0.000 2.649 206 V HA 0.376 4.501 4.120 0.007 0.000 0.292 206 V C 0.725 177.004 176.094 0.308 0.000 1.055 206 V CA 0.059 62.576 62.300 0.362 0.000 1.023 206 V CB 1.031 32.990 31.823 0.227 0.000 0.992 206 V HN 0.971 nan 8.190 nan 0.000 0.480 207 G N 4.420 113.469 108.800 0.414 0.000 3.348 207 G HA2 0.186 4.151 3.960 0.007 0.000 0.180 207 G HA3 0.186 4.151 3.960 0.007 0.000 0.180 207 G C -1.423 173.665 174.900 0.313 0.000 1.915 207 G CA 0.091 45.476 45.100 0.474 0.000 0.937 207 G HN 0.600 nan 8.290 nan 0.000 0.564 208 P HA 0.064 nan 4.420 nan 0.000 0.215 208 P C 1.075 178.506 177.300 0.218 0.000 1.157 208 P CA 2.091 65.283 63.100 0.153 0.000 0.874 208 P CB -0.181 31.528 31.700 0.015 0.000 0.790 209 G N -0.459 108.584 108.800 0.406 0.000 2.760 209 G HA2 -0.103 3.861 3.960 0.007 0.000 0.246 209 G HA3 -0.103 3.861 3.960 0.007 0.000 0.246 209 G C -0.914 174.024 174.900 0.063 0.000 1.359 209 G CA -0.267 44.925 45.100 0.154 0.000 0.861 209 G HN 0.482 nan 8.290 nan 0.000 0.541 210 N N -0.592 118.097 118.700 -0.019 0.000 2.381 210 N HA 0.599 5.343 4.740 0.007 0.000 0.294 210 N C -0.099 175.429 175.510 0.029 0.000 1.216 210 N CA -0.921 52.120 53.050 -0.015 0.000 0.803 210 N CB 1.392 39.832 38.487 -0.079 0.000 1.372 210 N HN 0.857 nan 8.380 nan 0.000 0.500 211 R N -0.267 120.256 120.500 0.038 0.000 2.641 211 R HA 0.171 4.515 4.340 0.007 0.000 0.269 211 R C -0.088 176.275 176.300 0.105 0.000 1.074 211 R CA -0.556 55.588 56.100 0.074 0.000 1.133 211 R CB 0.416 30.753 30.300 0.062 0.000 1.029 211 R HN 0.533 nan 8.270 nan 0.000 0.488 212 F N 1.426 121.369 119.950 -0.012 0.000 2.602 212 F HA 0.077 4.602 4.527 -0.005 0.000 0.385 212 F C 1.276 177.069 175.800 -0.011 0.000 1.063 212 F CA 1.715 59.708 58.000 -0.012 0.000 1.233 212 F CB 0.219 39.212 39.000 -0.011 0.000 1.067 212 F HN 0.836 nan 8.300 nan 0.000 0.564 213 G N 3.972 112.468 108.800 -0.506 0.000 2.195 213 G HA2 -0.257 3.708 3.960 0.007 0.000 0.246 213 G HA3 -0.257 3.708 3.960 0.007 0.000 0.246 213 G C -0.062 174.721 174.900 -0.195 0.000 0.984 213 G CA 0.127 44.967 45.100 -0.434 0.000 0.633 213 G HN 0.648 nan 8.290 nan 0.000 0.525 214 E N 2.054 122.184 120.200 -0.116 0.000 2.141 214 E HA 0.370 4.724 4.350 0.007 0.000 0.259 214 E C -2.427 174.138 176.600 -0.059 0.000 0.883 214 E CA -1.969 54.391 56.400 -0.067 0.000 0.744 214 E CB 2.222 31.903 29.700 -0.031 0.000 1.150 214 E HN 0.263 nan 8.360 nan 0.000 0.420 215 P HA 0.070 nan 4.420 nan 0.000 0.270 215 P C -0.244 177.039 177.300 -0.029 0.000 1.223 215 P CA 0.011 63.088 63.100 -0.039 0.000 0.785 215 P CB 1.093 32.774 31.700 -0.032 0.000 0.923 216 I N 3.549 124.100 120.570 -0.031 0.000 2.297 216 I HA 0.205 4.379 4.170 0.007 0.000 0.291 216 I C -1.697 174.434 176.117 0.022 0.000 1.033 216 I CA -2.501 58.771 61.300 -0.047 0.000 1.253 216 I CB 1.231 39.139 38.000 -0.153 0.000 1.396 216 I HN 0.170 nan 8.210 nan 0.000 0.476 217 P HA 0.045 nan 4.420 nan 0.000 0.269 217 P C 0.933 178.279 177.300 0.077 0.000 1.209 217 P CA -0.092 63.052 63.100 0.074 0.000 0.776 217 P CB 1.592 33.332 31.700 0.067 0.000 0.876 218 I N 2.540 123.165 120.570 0.092 0.000 2.335 218 I HA -0.303 3.872 4.170 0.007 0.000 0.251 218 I C 2.129 178.288 176.117 0.070 0.000 1.129 218 I CA 2.130 63.470 61.300 0.067 0.000 1.402 218 I CB -0.159 37.889 38.000 0.079 0.000 1.069 218 I HN 0.399 nan 8.210 nan 0.000 0.424 219 S N -0.403 115.354 115.700 0.095 0.000 2.474 219 S HA -0.130 4.344 4.470 0.007 0.000 0.235 219 S C 1.771 176.490 174.600 0.198 0.000 0.997 219 S CA 0.791 59.067 58.200 0.126 0.000 0.949 219 S CB -0.343 62.919 63.200 0.103 0.000 0.766 219 S HN 0.522 nan 8.310 nan 0.000 0.517 220 K N 0.307 120.776 120.400 0.116 0.000 2.358 220 K HA 0.445 4.769 4.320 0.007 0.000 0.200 220 K C 2.077 178.665 176.600 -0.021 0.000 1.030 220 K CA 0.426 56.728 56.287 0.025 0.000 1.097 220 K CB 0.112 32.653 32.500 0.068 0.000 0.862 220 K HN 0.368 nan 8.250 nan 0.000 0.534 221 A N 2.339 125.184 122.820 0.041 0.000 1.917 221 A HA -0.235 4.089 4.320 0.007 0.000 0.219 221 A C 1.983 179.548 177.584 -0.031 0.000 1.182 221 A CA 1.798 53.854 52.037 0.031 0.000 0.633 221 A CB -0.918 18.054 19.000 -0.046 0.000 0.819 221 A HN 0.508 nan 8.150 nan 0.000 0.448 222 H N -0.639 118.378 119.070 -0.089 0.000 2.489 222 H HA -0.040 4.523 4.556 0.012 0.000 0.295 222 H C 1.225 176.601 175.328 0.080 0.000 1.082 222 H CA 1.431 57.434 56.048 -0.075 0.000 1.295 222 H CB -0.477 29.245 29.762 -0.066 0.000 1.380 222 H HN 0.654 nan 8.280 nan 0.000 0.548 223 E N 0.191 120.039 120.200 -0.587 0.000 2.427 223 E HA -0.060 4.295 4.350 0.007 0.000 0.196 223 E C 0.672 177.095 176.600 -0.295 0.000 1.028 223 E CA 0.316 56.447 56.400 -0.449 0.000 0.864 223 E CB 0.069 29.406 29.700 -0.604 0.000 0.813 223 E HN 0.738 nan 8.360 nan 0.000 0.514 224 H N -0.739 118.375 119.070 0.072 0.000 2.594 224 H HA 0.262 4.817 4.556 -0.001 0.000 0.279 224 H C -0.104 175.440 175.328 0.360 0.000 1.042 224 H CA -0.073 56.113 56.048 0.229 0.000 1.177 224 H CB 0.556 30.401 29.762 0.139 0.000 1.524 224 H HN -0.037 nan 8.280 nan 0.000 0.537 225 I N 1.155 121.964 120.570 0.398 0.000 2.307 225 I HA 0.014 4.188 4.170 0.007 0.000 0.289 225 I C 0.326 176.592 176.117 0.248 0.000 1.021 225 I CA -0.402 61.093 61.300 0.324 0.000 1.224 225 I CB 0.810 38.870 38.000 0.101 0.000 1.376 225 I HN 0.171 nan 8.210 nan 0.000 0.470 226 F N 6.008 125.942 119.950 -0.027 0.000 2.094 226 F HA 0.306 4.838 4.527 0.008 0.000 0.291 226 F C 1.237 176.894 175.800 -0.239 0.000 1.109 226 F CA 1.294 58.966 58.000 -0.547 0.000 1.221 226 F CB 0.221 38.883 39.000 -0.562 0.000 1.014 226 F HN 0.412 nan 8.300 nan 0.000 0.473 227 G N -0.664 108.201 108.800 0.109 0.000 2.488 227 G HA2 0.462 4.426 3.960 0.007 0.000 0.301 227 G HA3 0.462 4.426 3.960 0.007 0.000 0.301 227 G C -1.677 173.416 174.900 0.322 0.000 1.339 227 G CA -0.884 44.259 45.100 0.073 0.000 0.803 227 G HN 0.070 nan 8.290 nan 0.000 0.482 228 M N -0.195 119.576 119.600 0.285 0.000 2.690 228 M HA 0.753 5.237 4.480 0.007 0.000 0.302 228 M C -0.271 176.274 176.300 0.409 0.000 1.234 228 M CA -1.125 54.359 55.300 0.306 0.000 0.853 228 M CB 2.526 35.224 32.600 0.164 0.000 1.748 228 M HN 0.854 nan 8.290 nan 0.000 0.469 229 V N -0.825 119.244 119.914 0.258 0.000 3.159 229 V HA 0.650 4.775 4.120 0.007 0.000 0.308 229 V C -1.089 175.007 176.094 0.003 0.000 1.190 229 V CA -1.130 61.327 62.300 0.262 0.000 1.037 229 V CB 1.829 33.807 31.823 0.259 0.000 1.060 229 V HN 0.830 nan 8.190 nan 0.000 0.437 230 L N 2.445 123.662 121.223 -0.009 0.000 2.418 230 L HA 0.685 5.029 4.340 0.007 0.000 0.265 230 L C -0.008 176.813 176.870 -0.082 0.000 1.143 230 L CA -0.196 54.561 54.840 -0.138 0.000 0.809 230 L CB 1.417 43.410 42.059 -0.109 0.000 1.124 230 L HN 0.850 nan 8.230 nan 0.000 0.456 231 M N 2.822 122.353 119.600 -0.115 0.000 2.421 231 M HA 0.381 4.866 4.480 0.007 0.000 0.287 231 M C -1.876 174.328 176.300 -0.160 0.000 1.183 231 M CA -0.583 54.647 55.300 -0.116 0.000 0.916 231 M CB 2.290 34.821 32.600 -0.116 0.000 1.701 231 M HN 0.495 nan 8.290 nan 0.000 0.470 232 N N 2.818 121.383 118.700 -0.226 0.000 2.524 232 N HA 0.234 4.979 4.740 0.007 0.000 0.261 232 N C -1.909 173.319 175.510 -0.470 0.000 0.998 232 N CA -0.196 52.592 53.050 -0.437 0.000 0.915 232 N CB 1.347 39.405 38.487 -0.715 0.000 1.187 232 N HN 0.687 nan 8.380 nan 0.000 0.507 233 D N 3.770 123.994 120.400 -0.294 0.000 2.483 233 D HA 0.120 4.764 4.640 0.007 0.000 0.220 233 D C -0.327 175.892 176.300 -0.134 0.000 1.173 233 D CA -0.319 53.600 54.000 -0.135 0.000 0.964 233 D CB -0.164 40.648 40.800 0.019 0.000 1.046 233 D HN 0.341 nan 8.370 nan 0.000 0.517 234 W N 2.534 123.777 121.300 -0.095 0.000 2.314 234 W HA 0.138 4.802 4.660 0.007 0.000 0.339 234 W C 0.578 177.074 176.519 -0.038 0.000 1.293 234 W CA -0.203 57.104 57.345 -0.063 0.000 1.288 234 W CB 0.448 29.806 29.460 -0.169 0.000 1.186 234 W HN 0.126 nan 8.180 nan 0.000 0.566 235 S N 1.615 117.587 115.700 0.452 0.000 2.547 235 S HA 0.717 5.191 4.470 0.007 0.000 0.281 235 S C -0.684 174.198 174.600 0.471 0.000 1.118 235 S CA -0.997 57.458 58.200 0.424 0.000 0.947 235 S CB 1.839 65.185 63.200 0.244 0.000 1.053 235 S HN 0.550 nan 8.310 nan 0.000 0.482 236 A N 3.001 126.064 122.820 0.406 0.000 2.540 236 A HA 0.408 4.733 4.320 0.007 0.000 0.340 236 A C 1.291 178.908 177.584 0.055 0.000 1.424 236 A CA -0.640 51.473 52.037 0.126 0.000 0.940 236 A CB 0.079 19.051 19.000 -0.046 0.000 1.149 236 A HN 0.714 nan 8.150 nan 0.000 0.505 237 R N 1.686 122.192 120.500 0.011 0.000 2.096 237 R HA -0.189 4.156 4.340 0.007 0.000 0.240 237 R C 1.177 177.426 176.300 -0.085 0.000 1.139 237 R CA 2.054 58.133 56.100 -0.034 0.000 0.952 237 R CB -0.475 29.789 30.300 -0.060 0.000 0.854 237 R HN 0.864 nan 8.270 nan 0.000 0.436 238 D N 0.444 120.771 120.400 -0.122 0.000 2.144 238 D HA -0.123 4.521 4.640 0.007 0.000 0.200 238 D C 2.057 178.345 176.300 -0.019 0.000 0.978 238 D CA 0.884 54.825 54.000 -0.098 0.000 0.833 238 D CB -0.587 40.130 40.800 -0.138 0.000 0.961 238 D HN 0.264 nan 8.370 nan 0.000 0.470 239 I N 0.214 120.779 120.570 -0.009 0.000 2.252 239 I HA -0.232 3.942 4.170 0.007 0.000 0.245 239 I C 2.831 179.009 176.117 0.102 0.000 1.102 239 I CA 0.988 62.326 61.300 0.063 0.000 1.385 239 I CB -0.339 37.679 38.000 0.029 0.000 1.064 239 I HN 0.046 nan 8.210 nan 0.000 0.414 240 Q N 0.898 120.721 119.800 0.038 0.000 2.050 240 Q HA -0.308 4.037 4.340 0.007 0.000 0.202 240 Q C 2.272 178.260 176.000 -0.020 0.000 0.980 240 Q CA 1.875 57.671 55.803 -0.011 0.000 0.840 240 Q CB -0.117 28.547 28.738 -0.122 0.000 0.898 240 Q HN 0.468 nan 8.270 nan 0.000 0.424 241 Q N -0.415 119.345 119.800 -0.067 0.000 2.152 241 Q HA -0.213 4.132 4.340 0.007 0.000 0.206 241 Q C 1.692 177.833 176.000 0.236 0.000 0.985 241 Q CA 1.823 57.611 55.803 -0.025 0.000 0.863 241 Q CB -0.350 28.312 28.738 -0.127 0.000 0.904 241 Q HN 0.676 nan 8.270 nan 0.000 0.422 242 W N 1.062 122.369 121.300 0.012 0.000 2.523 242 W HA -0.100 4.565 4.660 0.008 0.000 0.278 242 W C 1.519 178.075 176.519 0.063 0.000 1.236 242 W CA 1.288 58.649 57.345 0.025 0.000 1.306 242 W CB 0.210 29.672 29.460 0.003 0.000 1.101 242 W HN 0.323 nan 8.180 nan 0.000 0.577 243 E N -0.044 120.175 120.200 0.032 0.000 2.216 243 E HA -0.237 4.118 4.350 0.007 0.000 0.192 243 E C 1.993 178.582 176.600 -0.018 0.000 0.973 243 E CA 0.728 57.069 56.400 -0.098 0.000 0.851 243 E CB -1.626 28.114 29.700 0.067 0.000 0.804 243 E HN 0.501 nan 8.360 nan 0.000 0.477 244 Y N 1.231 121.466 120.300 -0.108 0.000 2.574 244 Y HA 0.170 4.724 4.550 0.007 0.000 0.294 244 Y C 0.206 176.032 175.900 -0.123 0.000 1.142 244 Y CA -0.206 57.830 58.100 -0.106 0.000 1.314 244 Y CB 0.207 38.612 38.460 -0.091 0.000 0.991 244 Y HN -0.221 nan 8.280 nan 0.000 0.555 245 V N 4.556 124.201 119.914 -0.448 0.000 2.407 245 V HA 0.185 4.309 4.120 0.007 0.000 0.278 245 V C -1.318 174.603 176.094 -0.289 0.000 1.037 245 V CA -1.159 60.863 62.300 -0.462 0.000 0.900 245 V CB 1.283 32.858 31.823 -0.413 0.000 0.983 245 V HN 0.312 nan 8.190 nan 0.000 0.459 246 P HA 0.291 nan 4.420 nan 0.000 0.282 246 P C 0.631 177.825 177.300 -0.177 0.000 1.373 246 P CA 0.061 63.027 63.100 -0.222 0.000 1.001 246 P CB 0.642 32.246 31.700 -0.160 0.000 1.489 247 L N -0.793 120.331 121.223 -0.165 0.000 2.592 247 L HA 0.369 4.714 4.340 0.007 0.000 0.227 247 L C 1.111 177.928 176.870 -0.087 0.000 1.127 247 L CA 0.500 55.264 54.840 -0.126 0.000 0.884 247 L CB -0.628 41.340 42.059 -0.151 0.000 1.065 247 L HN 0.126 nan 8.230 nan 0.000 0.457 248 G N 0.307 109.064 108.800 -0.070 0.000 2.655 248 G HA2 -0.144 3.821 3.960 0.007 0.000 0.680 248 G HA3 -0.144 3.821 3.960 0.007 0.000 0.680 248 G C -2.912 172.023 174.900 0.059 0.000 1.302 248 G CA -1.249 43.852 45.100 0.001 0.000 0.872 248 G HN -0.064 nan 8.290 nan 0.000 0.540 249 P HA 0.450 nan 4.420 nan 0.000 0.264 249 P C -0.150 177.236 177.300 0.143 0.000 1.193 249 P CA 0.172 63.219 63.100 -0.087 0.000 0.763 249 P CB 0.481 31.884 31.700 -0.495 0.000 0.810 250 F N 2.646 122.605 119.950 0.014 0.000 1.981 250 F HA 0.254 4.785 4.527 0.006 0.000 0.215 250 F C 1.457 177.322 175.800 0.108 0.000 1.260 250 F CA 0.222 58.261 58.000 0.064 0.000 1.284 250 F CB -0.673 38.355 39.000 0.046 0.000 1.898 250 F HN -0.007 nan 8.300 nan 0.000 0.175 251 L N 0.737 121.917 121.223 -0.072 0.000 2.275 251 L HA 0.019 4.363 4.340 0.007 0.000 0.215 251 L C 2.229 179.184 176.870 0.142 0.000 1.119 251 L CA 1.176 55.966 54.840 -0.083 0.000 0.790 251 L CB -1.228 40.815 42.059 -0.027 0.000 0.919 251 L HN 0.566 nan 8.230 nan 0.000 0.443 252 G N -0.463 108.434 108.800 0.161 0.000 2.625 252 G HA2 -0.136 3.828 3.960 0.007 0.000 0.214 252 G HA3 -0.136 3.828 3.960 0.007 0.000 0.214 252 G C 1.706 176.797 174.900 0.319 0.000 1.132 252 G CA 0.387 45.618 45.100 0.218 0.000 0.782 252 G HN 0.182 nan 8.290 nan 0.000 0.538 253 K N 0.018 120.547 120.400 0.215 0.000 2.493 253 K HA 0.057 4.382 4.320 0.007 0.000 0.201 253 K C 2.503 179.089 176.600 -0.024 0.000 1.355 253 K CA 0.867 57.221 56.287 0.111 0.000 0.953 253 K CB 0.012 32.614 32.500 0.170 0.000 1.316 253 K HN 0.311 nan 8.250 nan 0.000 0.522 254 S N 1.513 117.238 115.700 0.042 0.000 2.547 254 S HA -0.096 4.379 4.470 0.007 0.000 0.235 254 S C 1.822 176.420 174.600 -0.004 0.000 0.980 254 S CA 0.392 58.591 58.200 -0.003 0.000 0.941 254 S CB -0.892 62.267 63.200 -0.069 0.000 0.763 254 S HN 0.340 nan 8.310 nan 0.000 0.532 255 F N 1.030 120.989 119.950 0.014 0.000 2.502 255 F HA 0.542 5.074 4.527 0.008 0.000 0.298 255 F C 0.871 176.672 175.800 0.002 0.000 1.111 255 F CA -0.142 57.855 58.000 -0.006 0.000 1.445 255 F CB -0.641 38.348 39.000 -0.018 0.000 1.081 255 F HN 0.344 nan 8.300 nan 0.000 0.558 256 G N -0.527 107.973 108.800 -0.500 0.000 2.443 256 G HA2 0.432 4.396 3.960 0.007 0.000 0.303 256 G HA3 0.432 4.396 3.960 0.007 0.000 0.303 256 G C -1.606 173.231 174.900 -0.105 0.000 1.613 256 G CA -0.702 44.235 45.100 -0.271 0.000 0.879 256 G HN 0.064 nan 8.290 nan 0.000 0.632 257 T N 1.456 116.042 114.554 0.054 0.000 3.109 257 T HA 0.621 4.975 4.350 0.007 0.000 0.311 257 T C -0.304 174.448 174.700 0.087 0.000 1.011 257 T CA -0.424 61.725 62.100 0.081 0.000 1.026 257 T CB 1.729 70.529 68.868 -0.114 0.000 1.047 257 T HN 0.603 nan 8.240 nan 0.000 0.448 258 T N 4.302 118.959 114.554 0.172 0.000 2.867 258 T HA 0.755 5.109 4.350 0.007 0.000 0.282 258 T C 0.202 174.913 174.700 0.018 0.000 1.000 258 T CA -0.661 61.528 62.100 0.148 0.000 1.042 258 T CB 0.471 69.548 68.868 0.350 0.000 0.973 258 T HN 0.657 nan 8.240 nan 0.000 0.465 259 I N -0.627 119.955 120.570 0.020 0.000 2.785 259 I HA 0.740 4.915 4.170 0.007 0.000 0.302 259 I C 0.169 176.323 176.117 0.062 0.000 1.069 259 I CA -1.134 60.175 61.300 0.014 0.000 1.045 259 I CB 2.227 40.231 38.000 0.007 0.000 1.236 259 I HN 0.588 nan 8.210 nan 0.000 0.429 260 S N 3.290 119.044 115.700 0.090 0.000 2.585 260 S HA 0.380 4.854 4.470 0.007 0.000 0.273 260 S C -1.623 173.050 174.600 0.121 0.000 1.339 260 S CA -0.854 57.424 58.200 0.130 0.000 1.028 260 S CB 0.653 63.972 63.200 0.199 0.000 0.906 260 S HN 0.730 nan 8.310 nan 0.000 0.528 261 P HA 0.080 nan 4.420 nan 0.000 0.230 261 P C -0.580 176.606 177.300 -0.190 0.000 1.168 261 P CA 0.442 63.458 63.100 -0.140 0.000 0.793 261 P CB 0.050 31.544 31.700 -0.344 0.000 0.851 262 W N 0.933 122.327 121.300 0.157 0.000 2.316 262 W HA 0.313 4.977 4.660 0.007 0.000 0.308 262 W C -0.178 176.446 176.519 0.176 0.000 1.106 262 W CA -0.820 56.604 57.345 0.132 0.000 1.262 262 W CB 1.081 30.608 29.460 0.113 0.000 1.233 262 W HN -0.374 nan 8.180 nan 0.000 0.447 263 V N 5.712 125.885 119.914 0.432 0.000 2.372 263 V HA 0.053 4.178 4.120 0.007 0.000 0.261 263 V C 0.243 176.515 176.094 0.297 0.000 1.055 263 V CA -0.744 61.801 62.300 0.409 0.000 0.930 263 V CB 0.060 32.156 31.823 0.456 0.000 1.031 263 V HN 0.254 nan 8.190 nan 0.000 0.479 264 V N 9.386 129.385 119.914 0.142 0.000 2.439 264 V HA 0.195 4.319 4.120 0.007 0.000 0.271 264 V C -1.523 174.546 176.094 -0.043 0.000 1.040 264 V CA -1.358 60.901 62.300 -0.070 0.000 1.002 264 V CB 1.030 32.584 31.823 -0.448 0.000 1.000 264 V HN 0.719 nan 8.190 nan 0.000 0.477 265 P HA 0.099 nan 4.420 nan 0.000 0.271 265 P C 0.791 178.004 177.300 -0.144 0.000 1.218 265 P CA -0.342 62.630 63.100 -0.214 0.000 0.780 265 P CB 0.777 32.394 31.700 -0.139 0.000 0.901 266 M N 1.265 120.769 119.600 -0.160 0.000 2.202 266 M HA -0.137 4.347 4.480 0.007 0.000 0.262 266 M C 1.184 177.470 176.300 -0.023 0.000 1.063 266 M CA 1.710 56.953 55.300 -0.096 0.000 1.097 266 M CB -1.741 30.861 32.600 0.004 0.000 1.382 266 M HN 0.359 nan 8.290 nan 0.000 0.413 267 D N 0.366 120.777 120.400 0.018 0.000 2.182 267 D HA -0.065 4.579 4.640 0.007 0.000 0.201 267 D C 1.907 178.240 176.300 0.054 0.000 0.986 267 D CA 1.530 55.566 54.000 0.060 0.000 0.847 267 D CB -0.089 40.760 40.800 0.082 0.000 0.942 267 D HN 0.381 nan 8.370 nan 0.000 0.467 268 A N -0.034 122.807 122.820 0.035 0.000 2.067 268 A HA 0.011 4.336 4.320 0.007 0.000 0.217 268 A C 2.190 179.883 177.584 0.183 0.000 1.156 268 A CA 0.479 52.563 52.037 0.079 0.000 0.683 268 A CB -0.306 18.706 19.000 0.019 0.000 0.808 268 A HN 0.208 nan 8.150 nan 0.000 0.455 269 L N -1.123 120.168 121.223 0.113 0.000 2.416 269 L HA -0.006 4.338 4.340 0.007 0.000 0.216 269 L C 2.237 179.299 176.870 0.320 0.000 1.098 269 L CA -0.041 54.918 54.840 0.198 0.000 0.840 269 L CB -0.351 41.581 42.059 -0.212 0.000 0.981 269 L HN 0.222 nan 8.230 nan 0.000 0.462 270 M N 0.255 119.978 119.600 0.205 0.000 2.144 270 M HA -0.148 4.337 4.480 0.007 0.000 0.260 270 M C -0.251 176.084 176.300 0.058 0.000 1.067 270 M CA 1.971 57.394 55.300 0.204 0.000 1.095 270 M CB -2.195 30.475 32.600 0.117 0.000 1.365 270 M HN 0.042 nan 8.290 nan 0.000 0.406 271 P HA -0.092 nan 4.420 nan 0.000 0.228 271 P C 0.669 177.608 177.300 -0.600 0.000 1.151 271 P CA 1.051 63.887 63.100 -0.440 0.000 0.770 271 P CB -0.201 31.089 31.700 -0.683 0.000 0.786 272 F N -2.396 117.647 119.950 0.154 0.000 2.647 272 F HA 0.170 4.701 4.527 0.007 0.000 0.300 272 F C 1.030 176.913 175.800 0.138 0.000 1.106 272 F CA -0.515 57.573 58.000 0.146 0.000 1.313 272 F CB -0.087 39.017 39.000 0.172 0.000 1.007 272 F HN -0.298 nan 8.300 nan 0.000 0.536 273 V N 2.289 122.273 119.914 0.117 0.000 2.811 273 V HA 0.485 4.609 4.120 0.007 0.000 0.302 273 V C 0.012 176.017 176.094 -0.149 0.000 1.063 273 V CA -0.314 61.853 62.300 -0.222 0.000 1.088 273 V CB 1.470 33.092 31.823 -0.335 0.000 0.982 273 V HN 0.064 nan 8.190 nan 0.000 0.485 274 V N 3.800 123.585 119.914 -0.215 0.000 3.130 274 V HA 0.753 4.877 4.120 0.007 0.000 0.310 274 V C -2.748 173.258 176.094 -0.147 0.000 1.158 274 V CA -2.228 59.997 62.300 -0.126 0.000 1.029 274 V CB 1.832 33.608 31.823 -0.079 0.000 1.057 274 V HN 0.762 nan 8.190 nan 0.000 0.436 275 P HA 0.131 nan 4.420 nan 0.000 0.269 275 P C -0.679 176.550 177.300 -0.119 0.000 1.209 275 P CA 0.058 63.097 63.100 -0.101 0.000 0.776 275 P CB 0.269 31.921 31.700 -0.080 0.000 0.876 276 N N 2.476 121.102 118.700 -0.124 0.000 2.508 276 N HA 0.193 4.937 4.740 0.007 0.000 0.264 276 N C -2.039 173.360 175.510 -0.184 0.000 1.216 276 N CA -0.931 52.028 53.050 -0.152 0.000 0.943 276 N CB -0.957 37.431 38.487 -0.164 0.000 1.113 276 N HN 0.322 nan 8.380 nan 0.000 0.447 277 P HA 0.037 nan 4.420 nan 0.000 0.269 277 P C -0.019 177.104 177.300 -0.296 0.000 1.215 277 P CA -0.069 62.897 63.100 -0.223 0.000 0.780 277 P CB 0.651 32.203 31.700 -0.246 0.000 0.898 278 K N 2.676 122.948 120.400 -0.214 0.000 2.379 278 K HA 0.060 4.385 4.320 0.007 0.000 0.284 278 K C -0.371 176.065 176.600 -0.274 0.000 1.044 278 K CA -0.011 56.154 56.287 -0.204 0.000 0.974 278 K CB 0.183 32.615 32.500 -0.113 0.000 0.962 278 K HN 0.399 nan 8.250 nan 0.000 0.474 279 Q N 3.214 122.812 119.800 -0.336 0.000 2.314 279 Q HA 0.173 4.517 4.340 0.007 0.000 0.259 279 Q C -1.382 174.545 176.000 -0.121 0.000 0.951 279 Q CA -0.600 54.987 55.803 -0.361 0.000 0.909 279 Q CB 1.655 30.039 28.738 -0.590 0.000 1.236 279 Q HN 0.501 nan 8.270 nan 0.000 0.444 280 D N 3.502 123.909 120.400 0.012 0.000 2.686 280 D HA 0.297 4.941 4.640 0.007 0.000 0.249 280 D C -2.354 173.960 176.300 0.023 0.000 1.260 280 D CA -1.610 52.395 54.000 0.009 0.000 0.910 280 D CB 1.435 42.239 40.800 0.006 0.000 1.323 280 D HN 0.212 nan 8.370 nan 0.000 0.561 281 P HA 0.165 nan 4.420 nan 0.000 0.269 281 P C -0.547 176.751 177.300 -0.003 0.000 1.215 281 P CA -0.419 62.686 63.100 0.009 0.000 0.780 281 P CB 0.611 32.338 31.700 0.044 0.000 0.898 282 K N 2.562 122.964 120.400 0.003 0.000 2.326 282 K HA 0.303 4.628 4.320 0.007 0.000 0.275 282 K C -1.940 174.681 176.600 0.035 0.000 1.018 282 K CA -1.506 54.769 56.287 -0.020 0.000 0.962 282 K CB -0.518 31.966 32.500 -0.026 0.000 0.953 282 K HN 0.332 nan 8.250 nan 0.000 0.475 283 P HA 0.025 nan 4.420 nan 0.000 0.272 283 P C -0.196 177.159 177.300 0.092 0.000 1.240 283 P CA -0.416 62.750 63.100 0.110 0.000 0.791 283 P CB 0.595 32.366 31.700 0.119 0.000 0.978 284 L N 2.258 123.560 121.223 0.132 0.000 2.483 284 L HA -0.008 4.337 4.340 0.007 0.000 0.275 284 L C -0.937 176.003 176.870 0.116 0.000 1.220 284 L CA -1.121 53.822 54.840 0.172 0.000 0.833 284 L CB -0.431 41.827 42.059 0.331 0.000 1.102 284 L HN 0.325 nan 8.230 nan 0.000 0.490 285 P HA -0.252 nan 4.420 nan 0.000 0.217 285 P C 1.164 178.547 177.300 0.139 0.000 1.151 285 P CA 1.541 64.712 63.100 0.119 0.000 0.849 285 P CB -0.082 31.691 31.700 0.122 0.000 0.787 286 Y N -1.664 118.680 120.300 0.074 0.000 2.497 286 Y HA 0.018 4.572 4.550 0.006 0.000 0.292 286 Y C 1.441 177.402 175.900 0.101 0.000 1.137 286 Y CA 0.754 58.901 58.100 0.078 0.000 1.285 286 Y CB -1.138 37.364 38.460 0.069 0.000 0.991 286 Y HN -0.103 nan 8.280 nan 0.000 0.556 287 L N -0.012 120.952 121.223 -0.432 0.000 2.693 287 L HA 0.217 4.562 4.340 0.007 0.000 0.235 287 L C 0.324 177.170 176.870 -0.039 0.000 1.127 287 L CA -0.467 54.185 54.840 -0.313 0.000 0.914 287 L CB 0.386 42.195 42.059 -0.417 0.000 1.193 287 L HN 0.308 nan 8.230 nan 0.000 0.502 288 C N 1.335 120.624 119.300 -0.018 0.000 2.369 288 C HA 0.512 4.977 4.460 0.007 0.000 0.358 288 C C 0.022 175.042 174.990 0.049 0.000 1.274 288 C CA -0.270 58.733 59.018 -0.024 0.000 1.935 288 C CB -0.790 26.935 27.740 -0.025 0.000 2.431 288 C HN 0.605 nan 8.230 nan 0.000 0.545 289 H N 1.371 120.420 119.070 -0.036 0.000 2.974 289 H HA 0.486 5.047 4.556 0.009 0.000 0.366 289 H C 0.061 175.366 175.328 -0.039 0.000 1.155 289 H CA -0.047 55.982 56.048 -0.031 0.000 1.186 289 H CB 0.907 30.648 29.762 -0.036 0.000 1.799 289 H HN 0.390 nan 8.280 nan 0.000 0.541 290 S N 1.414 117.139 115.700 0.042 0.000 2.483 290 S HA -0.031 4.443 4.470 0.007 0.000 0.221 290 S C 0.809 175.445 174.600 0.060 0.000 1.030 290 S CA -0.048 58.143 58.200 -0.015 0.000 0.925 290 S CB -0.183 63.010 63.200 -0.012 0.000 0.795 290 S HN 0.767 nan 8.310 nan 0.000 0.511 291 Q N 3.012 122.910 119.800 0.163 0.000 2.286 291 Q HA 0.168 4.513 4.340 0.007 0.000 0.290 291 Q C -2.656 173.466 176.000 0.203 0.000 1.049 291 Q CA -1.627 54.260 55.803 0.141 0.000 0.923 291 Q CB 0.306 29.095 28.738 0.084 0.000 1.183 291 Q HN 0.181 nan 8.270 nan 0.000 0.383 292 P HA -0.014 nan 4.420 nan 0.000 0.271 292 P C -1.430 175.904 177.300 0.056 0.000 1.216 292 P CA 0.422 63.537 63.100 0.026 0.000 0.771 292 P CB 0.247 31.907 31.700 -0.065 0.000 0.864 293 Y N 0.931 121.124 120.300 -0.178 0.000 2.919 293 Y HA 0.204 4.759 4.550 0.008 0.000 0.245 293 Y C -0.665 174.998 175.900 -0.395 0.000 0.959 293 Y CA 0.043 57.974 58.100 -0.281 0.000 1.118 293 Y CB 0.435 38.864 38.460 -0.052 0.000 1.224 293 Y HN 0.173 nan 8.280 nan 0.000 0.658 294 T N 1.443 115.656 114.554 -0.568 0.000 2.829 294 T HA 0.571 4.925 4.350 0.007 0.000 0.280 294 T C -1.068 173.248 174.700 -0.639 0.000 0.999 294 T CA -0.211 61.657 62.100 -0.387 0.000 0.983 294 T CB 0.998 69.734 68.868 -0.220 0.000 0.968 294 T HN 0.026 nan 8.240 nan 0.000 0.446 295 F N 1.243 121.232 119.950 0.063 0.000 2.532 295 F HA 0.384 4.915 4.527 0.007 0.000 0.321 295 F C 0.416 176.304 175.800 0.147 0.000 1.089 295 F CA -1.254 56.838 58.000 0.153 0.000 0.926 295 F CB 1.285 40.434 39.000 0.247 0.000 1.168 295 F HN 0.371 nan 8.300 nan 0.000 0.459 296 D N 3.937 124.514 120.400 0.295 0.000 2.453 296 D HA 0.332 4.977 4.640 0.007 0.000 0.223 296 D C -0.727 175.657 176.300 0.139 0.000 1.183 296 D CA 0.237 54.337 54.000 0.167 0.000 0.933 296 D CB -0.077 40.811 40.800 0.147 0.000 1.038 296 D HN 0.376 nan 8.370 nan 0.000 0.513 297 I N 3.037 123.684 120.570 0.128 0.000 2.439 297 I HA 0.215 4.389 4.170 0.007 0.000 0.285 297 I C 0.062 176.185 176.117 0.010 0.000 1.021 297 I CA -0.928 60.397 61.300 0.040 0.000 1.091 297 I CB 1.488 39.498 38.000 0.017 0.000 1.242 297 I HN 0.052 nan 8.210 nan 0.000 0.439 298 N N 7.683 126.378 118.700 -0.008 0.000 2.458 298 N HA 0.429 5.174 4.740 0.007 0.000 0.270 298 N C -0.837 174.673 175.510 0.000 0.000 1.102 298 N CA -0.080 52.978 53.050 0.014 0.000 0.967 298 N CB 1.677 40.185 38.487 0.035 0.000 1.078 298 N HN 0.407 nan 8.380 nan 0.000 0.471 299 L N 0.829 122.055 121.223 0.004 0.000 2.334 299 L HA 0.468 4.812 4.340 0.007 0.000 0.276 299 L C 0.350 177.230 176.870 0.016 0.000 1.014 299 L CA -0.561 54.265 54.840 -0.023 0.000 0.815 299 L CB 1.898 43.942 42.059 -0.026 0.000 1.268 299 L HN 0.361 nan 8.230 nan 0.000 0.428 300 S N 1.487 117.193 115.700 0.010 0.000 2.547 300 S HA 0.771 5.245 4.470 0.007 0.000 0.281 300 S C -1.195 173.415 174.600 0.016 0.000 1.118 300 S CA -0.474 57.743 58.200 0.029 0.000 0.947 300 S CB 1.839 65.074 63.200 0.058 0.000 1.053 300 S HN 0.260 nan 8.310 nan 0.000 0.482 301 V N 4.191 124.116 119.914 0.017 0.000 2.483 301 V HA 0.685 4.809 4.120 0.007 0.000 0.297 301 V C -0.139 175.968 176.094 0.022 0.000 1.027 301 V CA -0.667 61.639 62.300 0.011 0.000 0.855 301 V CB 1.532 33.355 31.823 0.001 0.000 0.995 301 V HN 0.948 nan 8.190 nan 0.000 0.424 302 S N 5.320 121.037 115.700 0.030 0.000 2.568 302 S HA 0.907 5.382 4.470 0.007 0.000 0.302 302 S C -0.973 173.656 174.600 0.047 0.000 1.082 302 S CA -0.763 57.459 58.200 0.037 0.000 1.009 302 S CB 2.260 65.484 63.200 0.040 0.000 1.069 302 S HN 0.717 nan 8.310 nan 0.000 0.500 303 L N 1.181 122.433 121.223 0.049 0.000 2.408 303 L HA 0.725 5.069 4.340 0.007 0.000 0.268 303 L C -1.131 175.773 176.870 0.058 0.000 0.986 303 L CA -0.498 54.379 54.840 0.063 0.000 0.820 303 L CB 1.873 43.969 42.059 0.061 0.000 1.303 303 L HN 0.942 nan 8.230 nan 0.000 0.411 304 K N 3.435 123.875 120.400 0.066 0.000 2.578 304 K HA 0.606 4.930 4.320 0.007 0.000 0.250 304 K C -0.731 175.905 176.600 0.059 0.000 0.955 304 K CA -0.488 55.833 56.287 0.056 0.000 0.825 304 K CB 1.768 34.300 32.500 0.053 0.000 1.151 304 K HN 0.796 nan 8.250 nan 0.000 0.432 305 G N 2.308 111.138 108.800 0.051 0.000 2.552 305 G HA2 0.277 4.242 3.960 0.007 0.000 0.318 305 G HA3 0.277 4.242 3.960 0.007 0.000 0.318 305 G C -0.870 174.054 174.900 0.039 0.000 1.240 305 G CA -0.576 44.553 45.100 0.049 0.000 1.002 305 G HN 0.635 nan 8.290 nan 0.000 0.493 306 E N -0.762 119.459 120.200 0.035 0.000 2.360 306 E HA 0.393 4.747 4.350 0.007 0.000 0.269 306 E C 0.987 177.602 176.600 0.026 0.000 1.022 306 E CA 0.937 57.354 56.400 0.028 0.000 0.887 306 E CB 0.943 30.658 29.700 0.024 0.000 0.990 306 E HN 0.948 nan 8.360 nan 0.000 0.426 307 G N 2.759 111.572 108.800 0.023 0.000 2.175 307 G HA2 -0.287 3.678 3.960 0.007 0.000 0.244 307 G HA3 -0.287 3.678 3.960 0.007 0.000 0.244 307 G C 0.100 175.012 174.900 0.021 0.000 0.982 307 G CA -0.152 44.960 45.100 0.020 0.000 0.641 307 G HN 0.420 nan 8.290 nan 0.000 0.527 308 M N 1.347 120.961 119.600 0.024 0.000 2.294 308 M HA 0.431 4.916 4.480 0.007 0.000 0.335 308 M C 1.599 177.913 176.300 0.023 0.000 1.079 308 M CA 0.044 55.358 55.300 0.024 0.000 0.982 308 M CB 1.869 34.486 32.600 0.028 0.000 1.651 308 M HN 0.265 nan 8.290 nan 0.000 0.437 309 S N 1.496 117.209 115.700 0.021 0.000 2.406 309 S HA 0.008 4.482 4.470 0.007 0.000 0.224 309 S C 0.587 175.199 174.600 0.021 0.000 1.030 309 S CA 0.306 58.517 58.200 0.020 0.000 0.958 309 S CB 0.104 63.314 63.200 0.016 0.000 0.811 309 S HN 0.786 nan 8.310 nan 0.000 0.489 310 Q N 0.382 120.195 119.800 0.021 0.000 2.365 310 Q HA 0.690 5.035 4.340 0.007 0.000 0.269 310 Q C -1.371 174.645 176.000 0.026 0.000 1.061 310 Q CA -0.887 54.930 55.803 0.022 0.000 0.816 310 Q CB 2.061 30.809 28.738 0.018 0.000 1.325 310 Q HN 0.425 nan 8.270 nan 0.000 0.446 311 A N 1.723 124.561 122.820 0.029 0.000 2.388 311 A HA 0.667 4.991 4.320 0.007 0.000 0.257 311 A C -0.582 177.019 177.584 0.028 0.000 1.095 311 A CA 0.121 52.178 52.037 0.034 0.000 0.791 311 A CB 0.554 19.578 19.000 0.040 0.000 1.029 311 A HN 0.711 nan 8.150 nan 0.000 0.489 312 A N 1.985 124.822 122.820 0.028 0.000 2.305 312 A HA 0.632 4.956 4.320 0.007 0.000 0.322 312 A C 0.325 177.923 177.584 0.023 0.000 1.187 312 A CA -0.389 51.661 52.037 0.022 0.000 0.825 312 A CB 0.292 19.304 19.000 0.020 0.000 1.164 312 A HN 0.779 nan 8.150 nan 0.000 0.498 313 T N 3.033 117.597 114.554 0.017 0.000 2.727 313 T HA 0.301 4.655 4.350 0.007 0.000 0.295 313 T C 1.319 176.026 174.700 0.012 0.000 0.915 313 T CA 0.284 62.394 62.100 0.017 0.000 1.066 313 T CB -0.259 68.617 68.868 0.014 0.000 0.891 313 T HN 0.592 nan 8.240 nan 0.000 0.516 314 I N -0.107 120.472 120.570 0.015 0.000 3.968 314 I HA 0.467 4.641 4.170 0.007 0.000 0.328 314 I C 0.570 176.692 176.117 0.009 0.000 1.290 314 I CA -0.368 60.938 61.300 0.010 0.000 1.163 314 I CB 0.409 38.418 38.000 0.015 0.000 1.024 314 I HN 0.490 nan 8.210 nan 0.000 0.413 315 C N 1.555 120.863 119.300 0.014 0.000 2.891 315 C HA 0.589 5.054 4.460 0.007 0.000 0.342 315 C C -1.155 173.850 174.990 0.025 0.000 1.126 315 C CA -0.425 58.606 59.018 0.021 0.000 1.322 315 C CB 1.884 29.648 27.740 0.040 0.000 1.763 315 C HN 0.498 nan 8.230 nan 0.000 0.491 316 R N 3.880 124.396 120.500 0.027 0.000 2.500 316 R HA 0.642 4.987 4.340 0.007 0.000 0.299 316 R C -0.680 175.661 176.300 0.069 0.000 1.038 316 R CA -0.068 56.056 56.100 0.039 0.000 0.903 316 R CB 2.058 32.373 30.300 0.024 0.000 1.177 316 R HN 0.800 nan 8.270 nan 0.000 0.455 317 S N 1.408 117.166 115.700 0.096 0.000 2.971 317 S HA 0.565 5.040 4.470 0.007 0.000 0.320 317 S C -1.475 173.207 174.600 0.136 0.000 1.111 317 S CA -0.697 57.606 58.200 0.173 0.000 0.870 317 S CB 1.680 65.002 63.200 0.204 0.000 1.331 317 S HN 0.592 nan 8.310 nan 0.000 0.635 318 N N 0.014 118.801 118.700 0.145 0.000 2.446 318 N HA 0.278 5.023 4.740 0.007 0.000 0.272 318 N C -0.735 174.783 175.510 0.014 0.000 1.127 318 N CA -0.405 52.637 53.050 -0.013 0.000 0.896 318 N CB 1.258 39.624 38.487 -0.201 0.000 1.658 318 N HN 0.519 nan 8.380 nan 0.000 0.483 319 F N 3.344 123.250 119.950 -0.073 0.000 2.451 319 F HA 0.039 4.570 4.527 0.007 0.000 0.299 319 F C 2.102 177.902 175.800 -0.000 0.000 1.101 319 F CA 1.218 59.217 58.000 -0.002 0.000 1.436 319 F CB 0.207 39.220 39.000 0.022 0.000 1.074 319 F HN 0.619 nan 8.300 nan 0.000 0.553 320 K N -1.159 119.147 120.400 -0.156 0.000 2.504 320 K HA -0.130 4.195 4.320 0.007 0.000 0.195 320 K C 0.532 177.013 176.600 -0.198 0.000 1.036 320 K CA 1.090 57.244 56.287 -0.222 0.000 0.984 320 K CB -0.692 31.703 32.500 -0.175 0.000 0.788 320 K HN 0.255 nan 8.250 nan 0.000 0.488 321 H N 0.877 119.929 119.070 -0.029 0.000 2.669 321 H HA 0.194 4.755 4.556 0.008 0.000 0.297 321 H C -0.154 175.183 175.328 0.015 0.000 1.071 321 H CA 0.113 56.170 56.048 0.016 0.000 1.182 321 H CB -0.147 29.658 29.762 0.072 0.000 1.343 321 H HN 0.163 nan 8.280 nan 0.000 0.582 322 M N -0.292 119.305 119.600 -0.004 0.000 2.238 322 M HA 0.046 4.530 4.480 0.007 0.000 0.350 322 M C 0.968 177.298 176.300 0.050 0.000 1.138 322 M CA -0.718 54.591 55.300 0.015 0.000 1.040 322 M CB 1.131 33.603 32.600 -0.214 0.000 1.639 322 M HN 0.116 nan 8.290 nan 0.000 0.451 323 Y N 1.849 122.157 120.300 0.012 0.000 2.206 323 Y HA 0.026 4.580 4.550 0.007 0.000 0.292 323 Y C -0.136 175.551 175.900 -0.355 0.000 1.123 323 Y CA 1.279 59.282 58.100 -0.161 0.000 1.142 323 Y CB 0.430 38.843 38.460 -0.077 0.000 1.006 323 Y HN 0.599 nan 8.280 nan 0.000 0.518 324 W N 1.399 122.724 121.300 0.043 0.000 2.417 324 W HA 0.371 5.036 4.660 0.008 0.000 0.317 324 W C 0.366 176.850 176.519 -0.059 0.000 1.121 324 W CA -0.709 56.588 57.345 -0.080 0.000 1.208 324 W CB 0.752 30.135 29.460 -0.127 0.000 1.253 324 W HN -0.097 nan 8.180 nan 0.000 0.533 325 T N -0.154 114.522 114.554 0.203 0.000 2.816 325 T HA 0.213 4.567 4.350 0.007 0.000 0.282 325 T C 0.988 175.779 174.700 0.152 0.000 0.993 325 T CA -0.521 61.688 62.100 0.182 0.000 0.994 325 T CB 0.899 69.920 68.868 0.255 0.000 1.025 325 T HN 0.538 nan 8.240 nan 0.000 0.529 326 M N 0.426 120.134 119.600 0.181 0.000 2.213 326 M HA 0.018 4.503 4.480 0.007 0.000 0.263 326 M C 2.113 178.348 176.300 -0.109 0.000 1.062 326 M CA 1.399 56.725 55.300 0.044 0.000 1.105 326 M CB -0.650 31.873 32.600 -0.129 0.000 1.385 326 M HN 0.584 nan 8.290 nan 0.000 0.417 327 L N -0.393 120.696 121.223 -0.223 0.000 2.046 327 L HA -0.233 4.112 4.340 0.007 0.000 0.208 327 L C 2.443 179.248 176.870 -0.108 0.000 1.077 327 L CA 1.426 56.074 54.840 -0.320 0.000 0.747 327 L CB -0.771 40.879 42.059 -0.681 0.000 0.896 327 L HN 0.398 nan 8.230 nan 0.000 0.432 328 Q N -0.408 119.386 119.800 -0.010 0.000 2.119 328 Q HA -0.209 4.136 4.340 0.007 0.000 0.201 328 Q C 2.266 178.249 176.000 -0.028 0.000 0.972 328 Q CA 1.231 57.062 55.803 0.046 0.000 0.847 328 Q CB -0.060 28.802 28.738 0.206 0.000 0.903 328 Q HN 0.568 nan 8.270 nan 0.000 0.433 329 Q N 0.411 120.151 119.800 -0.101 0.000 2.050 329 Q HA -0.163 4.181 4.340 0.007 0.000 0.202 329 Q C 2.175 178.227 176.000 0.086 0.000 0.980 329 Q CA 1.117 56.733 55.803 -0.311 0.000 0.840 329 Q CB -0.160 28.175 28.738 -0.672 0.000 0.898 329 Q HN 0.271 nan 8.270 nan 0.000 0.424 330 L N 0.358 121.701 121.223 0.199 0.000 2.017 330 L HA -0.189 4.156 4.340 0.007 0.000 0.208 330 L C 2.187 179.176 176.870 0.197 0.000 1.073 330 L CA 1.782 56.786 54.840 0.273 0.000 0.745 330 L CB -0.536 41.667 42.059 0.240 0.000 0.894 330 L HN 0.155 nan 8.230 nan 0.000 0.432 331 T N -1.949 112.688 114.554 0.138 0.000 2.708 331 T HA -0.260 4.094 4.350 0.007 0.000 0.266 331 T C 1.780 176.622 174.700 0.237 0.000 1.037 331 T CA 1.708 63.897 62.100 0.148 0.000 1.146 331 T CB -0.486 68.452 68.868 0.116 0.000 0.865 331 T HN 0.552 nan 8.240 nan 0.000 0.435 332 H N 0.570 119.729 119.070 0.148 0.000 2.353 332 H HA -0.107 4.454 4.556 0.009 0.000 0.300 332 H C 2.243 177.699 175.328 0.214 0.000 1.090 332 H CA 1.761 57.927 56.048 0.196 0.000 1.327 332 H CB -0.380 29.408 29.762 0.044 0.000 1.383 332 H HN 0.309 nan 8.280 nan 0.000 0.508 333 H N -0.391 118.768 119.070 0.149 0.000 2.489 333 H HA -0.049 4.513 4.556 0.010 0.000 0.293 333 H C 1.699 177.036 175.328 0.015 0.000 1.066 333 H CA 1.597 57.707 56.048 0.103 0.000 1.305 333 H CB -0.007 29.899 29.762 0.239 0.000 1.386 333 H HN 0.545 nan 8.280 nan 0.000 0.551 334 S N -1.287 114.517 115.700 0.174 0.000 2.559 334 S HA 0.065 4.539 4.470 0.007 0.000 0.226 334 S C 1.985 176.591 174.600 0.009 0.000 1.000 334 S CA 0.365 58.608 58.200 0.071 0.000 0.948 334 S CB -0.032 63.180 63.200 0.019 0.000 0.870 334 S HN 0.103 nan 8.310 nan 0.000 0.497 335 V N 4.152 124.066 119.914 -0.000 0.000 2.469 335 V HA -0.208 3.917 4.120 0.007 0.000 0.251 335 V C 2.028 178.054 176.094 -0.113 0.000 1.064 335 V CA 2.368 64.636 62.300 -0.054 0.000 1.066 335 V CB -0.835 30.943 31.823 -0.076 0.000 0.667 335 V HN 0.849 nan 8.190 nan 0.000 0.461 336 N N -0.184 118.448 118.700 -0.113 0.000 2.398 336 N HA 0.187 4.932 4.740 0.007 0.000 0.188 336 N C 1.247 176.682 175.510 -0.125 0.000 1.122 336 N CA 1.090 54.069 53.050 -0.117 0.000 0.866 336 N CB 0.468 38.892 38.487 -0.105 0.000 0.970 336 N HN 0.598 nan 8.380 nan 0.000 0.462 337 G N -0.468 108.263 108.800 -0.116 0.000 2.194 337 G HA2 -0.282 3.683 3.960 0.007 0.000 0.236 337 G HA3 -0.282 3.683 3.960 0.007 0.000 0.236 337 G C 0.165 174.975 174.900 -0.150 0.000 0.987 337 G CA -0.060 44.937 45.100 -0.172 0.000 0.635 337 G HN 0.668 nan 8.290 nan 0.000 0.520 338 C N 3.017 122.290 119.300 -0.045 0.000 2.538 338 C HA 0.459 4.924 4.460 0.007 0.000 0.408 338 C C 0.940 175.963 174.990 0.055 0.000 1.421 338 C CA -0.110 58.940 59.018 0.054 0.000 1.642 338 C CB -0.755 27.070 27.740 0.142 0.000 2.553 338 C HN 0.661 nan 8.230 nan 0.000 0.604 339 N N 7.054 125.824 118.700 0.116 0.000 2.420 339 N HA 0.289 5.034 4.740 0.007 0.000 0.249 339 N C -0.922 174.603 175.510 0.025 0.000 1.033 339 N CA -0.203 52.899 53.050 0.087 0.000 0.944 339 N CB 0.436 39.025 38.487 0.171 0.000 1.113 339 N HN 0.718 nan 8.380 nan 0.000 0.502 340 L N 1.965 123.171 121.223 -0.027 0.000 2.371 340 L HA 0.395 4.739 4.340 0.007 0.000 0.272 340 L C 0.990 177.861 176.870 0.002 0.000 1.124 340 L CA -0.454 54.351 54.840 -0.058 0.000 0.816 340 L CB 0.611 42.618 42.059 -0.088 0.000 1.129 340 L HN 0.370 nan 8.230 nan 0.000 0.448 341 R N 2.384 122.892 120.500 0.014 0.000 2.854 341 R HA 0.469 4.813 4.340 0.007 0.000 0.271 341 R C -2.585 173.749 176.300 0.057 0.000 0.996 341 R CA -2.124 53.998 56.100 0.035 0.000 0.961 341 R CB 1.400 31.712 30.300 0.020 0.000 1.182 341 R HN 0.283 nan 8.270 nan 0.000 0.479 342 P HA -0.029 nan 4.420 nan 0.000 0.262 342 P C 0.487 177.804 177.300 0.028 0.000 1.182 342 P CA 1.141 64.265 63.100 0.041 0.000 0.761 342 P CB 0.521 32.218 31.700 -0.005 0.000 0.795 343 G N 1.914 110.752 108.800 0.063 0.000 2.217 343 G HA2 -0.199 3.766 3.960 0.007 0.000 0.246 343 G HA3 -0.199 3.766 3.960 0.007 0.000 0.246 343 G C 0.054 175.121 174.900 0.279 0.000 0.990 343 G CA -0.304 44.877 45.100 0.135 0.000 0.627 343 G HN 0.488 nan 8.290 nan 0.000 0.522 344 D N 0.100 120.597 120.400 0.161 0.000 2.423 344 D HA 0.447 5.092 4.640 0.007 0.000 0.238 344 D C 0.261 176.570 176.300 0.015 0.000 1.142 344 D CA 0.139 54.187 54.000 0.081 0.000 0.884 344 D CB 1.391 42.197 40.800 0.010 0.000 1.199 344 D HN 0.292 nan 8.370 nan 0.000 0.438 345 L N 2.895 124.069 121.223 -0.082 0.000 2.333 345 L HA 0.389 4.734 4.340 0.007 0.000 0.280 345 L C -1.546 175.212 176.870 -0.187 0.000 1.004 345 L CA -0.579 54.077 54.840 -0.305 0.000 0.820 345 L CB 1.230 43.078 42.059 -0.351 0.000 1.247 345 L HN 0.171 nan 8.230 nan 0.000 0.416 346 L N 5.528 126.479 121.223 -0.454 0.000 2.316 346 L HA 0.771 5.115 4.340 0.007 0.000 0.280 346 L C 0.065 176.814 176.870 -0.201 0.000 1.006 346 L CA -0.112 54.531 54.840 -0.328 0.000 0.836 346 L CB 1.452 43.153 42.059 -0.597 0.000 1.221 346 L HN 0.736 nan 8.230 nan 0.000 0.418 347 A N 1.621 124.510 122.820 0.116 0.000 2.293 347 A HA 0.562 4.886 4.320 0.007 0.000 0.302 347 A C 1.141 178.947 177.584 0.370 0.000 1.119 347 A CA 0.226 52.383 52.037 0.200 0.000 0.823 347 A CB 0.757 19.898 19.000 0.236 0.000 1.097 347 A HN 0.828 nan 8.150 nan 0.000 0.491 348 S N 1.339 117.260 115.700 0.369 0.000 2.383 348 S HA 0.379 4.854 4.470 0.007 0.000 0.227 348 S C 1.089 175.945 174.600 0.426 0.000 1.026 348 S CA 0.861 59.334 58.200 0.454 0.000 0.981 348 S CB -0.770 62.776 63.200 0.577 0.000 0.818 348 S HN 2.711 nan 8.310 nan 0.000 0.472 349 G N -0.236 108.767 108.800 0.337 0.000 2.515 349 G HA2 0.063 4.027 3.960 0.007 0.000 0.686 349 G HA3 0.063 4.027 3.960 0.007 0.000 0.686 349 G C -0.595 174.403 174.900 0.163 0.000 1.274 349 G CA -0.632 44.654 45.100 0.310 0.000 0.874 349 G HN 0.418 nan 8.290 nan 0.000 0.631 350 T N 0.956 115.474 114.554 -0.060 0.000 2.867 350 T HA 0.356 4.710 4.350 0.007 0.000 0.297 350 T C 1.105 175.747 174.700 -0.097 0.000 0.989 350 T CA 0.506 62.442 62.100 -0.273 0.000 1.159 350 T CB 0.159 68.497 68.868 -0.884 0.000 0.928 350 T HN 0.544 nan 8.240 nan 0.000 0.538 351 I N 3.349 123.952 120.570 0.055 0.000 2.322 351 I HA 0.229 4.404 4.170 0.007 0.000 0.292 351 I C 0.504 176.738 176.117 0.195 0.000 1.060 351 I CA -0.025 61.379 61.300 0.174 0.000 1.309 351 I CB 0.540 38.678 38.000 0.229 0.000 1.415 351 I HN 0.493 nan 8.210 nan 0.000 0.492 352 S N 3.693 119.529 115.700 0.228 0.000 2.538 352 S HA 0.691 5.165 4.470 0.007 0.000 0.288 352 S C 0.172 174.865 174.600 0.155 0.000 1.108 352 S CA -0.694 57.655 58.200 0.248 0.000 0.971 352 S CB 2.037 65.361 63.200 0.205 0.000 1.041 352 S HN 0.769 nan 8.310 nan 0.000 0.483 353 G N 0.814 109.661 108.800 0.078 0.000 2.557 353 G HA2 0.447 4.411 3.960 0.007 0.000 0.302 353 G HA3 0.447 4.411 3.960 0.007 0.000 0.302 353 G C 0.924 175.792 174.900 -0.054 0.000 1.311 353 G CA -0.335 44.513 45.100 -0.421 0.000 1.030 353 G HN 0.712 nan 8.290 nan 0.000 0.509 354 S N -1.206 114.404 115.700 -0.151 0.000 2.461 354 S HA -0.014 4.461 4.470 0.007 0.000 0.228 354 S C 0.707 175.331 174.600 0.040 0.000 1.005 354 S CA 0.471 58.683 58.200 0.020 0.000 0.942 354 S CB -0.034 63.144 63.200 -0.038 0.000 0.776 354 S HN 0.557 nan 8.310 nan 0.000 0.514 355 D N 2.736 123.085 120.400 -0.085 0.000 2.351 355 D HA 0.192 4.836 4.640 0.007 0.000 0.251 355 D C -1.911 174.063 176.300 -0.545 0.000 1.137 355 D CA -1.931 51.951 54.000 -0.198 0.000 0.879 355 D CB 1.539 42.254 40.800 -0.141 0.000 1.181 355 D HN -0.030 nan 8.370 nan 0.000 0.448 356 P HA -0.114 nan 4.420 nan 0.000 0.219 356 P C 0.658 177.427 177.300 -0.886 0.000 1.146 356 P CA 0.864 63.207 63.100 -1.262 0.000 0.808 356 P CB 0.341 31.708 31.700 -0.555 0.000 0.779 357 E N -0.922 119.005 120.200 -0.455 0.000 2.482 357 E HA -0.004 4.351 4.350 0.007 0.000 0.196 357 E C 1.238 177.742 176.600 -0.160 0.000 1.047 357 E CA 0.767 57.024 56.400 -0.238 0.000 0.869 357 E CB -0.322 29.295 29.700 -0.138 0.000 0.836 357 E HN 0.352 nan 8.360 nan 0.000 0.520 358 S N -0.585 114.994 115.700 -0.201 0.000 2.602 358 S HA 0.213 4.687 4.470 0.007 0.000 0.240 358 S C 0.374 175.095 174.600 0.202 0.000 0.992 358 S CA -0.649 57.558 58.200 0.011 0.000 0.971 358 S CB -0.553 62.676 63.200 0.048 0.000 0.855 358 S HN 0.029 nan 8.310 nan 0.000 0.481 359 F N 1.857 121.838 119.950 0.052 0.000 2.504 359 F HA 0.379 4.911 4.527 0.007 0.000 0.369 359 F C 1.701 177.545 175.800 0.073 0.000 1.082 359 F CA -0.649 57.398 58.000 0.078 0.000 1.216 359 F CB 0.862 39.919 39.000 0.094 0.000 1.108 359 F HN 0.351 nan 8.300 nan 0.000 0.554 360 G N 1.872 110.834 108.800 0.269 0.000 3.210 360 G HA2 0.140 4.105 3.960 0.007 0.000 0.220 360 G HA3 0.140 4.105 3.960 0.007 0.000 0.220 360 G C -0.051 174.905 174.900 0.093 0.000 1.200 360 G CA 0.151 45.336 45.100 0.140 0.000 0.834 360 G HN 0.565 nan 8.290 nan 0.000 0.524 361 S N -1.975 113.803 115.700 0.130 0.000 2.550 361 S HA 0.456 4.930 4.470 0.007 0.000 0.270 361 S C 0.725 175.363 174.600 0.062 0.000 1.145 361 S CA -0.787 57.467 58.200 0.090 0.000 0.852 361 S CB 1.449 64.728 63.200 0.131 0.000 1.119 361 S HN -0.066 nan 8.310 nan 0.000 0.465 362 M N 1.101 120.699 119.600 -0.003 0.000 2.394 362 M HA 0.039 4.524 4.480 0.007 0.000 0.264 362 M C 1.823 177.949 176.300 -0.291 0.000 1.073 362 M CA 0.826 56.039 55.300 -0.146 0.000 1.111 362 M CB -0.536 31.931 32.600 -0.221 0.000 1.401 362 M HN 0.773 nan 8.290 nan 0.000 0.448 363 L N 0.835 121.977 121.223 -0.135 0.000 2.046 363 L HA -0.170 4.174 4.340 0.007 0.000 0.208 363 L C 1.956 178.756 176.870 -0.117 0.000 1.077 363 L CA 2.038 56.843 54.840 -0.057 0.000 0.747 363 L CB -0.354 41.783 42.059 0.129 0.000 0.896 363 L HN 0.239 nan 8.230 nan 0.000 0.432 364 E N -0.630 119.541 120.200 -0.048 0.000 2.051 364 E HA -0.129 4.226 4.350 0.007 0.000 0.189 364 E C 2.268 179.071 176.600 0.338 0.000 0.979 364 E CA 1.213 57.630 56.400 0.028 0.000 0.803 364 E CB -0.232 29.451 29.700 -0.029 0.000 0.761 364 E HN 0.478 nan 8.360 nan 0.000 0.451 365 L N 0.990 122.367 121.223 0.256 0.000 2.131 365 L HA -0.152 4.193 4.340 0.007 0.000 0.210 365 L C 2.401 179.365 176.870 0.156 0.000 1.092 365 L CA 1.353 56.330 54.840 0.227 0.000 0.759 365 L CB -0.295 41.825 42.059 0.102 0.000 0.903 365 L HN 0.182 nan 8.230 nan 0.000 0.435 366 S N -2.916 112.817 115.700 0.054 0.000 2.540 366 S HA -0.102 4.372 4.470 0.007 0.000 0.218 366 S C 0.571 175.278 174.600 0.178 0.000 0.977 366 S CA -0.700 57.522 58.200 0.037 0.000 0.918 366 S CB -0.207 62.900 63.200 -0.156 0.000 0.806 366 S HN 0.504 nan 8.310 nan 0.000 0.496 367 W N 2.920 124.223 121.300 0.005 0.000 6.357 367 W HA -0.262 4.403 4.660 0.008 0.000 0.428 367 W C 0.083 176.636 176.519 0.056 0.000 1.724 367 W CA 1.107 58.468 57.345 0.027 0.000 1.048 367 W CB -1.596 27.888 29.460 0.039 0.000 2.943 367 W HN 0.671 nan 8.180 nan 0.000 1.407 368 K N 0.230 120.564 120.400 -0.110 0.000 3.069 368 K HA -0.216 4.109 4.320 0.007 0.000 0.267 368 K C 0.901 177.630 176.600 0.214 0.000 1.082 368 K CA 1.750 58.075 56.287 0.062 0.000 0.782 368 K CB -1.490 30.973 32.500 -0.062 0.000 1.230 368 K HN 1.372 nan 8.250 nan 0.000 0.488 369 G N -1.397 107.523 108.800 0.201 0.000 2.143 369 G HA2 -0.350 3.614 3.960 0.007 0.000 0.248 369 G HA3 -0.350 3.614 3.960 0.007 0.000 0.248 369 G C 0.434 175.432 174.900 0.163 0.000 0.991 369 G CA 1.236 46.469 45.100 0.221 0.000 0.689 369 G HN 0.764 nan 8.290 nan 0.000 0.522 370 T N -2.933 111.724 114.554 0.173 0.000 3.040 370 T HA 0.371 4.726 4.350 0.007 0.000 0.252 370 T C 0.888 175.666 174.700 0.130 0.000 1.064 370 T CA 0.939 63.136 62.100 0.163 0.000 1.110 370 T CB 0.486 69.483 68.868 0.216 0.000 0.921 370 T HN 0.432 nan 8.240 nan 0.000 0.480 371 K N 1.584 122.066 120.400 0.136 0.000 2.274 371 K HA 0.730 5.054 4.320 0.007 0.000 0.262 371 K C -0.914 175.723 176.600 0.061 0.000 0.961 371 K CA -0.766 55.576 56.287 0.092 0.000 0.833 371 K CB 2.043 34.605 32.500 0.103 0.000 1.102 371 K HN 0.269 nan 8.250 nan 0.000 0.436 372 A N 4.073 126.919 122.820 0.044 0.000 2.366 372 A HA 0.367 4.691 4.320 0.007 0.000 0.272 372 A C -0.045 177.550 177.584 0.019 0.000 1.135 372 A CA -0.569 51.486 52.037 0.030 0.000 0.804 372 A CB -0.103 18.915 19.000 0.031 0.000 1.064 372 A HN 0.745 nan 8.150 nan 0.000 0.499 373 I N 2.096 122.671 120.570 0.008 0.000 2.352 373 I HA 0.104 4.279 4.170 0.007 0.000 0.290 373 I C -0.122 176.000 176.117 0.008 0.000 1.036 373 I CA -0.240 61.063 61.300 0.004 0.000 1.336 373 I CB 1.173 39.170 38.000 -0.006 0.000 1.407 373 I HN 0.687 nan 8.210 nan 0.000 0.497 374 D N 6.038 126.442 120.400 0.006 0.000 2.336 374 D HA 0.173 4.817 4.640 0.007 0.000 0.249 374 D C 0.695 177.001 176.300 0.009 0.000 1.213 374 D CA -0.377 53.627 54.000 0.008 0.000 0.870 374 D CB 1.175 41.977 40.800 0.004 0.000 1.076 374 D HN 0.357 nan 8.370 nan 0.000 0.483 375 V N 1.999 121.921 119.914 0.014 0.000 3.342 375 V HA 0.571 4.695 4.120 0.007 0.000 0.322 375 V C 0.951 177.055 176.094 0.016 0.000 1.370 375 V CA 0.230 62.540 62.300 0.017 0.000 1.170 375 V CB -0.827 31.010 31.823 0.024 0.000 1.101 375 V HN 0.757 nan 8.190 nan 0.000 0.442 376 G N 0.392 109.200 108.800 0.013 0.000 2.828 376 G HA2 -0.198 3.767 3.960 0.007 0.000 0.463 376 G HA3 -0.198 3.767 3.960 0.007 0.000 0.463 376 G C -0.044 174.864 174.900 0.014 0.000 1.394 376 G CA 0.023 45.130 45.100 0.011 0.000 0.862 376 G HN 1.056 nan 8.290 nan 0.000 0.540 377 Q N -1.503 118.304 119.800 0.012 0.000 2.461 377 Q HA -0.144 4.201 4.340 0.007 0.000 0.273 377 Q C 1.728 177.736 176.000 0.013 0.000 1.163 377 Q CA 2.183 57.994 55.803 0.013 0.000 0.929 377 Q CB -1.632 27.115 28.738 0.015 0.000 1.334 377 Q HN 2.822 nan 8.270 nan 0.000 0.499 378 G N -0.860 107.948 108.800 0.012 0.000 2.175 378 G HA2 -0.355 3.610 3.960 0.007 0.000 0.265 378 G HA3 -0.355 3.610 3.960 0.007 0.000 0.265 378 G C -0.015 174.895 174.900 0.016 0.000 0.979 378 G CA 0.778 45.885 45.100 0.013 0.000 0.663 378 G HN 0.424 nan 8.290 nan 0.000 0.533 379 Q N 0.276 120.087 119.800 0.017 0.000 2.235 379 Q HA 0.638 4.983 4.340 0.007 0.000 0.256 379 Q C 0.275 176.288 176.000 0.022 0.000 0.951 379 Q CA 0.149 55.964 55.803 0.021 0.000 0.890 379 Q CB 1.813 30.565 28.738 0.024 0.000 1.279 379 Q HN 0.515 nan 8.270 nan 0.000 0.444 380 T N -0.745 113.824 114.554 0.025 0.000 2.901 380 T HA 0.764 5.118 4.350 0.007 0.000 0.293 380 T C -0.540 174.179 174.700 0.031 0.000 1.084 380 T CA -1.094 61.021 62.100 0.025 0.000 1.008 380 T CB 2.007 70.890 68.868 0.025 0.000 1.170 380 T HN 0.344 nan 8.240 nan 0.000 0.509 381 R N -0.041 120.475 120.500 0.025 0.000 2.707 381 R HA 0.673 5.017 4.340 0.007 0.000 0.272 381 R C 0.365 176.664 176.300 -0.000 0.000 1.011 381 R CA -0.437 55.680 56.100 0.028 0.000 0.893 381 R CB 1.721 32.037 30.300 0.026 0.000 1.233 381 R HN 1.053 nan 8.270 nan 0.000 0.464 382 T N -2.415 112.140 114.554 0.002 0.000 3.272 382 T HA 0.393 4.748 4.350 0.007 0.000 0.247 382 T C 0.504 174.993 174.700 -0.352 0.000 0.990 382 T CA 0.288 62.326 62.100 -0.103 0.000 1.213 382 T CB 0.113 69.033 68.868 0.086 0.000 1.124 382 T HN 0.269 nan 8.240 nan 0.000 0.401 383 F N 0.726 120.716 119.950 0.066 0.000 2.639 383 F HA 0.667 5.198 4.527 0.007 0.000 0.339 383 F C -0.263 175.585 175.800 0.081 0.000 1.071 383 F CA -1.641 56.405 58.000 0.076 0.000 0.994 383 F CB 1.167 40.207 39.000 0.068 0.000 1.341 383 F HN 0.002 nan 8.300 nan 0.000 0.498 384 L N 2.447 123.853 121.223 0.306 0.000 2.453 384 L HA 0.190 4.535 4.340 0.007 0.000 0.272 384 L C -0.469 176.500 176.870 0.165 0.000 1.182 384 L CA 0.052 55.023 54.840 0.218 0.000 0.858 384 L CB 0.070 42.288 42.059 0.265 0.000 1.120 384 L HN 0.322 nan 8.230 nan 0.000 0.474 385 L N 1.608 122.904 121.223 0.121 0.000 2.334 385 L HA 0.395 4.739 4.340 0.007 0.000 0.270 385 L C -0.266 176.641 176.870 0.063 0.000 1.018 385 L CA -1.150 53.739 54.840 0.081 0.000 0.811 385 L CB 1.391 43.490 42.059 0.068 0.000 1.271 385 L HN 0.491 nan 8.230 nan 0.000 0.443 386 D N 1.207 121.628 120.400 0.035 0.000 2.488 386 D HA 0.250 4.895 4.640 0.007 0.000 0.238 386 D C 1.020 177.334 176.300 0.024 0.000 1.138 386 D CA 1.474 55.484 54.000 0.017 0.000 0.873 386 D CB 1.125 41.926 40.800 0.001 0.000 1.183 386 D HN 0.817 nan 8.370 nan 0.000 0.458 387 G N 2.168 110.980 108.800 0.020 0.000 2.217 387 G HA2 -0.244 3.720 3.960 0.007 0.000 0.246 387 G HA3 -0.244 3.720 3.960 0.007 0.000 0.246 387 G C 0.059 174.986 174.900 0.045 0.000 0.990 387 G CA -0.156 44.959 45.100 0.026 0.000 0.627 387 G HN 0.524 nan 8.290 nan 0.000 0.522 388 D N 1.105 121.544 120.400 0.065 0.000 2.389 388 D HA 0.485 5.129 4.640 0.007 0.000 0.247 388 D C 0.352 176.723 176.300 0.119 0.000 1.128 388 D CA 0.352 54.408 54.000 0.094 0.000 0.884 388 D CB 1.221 42.093 40.800 0.120 0.000 1.194 388 D HN 0.537 nan 8.370 nan 0.000 0.441 389 E N 1.263 121.537 120.200 0.123 0.000 2.187 389 E HA 0.445 4.799 4.350 0.007 0.000 0.268 389 E C -1.469 175.234 176.600 0.172 0.000 0.896 389 E CA -0.795 55.696 56.400 0.152 0.000 0.766 389 E CB 1.275 31.041 29.700 0.109 0.000 1.142 389 E HN 0.073 nan 8.360 nan 0.000 0.408 390 V N 6.172 126.234 119.914 0.246 0.000 2.459 390 V HA 0.451 4.575 4.120 0.007 0.000 0.295 390 V C -0.115 176.058 176.094 0.132 0.000 1.029 390 V CA -0.582 61.819 62.300 0.169 0.000 0.874 390 V CB 1.377 33.279 31.823 0.133 0.000 0.985 390 V HN 0.640 nan 8.190 nan 0.000 0.438 391 I N 5.841 126.458 120.570 0.079 0.000 2.447 391 I HA 0.509 4.683 4.170 0.007 0.000 0.287 391 I C -0.718 175.419 176.117 0.033 0.000 1.023 391 I CA -0.344 60.997 61.300 0.068 0.000 1.083 391 I CB 1.961 40.006 38.000 0.075 0.000 1.245 391 I HN 0.416 nan 8.210 nan 0.000 0.434 392 I N 5.499 126.077 120.570 0.013 0.000 2.412 392 I HA 0.493 4.667 4.170 0.007 0.000 0.296 392 I C 0.105 176.215 176.117 -0.013 0.000 0.987 392 I CA -0.276 61.013 61.300 -0.018 0.000 1.180 392 I CB 2.182 40.144 38.000 -0.062 0.000 1.340 392 I HN 0.598 nan 8.210 nan 0.000 0.455 393 T N 1.402 115.936 114.554 -0.033 0.000 2.896 393 T HA 0.858 5.213 4.350 0.007 0.000 0.297 393 T C -0.492 174.092 174.700 -0.193 0.000 1.108 393 T CA -0.947 61.106 62.100 -0.079 0.000 1.004 393 T CB 2.169 71.043 68.868 0.011 0.000 1.159 393 T HN 0.834 nan 8.240 nan 0.000 0.499 394 G N 0.401 108.961 108.800 -0.400 0.000 2.746 394 G HA2 0.664 4.628 3.960 0.007 0.000 0.297 394 G HA3 0.664 4.628 3.960 0.007 0.000 0.297 394 G C -2.066 172.494 174.900 -0.566 0.000 1.426 394 G CA -0.768 44.093 45.100 -0.398 0.000 0.989 394 G HN 0.947 nan 8.290 nan 0.000 0.520 395 H N -1.136 117.940 119.070 0.010 0.000 2.996 395 H HA 0.572 5.133 4.556 0.008 0.000 0.368 395 H C -1.008 174.224 175.328 -0.159 0.000 1.185 395 H CA -0.575 55.448 56.048 -0.042 0.000 1.160 395 H CB 2.023 31.726 29.762 -0.097 0.000 1.820 395 H HN 0.638 nan 8.280 nan 0.000 0.547 396 C N 1.912 121.081 119.300 -0.220 0.000 2.298 396 C HA 0.347 4.812 4.460 0.007 0.000 0.323 396 C C -0.147 174.455 174.990 -0.646 0.000 1.284 396 C CA -0.536 58.065 59.018 -0.694 0.000 1.577 396 C CB 0.548 27.415 27.740 -1.455 0.000 2.249 396 C HN 0.694 nan 8.230 nan 0.000 0.497 397 Q N 2.077 121.630 119.800 -0.411 0.000 2.349 397 Q HA 0.558 4.902 4.340 0.007 0.000 0.254 397 Q C 0.248 176.206 176.000 -0.070 0.000 0.980 397 Q CA 0.334 56.003 55.803 -0.223 0.000 0.924 397 Q CB 0.803 29.471 28.738 -0.116 0.000 1.209 397 Q HN 0.931 nan 8.270 nan 0.000 0.445 398 G N 2.205 110.841 108.800 -0.273 0.000 2.642 398 G HA2 0.285 4.249 3.960 0.007 0.000 0.291 398 G HA3 0.285 4.249 3.960 0.007 0.000 0.291 398 G C -0.855 173.882 174.900 -0.273 0.000 1.345 398 G CA -0.717 44.177 45.100 -0.344 0.000 1.043 398 G HN 0.633 nan 8.290 nan 0.000 0.528 399 D N 0.327 120.670 120.400 -0.095 0.000 2.422 399 D HA 0.397 5.042 4.640 0.007 0.000 0.227 399 D C 1.154 177.541 176.300 0.146 0.000 1.190 399 D CA 1.139 55.161 54.000 0.037 0.000 0.905 399 D CB 0.643 41.487 40.800 0.073 0.000 1.034 399 D HN 0.849 nan 8.370 nan 0.000 0.507 400 G N 2.358 111.210 108.800 0.088 0.000 2.157 400 G HA2 -0.247 3.717 3.960 0.007 0.000 0.239 400 G HA3 -0.247 3.717 3.960 0.007 0.000 0.239 400 G C -0.051 174.996 174.900 0.246 0.000 0.982 400 G CA 0.509 45.698 45.100 0.147 0.000 0.650 400 G HN 0.609 nan 8.290 nan 0.000 0.527 401 Y N -2.410 117.905 120.300 0.025 0.000 2.713 401 Y HA 0.812 5.367 4.550 0.007 0.000 0.335 401 Y C -0.629 175.285 175.900 0.023 0.000 1.222 401 Y CA -1.878 56.231 58.100 0.015 0.000 1.061 401 Y CB 0.746 39.221 38.460 0.025 0.000 1.314 401 Y HN 0.174 nan 8.280 nan 0.000 0.453 402 R N 0.977 121.500 120.500 0.039 0.000 2.744 402 R HA 0.748 5.093 4.340 0.007 0.000 0.279 402 R C -1.941 174.368 176.300 0.014 0.000 0.977 402 R CA -1.382 54.666 56.100 -0.088 0.000 0.906 402 R CB 2.901 33.146 30.300 -0.091 0.000 1.197 402 R HN 0.557 nan 8.270 nan 0.000 0.463 403 V N 2.066 121.930 119.914 -0.084 0.000 2.313 403 V HA 0.473 4.597 4.120 0.007 0.000 0.278 403 V C 0.271 176.252 176.094 -0.188 0.000 1.017 403 V CA -0.465 61.778 62.300 -0.096 0.000 0.823 403 V CB 1.371 33.166 31.823 -0.048 0.000 1.010 403 V HN 0.951 nan 8.190 nan 0.000 0.443 404 G N 2.270 110.906 108.800 -0.273 0.000 2.471 404 G HA2 0.588 4.552 3.960 0.007 0.000 0.332 404 G HA3 0.588 4.552 3.960 0.007 0.000 0.332 404 G C -0.359 174.290 174.900 -0.419 0.000 1.176 404 G CA -0.307 44.624 45.100 -0.281 0.000 0.949 404 G HN 0.498 nan 8.290 nan 0.000 0.488 405 F N 0.465 120.263 119.950 -0.254 0.000 2.678 405 F HA 0.359 4.890 4.527 0.006 0.000 0.305 405 F C 1.739 177.606 175.800 0.112 0.000 1.090 405 F CA 0.577 58.551 58.000 -0.042 0.000 1.272 405 F CB 0.460 39.410 39.000 -0.085 0.000 1.060 405 F HN 0.940 nan 8.300 nan 0.000 0.576 406 G N 1.227 110.111 108.800 0.141 0.000 2.498 406 G HA2 -0.194 3.770 3.960 0.007 0.000 0.245 406 G HA3 -0.194 3.770 3.960 0.007 0.000 0.245 406 G C -0.488 174.534 174.900 0.203 0.000 1.204 406 G CA -0.086 45.192 45.100 0.296 0.000 0.933 406 G HN 0.451 nan 8.290 nan 0.000 0.574 407 Q N -1.876 118.060 119.800 0.227 0.000 2.456 407 Q HA 0.602 4.947 4.340 0.007 0.000 0.283 407 Q C -0.942 175.138 176.000 0.133 0.000 1.084 407 Q CA -0.660 55.230 55.803 0.145 0.000 0.801 407 Q CB 2.071 30.884 28.738 0.124 0.000 1.434 407 Q HN 1.303 nan 8.270 nan 0.000 0.419 408 C N 1.877 121.230 119.300 0.088 0.000 2.301 408 C HA 0.895 5.360 4.460 0.007 0.000 0.313 408 C C -0.437 174.607 174.990 0.090 0.000 1.121 408 C CA 0.071 59.134 59.018 0.076 0.000 1.507 408 C CB -0.645 27.108 27.740 0.022 0.000 1.975 408 C HN 0.775 nan 8.230 nan 0.000 0.425 409 A N 3.849 126.746 122.820 0.128 0.000 2.354 409 A HA 1.021 5.345 4.320 0.007 0.000 0.321 409 A C -0.103 177.625 177.584 0.240 0.000 1.125 409 A CA -0.080 52.055 52.037 0.163 0.000 0.799 409 A CB 1.508 20.585 19.000 0.128 0.000 1.293 409 A HN 1.593 nan 8.150 nan 0.000 0.452 410 G N 0.366 109.355 108.800 0.315 0.000 2.733 410 G HA2 0.508 4.472 3.960 0.007 0.000 0.297 410 G HA3 0.508 4.472 3.960 0.007 0.000 0.297 410 G C -1.477 173.548 174.900 0.209 0.000 1.452 410 G CA -0.589 44.695 45.100 0.306 0.000 0.940 410 G HN 0.738 nan 8.290 nan 0.000 0.547 411 K N 1.487 121.906 120.400 0.033 0.000 2.221 411 K HA 0.653 4.978 4.320 0.007 0.000 0.258 411 K C -0.380 176.156 176.600 -0.106 0.000 0.944 411 K CA -0.654 55.638 56.287 0.009 0.000 0.823 411 K CB 2.108 34.618 32.500 0.017 0.000 1.113 411 K HN 0.264 nan 8.250 nan 0.000 0.431 412 V N 5.770 125.640 119.914 -0.074 0.000 2.488 412 V HA 0.209 4.333 4.120 0.007 0.000 0.277 412 V C 0.211 176.264 176.094 -0.068 0.000 1.046 412 V CA -0.445 61.789 62.300 -0.111 0.000 0.986 412 V CB 0.706 32.512 31.823 -0.027 0.000 0.989 412 V HN 0.657 nan 8.190 nan 0.000 0.475 413 L N 6.776 127.947 121.223 -0.086 0.000 2.344 413 L HA 0.512 4.856 4.340 0.007 0.000 0.272 413 L C -2.320 174.517 176.870 -0.056 0.000 1.035 413 L CA -1.986 52.819 54.840 -0.058 0.000 0.807 413 L CB 1.908 43.932 42.059 -0.059 0.000 1.237 413 L HN 0.402 nan 8.230 nan 0.000 0.442 414 P HA 0.055 nan 4.420 nan 0.000 0.270 414 P C -0.779 176.488 177.300 -0.056 0.000 1.223 414 P CA -0.261 62.813 63.100 -0.044 0.000 0.785 414 P CB 0.567 32.249 31.700 -0.030 0.000 0.923 415 A N 2.749 125.529 122.820 -0.067 0.000 2.445 415 A HA 0.215 4.539 4.320 0.007 0.000 0.242 415 A C 0.158 177.710 177.584 -0.053 0.000 1.075 415 A CA -0.308 51.683 52.037 -0.077 0.000 0.777 415 A CB -0.596 18.341 19.000 -0.104 0.000 1.013 415 A HN 0.522 nan 8.150 nan 0.000 0.493 416 L N 1.319 122.516 121.223 -0.043 0.000 2.485 416 L HA 0.452 4.796 4.340 0.007 0.000 0.275 416 L C 0.929 177.791 176.870 -0.014 0.000 1.207 416 L CA 1.046 55.873 54.840 -0.022 0.000 0.855 416 L CB 0.219 42.272 42.059 -0.010 0.000 1.114 416 L HN 1.084 nan 8.230 nan 0.000 0.485 417 S N 0.000 115.696 115.700 -0.006 0.000 2.498 417 S HA 0.000 4.474 4.470 0.007 0.000 0.327 417 S CA 0.000 nan 58.200 nan 0.000 1.107 417 S CB 0.000 nan 63.200 nan 0.000 0.593 417 S HN 0.000 nan 8.310 nan 0.000 0.517