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 3k7f_1_A DATA FIRST_RESID 32 DATA SEQUENCE TGRQKARGAA TRARQKQRAS LETMDKAVQR FRLQNPDLDS EALLTLPLLQ DATA SEQUENCE LVQKLQSGEL SPEAVFFTYL GKAWEVNKGT NCVTSYLTDC ETQLSQAPRQ DATA SEQUENCE GLLYGVPVSL KECFSYKGHD STLGLSLNEG MPSESDCVVV QVLKLQGAVP DATA SEQUENCE FVHTNVPQSM FSYDCSNPLF GQTMNPWKSS KSPGGSSGGE GALIGSGGSP DATA SEQUENCE LGLGTDIGGS IRFPSAFCGI CGLKPTGNRL SKSGLKGCVY GQTAVQLSLG DATA SEQUENCE PMARDVESLA LCLKALLCEH LFTLDPTVPP LPFREEVYRS SRPLRVGYYE DATA SEQUENCE TDNYTMPSPA MRRALIETKQ RLEAAGHTLI PFLPNNIPYA LEVLSTGGLF DATA SEQUENCE SDGGRSFLQN FKGDFVDPCL GDLILILRLP SWFKRLLSLL LKPLFPRLAA DATA SEQUENCE FLNNMRPRSA EKLWKLQHEI EMYRQSVIAQ WKAMNLDVLL TPMLGPALDL DATA SEQUENCE NTPGRATGAV SYTMLYNCLD FPAGVVPVTT VTAEDDAQME LYKGYFGDIW DATA SEQUENCE DIILKKAMKN SVGLPVAVQC VALPWQEELC LRFMREVEQL MTP 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 32 T HA 0.000 nan 4.350 nan 0.000 0.228 32 T C 0.000 174.662 174.700 -0.063 0.000 1.109 32 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 32 T CB 0.000 68.858 68.868 -0.016 0.000 0.612 33 G N 4.225 112.982 108.800 -0.071 0.000 2.189 33 G HA2 -0.242 3.718 3.960 0.001 0.000 0.267 33 G HA3 -0.242 3.718 3.960 0.001 0.000 0.267 33 G C 0.762 175.562 174.900 -0.167 0.000 0.975 33 G CA 0.611 45.652 45.100 -0.100 0.000 0.644 33 G HN 0.731 nan 8.290 nan 0.000 0.537 34 R N -0.456 119.939 120.500 -0.176 0.000 2.549 34 R HA 0.246 4.586 4.340 0.001 0.000 0.344 34 R C 1.995 178.223 176.300 -0.120 0.000 0.979 34 R CA 0.361 56.289 56.100 -0.285 0.000 1.140 34 R CB -0.162 29.851 30.300 -0.478 0.000 1.377 34 R HN 0.582 nan 8.270 nan 0.000 0.541 35 Q N 0.852 120.615 119.800 -0.063 0.000 2.050 35 Q HA -0.143 4.197 4.340 0.001 0.000 0.202 35 Q C 1.854 177.844 176.000 -0.016 0.000 0.980 35 Q CA 1.605 57.398 55.803 -0.018 0.000 0.840 35 Q CB 0.015 28.744 28.738 -0.015 0.000 0.898 35 Q HN 0.176 nan 8.270 nan 0.000 0.424 36 K N 0.575 120.952 120.400 -0.038 0.000 2.057 36 K HA -0.159 4.161 4.320 0.001 0.000 0.207 36 K C 2.054 178.641 176.600 -0.023 0.000 1.049 36 K CA 1.220 57.488 56.287 -0.031 0.000 0.931 36 K CB -0.148 32.327 32.500 -0.042 0.000 0.714 36 K HN 0.167 nan 8.250 nan 0.000 0.440 37 A N 1.274 124.064 122.820 -0.049 0.000 1.933 37 A HA -0.129 4.191 4.320 0.001 0.000 0.218 37 A C 2.093 179.758 177.584 0.136 0.000 1.175 37 A CA 1.280 53.319 52.037 0.003 0.000 0.628 37 A CB -0.425 18.496 19.000 -0.132 0.000 0.814 37 A HN 0.313 nan 8.150 nan 0.000 0.444 38 R N -1.005 119.591 120.500 0.161 0.000 2.092 38 R HA -0.099 4.241 4.340 0.001 0.000 0.231 38 R C 2.390 178.732 176.300 0.069 0.000 1.119 38 R CA 1.122 57.328 56.100 0.176 0.000 0.970 38 R CB -0.536 29.862 30.300 0.163 0.000 0.864 38 R HN 0.542 nan 8.270 nan 0.000 0.440 39 G N 0.419 109.243 108.800 0.039 0.000 2.402 39 G HA2 -0.239 3.721 3.960 0.001 0.000 0.216 39 G HA3 -0.239 3.721 3.960 0.001 0.000 0.216 39 G C 1.524 176.425 174.900 0.002 0.000 1.162 39 G CA 0.727 45.836 45.100 0.016 0.000 0.777 39 G HN 0.399 nan 8.290 nan 0.000 0.539 40 A N 1.286 124.105 122.820 -0.001 0.000 1.908 40 A HA 0.193 4.513 4.320 0.001 0.000 0.218 40 A C 2.817 180.365 177.584 -0.060 0.000 1.181 40 A CA 2.431 54.453 52.037 -0.025 0.000 0.627 40 A CB -0.833 18.149 19.000 -0.029 0.000 0.818 40 A HN 0.786 nan 8.150 nan 0.000 0.445 41 A N -1.165 121.626 122.820 -0.048 0.000 1.898 41 A HA -0.061 4.260 4.320 0.001 0.000 0.216 41 A C 2.303 179.832 177.584 -0.091 0.000 1.181 41 A CA 2.247 54.220 52.037 -0.107 0.000 0.620 41 A CB -1.303 17.654 19.000 -0.072 0.000 0.819 41 A HN 0.435 nan 8.150 nan 0.000 0.442 42 T N -0.091 114.439 114.554 -0.039 0.000 2.684 42 T HA -0.178 4.172 4.350 0.001 0.000 0.267 42 T C 2.055 176.746 174.700 -0.015 0.000 1.036 42 T CA 1.777 63.864 62.100 -0.021 0.000 1.148 42 T CB -0.254 68.612 68.868 -0.003 0.000 0.863 42 T HN 0.532 nan 8.240 nan 0.000 0.436 43 R N 0.783 121.274 120.500 -0.015 0.000 2.090 43 R HA 0.140 4.480 4.340 0.001 0.000 0.228 43 R C 2.839 179.145 176.300 0.010 0.000 1.110 43 R CA 1.061 57.164 56.100 0.004 0.000 0.973 43 R CB -0.402 29.902 30.300 0.007 0.000 0.869 43 R HN 0.354 nan 8.270 nan 0.000 0.440 44 A N 1.349 124.137 122.820 -0.052 0.000 1.902 44 A HA -0.168 4.152 4.320 0.001 0.000 0.217 44 A C 2.081 179.685 177.584 0.033 0.000 1.181 44 A CA 1.214 53.201 52.037 -0.083 0.000 0.623 44 A CB -0.299 18.404 19.000 -0.495 0.000 0.818 44 A HN 0.195 nan 8.150 nan 0.000 0.443 45 R N -1.214 119.270 120.500 -0.027 0.000 2.092 45 R HA -0.125 4.215 4.340 0.001 0.000 0.231 45 R C 2.433 178.793 176.300 0.100 0.000 1.119 45 R CA 1.460 57.596 56.100 0.061 0.000 0.970 45 R CB -0.217 30.089 30.300 0.010 0.000 0.864 45 R HN 0.582 nan 8.270 nan 0.000 0.440 46 Q N 1.252 121.095 119.800 0.072 0.000 2.167 46 Q HA -0.107 4.233 4.340 0.001 0.000 0.202 46 Q C 1.647 177.710 176.000 0.105 0.000 0.970 46 Q CA 1.641 57.490 55.803 0.076 0.000 0.855 46 Q CB 0.069 28.838 28.738 0.053 0.000 0.911 46 Q HN 0.120 nan 8.270 nan 0.000 0.438 47 K N -0.349 120.128 120.400 0.128 0.000 2.025 47 K HA -0.200 4.120 4.320 0.001 0.000 0.207 47 K C 2.130 178.841 176.600 0.185 0.000 1.049 47 K CA 1.475 57.853 56.287 0.153 0.000 0.933 47 K CB -0.102 32.502 32.500 0.173 0.000 0.714 47 K HN 0.367 nan 8.250 nan 0.000 0.438 48 Q N 0.846 120.794 119.800 0.247 0.000 2.030 48 Q HA -0.262 4.078 4.340 0.001 0.000 0.204 48 Q C 2.194 178.286 176.000 0.153 0.000 0.986 48 Q CA 1.846 57.775 55.803 0.210 0.000 0.843 48 Q CB -0.142 28.776 28.738 0.300 0.000 0.904 48 Q HN 0.220 nan 8.270 nan 0.000 0.420 49 R N -0.325 120.259 120.500 0.140 0.000 2.091 49 R HA -0.153 4.188 4.340 0.001 0.000 0.238 49 R C 2.051 178.428 176.300 0.127 0.000 1.136 49 R CA 1.417 57.587 56.100 0.117 0.000 0.959 49 R CB -0.381 29.976 30.300 0.095 0.000 0.856 49 R HN 0.330 nan 8.270 nan 0.000 0.437 50 A N 0.001 122.896 122.820 0.125 0.000 1.968 50 A HA -0.054 4.267 4.320 0.001 0.000 0.217 50 A C 2.203 179.876 177.584 0.149 0.000 1.169 50 A CA 1.468 53.578 52.037 0.122 0.000 0.638 50 A CB -0.426 18.638 19.000 0.107 0.000 0.812 50 A HN 0.423 nan 8.150 nan 0.000 0.446 51 S N -0.077 115.725 115.700 0.170 0.000 2.353 51 S HA -0.131 4.340 4.470 0.001 0.000 0.222 51 S C 1.837 176.545 174.600 0.181 0.000 1.035 51 S CA 1.631 59.960 58.200 0.215 0.000 1.025 51 S CB -0.460 62.871 63.200 0.219 0.000 0.902 51 S HN 0.537 nan 8.310 nan 0.000 0.440 52 L N 0.915 122.247 121.223 0.183 0.000 2.083 52 L HA -0.109 4.232 4.340 0.001 0.000 0.209 52 L C 2.594 179.643 176.870 0.298 0.000 1.083 52 L CA 1.325 56.330 54.840 0.275 0.000 0.752 52 L CB -0.520 41.686 42.059 0.245 0.000 0.899 52 L HN 0.273 nan 8.230 nan 0.000 0.433 53 E N 0.202 120.524 120.200 0.202 0.000 2.077 53 E HA -0.175 4.175 4.350 0.001 0.000 0.193 53 E C 2.034 178.656 176.600 0.037 0.000 0.989 53 E CA 1.896 58.374 56.400 0.130 0.000 0.800 53 E CB -0.107 29.659 29.700 0.110 0.000 0.746 53 E HN 0.282 nan 8.360 nan 0.000 0.452 54 T N 0.473 115.066 114.554 0.064 0.000 2.708 54 T HA -0.169 4.182 4.350 0.001 0.000 0.266 54 T C 1.866 176.518 174.700 -0.080 0.000 1.037 54 T CA 1.774 63.906 62.100 0.055 0.000 1.146 54 T CB -0.254 68.729 68.868 0.191 0.000 0.865 54 T HN 0.191 nan 8.240 nan 0.000 0.435 55 M N 1.011 120.474 119.600 -0.228 0.000 2.080 55 M HA -0.137 4.343 4.480 0.001 0.000 0.260 55 M C 2.281 178.369 176.300 -0.353 0.000 1.068 55 M CA 1.701 56.752 55.300 -0.414 0.000 1.109 55 M CB -0.424 31.976 32.600 -0.334 0.000 1.342 55 M HN 0.124 nan 8.290 nan 0.000 0.405 56 D N 0.333 120.445 120.400 -0.480 0.000 2.097 56 D HA -0.149 4.491 4.640 0.001 0.000 0.195 56 D C 1.817 177.879 176.300 -0.398 0.000 0.989 56 D CA 1.484 55.022 54.000 -0.769 0.000 0.827 56 D CB 0.093 40.344 40.800 -0.914 0.000 0.966 56 D HN -0.013 nan 8.370 nan 0.000 0.456 57 K N 0.325 120.591 120.400 -0.224 0.000 2.044 57 K HA -0.026 4.295 4.320 0.001 0.000 0.210 57 K C 2.019 178.556 176.600 -0.104 0.000 1.049 57 K CA 1.513 57.724 56.287 -0.127 0.000 0.927 57 K CB -0.801 31.668 32.500 -0.051 0.000 0.713 57 K HN 0.189 nan 8.250 nan 0.000 0.443 58 A N 0.051 122.835 122.820 -0.061 0.000 1.902 58 A HA -0.125 4.195 4.320 0.001 0.000 0.217 58 A C 2.359 179.893 177.584 -0.083 0.000 1.181 58 A CA 1.757 53.797 52.037 0.005 0.000 0.623 58 A CB -0.735 18.409 19.000 0.241 0.000 0.818 58 A HN 0.081 nan 8.150 nan 0.000 0.443 59 V N 0.116 119.987 119.914 -0.071 0.000 2.343 59 V HA -0.259 3.861 4.120 0.001 0.000 0.247 59 V C 2.760 178.809 176.094 -0.075 0.000 1.051 59 V CA 2.050 64.318 62.300 -0.054 0.000 1.036 59 V CB -0.729 31.007 31.823 -0.145 0.000 0.654 59 V HN 0.547 nan 8.190 nan 0.000 0.451 60 Q N -0.117 119.595 119.800 -0.147 0.000 2.079 60 Q HA -0.192 4.148 4.340 0.001 0.000 0.200 60 Q C 2.331 178.263 176.000 -0.113 0.000 0.974 60 Q CA 1.709 57.433 55.803 -0.131 0.000 0.840 60 Q CB -0.560 28.088 28.738 -0.150 0.000 0.898 60 Q HN 0.627 nan 8.270 nan 0.000 0.430 61 R N -0.096 120.332 120.500 -0.120 0.000 2.096 61 R HA -0.177 4.164 4.340 0.001 0.000 0.240 61 R C 2.186 178.388 176.300 -0.164 0.000 1.139 61 R CA 1.493 57.515 56.100 -0.129 0.000 0.952 61 R CB -0.445 29.783 30.300 -0.120 0.000 0.854 61 R HN 0.224 nan 8.270 nan 0.000 0.436 62 F N 1.287 121.027 119.950 -0.350 0.000 2.134 62 F HA -0.100 4.426 4.527 -0.001 0.000 0.299 62 F C 2.166 177.849 175.800 -0.195 0.000 1.097 62 F CA 1.542 59.317 58.000 -0.376 0.000 1.264 62 F CB -0.057 38.570 39.000 -0.621 0.000 1.001 62 F HN -0.053 nan 8.300 nan 0.000 0.479 63 R N 0.160 120.580 120.500 -0.134 0.000 2.115 63 R HA -0.116 4.224 4.340 0.001 0.000 0.230 63 R C 2.348 178.510 176.300 -0.229 0.000 1.111 63 R CA 1.427 57.426 56.100 -0.167 0.000 0.976 63 R CB -0.621 29.656 30.300 -0.038 0.000 0.870 63 R HN 0.381 nan 8.270 nan 0.000 0.445 64 L N 0.761 121.866 121.223 -0.196 0.000 2.042 64 L HA -0.215 4.126 4.340 0.001 0.000 0.210 64 L C 2.223 178.970 176.870 -0.205 0.000 1.076 64 L CA 1.334 56.074 54.840 -0.166 0.000 0.749 64 L CB -0.293 41.687 42.059 -0.132 0.000 0.893 64 L HN 0.261 nan 8.230 nan 0.000 0.432 65 Q N -0.490 119.139 119.800 -0.284 0.000 2.378 65 Q HA 0.015 4.355 4.340 0.001 0.000 0.205 65 Q C 0.295 176.089 176.000 -0.342 0.000 0.954 65 Q CA 0.689 56.321 55.803 -0.285 0.000 0.901 65 Q CB 0.059 28.626 28.738 -0.285 0.000 0.981 65 Q HN 0.549 nan 8.270 nan 0.000 0.483 66 N N 0.576 119.001 118.700 -0.457 0.000 2.672 66 N HA 0.129 4.870 4.740 0.001 0.000 0.295 66 N C -2.156 173.204 175.510 -0.251 0.000 1.924 66 N CA -0.803 51.994 53.050 -0.421 0.000 0.851 66 N CB 1.403 39.418 38.487 -0.786 0.000 1.281 66 N HN 0.050 nan 8.380 nan 0.000 0.494 67 P HA -0.111 nan 4.420 nan 0.000 0.223 67 P C 0.505 177.762 177.300 -0.071 0.000 1.151 67 P CA 1.162 64.199 63.100 -0.105 0.000 0.787 67 P CB 0.295 31.941 31.700 -0.089 0.000 0.788 68 D N -0.084 120.274 120.400 -0.070 0.000 2.123 68 D HA -0.082 4.558 4.640 0.001 0.000 0.200 68 D C 1.013 177.300 176.300 -0.022 0.000 0.976 68 D CA -0.149 53.825 54.000 -0.042 0.000 0.831 68 D CB -1.188 39.588 40.800 -0.040 0.000 0.974 68 D HN 0.011 nan 8.370 nan 0.000 0.469 69 L N 1.780 122.994 121.223 -0.016 0.000 2.653 69 L HA -0.005 4.335 4.340 0.001 0.000 0.288 69 L C -0.313 176.570 176.870 0.022 0.000 1.243 69 L CA 0.377 55.233 54.840 0.026 0.000 0.906 69 L CB 0.144 42.255 42.059 0.087 0.000 1.154 69 L HN 0.004 nan 8.230 nan 0.000 0.498 70 D N 2.557 122.968 120.400 0.018 0.000 2.470 70 D HA 0.058 4.698 4.640 0.001 0.000 0.226 70 D C 1.249 177.548 176.300 -0.002 0.000 1.196 70 D CA 0.696 54.699 54.000 0.005 0.000 0.979 70 D CB 0.589 41.390 40.800 0.002 0.000 1.059 70 D HN 0.736 nan 8.370 nan 0.000 0.515 71 S N 2.860 118.556 115.700 -0.006 0.000 2.402 71 S HA -0.144 4.327 4.470 0.001 0.000 0.229 71 S C 1.421 175.979 174.600 -0.070 0.000 1.021 71 S CA 0.545 58.726 58.200 -0.031 0.000 0.974 71 S CB 0.015 63.202 63.200 -0.022 0.000 0.800 71 S HN 0.316 nan 8.310 nan 0.000 0.484 72 E N 2.101 122.269 120.200 -0.052 0.000 2.107 72 E HA 0.118 4.469 4.350 0.001 0.000 0.191 72 E C 2.446 179.015 176.600 -0.052 0.000 0.982 72 E CA 1.144 57.508 56.400 -0.060 0.000 0.809 72 E CB -0.971 28.704 29.700 -0.042 0.000 0.756 72 E HN 0.670 nan 8.360 nan 0.000 0.459 73 A N 1.602 124.402 122.820 -0.033 0.000 1.902 73 A HA -0.141 4.179 4.320 0.001 0.000 0.217 73 A C 2.311 179.879 177.584 -0.026 0.000 1.181 73 A CA 1.310 53.334 52.037 -0.021 0.000 0.623 73 A CB -0.768 18.227 19.000 -0.008 0.000 0.818 73 A HN 0.277 nan 8.150 nan 0.000 0.443 74 L N -0.620 120.579 121.223 -0.040 0.000 2.027 74 L HA -0.113 4.227 4.340 0.001 0.000 0.206 74 L C 2.350 179.167 176.870 -0.089 0.000 1.074 74 L CA 1.363 56.176 54.840 -0.045 0.000 0.745 74 L CB -0.219 41.810 42.059 -0.050 0.000 0.898 74 L HN 0.412 nan 8.230 nan 0.000 0.433 75 L N -0.504 120.608 121.223 -0.186 0.000 2.201 75 L HA -0.161 4.179 4.340 0.001 0.000 0.212 75 L C 2.432 179.252 176.870 -0.084 0.000 1.105 75 L CA 1.619 56.288 54.840 -0.284 0.000 0.775 75 L CB -0.716 41.144 42.059 -0.331 0.000 0.913 75 L HN 0.488 nan 8.230 nan 0.000 0.440 76 T N -3.250 111.279 114.554 -0.042 0.000 3.081 76 T HA 0.148 4.499 4.350 0.001 0.000 0.250 76 T C 0.756 175.472 174.700 0.025 0.000 1.100 76 T CA -0.279 61.819 62.100 -0.002 0.000 1.038 76 T CB -0.272 68.591 68.868 -0.010 0.000 0.962 76 T HN 0.035 nan 8.240 nan 0.000 0.516 77 L N 2.898 124.140 121.223 0.032 0.000 2.559 77 L HA 0.247 4.587 4.340 0.001 0.000 0.274 77 L C -2.070 174.837 176.870 0.062 0.000 1.205 77 L CA -1.808 53.059 54.840 0.045 0.000 0.907 77 L CB -0.043 42.044 42.059 0.048 0.000 1.153 77 L HN 0.074 nan 8.230 nan 0.000 0.490 78 P HA -0.071 nan 4.420 nan 0.000 0.267 78 P C 0.544 177.870 177.300 0.044 0.000 1.200 78 P CA -0.387 62.742 63.100 0.048 0.000 0.772 78 P CB 0.634 32.359 31.700 0.040 0.000 0.855 79 L N 3.649 124.892 121.223 0.033 0.000 2.043 79 L HA -0.194 4.146 4.340 0.001 0.000 0.212 79 L C 1.796 178.672 176.870 0.010 0.000 1.075 79 L CA 1.997 56.844 54.840 0.011 0.000 0.752 79 L CB -1.083 40.965 42.059 -0.017 0.000 0.891 79 L HN 0.323 nan 8.230 nan 0.000 0.432 80 L N -1.021 120.212 121.223 0.016 0.000 2.131 80 L HA -0.215 4.125 4.340 0.001 0.000 0.210 80 L C 2.595 179.480 176.870 0.026 0.000 1.092 80 L CA 1.592 56.443 54.840 0.018 0.000 0.759 80 L CB -1.106 40.969 42.059 0.027 0.000 0.903 80 L HN 0.434 nan 8.230 nan 0.000 0.435 81 Q N -0.807 119.011 119.800 0.031 0.000 2.083 81 Q HA -0.143 4.198 4.340 0.001 0.000 0.198 81 Q C 2.046 178.068 176.000 0.036 0.000 0.969 81 Q CA 0.819 56.642 55.803 0.033 0.000 0.838 81 Q CB -0.399 28.360 28.738 0.034 0.000 0.900 81 Q HN 0.250 nan 8.270 nan 0.000 0.436 82 L N -0.297 120.949 121.223 0.039 0.000 2.013 82 L HA -0.198 4.142 4.340 0.001 0.000 0.212 82 L C 1.941 178.832 176.870 0.034 0.000 1.073 82 L CA 1.608 56.474 54.840 0.043 0.000 0.753 82 L CB -0.660 41.431 42.059 0.053 0.000 0.890 82 L HN 0.090 nan 8.230 nan 0.000 0.432 83 V N -0.514 119.414 119.914 0.024 0.000 2.343 83 V HA -0.293 3.827 4.120 0.001 0.000 0.247 83 V C 2.625 178.750 176.094 0.051 0.000 1.051 83 V CA 1.956 64.274 62.300 0.030 0.000 1.036 83 V CB -0.703 31.130 31.823 0.015 0.000 0.654 83 V HN 0.615 nan 8.190 nan 0.000 0.451 84 Q N 0.366 120.191 119.800 0.042 0.000 2.124 84 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 84 Q C 2.230 178.260 176.000 0.051 0.000 0.977 84 Q CA 1.765 57.594 55.803 0.043 0.000 0.850 84 Q CB -0.099 28.660 28.738 0.035 0.000 0.901 84 Q HN 0.606 nan 8.270 nan 0.000 0.429 85 K N -0.223 120.208 120.400 0.051 0.000 2.296 85 K HA 0.015 4.335 4.320 0.001 0.000 0.200 85 K C 2.236 178.882 176.600 0.076 0.000 1.048 85 K CA 0.314 56.633 56.287 0.055 0.000 0.966 85 K CB 0.161 32.689 32.500 0.047 0.000 0.754 85 K HN 0.185 nan 8.250 nan 0.000 0.466 86 L N 0.598 121.875 121.223 0.090 0.000 2.072 86 L HA -0.157 4.183 4.340 0.001 0.000 0.205 86 L C 2.606 179.620 176.870 0.241 0.000 1.079 86 L CA 0.940 55.867 54.840 0.145 0.000 0.752 86 L CB -0.165 41.948 42.059 0.091 0.000 0.906 86 L HN 0.102 nan 8.230 nan 0.000 0.436 87 Q N 0.050 119.954 119.800 0.173 0.000 2.170 87 Q HA -0.183 4.157 4.340 0.001 0.000 0.203 87 Q C 2.277 178.305 176.000 0.047 0.000 0.976 87 Q CA 2.040 57.903 55.803 0.101 0.000 0.858 87 Q CB -0.123 28.651 28.738 0.060 0.000 0.907 87 Q HN 0.485 nan 8.270 nan 0.000 0.433 88 S N -2.288 113.446 115.700 0.056 0.000 2.528 88 S HA 0.252 4.722 4.470 0.001 0.000 0.219 88 S C 1.432 176.058 174.600 0.043 0.000 0.985 88 S CA 0.620 58.842 58.200 0.036 0.000 0.914 88 S CB 0.286 63.506 63.200 0.033 0.000 0.776 88 S HN 0.657 nan 8.310 nan 0.000 0.526 89 G N 1.301 110.143 108.800 0.070 0.000 2.175 89 G HA2 -0.320 3.640 3.960 0.001 0.000 0.244 89 G HA3 -0.320 3.640 3.960 0.001 0.000 0.244 89 G C 0.578 175.517 174.900 0.066 0.000 0.982 89 G CA 0.510 45.655 45.100 0.075 0.000 0.641 89 G HN 0.579 nan 8.290 nan 0.000 0.527 90 E N -0.468 119.766 120.200 0.057 0.000 2.153 90 E HA 0.095 4.445 4.350 0.001 0.000 0.194 90 E C 0.856 177.490 176.600 0.056 0.000 0.988 90 E CA 0.579 57.009 56.400 0.049 0.000 0.811 90 E CB -0.036 29.689 29.700 0.042 0.000 0.746 90 E HN 0.566 nan 8.360 nan 0.000 0.466 91 L N 0.987 122.249 121.223 0.065 0.000 2.365 91 L HA 0.262 4.602 4.340 0.001 0.000 0.273 91 L C -0.201 176.715 176.870 0.077 0.000 1.000 91 L CA -0.938 53.943 54.840 0.068 0.000 0.819 91 L CB 1.982 44.075 42.059 0.057 0.000 1.284 91 L HN 0.007 nan 8.230 nan 0.000 0.418 92 S N 1.595 117.346 115.700 0.084 0.000 2.601 92 S HA 0.385 4.855 4.470 0.001 0.000 0.271 92 S C -2.072 172.549 174.600 0.036 0.000 1.305 92 S CA -1.147 57.104 58.200 0.085 0.000 1.022 92 S CB 1.418 64.687 63.200 0.114 0.000 0.940 92 S HN 0.393 nan 8.310 nan 0.000 0.525 93 P HA -0.047 nan 4.420 nan 0.000 0.218 93 P C 0.903 178.158 177.300 -0.075 0.000 1.149 93 P CA 1.091 64.111 63.100 -0.133 0.000 0.817 93 P CB 0.031 31.579 31.700 -0.253 0.000 0.785 94 E N -0.093 120.115 120.200 0.012 0.000 2.072 94 E HA -0.120 4.231 4.350 0.001 0.000 0.191 94 E C 2.180 178.784 176.600 0.007 0.000 0.985 94 E CA 1.516 57.969 56.400 0.088 0.000 0.801 94 E CB -1.255 28.619 29.700 0.289 0.000 0.750 94 E HN 0.132 nan 8.360 nan 0.000 0.452 95 A N 0.581 123.451 122.820 0.083 0.000 1.877 95 A HA -0.177 4.144 4.320 0.001 0.000 0.216 95 A C 2.500 180.041 177.584 -0.071 0.000 1.186 95 A CA 1.629 53.709 52.037 0.073 0.000 0.620 95 A CB -0.860 18.266 19.000 0.209 0.000 0.822 95 A HN 0.150 nan 8.150 nan 0.000 0.443 96 V N -1.239 118.657 119.914 -0.031 0.000 2.295 96 V HA -0.244 3.876 4.120 0.001 0.000 0.246 96 V C 2.270 178.313 176.094 -0.085 0.000 1.049 96 V CA 2.136 64.424 62.300 -0.019 0.000 1.024 96 V CB -0.991 30.832 31.823 0.000 0.000 0.648 96 V HN 0.626 nan 8.190 nan 0.000 0.447 97 F N 0.484 120.228 119.950 -0.343 0.000 2.046 97 F HA -0.229 4.299 4.527 0.002 0.000 0.297 97 F C 2.082 177.511 175.800 -0.618 0.000 1.123 97 F CA 2.038 59.709 58.000 -0.548 0.000 1.199 97 F CB -0.345 38.228 39.000 -0.711 0.000 0.972 97 F HN 0.132 nan 8.300 nan 0.000 0.474 98 F N 0.273 119.947 119.950 -0.459 0.000 2.293 98 F HA -0.118 4.409 4.527 -0.001 0.000 0.300 98 F C 2.492 178.007 175.800 -0.476 0.000 1.086 98 F CA 1.532 59.167 58.000 -0.608 0.000 1.375 98 F CB -1.431 36.997 39.000 -0.953 0.000 1.045 98 F HN -0.088 nan 8.300 nan 0.000 0.516 99 T N -1.190 113.203 114.554 -0.268 0.000 2.737 99 T HA -0.213 4.137 4.350 0.001 0.000 0.265 99 T C 1.705 176.236 174.700 -0.282 0.000 1.038 99 T CA 1.452 63.434 62.100 -0.196 0.000 1.144 99 T CB -0.584 68.180 68.868 -0.173 0.000 0.866 99 T HN 0.151 nan 8.240 nan 0.000 0.434 100 Y N 0.742 120.848 120.300 -0.323 0.000 2.242 100 Y HA 0.019 4.569 4.550 -0.000 0.000 0.291 100 Y C 2.150 177.823 175.900 -0.379 0.000 1.137 100 Y CA 0.361 58.248 58.100 -0.356 0.000 1.181 100 Y CB -0.508 37.651 38.460 -0.502 0.000 0.989 100 Y HN 0.079 nan 8.280 nan 0.000 0.527 101 L N -0.345 120.620 121.223 -0.430 0.000 2.042 101 L HA -0.129 4.211 4.340 0.001 0.000 0.210 101 L C 2.429 179.257 176.870 -0.069 0.000 1.076 101 L CA 2.195 56.838 54.840 -0.329 0.000 0.749 101 L CB -1.140 40.594 42.059 -0.543 0.000 0.893 101 L HN 0.213 nan 8.230 nan 0.000 0.432 102 G N -1.278 107.477 108.800 -0.075 0.000 2.402 102 G HA2 -0.309 3.652 3.960 0.001 0.000 0.216 102 G HA3 -0.309 3.652 3.960 0.001 0.000 0.216 102 G C 1.678 176.635 174.900 0.094 0.000 1.162 102 G CA 0.853 45.959 45.100 0.011 0.000 0.777 102 G HN 0.314 nan 8.290 nan 0.000 0.539 103 K N 1.195 121.604 120.400 0.015 0.000 2.057 103 K HA 0.141 4.461 4.320 0.001 0.000 0.207 103 K C 2.677 179.339 176.600 0.103 0.000 1.049 103 K CA 1.543 57.846 56.287 0.027 0.000 0.931 103 K CB -0.701 31.753 32.500 -0.076 0.000 0.714 103 K HN 0.157 nan 8.250 nan 0.000 0.440 104 A N -0.302 122.612 122.820 0.156 0.000 1.908 104 A HA -0.176 4.145 4.320 0.001 0.000 0.218 104 A C 2.182 179.860 177.584 0.156 0.000 1.181 104 A CA 1.665 53.814 52.037 0.186 0.000 0.627 104 A CB -1.208 17.984 19.000 0.319 0.000 0.818 104 A HN 0.679 nan 8.150 nan 0.000 0.445 105 W N 0.792 122.088 121.300 -0.006 0.000 2.358 105 W HA -0.147 4.513 4.660 0.001 0.000 0.303 105 W C 2.017 178.524 176.519 -0.020 0.000 1.208 105 W CA 1.943 59.272 57.345 -0.026 0.000 1.274 105 W CB -0.081 29.351 29.460 -0.047 0.000 1.138 105 W HN 0.483 nan 8.180 nan 0.000 0.515 106 E N -0.242 120.088 120.200 0.217 0.000 2.047 106 E HA -0.249 4.102 4.350 0.001 0.000 0.191 106 E C 2.227 178.771 176.600 -0.094 0.000 0.987 106 E CA 2.346 58.774 56.400 0.046 0.000 0.799 106 E CB -0.673 29.110 29.700 0.138 0.000 0.752 106 E HN 0.300 nan 8.360 nan 0.000 0.449 107 V N 0.036 119.925 119.914 -0.041 0.000 2.667 107 V HA -0.157 3.963 4.120 0.001 0.000 0.252 107 V C 1.862 177.899 176.094 -0.094 0.000 1.065 107 V CA 1.955 64.220 62.300 -0.059 0.000 1.083 107 V CB -0.638 31.172 31.823 -0.023 0.000 0.692 107 V HN 0.139 nan 8.190 nan 0.000 0.468 108 N N 1.113 119.737 118.700 -0.126 0.000 2.272 108 N HA -0.184 4.557 4.740 0.001 0.000 0.185 108 N C 1.749 177.134 175.510 -0.209 0.000 1.014 108 N CA 1.675 54.629 53.050 -0.159 0.000 0.870 108 N CB -0.389 37.985 38.487 -0.188 0.000 0.975 108 N HN 0.582 nan 8.380 nan 0.000 0.433 109 K N -1.072 119.154 120.400 -0.290 0.000 2.074 109 K HA -0.081 4.239 4.320 0.001 0.000 0.209 109 K C 1.688 178.191 176.600 -0.161 0.000 1.048 109 K CA 1.446 57.566 56.287 -0.279 0.000 0.926 109 K CB -0.336 31.970 32.500 -0.324 0.000 0.713 109 K HN 0.329 nan 8.250 nan 0.000 0.444 110 G N 0.004 108.731 108.800 -0.122 0.000 3.088 110 G HA2 -0.073 3.887 3.960 0.001 0.000 0.217 110 G HA3 -0.073 3.887 3.960 0.001 0.000 0.217 110 G C 1.202 176.071 174.900 -0.052 0.000 1.159 110 G CA 0.677 45.731 45.100 -0.077 0.000 0.760 110 G HN 0.396 nan 8.290 nan 0.000 0.550 111 T N -3.341 111.179 114.554 -0.056 0.000 2.964 111 T HA 0.119 4.469 4.350 0.001 0.000 0.250 111 T C 0.953 175.639 174.700 -0.023 0.000 0.982 111 T CA 0.463 62.548 62.100 -0.025 0.000 0.959 111 T CB -0.054 68.807 68.868 -0.013 0.000 1.141 111 T HN 0.158 nan 8.240 nan 0.000 0.494 112 N N 0.837 119.508 118.700 -0.047 0.000 2.714 112 N HA -0.201 4.540 4.740 0.001 0.000 0.253 112 N C 0.712 176.208 175.510 -0.022 0.000 1.024 112 N CA 0.676 53.706 53.050 -0.034 0.000 0.726 112 N CB -1.844 36.638 38.487 -0.008 0.000 0.908 112 N HN 0.816 nan 8.380 nan 0.000 0.542 113 C N -3.159 116.118 119.300 -0.037 0.000 2.735 113 C HA 0.487 4.947 4.460 0.001 0.000 0.271 113 C C 0.973 175.920 174.990 -0.072 0.000 1.281 113 C CA -0.428 58.569 59.018 -0.035 0.000 1.719 113 C CB -0.765 26.963 27.740 -0.020 0.000 2.024 113 C HN 0.237 nan 8.230 nan 0.000 0.566 114 V N 2.963 122.824 119.914 -0.089 0.000 2.394 114 V HA 0.385 4.505 4.120 0.001 0.000 0.282 114 V C 1.450 177.439 176.094 -0.175 0.000 1.031 114 V CA 0.907 63.137 62.300 -0.117 0.000 0.881 114 V CB 1.384 33.159 31.823 -0.080 0.000 0.982 114 V HN 0.643 nan 8.190 nan 0.000 0.451 115 T N 0.060 114.446 114.554 -0.280 0.000 3.023 115 T HA 0.191 4.541 4.350 0.001 0.000 0.249 115 T C 0.683 175.207 174.700 -0.294 0.000 1.050 115 T CA 0.460 62.214 62.100 -0.576 0.000 1.088 115 T CB 0.450 68.627 68.868 -1.152 0.000 0.946 115 T HN 0.586 nan 8.240 nan 0.000 0.480 116 S N -0.404 115.234 115.700 -0.104 0.000 2.535 116 S HA 0.465 4.935 4.470 0.001 0.000 0.272 116 S C -2.077 172.560 174.600 0.062 0.000 1.149 116 S CA -1.002 57.229 58.200 0.052 0.000 0.888 116 S CB 1.291 64.585 63.200 0.157 0.000 1.110 116 S HN 0.441 nan 8.310 nan 0.000 0.463 117 Y N 5.185 125.486 120.300 0.002 0.000 2.350 117 Y HA 0.554 5.104 4.550 -0.000 0.000 0.340 117 Y C -0.353 175.511 175.900 -0.060 0.000 1.006 117 Y CA -0.911 57.173 58.100 -0.027 0.000 1.166 117 Y CB 0.610 39.116 38.460 0.077 0.000 1.168 117 Y HN 0.600 nan 8.280 nan 0.000 0.502 118 L N 8.055 128.925 121.223 -0.589 0.000 2.462 118 L HA 0.047 4.387 4.340 0.001 0.000 0.283 118 L C 1.234 177.680 176.870 -0.707 0.000 1.166 118 L CA -0.131 54.153 54.840 -0.927 0.000 0.964 118 L CB -0.028 41.202 42.059 -1.381 0.000 1.294 118 L HN 0.882 nan 8.230 nan 0.000 0.449 119 T N 0.189 114.533 114.554 -0.351 0.000 2.635 119 T HA -0.216 4.134 4.350 0.001 0.000 0.267 119 T C 1.391 175.953 174.700 -0.230 0.000 1.040 119 T CA 1.934 63.825 62.100 -0.349 0.000 1.156 119 T CB -0.207 68.660 68.868 -0.002 0.000 0.863 119 T HN 0.769 nan 8.240 nan 0.000 0.430 120 D N 1.663 122.027 120.400 -0.059 0.000 2.378 120 D HA -0.051 4.590 4.640 0.001 0.000 0.227 120 D C 2.048 178.309 176.300 -0.064 0.000 1.012 120 D CA 0.561 54.552 54.000 -0.015 0.000 0.905 120 D CB -1.409 39.424 40.800 0.055 0.000 0.895 120 D HN 0.674 nan 8.370 nan 0.000 0.532 121 C N -1.242 117.971 119.300 -0.145 0.000 2.449 121 C HA 0.074 4.534 4.460 0.001 0.000 0.283 121 C C 2.266 177.046 174.990 -0.349 0.000 1.453 121 C CA -0.026 58.893 59.018 -0.164 0.000 1.779 121 C CB -1.350 26.330 27.740 -0.101 0.000 1.779 121 C HN 0.249 nan 8.230 nan 0.000 0.546 122 E N 1.544 121.576 120.200 -0.281 0.000 2.072 122 E HA -0.152 4.198 4.350 0.001 0.000 0.190 122 E C 2.491 178.953 176.600 -0.230 0.000 0.982 122 E CA 1.984 58.181 56.400 -0.338 0.000 0.803 122 E CB 0.013 29.696 29.700 -0.029 0.000 0.755 122 E HN 0.904 nan 8.360 nan 0.000 0.453 123 T N -1.371 113.109 114.554 -0.124 0.000 2.857 123 T HA -0.185 4.165 4.350 0.001 0.000 0.266 123 T C 1.929 176.567 174.700 -0.103 0.000 1.048 123 T CA 1.192 63.243 62.100 -0.082 0.000 1.139 123 T CB -0.166 68.680 68.868 -0.037 0.000 0.874 123 T HN -0.008 nan 8.240 nan 0.000 0.455 124 Q N 0.868 120.596 119.800 -0.120 0.000 2.135 124 Q HA -0.023 4.317 4.340 0.001 0.000 0.204 124 Q C 2.129 178.035 176.000 -0.158 0.000 0.981 124 Q CA 1.315 57.052 55.803 -0.110 0.000 0.856 124 Q CB -0.938 27.752 28.738 -0.080 0.000 0.902 124 Q HN 0.541 nan 8.270 nan 0.000 0.425 125 L N 0.269 121.326 121.223 -0.276 0.000 1.990 125 L HA -0.227 4.114 4.340 0.001 0.000 0.213 125 L C 2.206 178.965 176.870 -0.186 0.000 1.072 125 L CA 2.723 57.360 54.840 -0.338 0.000 0.755 125 L CB -1.241 40.461 42.059 -0.595 0.000 0.889 125 L HN 0.450 nan 8.230 nan 0.000 0.432 126 S N -1.738 113.883 115.700 -0.133 0.000 2.474 126 S HA -0.170 4.300 4.470 0.001 0.000 0.235 126 S C 1.539 176.132 174.600 -0.011 0.000 0.997 126 S CA 1.124 59.294 58.200 -0.051 0.000 0.949 126 S CB -0.452 62.730 63.200 -0.030 0.000 0.766 126 S HN 0.756 nan 8.310 nan 0.000 0.517 127 Q N 0.682 120.468 119.800 -0.024 0.000 2.155 127 Q HA 0.518 4.858 4.340 0.001 0.000 0.220 127 Q C 0.023 176.036 176.000 0.022 0.000 0.819 127 Q CA -0.133 55.671 55.803 0.001 0.000 1.032 127 Q CB 0.943 29.671 28.738 -0.016 0.000 1.151 127 Q HN 0.611 nan 8.270 nan 0.000 0.487 128 A N 2.502 125.348 122.820 0.044 0.000 2.524 128 A HA 0.271 4.591 4.320 0.001 0.000 0.250 128 A C -2.228 175.472 177.584 0.193 0.000 1.078 128 A CA -0.973 51.117 52.037 0.089 0.000 0.761 128 A CB -0.192 18.822 19.000 0.023 0.000 1.012 128 A HN 0.005 nan 8.150 nan 0.000 0.500 129 P HA 0.074 nan 4.420 nan 0.000 0.263 129 P C 0.712 178.037 177.300 0.040 0.000 1.195 129 P CA 0.080 63.216 63.100 0.059 0.000 0.762 129 P CB 0.587 32.304 31.700 0.028 0.000 0.799 130 R N 3.232 123.650 120.500 -0.136 0.000 2.115 130 R HA -0.086 4.255 4.340 0.001 0.000 0.226 130 R C 1.161 177.217 176.300 -0.406 0.000 1.100 130 R CA 1.812 57.615 56.100 -0.495 0.000 0.980 130 R CB -0.389 29.688 30.300 -0.372 0.000 0.875 130 R HN 0.390 nan 8.270 nan 0.000 0.445 131 Q N -0.584 119.114 119.800 -0.170 0.000 2.222 131 Q HA 0.323 4.664 4.340 0.001 0.000 0.206 131 Q C -0.120 175.863 176.000 -0.028 0.000 0.877 131 Q CA 0.311 56.055 55.803 -0.098 0.000 0.958 131 Q CB 1.085 29.786 28.738 -0.061 0.000 1.075 131 Q HN 0.324 nan 8.270 nan 0.000 0.483 132 G N -0.069 108.736 108.800 0.009 0.000 2.432 132 G HA2 0.068 4.028 3.960 0.001 0.000 0.239 132 G HA3 0.068 4.028 3.960 0.001 0.000 0.239 132 G C 0.542 175.478 174.900 0.059 0.000 1.291 132 G CA -0.421 44.712 45.100 0.055 0.000 0.863 132 G HN 0.346 nan 8.290 nan 0.000 0.560 133 L N 1.065 122.307 121.223 0.031 0.000 2.362 133 L HA 0.033 4.373 4.340 0.001 0.000 0.219 133 L C 1.598 178.477 176.870 0.014 0.000 1.134 133 L CA 0.827 55.674 54.840 0.012 0.000 0.807 133 L CB -0.237 41.810 42.059 -0.021 0.000 0.927 133 L HN 0.434 nan 8.230 nan 0.000 0.447 134 L N -1.495 119.742 121.223 0.024 0.000 3.202 134 L HA 0.163 4.503 4.340 0.001 0.000 0.278 134 L C 0.095 176.979 176.870 0.023 0.000 1.268 134 L CA -0.665 54.176 54.840 0.001 0.000 1.034 134 L CB -0.073 41.963 42.059 -0.039 0.000 1.407 134 L HN 0.045 nan 8.230 nan 0.000 0.581 135 Y N 1.563 121.839 120.300 -0.039 0.000 2.802 135 Y HA 0.147 4.698 4.550 0.001 0.000 0.333 135 Y C 1.486 177.364 175.900 -0.037 0.000 1.244 135 Y CA 1.244 59.322 58.100 -0.036 0.000 1.558 135 Y CB 0.470 38.914 38.460 -0.026 0.000 1.233 135 Y HN 0.383 nan 8.280 nan 0.000 0.547 136 G N 3.524 111.918 108.800 -0.675 0.000 2.184 136 G HA2 -0.281 3.679 3.960 0.001 0.000 0.264 136 G HA3 -0.281 3.679 3.960 0.001 0.000 0.264 136 G C -0.313 174.416 174.900 -0.284 0.000 0.975 136 G CA 0.115 44.858 45.100 -0.596 0.000 0.642 136 G HN 0.753 nan 8.290 nan 0.000 0.536 137 V N 2.552 122.346 119.914 -0.200 0.000 2.427 137 V HA 0.381 4.501 4.120 0.001 0.000 0.268 137 V C -1.596 174.402 176.094 -0.161 0.000 1.046 137 V CA -1.294 60.906 62.300 -0.167 0.000 0.970 137 V CB 1.311 33.058 31.823 -0.127 0.000 1.001 137 V HN 0.114 nan 8.190 nan 0.000 0.476 138 P HA 0.245 nan 4.420 nan 0.000 0.271 138 P C -0.775 176.499 177.300 -0.043 0.000 1.220 138 P CA 0.057 63.025 63.100 -0.221 0.000 0.768 138 P CB 0.839 32.103 31.700 -0.725 0.000 0.848 139 V N 3.004 123.032 119.914 0.190 0.000 2.656 139 V HA 0.420 4.541 4.120 0.001 0.000 0.307 139 V C 0.134 176.266 176.094 0.063 0.000 1.051 139 V CA -0.554 61.801 62.300 0.091 0.000 0.893 139 V CB 2.081 33.884 31.823 -0.033 0.000 0.999 139 V HN 0.593 nan 8.190 nan 0.000 0.426 140 S N 5.302 120.955 115.700 -0.079 0.000 2.578 140 S HA 0.842 5.313 4.470 0.001 0.000 0.283 140 S C -0.829 173.642 174.600 -0.215 0.000 1.195 140 S CA -0.715 57.308 58.200 -0.296 0.000 1.050 140 S CB 1.307 64.331 63.200 -0.294 0.000 1.012 140 S HN 0.517 nan 8.310 nan 0.000 0.511 141 L N 1.952 123.061 121.223 -0.189 0.000 2.381 141 L HA 0.512 4.852 4.340 0.001 0.000 0.274 141 L C 0.152 177.094 176.870 0.119 0.000 0.988 141 L CA -0.874 53.923 54.840 -0.072 0.000 0.824 141 L CB 1.895 43.964 42.059 0.016 0.000 1.263 141 L HN 0.768 nan 8.230 nan 0.000 0.410 142 K N 2.162 122.680 120.400 0.197 0.000 2.518 142 K HA -0.093 4.228 4.320 0.001 0.000 0.276 142 K C 1.039 177.748 176.600 0.182 0.000 0.974 142 K CA 0.248 56.672 56.287 0.228 0.000 0.986 142 K CB 0.676 33.369 32.500 0.322 0.000 0.901 142 K HN 0.665 nan 8.250 nan 0.000 0.497 143 E N 2.445 122.603 120.200 -0.071 0.000 2.265 143 E HA -0.189 4.161 4.350 0.001 0.000 0.196 143 E C 1.494 177.849 176.600 -0.407 0.000 0.996 143 E CA 1.365 57.497 56.400 -0.448 0.000 0.832 143 E CB -0.084 29.435 29.700 -0.302 0.000 0.756 143 E HN 0.800 nan 8.360 nan 0.000 0.491 144 C N -0.380 118.812 119.300 -0.179 0.000 2.472 144 C HA 0.110 4.570 4.460 0.001 0.000 0.278 144 C C 1.073 175.928 174.990 -0.226 0.000 1.447 144 C CA -0.757 58.132 59.018 -0.215 0.000 1.773 144 C CB -1.739 25.843 27.740 -0.263 0.000 1.793 144 C HN 0.042 nan 8.230 nan 0.000 0.544 145 F N 3.479 123.436 119.950 0.011 0.000 2.494 145 F HA 0.262 4.790 4.527 0.001 0.000 0.351 145 F C 1.063 176.999 175.800 0.226 0.000 1.205 145 F CA 0.110 58.178 58.000 0.112 0.000 1.125 145 F CB -0.166 38.910 39.000 0.125 0.000 1.268 145 F HN 0.078 nan 8.300 nan 0.000 0.593 146 S N 3.471 119.318 115.700 0.245 0.000 2.563 146 S HA -0.032 4.438 4.470 0.001 0.000 0.294 146 S C -0.732 174.048 174.600 0.299 0.000 1.279 146 S CA 0.098 58.446 58.200 0.247 0.000 1.069 146 S CB 0.041 63.322 63.200 0.135 0.000 0.828 146 S HN 0.524 nan 8.310 nan 0.000 0.497 147 Y N 2.198 122.611 120.300 0.188 0.000 2.373 147 Y HA 0.342 4.892 4.550 -0.000 0.000 0.336 147 Y C -0.053 175.910 175.900 0.105 0.000 0.979 147 Y CA -1.010 57.129 58.100 0.064 0.000 1.080 147 Y CB 1.010 39.374 38.460 -0.160 0.000 1.190 147 Y HN 0.610 nan 8.280 nan 0.000 0.446 148 K N 3.798 124.087 120.400 -0.185 0.000 2.491 148 K HA 0.269 4.589 4.320 0.001 0.000 0.279 148 K C 0.972 177.695 176.600 0.204 0.000 1.026 148 K CA 1.663 57.938 56.287 -0.020 0.000 1.070 148 K CB -0.223 32.195 32.500 -0.136 0.000 0.887 148 K HN 1.109 nan 8.250 nan 0.000 0.481 149 G N 3.065 111.974 108.800 0.181 0.000 2.175 149 G HA2 -0.213 3.747 3.960 0.001 0.000 0.244 149 G HA3 -0.213 3.747 3.960 0.001 0.000 0.244 149 G C -0.266 174.689 174.900 0.091 0.000 0.982 149 G CA -0.049 45.135 45.100 0.141 0.000 0.641 149 G HN 0.783 nan 8.290 nan 0.000 0.527 150 H N 0.623 119.795 119.070 0.171 0.000 2.524 150 H HA 0.375 4.931 4.556 0.000 0.000 0.353 150 H C -0.700 174.741 175.328 0.189 0.000 1.136 150 H CA -0.888 55.274 56.048 0.189 0.000 1.193 150 H CB 1.579 31.481 29.762 0.232 0.000 1.558 150 H HN 0.146 nan 8.280 nan 0.000 0.515 151 D N 0.888 121.436 120.400 0.246 0.000 2.400 151 D HA 0.037 4.677 4.640 0.001 0.000 0.238 151 D C -0.179 176.237 176.300 0.193 0.000 1.157 151 D CA 0.411 54.525 54.000 0.188 0.000 0.889 151 D CB 0.801 41.702 40.800 0.167 0.000 1.199 151 D HN 0.287 nan 8.370 nan 0.000 0.436 152 S N 0.044 115.810 115.700 0.109 0.000 2.426 152 S HA 0.132 4.602 4.470 0.001 0.000 0.236 152 S C 1.339 175.959 174.600 0.032 0.000 1.368 152 S CA -0.615 57.592 58.200 0.012 0.000 1.154 152 S CB 0.675 63.868 63.200 -0.012 0.000 1.037 152 S HN 0.523 nan 8.310 nan 0.000 0.481 153 T N 0.317 114.918 114.554 0.079 0.000 2.942 153 T HA 0.036 4.386 4.350 0.001 0.000 0.265 153 T C 1.099 175.821 174.700 0.037 0.000 1.062 153 T CA 0.361 62.510 62.100 0.082 0.000 1.139 153 T CB -0.705 68.256 68.868 0.155 0.000 0.883 153 T HN 0.603 nan 8.240 nan 0.000 0.468 154 L N 0.465 121.712 121.223 0.040 0.000 4.179 154 L HA -0.226 4.114 4.340 0.001 0.000 0.418 154 L C 1.392 178.289 176.870 0.046 0.000 1.168 154 L CA 0.374 55.228 54.840 0.025 0.000 0.972 154 L CB -2.673 39.375 42.059 -0.017 0.000 2.005 154 L HN 0.706 nan 8.230 nan 0.000 0.935 155 G N -0.538 108.319 108.800 0.094 0.000 2.148 155 G HA2 -0.303 3.658 3.960 0.001 0.000 0.254 155 G HA3 -0.303 3.658 3.960 0.001 0.000 0.254 155 G C 0.043 174.924 174.900 -0.031 0.000 0.981 155 G CA 0.468 45.605 45.100 0.061 0.000 0.670 155 G HN 0.335 nan 8.290 nan 0.000 0.528 156 L N 0.851 122.032 121.223 -0.070 0.000 2.296 156 L HA 0.519 4.859 4.340 0.001 0.000 0.286 156 L C 1.828 178.639 176.870 -0.098 0.000 1.023 156 L CA 0.095 54.849 54.840 -0.145 0.000 0.812 156 L CB 1.635 43.557 42.059 -0.228 0.000 1.223 156 L HN 0.175 nan 8.230 nan 0.000 0.421 157 S N 3.788 119.434 115.700 -0.089 0.000 2.387 157 S HA -0.199 4.271 4.470 0.001 0.000 0.230 157 S C 1.703 176.268 174.600 -0.060 0.000 1.035 157 S CA 2.079 60.242 58.200 -0.061 0.000 1.014 157 S CB -0.272 62.901 63.200 -0.046 0.000 0.836 157 S HN 0.652 nan 8.310 nan 0.000 0.466 158 L N -0.107 121.068 121.223 -0.080 0.000 2.362 158 L HA 0.177 4.517 4.340 0.001 0.000 0.219 158 L C 1.202 178.051 176.870 -0.036 0.000 1.134 158 L CA 1.366 56.171 54.840 -0.059 0.000 0.807 158 L CB -0.505 41.513 42.059 -0.070 0.000 0.927 158 L HN 0.127 nan 8.230 nan 0.000 0.447 159 N N 0.310 118.989 118.700 -0.035 0.000 2.280 159 N HA 0.024 4.764 4.740 0.001 0.000 0.192 159 N C 0.203 175.723 175.510 0.016 0.000 1.109 159 N CA 0.182 53.229 53.050 -0.004 0.000 0.855 159 N CB 0.024 38.511 38.487 -0.001 0.000 0.974 159 N HN 0.505 nan 8.380 nan 0.000 0.482 160 E N 0.468 120.670 120.200 0.004 0.000 2.331 160 E HA 0.257 4.607 4.350 0.001 0.000 0.272 160 E C 0.488 177.100 176.600 0.019 0.000 1.036 160 E CA -0.026 56.384 56.400 0.016 0.000 0.864 160 E CB 0.667 30.360 29.700 -0.012 0.000 1.035 160 E HN 0.338 nan 8.360 nan 0.000 0.408 161 G N 4.590 113.410 108.800 0.033 0.000 2.221 161 G HA2 -0.186 3.774 3.960 0.001 0.000 0.265 161 G HA3 -0.186 3.774 3.960 0.001 0.000 0.265 161 G C 0.155 175.071 174.900 0.028 0.000 1.041 161 G CA 0.552 45.669 45.100 0.027 0.000 0.807 161 G HN 0.347 nan 8.290 nan 0.000 0.502 162 M N 0.778 120.402 119.600 0.039 0.000 2.389 162 M HA 0.248 4.728 4.480 0.001 0.000 0.206 162 M C -2.522 173.812 176.300 0.057 0.000 0.976 162 M CA -1.939 53.385 55.300 0.039 0.000 0.648 162 M CB 0.959 33.579 32.600 0.034 0.000 1.474 162 M HN 0.057 nan 8.290 nan 0.000 0.398 163 P HA 0.159 nan 4.420 nan 0.000 0.271 163 P C -0.121 177.230 177.300 0.084 0.000 1.216 163 P CA 0.125 63.274 63.100 0.082 0.000 0.776 163 P CB 0.647 32.379 31.700 0.053 0.000 0.881 164 S N 2.077 117.849 115.700 0.120 0.000 2.560 164 S HA 0.004 4.474 4.470 0.001 0.000 0.284 164 S C 1.464 176.103 174.600 0.064 0.000 1.327 164 S CA -0.419 57.839 58.200 0.096 0.000 1.055 164 S CB 0.328 63.605 63.200 0.128 0.000 0.868 164 S HN 0.452 nan 8.310 nan 0.000 0.506 165 E N 1.076 121.298 120.200 0.037 0.000 2.216 165 E HA -0.014 4.336 4.350 0.001 0.000 0.192 165 E C 0.694 177.294 176.600 0.001 0.000 0.988 165 E CA 0.568 56.978 56.400 0.017 0.000 0.834 165 E CB 0.068 29.774 29.700 0.009 0.000 0.772 165 E HN 0.701 nan 8.360 nan 0.000 0.479 166 S N 0.051 115.750 115.700 -0.002 0.000 2.615 166 S HA 0.283 4.753 4.470 0.001 0.000 0.269 166 S C -1.139 173.432 174.600 -0.048 0.000 1.161 166 S CA -1.122 57.054 58.200 -0.039 0.000 0.817 166 S CB 1.824 65.004 63.200 -0.034 0.000 1.131 166 S HN -0.245 nan 8.310 nan 0.000 0.467 167 D N 1.580 121.910 120.400 -0.116 0.000 2.414 167 D HA 0.335 4.976 4.640 0.001 0.000 0.242 167 D C 1.034 177.325 176.300 -0.015 0.000 1.129 167 D CA -0.266 53.663 54.000 -0.119 0.000 0.885 167 D CB 0.410 41.084 40.800 -0.210 0.000 1.198 167 D HN 0.886 nan 8.370 nan 0.000 0.437 168 C N 0.246 119.579 119.300 0.056 0.000 2.705 168 C HA 0.150 4.610 4.460 0.001 0.000 0.365 168 C C 2.209 177.239 174.990 0.066 0.000 1.353 168 C CA -0.916 58.150 59.018 0.080 0.000 2.339 168 C CB -0.141 27.683 27.740 0.139 0.000 2.576 168 C HN 0.489 nan 8.230 nan 0.000 0.716 169 V N 2.081 122.036 119.914 0.069 0.000 2.287 169 V HA -0.207 3.914 4.120 0.001 0.000 0.248 169 V C 2.640 178.766 176.094 0.054 0.000 1.053 169 V CA 2.696 65.028 62.300 0.052 0.000 1.027 169 V CB -0.922 30.937 31.823 0.060 0.000 0.646 169 V HN 0.989 nan 8.190 nan 0.000 0.447 170 V N -2.135 117.841 119.914 0.102 0.000 2.490 170 V HA -0.156 3.964 4.120 0.001 0.000 0.250 170 V C 2.219 178.331 176.094 0.030 0.000 1.061 170 V CA 1.839 64.186 62.300 0.077 0.000 1.064 170 V CB -0.936 30.968 31.823 0.135 0.000 0.670 170 V HN 0.300 nan 8.190 nan 0.000 0.461 171 V N 0.618 120.571 119.914 0.065 0.000 2.295 171 V HA -0.296 3.824 4.120 0.001 0.000 0.246 171 V C 2.880 178.960 176.094 -0.024 0.000 1.049 171 V CA 2.554 64.872 62.300 0.030 0.000 1.024 171 V CB -0.898 30.975 31.823 0.083 0.000 0.648 171 V HN 0.581 nan 8.190 nan 0.000 0.447 172 Q N -0.493 119.284 119.800 -0.038 0.000 2.061 172 Q HA -0.199 4.141 4.340 0.001 0.000 0.204 172 Q C 2.331 178.273 176.000 -0.096 0.000 0.984 172 Q CA 2.048 57.805 55.803 -0.076 0.000 0.846 172 Q CB -0.414 28.284 28.738 -0.065 0.000 0.902 172 Q HN 0.555 nan 8.270 nan 0.000 0.421 173 V N 1.117 120.988 119.914 -0.071 0.000 2.358 173 V HA -0.247 3.873 4.120 0.001 0.000 0.246 173 V C 2.233 178.278 176.094 -0.080 0.000 1.047 173 V CA 1.419 63.670 62.300 -0.083 0.000 1.035 173 V CB -0.556 31.239 31.823 -0.047 0.000 0.658 173 V HN 0.335 nan 8.190 nan 0.000 0.452 174 L N -0.387 120.798 121.223 -0.064 0.000 2.013 174 L HA -0.255 4.086 4.340 0.001 0.000 0.212 174 L C 2.647 179.481 176.870 -0.060 0.000 1.073 174 L CA 1.915 56.717 54.840 -0.062 0.000 0.753 174 L CB -0.594 41.428 42.059 -0.062 0.000 0.890 174 L HN 0.299 nan 8.230 nan 0.000 0.432 175 K N -0.107 120.254 120.400 -0.065 0.000 2.097 175 K HA -0.127 4.193 4.320 0.001 0.000 0.205 175 K C 2.049 178.597 176.600 -0.087 0.000 1.050 175 K CA 1.062 57.309 56.287 -0.066 0.000 0.938 175 K CB -0.170 32.287 32.500 -0.071 0.000 0.718 175 K HN 0.254 nan 8.250 nan 0.000 0.442 176 L N 0.971 122.106 121.223 -0.145 0.000 2.275 176 L HA -0.152 4.188 4.340 0.001 0.000 0.215 176 L C 2.004 178.812 176.870 -0.105 0.000 1.119 176 L CA 0.806 55.514 54.840 -0.221 0.000 0.790 176 L CB -0.129 41.597 42.059 -0.555 0.000 0.919 176 L HN 0.172 nan 8.230 nan 0.000 0.443 177 Q N -0.228 119.541 119.800 -0.051 0.000 2.320 177 Q HA 0.113 4.454 4.340 0.001 0.000 0.201 177 Q C 1.441 177.457 176.000 0.027 0.000 0.910 177 Q CA 0.747 56.553 55.803 0.004 0.000 0.946 177 Q CB 0.823 29.557 28.738 -0.007 0.000 1.062 177 Q HN 0.557 nan 8.270 nan 0.000 0.503 178 G N 0.507 109.319 108.800 0.021 0.000 2.176 178 G HA2 -0.288 3.673 3.960 0.001 0.000 0.253 178 G HA3 -0.288 3.673 3.960 0.001 0.000 0.253 178 G C 0.418 175.305 174.900 -0.021 0.000 0.979 178 G CA 0.158 45.296 45.100 0.063 0.000 0.641 178 G HN 0.572 nan 8.290 nan 0.000 0.530 179 A N -0.618 122.178 122.820 -0.040 0.000 2.346 179 A HA 0.683 5.003 4.320 0.001 0.000 0.252 179 A C 0.446 177.993 177.584 -0.062 0.000 1.089 179 A CA 0.589 52.587 52.037 -0.065 0.000 0.797 179 A CB 1.007 19.972 19.000 -0.058 0.000 1.047 179 A HN 1.208 nan 8.150 nan 0.000 0.494 180 V N 2.873 122.757 119.914 -0.050 0.000 2.289 180 V HA 0.266 4.386 4.120 0.001 0.000 0.272 180 V C -2.560 173.596 176.094 0.103 0.000 1.026 180 V CA -1.399 60.894 62.300 -0.012 0.000 0.807 180 V CB 0.941 32.721 31.823 -0.072 0.000 1.044 180 V HN 0.710 nan 8.190 nan 0.000 0.443 181 P HA 0.143 nan 4.420 nan 0.000 0.267 181 P C 0.058 177.382 177.300 0.041 0.000 1.209 181 P CA 0.174 63.302 63.100 0.046 0.000 0.763 181 P CB 0.288 31.996 31.700 0.014 0.000 0.816 182 F N 3.141 122.997 119.950 -0.157 0.000 2.819 182 F HA 0.364 4.892 4.527 0.001 0.000 0.325 182 F C -0.264 175.462 175.800 -0.123 0.000 1.041 182 F CA -0.407 57.541 58.000 -0.086 0.000 1.184 182 F CB 0.021 39.088 39.000 0.112 0.000 1.019 182 F HN 0.089 nan 8.300 nan 0.000 0.590 183 V N -1.383 118.058 119.914 -0.788 0.000 3.049 183 V HA 0.535 4.655 4.120 0.001 0.000 0.309 183 V C -1.266 174.560 176.094 -0.447 0.000 1.148 183 V CA -1.022 60.929 62.300 -0.581 0.000 0.990 183 V CB 1.317 32.763 31.823 -0.629 0.000 1.039 183 V HN 0.283 nan 8.190 nan 0.000 0.430 184 H N 1.513 120.392 119.070 -0.319 0.000 2.502 184 H HA 0.708 5.265 4.556 0.001 0.000 0.327 184 H C 0.228 175.426 175.328 -0.217 0.000 1.099 184 H CA 0.132 56.043 56.048 -0.227 0.000 1.323 184 H CB 1.771 31.427 29.762 -0.177 0.000 1.450 184 H HN 1.040 nan 8.280 nan 0.000 0.502 185 T N 0.588 115.124 114.554 -0.031 0.000 2.932 185 T HA 0.195 4.545 4.350 0.001 0.000 0.289 185 T C 0.220 174.873 174.700 -0.078 0.000 1.039 185 T CA -1.205 60.847 62.100 -0.079 0.000 1.024 185 T CB 1.631 70.464 68.868 -0.059 0.000 1.090 185 T HN 0.425 nan 8.240 nan 0.000 0.496 186 N N 0.244 118.899 118.700 -0.075 0.000 2.453 186 N HA 0.427 5.168 4.740 0.001 0.000 0.253 186 N C -0.474 175.044 175.510 0.013 0.000 1.252 186 N CA -0.224 52.801 53.050 -0.041 0.000 0.917 186 N CB 0.628 39.110 38.487 -0.009 0.000 1.117 186 N HN 0.816 nan 8.380 nan 0.000 0.442 187 V N -0.194 119.747 119.914 0.044 0.000 3.007 187 V HA 0.748 4.868 4.120 0.001 0.000 0.311 187 V C -2.665 173.482 176.094 0.088 0.000 1.120 187 V CA -2.099 60.237 62.300 0.060 0.000 0.980 187 V CB 1.988 33.840 31.823 0.047 0.000 1.033 187 V HN 0.624 nan 8.190 nan 0.000 0.429 188 P HA 0.081 nan 4.420 nan 0.000 0.269 188 P C -0.464 176.919 177.300 0.138 0.000 1.209 188 P CA 0.004 63.168 63.100 0.107 0.000 0.776 188 P CB 0.606 32.367 31.700 0.101 0.000 0.876 189 Q N 2.296 122.187 119.800 0.152 0.000 2.262 189 Q HA -0.012 4.328 4.340 0.001 0.000 0.298 189 Q C 0.764 176.901 176.000 0.228 0.000 1.083 189 Q CA 1.410 57.309 55.803 0.159 0.000 0.962 189 Q CB -0.242 28.610 28.738 0.191 0.000 1.104 189 Q HN 0.735 nan 8.270 nan 0.000 0.376 190 S N 3.256 119.031 115.700 0.125 0.000 2.427 190 S HA -0.343 4.128 4.470 0.001 0.000 0.253 190 S C 0.707 175.445 174.600 0.230 0.000 1.246 190 S CA 1.420 59.723 58.200 0.172 0.000 1.421 190 S CB -1.640 61.791 63.200 0.384 0.000 1.769 190 S HN 1.024 nan 8.310 nan 0.000 0.620 191 M N -2.140 117.582 119.600 0.203 0.000 2.949 191 M HA -0.197 4.284 4.480 0.001 0.000 0.194 191 M C 0.215 176.647 176.300 0.220 0.000 0.618 191 M CA 1.634 57.022 55.300 0.148 0.000 0.742 191 M CB -2.056 30.564 32.600 0.035 0.000 2.662 191 M HN 0.580 nan 8.290 nan 0.000 0.291 192 F N 2.159 122.232 119.950 0.205 0.000 2.640 192 F HA 0.443 4.971 4.527 0.001 0.000 0.354 192 F C 0.478 176.351 175.800 0.122 0.000 1.213 192 F CA 0.047 58.124 58.000 0.128 0.000 1.314 192 F CB 0.374 39.408 39.000 0.057 0.000 1.679 192 F HN 0.118 nan 8.300 nan 0.000 0.622 193 S N 2.374 118.290 115.700 0.361 0.000 2.586 193 S HA 0.146 4.617 4.470 0.001 0.000 0.277 193 S C -0.640 174.049 174.600 0.148 0.000 1.131 193 S CA -0.669 57.642 58.200 0.184 0.000 0.848 193 S CB 0.566 63.837 63.200 0.119 0.000 1.091 193 S HN 0.478 nan 8.310 nan 0.000 0.453 194 Y N 1.389 121.611 120.300 -0.129 0.000 2.658 194 Y HA 0.586 5.136 4.550 0.000 0.000 0.276 194 Y C 0.246 176.020 175.900 -0.209 0.000 1.167 194 Y CA -0.556 57.368 58.100 -0.294 0.000 1.230 194 Y CB 0.036 37.912 38.460 -0.973 0.000 1.144 194 Y HN 0.521 nan 8.280 nan 0.000 0.529 195 D N -0.092 120.180 120.400 -0.214 0.000 2.570 195 D HA 0.316 4.956 4.640 0.001 0.000 0.266 195 D C -0.652 175.639 176.300 -0.015 0.000 1.182 195 D CA -0.785 53.138 54.000 -0.128 0.000 1.088 195 D CB 1.978 42.684 40.800 -0.156 0.000 1.186 195 D HN 0.147 nan 8.370 nan 0.000 0.618 196 C N 1.125 120.432 119.300 0.011 0.000 3.104 196 C HA 0.525 4.985 4.460 0.001 0.000 0.206 196 C C -0.848 174.172 174.990 0.050 0.000 1.429 196 C CA -0.252 58.792 59.018 0.043 0.000 1.105 196 C CB -1.504 26.268 27.740 0.054 0.000 1.904 196 C HN 0.351 nan 8.230 nan 0.000 0.626 197 S N 2.310 118.040 115.700 0.050 0.000 2.526 197 S HA 0.861 5.331 4.470 0.001 0.000 0.293 197 S C -0.716 173.930 174.600 0.076 0.000 1.092 197 S CA -0.307 57.927 58.200 0.056 0.000 0.980 197 S CB 1.175 64.393 63.200 0.030 0.000 1.048 197 S HN 0.883 nan 8.310 nan 0.000 0.483 198 N N 2.262 121.011 118.700 0.082 0.000 2.525 198 N HA 0.600 5.341 4.740 0.001 0.000 0.270 198 N C -2.865 172.661 175.510 0.027 0.000 1.321 198 N CA -1.606 51.490 53.050 0.078 0.000 0.797 198 N CB 1.195 39.744 38.487 0.104 0.000 1.529 198 N HN 0.179 nan 8.380 nan 0.000 0.491 199 P HA 0.108 nan 4.420 nan 0.000 0.237 199 P C 0.531 177.758 177.300 -0.122 0.000 1.178 199 P CA 0.585 63.649 63.100 -0.060 0.000 0.766 199 P CB 0.291 31.995 31.700 0.008 0.000 0.876 200 L N -2.613 118.501 121.223 -0.182 0.000 2.121 200 L HA 0.083 4.424 4.340 0.001 0.000 0.200 200 L C 1.711 178.267 176.870 -0.524 0.000 1.077 200 L CA 1.315 55.884 54.840 -0.452 0.000 0.766 200 L CB -0.672 40.935 42.059 -0.753 0.000 0.931 200 L HN -0.110 nan 8.230 nan 0.000 0.452 201 F N -0.335 119.619 119.950 0.007 0.000 2.721 201 F HA 0.392 4.919 4.527 0.001 0.000 0.301 201 F C 1.434 177.231 175.800 -0.005 0.000 1.096 201 F CA 0.285 58.288 58.000 0.005 0.000 1.308 201 F CB 0.257 39.264 39.000 0.013 0.000 1.086 201 F HN 0.201 nan 8.300 nan 0.000 0.587 202 G N 0.913 109.775 108.800 0.102 0.000 2.568 202 G HA2 -0.278 3.682 3.960 0.001 0.000 0.222 202 G HA3 -0.278 3.682 3.960 0.001 0.000 0.222 202 G C -0.753 174.189 174.900 0.069 0.000 1.321 202 G CA -0.628 44.505 45.100 0.056 0.000 0.893 202 G HN 0.304 nan 8.290 nan 0.000 0.569 203 Q N -0.161 119.664 119.800 0.041 0.000 2.271 203 Q HA 0.646 4.986 4.340 0.001 0.000 0.258 203 Q C -0.046 175.975 176.000 0.035 0.000 0.936 203 Q CA -0.161 55.663 55.803 0.035 0.000 0.909 203 Q CB 1.109 29.857 28.738 0.015 0.000 1.253 203 Q HN 0.677 nan 8.270 nan 0.000 0.440 204 T N 4.790 119.368 114.554 0.040 0.000 2.845 204 T HA 0.455 4.806 4.350 0.001 0.000 0.288 204 T C -0.224 174.501 174.700 0.041 0.000 0.980 204 T CA -0.257 61.864 62.100 0.036 0.000 1.071 204 T CB 0.534 69.426 68.868 0.041 0.000 0.941 204 T HN 0.588 nan 8.240 nan 0.000 0.487 205 M N 2.791 122.413 119.600 0.038 0.000 2.578 205 M HA 0.364 4.845 4.480 0.001 0.000 0.321 205 M C 0.485 176.831 176.300 0.076 0.000 1.182 205 M CA -0.975 54.354 55.300 0.048 0.000 0.965 205 M CB 1.190 33.808 32.600 0.029 0.000 1.694 205 M HN 0.439 nan 8.290 nan 0.000 0.461 206 N N 3.205 121.969 118.700 0.106 0.000 2.458 206 N HA 0.091 4.831 4.740 0.001 0.000 0.258 206 N C -1.900 173.703 175.510 0.156 0.000 1.219 206 N CA -0.969 52.181 53.050 0.166 0.000 0.902 206 N CB 1.052 39.648 38.487 0.182 0.000 1.076 206 N HN 0.386 nan 8.380 nan 0.000 0.455 207 P HA -0.010 nan 4.420 nan 0.000 0.229 207 P C 0.702 178.010 177.300 0.012 0.000 1.160 207 P CA 0.875 64.002 63.100 0.045 0.000 0.777 207 P CB 0.021 31.705 31.700 -0.026 0.000 0.814 208 W N 0.993 122.303 121.300 0.016 0.000 2.576 208 W HA 0.186 4.846 4.660 0.001 0.000 0.270 208 W C 1.024 177.542 176.519 -0.003 0.000 1.255 208 W CA 0.567 57.916 57.345 0.007 0.000 1.314 208 W CB 0.125 29.590 29.460 0.009 0.000 1.101 208 W HN -0.121 nan 8.180 nan 0.000 0.595 209 K N -0.067 120.461 120.400 0.214 0.000 2.610 209 K HA 0.059 4.379 4.320 0.001 0.000 0.274 209 K C 0.771 177.416 176.600 0.074 0.000 1.049 209 K CA 0.241 56.597 56.287 0.115 0.000 0.945 209 K CB 0.942 33.500 32.500 0.098 0.000 1.313 209 K HN -0.137 nan 8.250 nan 0.000 0.463 210 S N 0.826 116.553 115.700 0.045 0.000 2.474 210 S HA -0.143 4.327 4.470 0.001 0.000 0.235 210 S C 1.412 176.025 174.600 0.021 0.000 0.997 210 S CA 1.475 59.692 58.200 0.029 0.000 0.949 210 S CB -0.175 63.032 63.200 0.011 0.000 0.766 210 S HN 0.598 nan 8.310 nan 0.000 0.517 211 S N 0.496 116.205 115.700 0.016 0.000 2.562 211 S HA 0.223 4.693 4.470 0.001 0.000 0.221 211 S C 0.537 175.137 174.600 0.001 0.000 0.975 211 S CA -0.310 57.892 58.200 0.004 0.000 0.918 211 S CB -0.194 63.004 63.200 -0.004 0.000 0.772 211 S HN 0.254 nan 8.310 nan 0.000 0.531 212 K N 2.186 122.594 120.400 0.014 0.000 2.110 212 K HA 0.398 4.718 4.320 0.001 0.000 0.263 212 K C -0.058 176.568 176.600 0.043 0.000 0.975 212 K CA -0.278 56.013 56.287 0.006 0.000 0.895 212 K CB 1.595 34.090 32.500 -0.009 0.000 1.060 212 K HN 0.203 nan 8.250 nan 0.000 0.448 213 S N 2.559 118.291 115.700 0.052 0.000 2.562 213 S HA 0.104 4.575 4.470 0.001 0.000 0.281 213 S C -1.460 173.281 174.600 0.235 0.000 1.333 213 S CA -1.047 57.227 58.200 0.125 0.000 1.052 213 S CB 0.396 63.681 63.200 0.143 0.000 0.884 213 S HN 0.345 nan 8.310 nan 0.000 0.506 214 P HA 0.222 nan 4.420 nan 0.000 0.249 214 P C 0.807 178.282 177.300 0.291 0.000 1.229 214 P CA 0.708 63.960 63.100 0.254 0.000 0.788 214 P CB -0.713 31.083 31.700 0.161 0.000 1.072 215 G N -0.879 108.101 108.800 0.300 0.000 2.725 215 G HA2 0.244 4.205 3.960 0.001 0.000 0.220 215 G HA3 0.244 4.205 3.960 0.001 0.000 0.220 215 G C -0.303 174.612 174.900 0.025 0.000 1.357 215 G CA -0.613 44.482 45.100 -0.009 0.000 0.866 215 G HN 0.627 nan 8.290 nan 0.000 0.548 216 G N -2.682 106.136 108.800 0.029 0.000 2.349 216 G HA2 0.692 4.652 3.960 0.001 0.000 0.294 216 G HA3 0.692 4.652 3.960 0.001 0.000 0.294 216 G C 0.760 175.757 174.900 0.162 0.000 1.380 216 G CA 0.892 46.041 45.100 0.082 0.000 0.811 216 G HN 2.192 nan 8.290 nan 0.000 0.519 217 S N -1.176 114.613 115.700 0.149 0.000 2.527 217 S HA 0.072 4.542 4.470 0.001 0.000 0.222 217 S C 1.357 176.006 174.600 0.083 0.000 0.985 217 S CA 1.218 59.481 58.200 0.104 0.000 0.921 217 S CB 0.081 63.340 63.200 0.099 0.000 0.772 217 S HN 0.711 nan 8.310 nan 0.000 0.529 218 S N 1.791 117.543 115.700 0.086 0.000 3.122 218 S HA 0.337 4.807 4.470 0.001 0.000 0.249 218 S C 1.463 176.104 174.600 0.070 0.000 1.334 218 S CA 0.029 58.276 58.200 0.078 0.000 1.251 218 S CB -0.233 63.018 63.200 0.085 0.000 1.034 218 S HN 0.698 nan 8.310 nan 0.000 0.478 219 G N 1.759 110.600 108.800 0.067 0.000 2.430 219 G HA2 0.022 3.982 3.960 0.001 0.000 0.216 219 G HA3 0.022 3.982 3.960 0.001 0.000 0.216 219 G C 1.351 176.288 174.900 0.062 0.000 1.146 219 G CA 0.417 45.560 45.100 0.071 0.000 0.793 219 G HN 0.589 nan 8.290 nan 0.000 0.537 220 G N 0.825 109.649 108.800 0.041 0.000 2.418 220 G HA2 -0.150 3.811 3.960 0.001 0.000 0.217 220 G HA3 -0.150 3.811 3.960 0.001 0.000 0.217 220 G C 1.626 176.536 174.900 0.017 0.000 1.158 220 G CA 1.068 46.179 45.100 0.018 0.000 0.771 220 G HN 0.327 nan 8.290 nan 0.000 0.545 221 E N 0.736 120.949 120.200 0.022 0.000 2.058 221 E HA -0.111 4.239 4.350 0.001 0.000 0.194 221 E C 2.791 179.418 176.600 0.043 0.000 0.997 221 E CA 1.202 57.613 56.400 0.019 0.000 0.801 221 E CB -1.028 28.688 29.700 0.025 0.000 0.746 221 E HN 0.342 nan 8.360 nan 0.000 0.450 222 G N 1.160 109.999 108.800 0.066 0.000 2.446 222 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 222 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 222 G C 1.756 176.725 174.900 0.114 0.000 1.168 222 G CA 1.678 46.836 45.100 0.097 0.000 0.771 222 G HN 0.413 nan 8.290 nan 0.000 0.551 223 A N 0.135 123.015 122.820 0.100 0.000 1.898 223 A HA 0.117 4.438 4.320 0.001 0.000 0.216 223 A C 2.363 179.987 177.584 0.066 0.000 1.181 223 A CA 1.693 53.788 52.037 0.097 0.000 0.620 223 A CB -0.409 18.635 19.000 0.074 0.000 0.819 223 A HN 0.432 nan 8.150 nan 0.000 0.442 224 L N 0.013 121.264 121.223 0.047 0.000 2.005 224 L HA -0.042 4.298 4.340 0.001 0.000 0.207 224 L C 2.247 179.157 176.870 0.066 0.000 1.072 224 L CA 1.779 56.643 54.840 0.041 0.000 0.744 224 L CB -0.447 41.620 42.059 0.014 0.000 0.895 224 L HN 0.424 nan 8.230 nan 0.000 0.433 225 I N -0.430 120.179 120.570 0.065 0.000 2.286 225 I HA -0.188 3.982 4.170 0.001 0.000 0.248 225 I C 2.358 178.529 176.117 0.091 0.000 1.115 225 I CA 1.249 62.594 61.300 0.075 0.000 1.392 225 I CB -1.089 36.945 38.000 0.057 0.000 1.065 225 I HN 0.429 nan 8.210 nan 0.000 0.418 226 G N 0.080 108.945 108.800 0.109 0.000 2.559 226 G HA2 -0.184 3.777 3.960 0.001 0.000 0.216 226 G HA3 -0.184 3.777 3.960 0.001 0.000 0.216 226 G C 1.496 176.430 174.900 0.056 0.000 1.126 226 G CA 1.000 46.190 45.100 0.150 0.000 0.778 226 G HN 0.529 nan 8.290 nan 0.000 0.543 227 S N -1.952 113.760 115.700 0.021 0.000 2.559 227 S HA 0.443 4.913 4.470 0.001 0.000 0.226 227 S C 1.485 176.077 174.600 -0.014 0.000 1.000 227 S CA 0.820 58.991 58.200 -0.049 0.000 0.948 227 S CB 0.522 63.689 63.200 -0.055 0.000 0.870 227 S HN 1.374 nan 8.310 nan 0.000 0.497 228 G N 0.449 109.277 108.800 0.046 0.000 2.159 228 G HA2 -0.147 3.813 3.960 0.001 0.000 0.227 228 G HA3 -0.147 3.813 3.960 0.001 0.000 0.227 228 G C 0.778 175.783 174.900 0.174 0.000 0.986 228 G CA -0.091 45.061 45.100 0.087 0.000 0.651 228 G HN 1.025 nan 8.290 nan 0.000 0.523 229 G N -0.639 108.266 108.800 0.175 0.000 2.985 229 G HA2 0.476 4.436 3.960 0.001 0.000 0.209 229 G HA3 0.476 4.436 3.960 0.001 0.000 0.209 229 G C 0.405 175.535 174.900 0.384 0.000 1.165 229 G CA 1.429 46.680 45.100 0.251 0.000 0.776 229 G HN 1.574 nan 8.290 nan 0.000 0.541 230 S N -0.463 115.400 115.700 0.271 0.000 2.563 230 S HA 0.504 4.975 4.470 0.001 0.000 0.279 230 S C -2.451 172.099 174.600 -0.084 0.000 1.155 230 S CA -0.826 57.407 58.200 0.056 0.000 0.928 230 S CB 2.379 65.657 63.200 0.129 0.000 1.107 230 S HN -0.097 nan 8.310 nan 0.000 0.462 231 P HA 0.268 nan 4.420 nan 0.000 0.240 231 P C -0.185 177.046 177.300 -0.114 0.000 1.190 231 P CA 0.179 63.158 63.100 -0.202 0.000 0.781 231 P CB 0.075 31.573 31.700 -0.338 0.000 0.931 232 L N -1.028 120.127 121.223 -0.114 0.000 2.592 232 L HA 0.766 5.106 4.340 0.001 0.000 0.258 232 L C -1.249 175.574 176.870 -0.078 0.000 0.926 232 L CA -0.509 54.280 54.840 -0.085 0.000 0.885 232 L CB 1.786 43.784 42.059 -0.101 0.000 1.380 232 L HN -0.019 nan 8.230 nan 0.000 0.415 233 G N 3.751 112.503 108.800 -0.080 0.000 2.672 233 G HA2 0.692 4.652 3.960 0.001 0.000 0.292 233 G HA3 0.692 4.652 3.960 0.001 0.000 0.292 233 G C -2.051 172.765 174.900 -0.139 0.000 1.375 233 G CA -0.756 44.281 45.100 -0.106 0.000 0.890 233 G HN 0.636 nan 8.290 nan 0.000 0.476 234 L N 0.485 121.569 121.223 -0.232 0.000 2.346 234 L HA 0.778 5.119 4.340 0.001 0.000 0.276 234 L C 0.679 177.507 176.870 -0.070 0.000 1.006 234 L CA -0.692 53.969 54.840 -0.299 0.000 0.817 234 L CB 2.105 43.669 42.059 -0.825 0.000 1.272 234 L HN 0.770 nan 8.230 nan 0.000 0.421 235 G N 0.510 109.395 108.800 0.141 0.000 3.015 235 G HA2 0.776 4.737 3.960 0.001 0.000 0.281 235 G HA3 0.776 4.737 3.960 0.001 0.000 0.281 235 G C -0.940 174.150 174.900 0.317 0.000 1.386 235 G CA -0.307 44.963 45.100 0.283 0.000 0.959 235 G HN 0.518 nan 8.290 nan 0.000 0.522 236 T N -2.309 112.343 114.554 0.163 0.000 2.887 236 T HA 0.700 5.050 4.350 0.001 0.000 0.292 236 T C -1.865 172.850 174.700 0.025 0.000 1.087 236 T CA -0.752 61.385 62.100 0.060 0.000 1.009 236 T CB 2.699 71.530 68.868 -0.062 0.000 1.203 236 T HN 0.536 nan 8.240 nan 0.000 0.518 237 D N 0.180 120.575 120.400 -0.008 0.000 2.738 237 D HA 0.314 4.954 4.640 0.001 0.000 0.218 237 D C -0.435 175.839 176.300 -0.044 0.000 1.345 237 D CA -0.494 53.500 54.000 -0.010 0.000 0.943 237 D CB 1.979 42.778 40.800 -0.002 0.000 1.514 237 D HN 0.620 nan 8.370 nan 0.000 0.585 238 I N 1.728 122.260 120.570 -0.063 0.000 4.323 238 I HA 0.288 4.458 4.170 0.001 0.000 0.328 238 I C 1.246 177.336 176.117 -0.045 0.000 1.310 238 I CA 0.203 61.443 61.300 -0.100 0.000 1.186 238 I CB 0.892 38.755 38.000 -0.227 0.000 1.130 238 I HN 0.483 nan 8.210 nan 0.000 0.411 239 G N -0.690 108.126 108.800 0.027 0.000 4.213 239 G HA2 0.394 4.355 3.960 0.001 0.000 0.274 239 G HA3 0.394 4.355 3.960 0.001 0.000 0.274 239 G C 0.739 175.696 174.900 0.095 0.000 1.033 239 G CA 0.475 45.628 45.100 0.088 0.000 0.822 239 G HN 0.370 nan 8.290 nan 0.000 0.432 240 G N -0.167 108.639 108.800 0.008 0.000 2.559 240 G HA2 -0.169 3.792 3.960 0.001 0.000 0.202 240 G HA3 -0.169 3.792 3.960 0.001 0.000 0.202 240 G C 1.111 175.973 174.900 -0.064 0.000 0.992 240 G CA 0.559 45.501 45.100 -0.264 0.000 0.764 240 G HN 0.275 nan 8.290 nan 0.000 0.525 241 S N -0.079 115.691 115.700 0.118 0.000 2.500 241 S HA 0.129 4.599 4.470 0.001 0.000 0.239 241 S C 2.082 176.735 174.600 0.087 0.000 0.989 241 S CA 1.102 59.401 58.200 0.165 0.000 0.951 241 S CB -0.073 63.198 63.200 0.118 0.000 0.759 241 S HN 0.535 nan 8.310 nan 0.000 0.523 242 I N 0.156 120.741 120.570 0.024 0.000 2.927 242 I HA 0.034 4.205 4.170 0.001 0.000 0.268 242 I C 2.376 178.476 176.117 -0.028 0.000 1.153 242 I CA 0.497 61.805 61.300 0.014 0.000 1.459 242 I CB 0.049 38.056 38.000 0.012 0.000 1.149 242 I HN 0.104 nan 8.210 nan 0.000 0.443 243 R N 0.017 120.448 120.500 -0.114 0.000 2.075 243 R HA -0.018 4.323 4.340 0.001 0.000 0.226 243 R C 2.207 178.381 176.300 -0.210 0.000 1.114 243 R CA 1.183 57.175 56.100 -0.181 0.000 0.972 243 R CB -0.326 29.818 30.300 -0.260 0.000 0.869 243 R HN 0.103 nan 8.270 nan 0.000 0.437 244 F N 1.457 121.291 119.950 -0.194 0.000 2.043 244 F HA -0.153 4.375 4.527 0.000 0.000 0.297 244 F C -0.558 174.952 175.800 -0.484 0.000 1.121 244 F CA 1.304 59.023 58.000 -0.468 0.000 1.199 244 F CB -1.593 37.104 39.000 -0.505 0.000 0.968 244 F HN 0.049 nan 8.300 nan 0.000 0.478 245 P HA -0.059 nan 4.420 nan 0.000 0.219 245 P C 1.621 178.970 177.300 0.080 0.000 1.150 245 P CA 1.599 64.713 63.100 0.023 0.000 0.814 245 P CB -0.061 31.676 31.700 0.062 0.000 0.787 246 S N 0.607 116.336 115.700 0.048 0.000 2.348 246 S HA -0.127 4.343 4.470 0.001 0.000 0.221 246 S C 2.246 176.899 174.600 0.087 0.000 1.033 246 S CA 1.605 59.842 58.200 0.061 0.000 1.010 246 S CB -1.118 62.096 63.200 0.023 0.000 0.891 246 S HN 0.190 nan 8.310 nan 0.000 0.442 247 A N 1.225 124.094 122.820 0.083 0.000 1.877 247 A HA -0.038 4.282 4.320 0.001 0.000 0.216 247 A C 1.846 179.591 177.584 0.267 0.000 1.186 247 A CA 1.371 53.494 52.037 0.143 0.000 0.620 247 A CB -0.842 18.255 19.000 0.160 0.000 0.822 247 A HN 0.440 nan 8.150 nan 0.000 0.443 248 F N -0.434 119.544 119.950 0.047 0.000 2.234 248 F HA -0.117 4.410 4.527 0.000 0.000 0.299 248 F C 2.268 178.048 175.800 -0.034 0.000 1.087 248 F CA 0.126 58.136 58.000 0.016 0.000 1.340 248 F CB -1.076 37.977 39.000 0.089 0.000 1.031 248 F HN 0.232 nan 8.300 nan 0.000 0.500 249 C N -0.625 118.822 119.300 0.245 0.000 2.906 249 C HA 0.518 4.978 4.460 0.001 0.000 0.274 249 C C 1.660 176.832 174.990 0.302 0.000 1.257 249 C CA 0.179 59.367 59.018 0.282 0.000 1.695 249 C CB -0.948 26.971 27.740 0.299 0.000 1.958 249 C HN 0.696 nan 8.230 nan 0.000 0.619 250 G N 2.318 111.181 108.800 0.106 0.000 2.272 250 G HA2 -0.228 3.733 3.960 0.001 0.000 0.280 250 G HA3 -0.228 3.733 3.960 0.001 0.000 0.280 250 G C -0.174 174.825 174.900 0.166 0.000 1.067 250 G CA 0.748 45.906 45.100 0.096 0.000 0.902 250 G HN 0.788 nan 8.290 nan 0.000 0.500 251 I N -3.952 116.694 120.570 0.127 0.000 3.294 251 I HA 0.827 4.997 4.170 0.001 0.000 0.311 251 I C 0.378 176.529 176.117 0.057 0.000 1.111 251 I CA -1.676 59.684 61.300 0.100 0.000 0.976 251 I CB 1.716 39.779 38.000 0.105 0.000 1.260 251 I HN 0.042 nan 8.210 nan 0.000 0.474 252 C N 1.455 120.780 119.300 0.041 0.000 2.370 252 C HA 0.898 5.358 4.460 0.001 0.000 0.354 252 C C 0.572 175.570 174.990 0.013 0.000 1.218 252 C CA -0.040 58.989 59.018 0.018 0.000 2.154 252 C CB 0.245 27.993 27.740 0.014 0.000 2.391 252 C HN 0.976 nan 8.230 nan 0.000 0.540 253 G N 1.344 110.145 108.800 0.001 0.000 2.706 253 G HA2 0.640 4.601 3.960 0.001 0.000 0.297 253 G HA3 0.640 4.601 3.960 0.001 0.000 0.297 253 G C -2.048 172.848 174.900 -0.006 0.000 1.403 253 G CA -0.330 44.769 45.100 -0.001 0.000 0.954 253 G HN 0.665 nan 8.290 nan 0.000 0.500 254 L N 0.709 121.933 121.223 0.002 0.000 2.409 254 L HA 0.697 5.038 4.340 0.001 0.000 0.272 254 L C -0.353 176.525 176.870 0.014 0.000 0.980 254 L CA -0.847 53.998 54.840 0.008 0.000 0.826 254 L CB 1.963 44.035 42.059 0.021 0.000 1.268 254 L HN 0.452 nan 8.230 nan 0.000 0.407 255 K N 6.877 127.282 120.400 0.009 0.000 2.299 255 K HA 0.533 4.854 4.320 0.001 0.000 0.268 255 K C -2.594 174.014 176.600 0.014 0.000 1.075 255 K CA -1.718 54.578 56.287 0.013 0.000 0.936 255 K CB 1.164 33.667 32.500 0.004 0.000 1.228 255 K HN 0.369 nan 8.250 nan 0.000 0.454 256 P HA 0.030 nan 4.420 nan 0.000 0.274 256 P C -0.681 176.585 177.300 -0.055 0.000 1.260 256 P CA -0.286 62.815 63.100 0.002 0.000 0.793 256 P CB 0.367 32.090 31.700 0.038 0.000 1.048 257 T N 0.605 115.069 114.554 -0.150 0.000 2.939 257 T HA 0.028 4.378 4.350 0.001 0.000 0.312 257 T C 1.905 176.472 174.700 -0.221 0.000 1.064 257 T CA 0.862 62.770 62.100 -0.320 0.000 1.136 257 T CB -0.048 68.346 68.868 -0.789 0.000 1.035 257 T HN 0.596 nan 8.240 nan 0.000 0.538 258 G N 2.063 110.753 108.800 -0.183 0.000 2.469 258 G HA2 -0.268 3.692 3.960 0.001 0.000 0.219 258 G HA3 -0.268 3.692 3.960 0.001 0.000 0.219 258 G C 1.299 176.190 174.900 -0.014 0.000 1.150 258 G CA 0.570 45.625 45.100 -0.075 0.000 0.763 258 G HN 0.674 nan 8.290 nan 0.000 0.561 259 N N -0.484 118.210 118.700 -0.009 0.000 2.295 259 N HA 0.106 4.846 4.740 0.001 0.000 0.221 259 N C 1.725 177.430 175.510 0.326 0.000 1.129 259 N CA -0.173 52.983 53.050 0.177 0.000 0.836 259 N CB 0.028 38.680 38.487 0.275 0.000 1.040 259 N HN 0.185 nan 8.380 nan 0.000 0.494 260 R N -0.416 120.226 120.500 0.236 0.000 2.115 260 R HA 0.231 4.572 4.340 0.001 0.000 0.226 260 R C -0.083 176.391 176.300 0.290 0.000 1.100 260 R CA 1.122 57.438 56.100 0.361 0.000 0.980 260 R CB 0.115 30.566 30.300 0.251 0.000 0.875 260 R HN 0.191 nan 8.270 nan 0.000 0.445 261 L N -0.619 120.727 121.223 0.205 0.000 2.323 261 L HA 0.389 4.729 4.340 0.001 0.000 0.265 261 L C -0.307 176.659 176.870 0.162 0.000 1.012 261 L CA -1.124 53.823 54.840 0.179 0.000 0.820 261 L CB 1.901 44.044 42.059 0.141 0.000 1.334 261 L HN -0.086 nan 8.230 nan 0.000 0.427 262 S N 0.339 116.129 115.700 0.150 0.000 2.528 262 S HA 0.164 4.634 4.470 0.001 0.000 0.277 262 S C 0.507 175.178 174.600 0.118 0.000 1.297 262 S CA -0.285 57.994 58.200 0.132 0.000 1.052 262 S CB 0.396 63.668 63.200 0.119 0.000 0.917 262 S HN 0.601 nan 8.310 nan 0.000 0.492 263 K N 2.769 123.225 120.400 0.092 0.000 2.410 263 K HA 0.126 4.446 4.320 0.001 0.000 0.200 263 K C 0.342 176.975 176.600 0.056 0.000 1.023 263 K CA -0.117 56.206 56.287 0.060 0.000 1.149 263 K CB 0.398 32.918 32.500 0.033 0.000 0.859 263 K HN 0.487 nan 8.250 nan 0.000 0.514 264 S N 0.347 116.090 115.700 0.070 0.000 2.498 264 S HA 0.237 4.707 4.470 0.001 0.000 0.281 264 S C 1.187 175.820 174.600 0.056 0.000 1.265 264 S CA 0.917 59.153 58.200 0.060 0.000 1.071 264 S CB 0.224 63.461 63.200 0.060 0.000 0.894 264 S HN 0.670 nan 8.310 nan 0.000 0.491 265 G N 3.577 112.405 108.800 0.046 0.000 2.195 265 G HA2 -0.207 3.753 3.960 0.001 0.000 0.246 265 G HA3 -0.207 3.753 3.960 0.001 0.000 0.246 265 G C -0.083 174.843 174.900 0.043 0.000 0.984 265 G CA 0.031 45.158 45.100 0.045 0.000 0.633 265 G HN 0.692 nan 8.290 nan 0.000 0.525 266 L N 0.800 122.033 121.223 0.016 0.000 2.461 266 L HA 0.561 4.902 4.340 0.001 0.000 0.272 266 L C 0.795 177.664 176.870 -0.002 0.000 1.197 266 L CA -0.035 54.767 54.840 -0.064 0.000 0.836 266 L CB 0.905 42.863 42.059 -0.169 0.000 1.105 266 L HN 0.260 nan 8.230 nan 0.000 0.477 267 K N 1.454 121.833 120.400 -0.034 0.000 2.276 267 K HA 0.614 4.934 4.320 0.001 0.000 0.283 267 K C -0.108 176.473 176.600 -0.032 0.000 1.044 267 K CA 0.151 56.453 56.287 0.025 0.000 0.944 267 K CB 0.910 33.410 32.500 -0.000 0.000 1.012 267 K HN 0.689 nan 8.250 nan 0.000 0.472 268 G N 0.910 109.707 108.800 -0.005 0.000 3.105 268 G HA2 0.376 4.336 3.960 0.001 0.000 0.277 268 G HA3 0.376 4.336 3.960 0.001 0.000 0.277 268 G C -0.107 174.583 174.900 -0.350 0.000 1.375 268 G CA -0.270 44.663 45.100 -0.278 0.000 0.962 268 G HN 0.846 nan 8.290 nan 0.000 0.541 269 C N -2.051 117.007 119.300 -0.402 0.000 3.730 269 C HA 0.642 5.102 4.460 0.001 0.000 0.397 269 C C 0.066 174.940 174.990 -0.194 0.000 1.468 269 C CA -0.445 58.446 59.018 -0.212 0.000 1.931 269 C CB -0.414 27.315 27.740 -0.019 0.000 2.773 269 C HN 0.385 nan 8.230 nan 0.000 0.692 270 V N 1.433 121.133 119.914 -0.356 0.000 2.656 270 V HA 0.559 4.680 4.120 0.001 0.000 0.307 270 V C -1.542 174.332 176.094 -0.367 0.000 1.051 270 V CA -0.188 61.995 62.300 -0.195 0.000 0.893 270 V CB 1.597 33.385 31.823 -0.057 0.000 0.999 270 V HN 0.367 nan 8.190 nan 0.000 0.426 271 Y N 1.436 121.759 120.300 0.038 0.000 2.425 271 Y HA 0.669 5.220 4.550 0.000 0.000 0.344 271 Y C 1.016 176.930 175.900 0.025 0.000 0.969 271 Y CA 0.096 58.208 58.100 0.020 0.000 1.052 271 Y CB 2.230 40.702 38.460 0.019 0.000 1.215 271 Y HN 0.849 nan 8.280 nan 0.000 0.451 272 G N 1.520 110.430 108.800 0.183 0.000 2.176 272 G HA2 -0.250 3.711 3.960 0.001 0.000 0.253 272 G HA3 -0.250 3.711 3.960 0.001 0.000 0.253 272 G C 0.073 175.018 174.900 0.075 0.000 0.979 272 G CA -0.183 44.987 45.100 0.116 0.000 0.641 272 G HN 0.512 nan 8.290 nan 0.000 0.530 273 Q N 1.335 121.160 119.800 0.042 0.000 2.323 273 Q HA 0.457 4.798 4.340 0.001 0.000 0.257 273 Q C 1.257 177.257 176.000 -0.001 0.000 1.022 273 Q CA 0.968 56.776 55.803 0.008 0.000 0.919 273 Q CB 0.677 29.389 28.738 -0.042 0.000 1.220 273 Q HN 0.619 nan 8.270 nan 0.000 0.427 274 T N -0.165 114.400 114.554 0.018 0.000 3.043 274 T HA 0.302 4.653 4.350 0.001 0.000 0.272 274 T C 1.365 176.071 174.700 0.009 0.000 0.990 274 T CA 0.372 62.482 62.100 0.017 0.000 0.897 274 T CB 0.411 69.303 68.868 0.040 0.000 1.111 274 T HN 0.386 nan 8.240 nan 0.000 0.529 275 A N 1.642 124.465 122.820 0.005 0.000 1.883 275 A HA 0.272 4.592 4.320 0.001 0.000 0.217 275 A C 1.113 178.678 177.584 -0.032 0.000 1.186 275 A CA 1.104 53.139 52.037 -0.004 0.000 0.624 275 A CB -0.560 18.436 19.000 -0.007 0.000 0.822 275 A HN 0.469 nan 8.150 nan 0.000 0.444 276 V N 1.135 121.015 119.914 -0.056 0.000 2.326 276 V HA 0.237 4.357 4.120 0.001 0.000 0.281 276 V C -0.212 175.836 176.094 -0.077 0.000 1.015 276 V CA -0.542 61.714 62.300 -0.073 0.000 0.823 276 V CB 1.065 32.829 31.823 -0.098 0.000 1.009 276 V HN 0.540 nan 8.190 nan 0.000 0.436 277 Q N 2.384 122.149 119.800 -0.058 0.000 2.327 277 Q HA 0.392 4.732 4.340 0.001 0.000 0.254 277 Q C -0.455 175.504 176.000 -0.069 0.000 0.952 277 Q CA -0.681 55.091 55.803 -0.052 0.000 0.884 277 Q CB 1.744 30.465 28.738 -0.029 0.000 1.224 277 Q HN 0.638 nan 8.270 nan 0.000 0.422 278 L N 1.918 123.095 121.223 -0.078 0.000 2.439 278 L HA 0.194 4.534 4.340 0.001 0.000 0.269 278 L C -0.442 176.400 176.870 -0.046 0.000 1.179 278 L CA 0.842 55.631 54.840 -0.084 0.000 0.828 278 L CB 1.399 43.394 42.059 -0.107 0.000 1.106 278 L HN 0.506 nan 8.230 nan 0.000 0.467 279 S N 3.844 119.523 115.700 -0.035 0.000 2.542 279 S HA 0.797 5.268 4.470 0.001 0.000 0.293 279 S C -0.974 173.641 174.600 0.026 0.000 1.089 279 S CA -0.811 57.387 58.200 -0.004 0.000 0.961 279 S CB 1.109 64.303 63.200 -0.010 0.000 1.062 279 S HN 0.707 nan 8.310 nan 0.000 0.483 280 L N 2.017 123.282 121.223 0.070 0.000 2.333 280 L HA 1.129 5.469 4.340 0.001 0.000 0.269 280 L C 0.010 176.955 176.870 0.126 0.000 1.010 280 L CA -0.203 54.723 54.840 0.145 0.000 0.818 280 L CB 1.598 43.807 42.059 0.250 0.000 1.306 280 L HN 0.784 nan 8.230 nan 0.000 0.430 281 G N 0.755 109.631 108.800 0.126 0.000 2.550 281 G HA2 0.625 4.586 3.960 0.001 0.000 0.293 281 G HA3 0.625 4.586 3.960 0.001 0.000 0.293 281 G C -3.378 171.540 174.900 0.029 0.000 1.402 281 G CA -0.873 44.266 45.100 0.065 0.000 0.784 281 G HN 0.591 nan 8.290 nan 0.000 0.482 282 P HA 0.583 nan 4.420 nan 0.000 0.284 282 P C -0.961 176.329 177.300 -0.016 0.000 1.258 282 P CA -0.393 62.688 63.100 -0.032 0.000 0.824 282 P CB 1.773 33.444 31.700 -0.049 0.000 1.038 283 M N 1.287 120.873 119.600 -0.023 0.000 2.457 283 M HA 0.750 5.231 4.480 0.001 0.000 0.300 283 M C -0.503 175.791 176.300 -0.011 0.000 1.141 283 M CA -0.357 54.940 55.300 -0.005 0.000 0.901 283 M CB 2.738 35.343 32.600 0.009 0.000 1.687 283 M HN 0.516 nan 8.290 nan 0.000 0.449 284 A N 1.335 124.158 122.820 0.005 0.000 2.483 284 A HA 0.560 4.881 4.320 0.001 0.000 0.294 284 A C -0.437 177.164 177.584 0.028 0.000 1.077 284 A CA -0.772 51.268 52.037 0.005 0.000 0.633 284 A CB 1.159 20.150 19.000 -0.014 0.000 1.318 284 A HN 0.892 nan 8.150 nan 0.000 0.455 285 R N -0.270 120.251 120.500 0.035 0.000 2.240 285 R HA 0.092 4.433 4.340 0.001 0.000 0.203 285 R C -0.559 175.770 176.300 0.048 0.000 1.011 285 R CA 1.559 57.691 56.100 0.054 0.000 1.007 285 R CB -0.066 30.271 30.300 0.062 0.000 0.911 285 R HN 0.833 nan 8.270 nan 0.000 0.468 286 D N -3.193 117.228 120.400 0.035 0.000 2.626 286 D HA 0.079 4.719 4.640 0.001 0.000 0.278 286 D C 0.564 176.884 176.300 0.033 0.000 1.211 286 D CA -0.765 53.257 54.000 0.037 0.000 0.903 286 D CB 0.829 41.654 40.800 0.042 0.000 1.408 286 D HN -0.337 nan 8.370 nan 0.000 0.454 287 V N -0.352 119.592 119.914 0.049 0.000 2.453 287 V HA -0.120 4.000 4.120 0.001 0.000 0.247 287 V C 2.229 178.369 176.094 0.077 0.000 1.048 287 V CA 1.950 64.290 62.300 0.067 0.000 1.049 287 V CB -0.754 31.130 31.823 0.102 0.000 0.672 287 V HN 0.707 nan 8.190 nan 0.000 0.457 288 E N 0.754 121.015 120.200 0.102 0.000 2.160 288 E HA -0.182 4.169 4.350 0.001 0.000 0.195 288 E C 2.296 178.893 176.600 -0.006 0.000 0.991 288 E CA 1.664 58.124 56.400 0.100 0.000 0.810 288 E CB -0.296 29.474 29.700 0.116 0.000 0.742 288 E HN 0.559 nan 8.360 nan 0.000 0.466 289 S N -0.105 115.589 115.700 -0.010 0.000 2.368 289 S HA -0.102 4.368 4.470 0.001 0.000 0.225 289 S C 1.848 176.398 174.600 -0.084 0.000 1.030 289 S CA 1.108 59.281 58.200 -0.046 0.000 0.999 289 S CB -0.268 62.915 63.200 -0.027 0.000 0.844 289 S HN 0.282 nan 8.310 nan 0.000 0.459 290 L N 1.181 122.363 121.223 -0.068 0.000 2.046 290 L HA -0.122 4.218 4.340 0.001 0.000 0.208 290 L C 2.849 179.617 176.870 -0.170 0.000 1.077 290 L CA 1.249 56.038 54.840 -0.085 0.000 0.747 290 L CB -0.896 41.141 42.059 -0.037 0.000 0.896 290 L HN 0.314 nan 8.230 nan 0.000 0.432 291 A N 0.381 123.053 122.820 -0.246 0.000 1.877 291 A HA -0.230 4.090 4.320 0.001 0.000 0.216 291 A C 2.248 179.450 177.584 -0.637 0.000 1.186 291 A CA 1.819 53.537 52.037 -0.531 0.000 0.620 291 A CB -0.731 17.766 19.000 -0.840 0.000 0.822 291 A HN 0.333 nan 8.150 nan 0.000 0.443 292 L N -0.250 120.749 121.223 -0.374 0.000 2.017 292 L HA -0.178 4.162 4.340 0.001 0.000 0.208 292 L C 2.556 179.258 176.870 -0.281 0.000 1.073 292 L CA 2.346 57.005 54.840 -0.302 0.000 0.745 292 L CB -1.096 40.868 42.059 -0.159 0.000 0.894 292 L HN 0.521 nan 8.230 nan 0.000 0.432 293 C N -0.931 118.238 119.300 -0.219 0.000 2.413 293 C HA -0.151 4.309 4.460 0.001 0.000 0.276 293 C C 2.735 177.612 174.990 -0.188 0.000 1.248 293 C CA 1.079 59.995 59.018 -0.171 0.000 1.742 293 C CB -1.122 26.541 27.740 -0.128 0.000 2.017 293 C HN 0.639 nan 8.230 nan 0.000 0.481 294 L N 1.195 122.271 121.223 -0.246 0.000 2.056 294 L HA -0.043 4.297 4.340 0.001 0.000 0.207 294 L C 2.583 179.302 176.870 -0.253 0.000 1.078 294 L CA 2.097 56.830 54.840 -0.178 0.000 0.749 294 L CB -0.820 41.187 42.059 -0.087 0.000 0.901 294 L HN 0.388 nan 8.230 nan 0.000 0.433 295 K N -0.777 119.268 120.400 -0.592 0.000 2.103 295 K HA -0.180 4.140 4.320 0.001 0.000 0.207 295 K C 1.947 178.432 176.600 -0.191 0.000 1.048 295 K CA 1.399 57.403 56.287 -0.472 0.000 0.930 295 K CB -0.116 31.995 32.500 -0.647 0.000 0.716 295 K HN 0.340 nan 8.250 nan 0.000 0.444 296 A N 0.769 123.480 122.820 -0.182 0.000 1.929 296 A HA -0.016 4.304 4.320 0.001 0.000 0.216 296 A C 2.028 179.553 177.584 -0.097 0.000 1.176 296 A CA 0.883 52.854 52.037 -0.110 0.000 0.628 296 A CB -0.371 18.570 19.000 -0.098 0.000 0.816 296 A HN 0.296 nan 8.150 nan 0.000 0.444 297 L N -0.712 120.449 121.223 -0.105 0.000 2.109 297 L HA 0.015 4.355 4.340 0.001 0.000 0.207 297 L C 0.619 177.387 176.870 -0.170 0.000 1.086 297 L CA 0.450 55.230 54.840 -0.100 0.000 0.760 297 L CB -0.333 41.690 42.059 -0.059 0.000 0.910 297 L HN 0.252 nan 8.230 nan 0.000 0.437 298 L N 1.503 122.650 121.223 -0.127 0.000 2.437 298 L HA 0.093 4.433 4.340 0.001 0.000 0.243 298 L C 0.034 176.694 176.870 -0.350 0.000 1.346 298 L CA -0.632 54.094 54.840 -0.191 0.000 1.233 298 L CB -0.690 41.483 42.059 0.190 0.000 1.436 298 L HN 0.390 nan 8.230 nan 0.000 0.416 299 C N -2.658 116.280 119.300 -0.604 0.000 2.973 299 C HA 0.478 4.938 4.460 0.001 0.000 0.329 299 C C 1.686 176.372 174.990 -0.507 0.000 1.327 299 C CA -0.825 57.969 59.018 -0.373 0.000 1.632 299 C CB 1.915 29.549 27.740 -0.177 0.000 2.098 299 C HN 0.549 nan 8.230 nan 0.000 0.469 300 E N 0.146 120.220 120.200 -0.210 0.000 2.130 300 E HA -0.189 4.162 4.350 0.001 0.000 0.196 300 E C 1.855 178.388 176.600 -0.111 0.000 0.998 300 E CA 2.016 58.367 56.400 -0.083 0.000 0.806 300 E CB -0.468 29.170 29.700 -0.104 0.000 0.738 300 E HN 0.775 nan 8.360 nan 0.000 0.459 301 H N -0.209 118.801 119.070 -0.100 0.000 2.289 301 H HA -0.167 4.389 4.556 -0.000 0.000 0.296 301 H C 2.308 177.576 175.328 -0.099 0.000 1.091 301 H CA 1.666 57.666 56.048 -0.080 0.000 1.274 301 H CB -0.752 28.959 29.762 -0.084 0.000 1.364 301 H HN 0.244 nan 8.280 nan 0.000 0.490 302 L N 0.081 121.252 121.223 -0.087 0.000 2.017 302 L HA -0.169 4.171 4.340 0.001 0.000 0.208 302 L C 2.110 178.976 176.870 -0.006 0.000 1.073 302 L CA 1.234 55.998 54.840 -0.126 0.000 0.745 302 L CB -0.350 41.532 42.059 -0.296 0.000 0.894 302 L HN -0.015 nan 8.230 nan 0.000 0.432 303 F N -0.397 119.586 119.950 0.054 0.000 2.293 303 F HA -0.124 4.404 4.527 0.001 0.000 0.300 303 F C 2.693 178.511 175.800 0.030 0.000 1.086 303 F CA 1.297 59.318 58.000 0.034 0.000 1.375 303 F CB -1.754 37.255 39.000 0.016 0.000 1.045 303 F HN 0.293 nan 8.300 nan 0.000 0.516 304 T N -2.519 112.146 114.554 0.185 0.000 3.009 304 T HA 0.001 4.352 4.350 0.001 0.000 0.258 304 T C 2.046 176.803 174.700 0.095 0.000 1.063 304 T CA 0.613 62.786 62.100 0.121 0.000 1.139 304 T CB -0.706 68.217 68.868 0.092 0.000 0.890 304 T HN 0.267 nan 8.240 nan 0.000 0.471 305 L N 0.763 122.040 121.223 0.090 0.000 2.156 305 L HA 0.160 4.500 4.340 0.001 0.000 0.208 305 L C 0.874 177.788 176.870 0.073 0.000 1.095 305 L CA 0.989 55.869 54.840 0.067 0.000 0.770 305 L CB -0.062 42.027 42.059 0.051 0.000 0.914 305 L HN 0.280 nan 8.230 nan 0.000 0.439 306 D N -1.277 119.184 120.400 0.100 0.000 2.400 306 D HA 0.191 4.832 4.640 0.001 0.000 0.272 306 D C -1.967 174.408 176.300 0.124 0.000 1.220 306 D CA -1.894 52.169 54.000 0.104 0.000 0.897 306 D CB 1.238 42.103 40.800 0.108 0.000 1.134 306 D HN -0.179 nan 8.370 nan 0.000 0.507 307 P HA -0.095 nan 4.420 nan 0.000 0.223 307 P C 1.315 178.648 177.300 0.056 0.000 1.144 307 P CA 1.105 64.249 63.100 0.073 0.000 0.783 307 P CB 0.126 31.854 31.700 0.047 0.000 0.771 308 T N -4.533 110.061 114.554 0.067 0.000 3.072 308 T HA 0.024 4.374 4.350 0.001 0.000 0.266 308 T C 0.724 175.468 174.700 0.074 0.000 1.127 308 T CA 0.226 62.361 62.100 0.059 0.000 1.107 308 T CB -0.791 68.115 68.868 0.063 0.000 0.910 308 T HN -0.180 nan 8.240 nan 0.000 0.513 309 V N 4.620 124.598 119.914 0.107 0.000 2.432 309 V HA 0.341 4.461 4.120 0.001 0.000 0.275 309 V C -2.070 174.039 176.094 0.024 0.000 1.043 309 V CA -2.302 60.081 62.300 0.138 0.000 0.925 309 V CB 1.070 33.043 31.823 0.250 0.000 0.985 309 V HN 0.314 nan 8.190 nan 0.000 0.466 310 P HA 0.133 nan 4.420 nan 0.000 0.264 310 P C -2.522 174.487 177.300 -0.485 0.000 1.193 310 P CA -1.413 61.528 63.100 -0.267 0.000 0.763 310 P CB 0.051 31.507 31.700 -0.407 0.000 0.810 311 P HA 0.179 nan 4.420 nan 0.000 0.225 311 P C -0.453 176.256 177.300 -0.985 0.000 1.813 311 P CA 0.043 62.178 63.100 -1.607 0.000 1.013 311 P CB -0.094 31.022 31.700 -0.973 0.000 1.961 312 L N 4.529 125.389 121.223 -0.605 0.000 2.268 312 L HA 0.340 4.680 4.340 0.001 0.000 0.289 312 L C -1.631 175.307 176.870 0.114 0.000 1.064 312 L CA -2.120 52.609 54.840 -0.184 0.000 0.824 312 L CB 0.754 42.758 42.059 -0.092 0.000 1.202 312 L HN 0.069 nan 8.230 nan 0.000 0.433 313 P HA -0.037 nan 4.420 nan 0.000 0.272 313 P C -0.513 176.925 177.300 0.231 0.000 1.230 313 P CA -0.427 62.839 63.100 0.278 0.000 0.788 313 P CB 0.632 32.446 31.700 0.190 0.000 0.949 314 F N 2.380 122.400 119.950 0.116 0.000 2.533 314 F HA 0.075 4.602 4.527 0.001 0.000 0.378 314 F C 1.077 176.920 175.800 0.071 0.000 1.070 314 F CA 0.053 58.099 58.000 0.076 0.000 1.172 314 F CB 0.178 39.200 39.000 0.036 0.000 1.085 314 F HN 0.129 nan 8.300 nan 0.000 0.552 315 R N 6.012 126.308 120.500 -0.339 0.000 2.419 315 R HA 0.038 4.378 4.340 0.001 0.000 0.305 315 R C 1.250 177.423 176.300 -0.212 0.000 1.242 315 R CA -0.307 55.676 56.100 -0.194 0.000 1.105 315 R CB 0.366 30.577 30.300 -0.149 0.000 1.116 315 R HN 0.725 nan 8.270 nan 0.000 0.523 316 E N 2.618 122.842 120.200 0.039 0.000 2.085 316 E HA -0.245 4.105 4.350 0.001 0.000 0.194 316 E C 1.701 178.379 176.600 0.129 0.000 0.994 316 E CA 1.487 58.009 56.400 0.204 0.000 0.801 316 E CB 0.296 30.144 29.700 0.246 0.000 0.743 316 E HN 0.612 nan 8.360 nan 0.000 0.453 317 E N 0.957 121.192 120.200 0.058 0.000 2.153 317 E HA -0.130 4.220 4.350 0.001 0.000 0.194 317 E C 2.186 178.794 176.600 0.013 0.000 0.988 317 E CA 0.988 57.408 56.400 0.034 0.000 0.811 317 E CB -0.566 29.145 29.700 0.018 0.000 0.746 317 E HN 0.117 nan 8.360 nan 0.000 0.466 318 V N 0.694 120.603 119.914 -0.007 0.000 2.323 318 V HA -0.227 3.893 4.120 0.001 0.000 0.244 318 V C 2.385 178.493 176.094 0.023 0.000 1.041 318 V CA 1.758 64.051 62.300 -0.013 0.000 1.025 318 V CB -0.978 30.817 31.823 -0.047 0.000 0.656 318 V HN 0.241 nan 8.190 nan 0.000 0.451 319 Y N 1.837 122.085 120.300 -0.086 0.000 2.207 319 Y HA -0.189 4.361 4.550 0.000 0.000 0.287 319 Y C 2.504 178.442 175.900 0.063 0.000 1.156 319 Y CA 1.588 59.690 58.100 0.002 0.000 1.182 319 Y CB -0.129 38.375 38.460 0.073 0.000 0.979 319 Y HN 0.080 nan 8.280 nan 0.000 0.521 320 R N 0.400 120.816 120.500 -0.141 0.000 2.299 320 R HA 0.052 4.392 4.340 0.001 0.000 0.197 320 R C 1.158 177.382 176.300 -0.127 0.000 0.971 320 R CA 0.620 56.600 56.100 -0.201 0.000 1.030 320 R CB -0.838 29.444 30.300 -0.031 0.000 0.932 320 R HN 0.246 nan 8.270 nan 0.000 0.477 321 S N 1.450 117.102 115.700 -0.080 0.000 2.563 321 S HA 0.002 4.472 4.470 0.001 0.000 0.284 321 S C 0.905 175.482 174.600 -0.038 0.000 1.331 321 S CA 0.119 58.294 58.200 -0.040 0.000 1.047 321 S CB 0.576 63.765 63.200 -0.018 0.000 0.859 321 S HN 0.383 nan 8.310 nan 0.000 0.514 322 S N 3.661 119.353 115.700 -0.013 0.000 2.843 322 S HA 0.367 4.837 4.470 0.001 0.000 0.249 322 S C -0.040 174.577 174.600 0.028 0.000 1.047 322 S CA -0.831 57.375 58.200 0.009 0.000 1.042 322 S CB 0.035 63.234 63.200 -0.002 0.000 0.936 322 S HN 0.735 nan 8.310 nan 0.000 0.531 323 R N 1.822 122.338 120.500 0.028 0.000 2.582 323 R HA 0.425 4.765 4.340 0.001 0.000 0.271 323 R C -2.715 173.627 176.300 0.070 0.000 1.078 323 R CA -1.656 54.460 56.100 0.027 0.000 1.127 323 R CB -0.384 29.925 30.300 0.014 0.000 1.038 323 R HN 0.197 nan 8.270 nan 0.000 0.500 324 P HA -0.041 nan 4.420 nan 0.000 0.264 324 P C -0.792 176.594 177.300 0.143 0.000 1.183 324 P CA 0.481 63.621 63.100 0.068 0.000 0.763 324 P CB 0.464 32.145 31.700 -0.033 0.000 0.807 325 L N 3.413 124.821 121.223 0.308 0.000 2.334 325 L HA 0.477 4.817 4.340 0.001 0.000 0.272 325 L C 0.925 177.781 176.870 -0.024 0.000 1.020 325 L CA -0.832 54.024 54.840 0.027 0.000 0.812 325 L CB 1.304 43.245 42.059 -0.196 0.000 1.264 325 L HN 0.193 nan 8.230 nan 0.000 0.439 326 R N 1.543 121.979 120.500 -0.105 0.000 2.196 326 R HA 0.403 4.744 4.340 0.001 0.000 0.340 326 R C -1.191 174.953 176.300 -0.259 0.000 1.043 326 R CA -0.417 55.602 56.100 -0.136 0.000 0.883 326 R CB 1.041 31.266 30.300 -0.125 0.000 1.078 326 R HN 0.293 nan 8.270 nan 0.000 0.462 327 V N 3.209 122.985 119.914 -0.230 0.000 2.313 327 V HA 0.321 4.441 4.120 0.001 0.000 0.278 327 V C 0.863 176.862 176.094 -0.158 0.000 1.017 327 V CA -0.898 61.218 62.300 -0.307 0.000 0.823 327 V CB 1.413 33.068 31.823 -0.281 0.000 1.010 327 V HN 0.904 nan 8.190 nan 0.000 0.443 328 G N 4.065 112.682 108.800 -0.305 0.000 2.527 328 G HA2 0.477 4.437 3.960 0.001 0.000 0.248 328 G HA3 0.477 4.437 3.960 0.001 0.000 0.248 328 G C -0.915 174.042 174.900 0.096 0.000 1.231 328 G CA -0.018 44.981 45.100 -0.169 0.000 0.838 328 G HN 0.998 nan 8.290 nan 0.000 0.570 329 Y N -0.459 119.908 120.300 0.112 0.000 2.592 329 Y HA 0.655 5.206 4.550 0.001 0.000 0.334 329 Y C -1.536 174.526 175.900 0.270 0.000 1.136 329 Y CA -2.145 56.020 58.100 0.107 0.000 1.042 329 Y CB 1.199 39.691 38.460 0.053 0.000 1.325 329 Y HN 0.848 nan 8.280 nan 0.000 0.457 330 Y N -0.397 119.998 120.300 0.158 0.000 2.534 330 Y HA 0.633 5.183 4.550 0.001 0.000 0.345 330 Y C -0.128 175.922 175.900 0.250 0.000 1.031 330 Y CA -1.323 56.832 58.100 0.092 0.000 1.022 330 Y CB 1.978 40.509 38.460 0.118 0.000 1.292 330 Y HN 0.735 nan 8.280 nan 0.000 0.459 331 E N 0.601 121.034 120.200 0.389 0.000 2.400 331 E HA 0.087 4.437 4.350 0.001 0.000 0.195 331 E C -0.074 176.743 176.600 0.362 0.000 1.012 331 E CA 0.858 57.444 56.400 0.310 0.000 0.875 331 E CB 0.693 30.554 29.700 0.267 0.000 0.859 331 E HN 0.630 nan 8.360 nan 0.000 0.498 332 T N 0.383 115.239 114.554 0.503 0.000 2.942 332 T HA 0.074 4.425 4.350 0.001 0.000 0.327 332 T C -1.245 173.798 174.700 0.572 0.000 1.360 332 T CA -0.777 61.680 62.100 0.596 0.000 1.055 332 T CB 1.509 70.665 68.868 0.480 0.000 1.261 332 T HN 0.002 nan 8.240 nan 0.000 0.485 333 D N 2.215 122.947 120.400 0.553 0.000 2.328 333 D HA 0.120 4.760 4.640 0.001 0.000 0.221 333 D C 0.595 176.949 176.300 0.090 0.000 1.072 333 D CA -0.138 53.947 54.000 0.142 0.000 0.850 333 D CB -0.833 39.934 40.800 -0.055 0.000 0.922 333 D HN 0.821 nan 8.370 nan 0.000 0.516 334 N N -1.694 117.084 118.700 0.130 0.000 2.708 334 N HA -0.321 4.419 4.740 0.001 0.000 0.251 334 N C -0.374 175.149 175.510 0.022 0.000 1.123 334 N CA 0.966 53.885 53.050 -0.217 0.000 0.739 334 N CB -1.253 37.088 38.487 -0.243 0.000 1.113 334 N HN 0.405 nan 8.380 nan 0.000 0.561 335 Y N -0.585 119.876 120.300 0.268 0.000 2.921 335 Y HA 0.215 4.765 4.550 0.001 0.000 0.246 335 Y C 0.422 176.676 175.900 0.590 0.000 1.030 335 Y CA 0.535 58.892 58.100 0.427 0.000 1.338 335 Y CB 0.892 39.471 38.460 0.199 0.000 1.493 335 Y HN -0.086 nan 8.280 nan 0.000 0.452 336 T N 3.771 118.640 114.554 0.525 0.000 2.762 336 T HA 0.248 4.598 4.350 0.001 0.000 0.303 336 T C -0.281 174.710 174.700 0.485 0.000 0.977 336 T CA -0.422 61.953 62.100 0.458 0.000 0.961 336 T CB 0.339 69.463 68.868 0.427 0.000 0.944 336 T HN 0.249 nan 8.240 nan 0.000 0.481 337 M N 6.905 126.558 119.600 0.088 0.000 2.284 337 M HA 0.128 4.609 4.480 0.001 0.000 0.351 337 M C -2.039 174.464 176.300 0.339 0.000 1.443 337 M CA -1.079 54.129 55.300 -0.155 0.000 1.031 337 M CB 0.588 32.691 32.600 -0.829 0.000 1.893 337 M HN 0.224 nan 8.290 nan 0.000 0.456 338 P HA 0.100 nan 4.420 nan 0.000 0.272 338 P C -0.930 176.539 177.300 0.282 0.000 1.223 338 P CA -0.319 62.955 63.100 0.289 0.000 0.784 338 P CB 0.472 32.285 31.700 0.188 0.000 0.923 339 S N 2.171 117.968 115.700 0.161 0.000 2.584 339 S HA 0.129 4.599 4.470 0.001 0.000 0.270 339 S C -1.643 173.012 174.600 0.091 0.000 1.346 339 S CA -0.729 57.525 58.200 0.089 0.000 1.018 339 S CB -0.553 62.621 63.200 -0.043 0.000 0.899 339 S HN 0.288 nan 8.310 nan 0.000 0.542 340 P HA -0.076 nan 4.420 nan 0.000 0.216 340 P C 1.540 178.856 177.300 0.027 0.000 1.150 340 P CA 1.901 65.038 63.100 0.061 0.000 0.837 340 P CB -0.251 31.480 31.700 0.053 0.000 0.786 341 A N -1.217 121.603 122.820 0.000 0.000 1.930 341 A HA -0.170 4.151 4.320 0.001 0.000 0.217 341 A C 2.200 179.771 177.584 -0.023 0.000 1.175 341 A CA 1.685 53.709 52.037 -0.021 0.000 0.627 341 A CB -1.392 17.580 19.000 -0.048 0.000 0.815 341 A HN 0.100 nan 8.150 nan 0.000 0.443 342 M N -1.313 118.275 119.600 -0.021 0.000 2.108 342 M HA -0.164 4.316 4.480 0.001 0.000 0.261 342 M C 2.420 178.708 176.300 -0.019 0.000 1.066 342 M CA 1.908 57.186 55.300 -0.037 0.000 1.107 342 M CB -0.259 32.311 32.600 -0.050 0.000 1.356 342 M HN 0.462 nan 8.290 nan 0.000 0.406 343 R N 0.086 120.599 120.500 0.021 0.000 2.075 343 R HA -0.133 4.208 4.340 0.001 0.000 0.232 343 R C 2.307 178.626 176.300 0.033 0.000 1.126 343 R CA 1.476 57.605 56.100 0.048 0.000 0.963 343 R CB -0.160 30.191 30.300 0.084 0.000 0.858 343 R HN 0.271 nan 8.270 nan 0.000 0.435 344 R N 0.099 120.611 120.500 0.020 0.000 2.073 344 R HA -0.125 4.215 4.340 0.001 0.000 0.234 344 R C 2.139 178.434 176.300 -0.007 0.000 1.134 344 R CA 1.627 57.732 56.100 0.009 0.000 0.952 344 R CB -0.333 29.969 30.300 0.003 0.000 0.850 344 R HN 0.289 nan 8.270 nan 0.000 0.433 345 A N 1.697 124.505 122.820 -0.020 0.000 1.883 345 A HA -0.195 4.125 4.320 0.001 0.000 0.217 345 A C 2.135 179.697 177.584 -0.036 0.000 1.186 345 A CA 1.401 53.418 52.037 -0.034 0.000 0.624 345 A CB -0.812 18.159 19.000 -0.048 0.000 0.822 345 A HN 0.420 nan 8.150 nan 0.000 0.444 346 L N -0.056 121.150 121.223 -0.028 0.000 1.994 346 L HA -0.145 4.195 4.340 0.001 0.000 0.208 346 L C 2.354 179.213 176.870 -0.019 0.000 1.071 346 L CA 2.197 57.024 54.840 -0.020 0.000 0.745 346 L CB -0.955 41.108 42.059 0.007 0.000 0.892 346 L HN 0.481 nan 8.230 nan 0.000 0.431 347 I N 0.037 120.605 120.570 -0.003 0.000 2.226 347 I HA -0.295 3.875 4.170 0.001 0.000 0.245 347 I C 2.483 178.575 176.117 -0.042 0.000 1.100 347 I CA 1.130 62.418 61.300 -0.020 0.000 1.374 347 I CB -0.193 37.814 38.000 0.012 0.000 1.057 347 I HN 0.333 nan 8.210 nan 0.000 0.413 348 E N 0.214 120.397 120.200 -0.028 0.000 2.110 348 E HA -0.177 4.173 4.350 0.001 0.000 0.193 348 E C 2.146 178.724 176.600 -0.037 0.000 0.988 348 E CA 1.793 58.176 56.400 -0.028 0.000 0.804 348 E CB -0.136 29.552 29.700 -0.020 0.000 0.745 348 E HN 0.471 nan 8.360 nan 0.000 0.458 349 T N 1.386 115.913 114.554 -0.044 0.000 2.746 349 T HA -0.185 4.165 4.350 0.001 0.000 0.267 349 T C 1.821 176.491 174.700 -0.049 0.000 1.039 349 T CA 1.409 63.482 62.100 -0.046 0.000 1.142 349 T CB -0.134 68.698 68.868 -0.060 0.000 0.866 349 T HN 0.158 nan 8.240 nan 0.000 0.444 350 K N 1.049 121.393 120.400 -0.093 0.000 2.032 350 K HA -0.210 4.110 4.320 0.001 0.000 0.209 350 K C 2.299 178.825 176.600 -0.123 0.000 1.048 350 K CA 1.571 57.753 56.287 -0.174 0.000 0.927 350 K CB -0.144 32.120 32.500 -0.392 0.000 0.712 350 K HN 0.398 nan 8.250 nan 0.000 0.441 351 Q N -0.165 119.581 119.800 -0.091 0.000 2.079 351 Q HA -0.084 4.257 4.340 0.001 0.000 0.200 351 Q C 2.314 178.301 176.000 -0.021 0.000 0.974 351 Q CA 1.206 56.976 55.803 -0.054 0.000 0.840 351 Q CB -0.003 28.711 28.738 -0.040 0.000 0.898 351 Q HN 0.291 nan 8.270 nan 0.000 0.430 352 R N 0.336 120.830 120.500 -0.010 0.000 2.092 352 R HA -0.058 4.282 4.340 0.001 0.000 0.231 352 R C 2.309 178.641 176.300 0.054 0.000 1.119 352 R CA 0.796 56.904 56.100 0.014 0.000 0.970 352 R CB -0.291 30.015 30.300 0.010 0.000 0.864 352 R HN 0.278 nan 8.270 nan 0.000 0.440 353 L N 0.770 122.036 121.223 0.070 0.000 2.017 353 L HA -0.197 4.144 4.340 0.001 0.000 0.208 353 L C 2.330 179.303 176.870 0.173 0.000 1.073 353 L CA 1.566 56.514 54.840 0.181 0.000 0.745 353 L CB -0.433 41.702 42.059 0.127 0.000 0.894 353 L HN 0.203 nan 8.230 nan 0.000 0.432 354 E N 0.066 120.303 120.200 0.061 0.000 2.058 354 E HA -0.266 4.084 4.350 0.001 0.000 0.194 354 E C 2.249 178.852 176.600 0.005 0.000 0.997 354 E CA 1.262 57.677 56.400 0.025 0.000 0.801 354 E CB -0.257 29.436 29.700 -0.012 0.000 0.746 354 E HN 0.518 nan 8.360 nan 0.000 0.450 355 A N 1.114 123.938 122.820 0.006 0.000 2.076 355 A HA -0.069 4.252 4.320 0.001 0.000 0.220 355 A C 2.175 179.749 177.584 -0.018 0.000 1.160 355 A CA 1.495 53.529 52.037 -0.005 0.000 0.653 355 A CB -0.321 18.678 19.000 -0.000 0.000 0.801 355 A HN 0.265 nan 8.150 nan 0.000 0.455 356 A N -1.954 120.861 122.820 -0.007 0.000 2.307 356 A HA 0.448 4.768 4.320 0.001 0.000 0.218 356 A C 1.590 179.031 177.584 -0.239 0.000 1.228 356 A CA 1.025 53.026 52.037 -0.060 0.000 0.857 356 A CB -0.814 18.210 19.000 0.041 0.000 0.897 356 A HN 1.814 nan 8.150 nan 0.000 0.495 357 G N -1.041 107.640 108.800 -0.198 0.000 2.157 357 G HA2 -0.184 3.777 3.960 0.001 0.000 0.239 357 G HA3 -0.184 3.777 3.960 0.001 0.000 0.239 357 G C 0.028 174.752 174.900 -0.294 0.000 0.982 357 G CA 0.132 45.093 45.100 -0.232 0.000 0.650 357 G HN 0.644 nan 8.290 nan 0.000 0.527 358 H N 0.447 119.508 119.070 -0.016 0.000 2.488 358 H HA 0.536 5.092 4.556 0.000 0.000 0.347 358 H C 0.006 175.314 175.328 -0.033 0.000 1.174 358 H CA 0.588 56.618 56.048 -0.029 0.000 1.307 358 H CB 1.177 30.924 29.762 -0.025 0.000 1.517 358 H HN 0.110 nan 8.280 nan 0.000 0.554 359 T N 3.888 118.491 114.554 0.082 0.000 2.749 359 T HA 0.232 4.582 4.350 0.001 0.000 0.287 359 T C 0.304 175.024 174.700 0.033 0.000 0.970 359 T CA -0.735 61.386 62.100 0.036 0.000 0.980 359 T CB 0.440 69.315 68.868 0.012 0.000 0.924 359 T HN 0.110 nan 8.240 nan 0.000 0.456 360 L N 4.820 126.074 121.223 0.052 0.000 2.272 360 L HA 0.554 4.894 4.340 0.001 0.000 0.289 360 L C -0.295 176.724 176.870 0.248 0.000 1.032 360 L CA -0.401 54.500 54.840 0.101 0.000 0.810 360 L CB 1.037 43.068 42.059 -0.048 0.000 1.205 360 L HN 0.666 nan 8.230 nan 0.000 0.422 361 I N 5.802 126.542 120.570 0.284 0.000 2.410 361 I HA 0.320 4.490 4.170 0.001 0.000 0.286 361 I C -2.186 173.988 176.117 0.096 0.000 1.009 361 I CA -1.899 59.508 61.300 0.179 0.000 1.111 361 I CB 2.127 40.153 38.000 0.043 0.000 1.262 361 I HN 0.330 nan 8.210 nan 0.000 0.443 362 P HA 0.127 nan 4.420 nan 0.000 0.265 362 P C -1.061 176.217 177.300 -0.037 0.000 1.193 362 P CA 0.249 63.146 63.100 -0.338 0.000 0.765 362 P CB 0.243 31.831 31.700 -0.187 0.000 0.823 363 F N 4.407 124.234 119.950 -0.206 0.000 2.639 363 F HA 0.504 5.031 4.527 0.001 0.000 0.326 363 F C -2.239 173.575 175.800 0.023 0.000 1.150 363 F CA -0.861 57.099 58.000 -0.067 0.000 1.057 363 F CB 1.132 40.094 39.000 -0.063 0.000 1.300 363 F HN 0.087 nan 8.300 nan 0.000 0.486 364 L N 8.364 129.267 121.223 -0.534 0.000 2.409 364 L HA 0.730 5.071 4.340 0.001 0.000 0.272 364 L C -2.633 173.877 176.870 -0.599 0.000 0.980 364 L CA -1.971 52.577 54.840 -0.487 0.000 0.826 364 L CB 1.956 43.767 42.059 -0.414 0.000 1.268 364 L HN 0.332 nan 8.230 nan 0.000 0.407 365 P HA 0.098 nan 4.420 nan 0.000 0.264 365 P C -1.197 176.020 177.300 -0.139 0.000 1.183 365 P CA 0.120 63.130 63.100 -0.149 0.000 0.763 365 P CB 0.174 31.904 31.700 0.049 0.000 0.807 366 N N 1.848 120.502 118.700 -0.077 0.000 2.444 366 N HA 0.022 4.763 4.740 0.001 0.000 0.255 366 N C 0.068 175.659 175.510 0.135 0.000 1.255 366 N CA -0.372 52.672 53.050 -0.009 0.000 0.933 366 N CB -0.187 38.305 38.487 0.007 0.000 1.143 366 N HN 0.255 nan 8.380 nan 0.000 0.453 367 N N -0.314 118.425 118.700 0.065 0.000 2.727 367 N HA -0.194 4.546 4.740 0.001 0.000 0.249 367 N C 0.247 175.765 175.510 0.014 0.000 1.048 367 N CA 0.588 53.681 53.050 0.072 0.000 0.714 367 N CB -0.904 37.659 38.487 0.126 0.000 0.959 367 N HN 0.653 nan 8.380 nan 0.000 0.544 368 I N 0.385 120.935 120.570 -0.033 0.000 2.208 368 I HA -0.201 3.970 4.170 0.001 0.000 0.245 368 I C -0.592 175.398 176.117 -0.212 0.000 1.097 368 I CA 1.422 62.640 61.300 -0.137 0.000 1.363 368 I CB -0.766 37.140 38.000 -0.156 0.000 1.051 368 I HN 0.168 nan 8.210 nan 0.000 0.413 369 P HA -0.207 nan 4.420 nan 0.000 0.217 369 P C 1.505 178.756 177.300 -0.080 0.000 1.150 369 P CA 1.309 64.382 63.100 -0.046 0.000 0.832 369 P CB -0.122 31.699 31.700 0.201 0.000 0.787 370 Y N 1.031 121.203 120.300 -0.213 0.000 2.145 370 Y HA -0.151 4.400 4.550 0.001 0.000 0.286 370 Y C 2.302 177.962 175.900 -0.400 0.000 1.145 370 Y CA 1.455 59.392 58.100 -0.271 0.000 1.148 370 Y CB -1.176 37.124 38.460 -0.266 0.000 0.981 370 Y HN -0.126 nan 8.280 nan 0.000 0.507 371 A N 0.403 122.858 122.820 -0.608 0.000 1.940 371 A HA -0.149 4.171 4.320 0.001 0.000 0.219 371 A C 2.312 179.578 177.584 -0.530 0.000 1.176 371 A CA 2.019 53.581 52.037 -0.792 0.000 0.631 371 A CB -1.029 17.558 19.000 -0.689 0.000 0.814 371 A HN 0.567 nan 8.150 nan 0.000 0.446 372 L N -1.566 119.386 121.223 -0.450 0.000 2.084 372 L HA -0.063 4.277 4.340 0.001 0.000 0.202 372 L C 2.571 179.131 176.870 -0.516 0.000 1.074 372 L CA 1.317 55.910 54.840 -0.412 0.000 0.757 372 L CB -0.559 41.224 42.059 -0.460 0.000 0.918 372 L HN 0.391 nan 8.230 nan 0.000 0.444 373 E N -0.481 119.407 120.200 -0.520 0.000 2.112 373 E HA -0.107 4.243 4.350 0.001 0.000 0.190 373 E C 2.100 178.449 176.600 -0.418 0.000 0.979 373 E CA 0.905 56.929 56.400 -0.627 0.000 0.814 373 E CB 0.261 29.777 29.700 -0.307 0.000 0.762 373 E HN 0.217 nan 8.360 nan 0.000 0.460 374 V N 0.649 120.368 119.914 -0.325 0.000 2.490 374 V HA -0.069 4.052 4.120 0.001 0.000 0.238 374 V C 2.093 178.003 176.094 -0.308 0.000 1.056 374 V CA 0.707 62.860 62.300 -0.244 0.000 1.075 374 V CB -0.271 31.480 31.823 -0.119 0.000 0.746 374 V HN 0.161 nan 8.190 nan 0.000 0.479 375 L N -0.100 120.830 121.223 -0.488 0.000 2.023 375 L HA -0.067 4.274 4.340 0.001 0.000 0.205 375 L C 2.623 179.329 176.870 -0.275 0.000 1.073 375 L CA 1.595 56.183 54.840 -0.420 0.000 0.745 375 L CB -0.735 40.964 42.059 -0.600 0.000 0.900 375 L HN 0.274 nan 8.230 nan 0.000 0.435 376 S N -0.508 115.018 115.700 -0.288 0.000 2.338 376 S HA -0.154 4.316 4.470 0.001 0.000 0.218 376 S C 2.037 176.561 174.600 -0.125 0.000 1.032 376 S CA 1.848 59.934 58.200 -0.190 0.000 0.999 376 S CB -0.379 62.712 63.200 -0.181 0.000 0.905 376 S HN 0.383 nan 8.310 nan 0.000 0.439 377 T N 1.680 116.143 114.554 -0.152 0.000 2.708 377 T HA -0.059 4.291 4.350 0.001 0.000 0.266 377 T C 2.049 176.782 174.700 0.055 0.000 1.037 377 T CA 1.388 63.479 62.100 -0.015 0.000 1.146 377 T CB -0.922 67.820 68.868 -0.210 0.000 0.865 377 T HN 0.541 nan 8.240 nan 0.000 0.435 378 G N 0.897 109.669 108.800 -0.047 0.000 2.440 378 G HA2 -0.074 3.886 3.960 0.001 0.000 0.218 378 G HA3 -0.074 3.886 3.960 0.001 0.000 0.218 378 G C 1.724 176.622 174.900 -0.003 0.000 1.154 378 G CA 0.988 46.082 45.100 -0.009 0.000 0.767 378 G HN 0.570 nan 8.290 nan 0.000 0.552 379 G N 0.659 109.427 108.800 -0.053 0.000 2.408 379 G HA2 -0.095 3.865 3.960 0.001 0.000 0.217 379 G HA3 -0.095 3.865 3.960 0.001 0.000 0.217 379 G C 1.778 176.623 174.900 -0.091 0.000 1.150 379 G CA 0.592 45.658 45.100 -0.057 0.000 0.776 379 G HN 0.422 nan 8.290 nan 0.000 0.542 380 L N -1.186 119.945 121.223 -0.154 0.000 2.217 380 L HA 0.198 4.538 4.340 0.001 0.000 0.211 380 L C 1.046 177.572 176.870 -0.574 0.000 1.107 380 L CA 0.521 55.140 54.840 -0.370 0.000 0.783 380 L CB 0.027 41.842 42.059 -0.408 0.000 0.919 380 L HN 0.132 nan 8.230 nan 0.000 0.442 381 F N -1.829 118.141 119.950 0.033 0.000 2.835 381 F HA 0.204 4.731 4.527 0.001 0.000 0.342 381 F C 1.759 177.575 175.800 0.026 0.000 1.202 381 F CA -0.304 57.713 58.000 0.027 0.000 1.240 381 F CB -0.117 38.879 39.000 -0.007 0.000 1.005 381 F HN -0.188 nan 8.300 nan 0.000 0.507 382 S N 0.135 115.908 115.700 0.123 0.000 2.402 382 S HA -0.213 4.258 4.470 0.001 0.000 0.233 382 S C 1.618 176.280 174.600 0.102 0.000 1.030 382 S CA 1.871 60.126 58.200 0.092 0.000 1.003 382 S CB -0.232 63.003 63.200 0.060 0.000 0.813 382 S HN 0.608 nan 8.310 nan 0.000 0.477 383 D N -0.207 120.269 120.400 0.127 0.000 2.358 383 D HA 0.247 4.888 4.640 0.001 0.000 0.224 383 D C 1.128 177.509 176.300 0.136 0.000 1.123 383 D CA 0.534 54.605 54.000 0.117 0.000 0.833 383 D CB -0.493 40.377 40.800 0.116 0.000 0.946 383 D HN 0.357 nan 8.370 nan 0.000 0.505 384 G N -0.212 108.682 108.800 0.158 0.000 2.184 384 G HA2 -0.195 3.766 3.960 0.001 0.000 0.264 384 G HA3 -0.195 3.766 3.960 0.001 0.000 0.264 384 G C 1.181 176.172 174.900 0.150 0.000 0.975 384 G CA 0.418 45.590 45.100 0.121 0.000 0.642 384 G HN 1.426 nan 8.290 nan 0.000 0.536 385 G N -1.222 107.751 108.800 0.289 0.000 2.175 385 G HA2 -0.281 3.679 3.960 0.001 0.000 0.244 385 G HA3 -0.281 3.679 3.960 0.001 0.000 0.244 385 G C 1.205 176.297 174.900 0.321 0.000 0.982 385 G CA 1.178 46.515 45.100 0.394 0.000 0.641 385 G HN 0.760 nan 8.290 nan 0.000 0.527 386 R N 0.799 121.427 120.500 0.214 0.000 2.083 386 R HA -0.071 4.269 4.340 0.001 0.000 0.237 386 R C 2.687 179.098 176.300 0.185 0.000 1.137 386 R CA 1.930 58.129 56.100 0.165 0.000 0.951 386 R CB -0.673 29.697 30.300 0.117 0.000 0.851 386 R HN 0.477 nan 8.270 nan 0.000 0.434 387 S N 0.853 116.677 115.700 0.206 0.000 2.356 387 S HA -0.158 4.313 4.470 0.001 0.000 0.223 387 S C 1.594 176.349 174.600 0.257 0.000 1.032 387 S CA 1.297 59.617 58.200 0.199 0.000 1.005 387 S CB -0.433 62.877 63.200 0.184 0.000 0.867 387 S HN 0.315 nan 8.310 nan 0.000 0.449 388 F N 2.416 122.481 119.950 0.192 0.000 2.134 388 F HA -0.041 4.486 4.527 0.000 0.000 0.299 388 F C 1.775 177.764 175.800 0.314 0.000 1.097 388 F CA 1.147 59.305 58.000 0.263 0.000 1.264 388 F CB -0.473 38.749 39.000 0.370 0.000 1.001 388 F HN 0.081 nan 8.300 nan 0.000 0.479 389 L N 0.055 121.419 121.223 0.235 0.000 2.191 389 L HA -0.216 4.124 4.340 0.001 0.000 0.212 389 L C 2.500 179.437 176.870 0.112 0.000 1.103 389 L CA 0.718 55.635 54.840 0.129 0.000 0.769 389 L CB -0.746 41.385 42.059 0.120 0.000 0.908 389 L HN 0.197 nan 8.230 nan 0.000 0.438 390 Q N 0.015 119.867 119.800 0.087 0.000 2.181 390 Q HA -0.187 4.153 4.340 0.001 0.000 0.205 390 Q C 1.864 177.858 176.000 -0.009 0.000 0.980 390 Q CA 1.156 56.987 55.803 0.048 0.000 0.862 390 Q CB -0.492 28.280 28.738 0.057 0.000 0.905 390 Q HN 0.616 nan 8.270 nan 0.000 0.429 391 N N -0.160 118.495 118.700 -0.074 0.000 2.272 391 N HA -0.116 4.624 4.740 0.001 0.000 0.185 391 N C 1.111 176.385 175.510 -0.393 0.000 1.014 391 N CA 0.962 53.848 53.050 -0.272 0.000 0.870 391 N CB -0.145 38.055 38.487 -0.478 0.000 0.975 391 N HN 0.274 nan 8.380 nan 0.000 0.433 392 F N 0.933 120.782 119.950 -0.168 0.000 2.695 392 F HA 0.221 4.749 4.527 0.001 0.000 0.303 392 F C 0.708 176.447 175.800 -0.101 0.000 1.091 392 F CA -0.264 57.655 58.000 -0.136 0.000 1.300 392 F CB 0.307 39.213 39.000 -0.158 0.000 1.071 392 F HN -0.360 nan 8.300 nan 0.000 0.578 393 K N 0.786 121.214 120.400 0.046 0.000 2.436 393 K HA 0.226 4.546 4.320 0.001 0.000 0.282 393 K C 1.220 177.799 176.600 -0.035 0.000 1.044 393 K CA 0.843 57.135 56.287 0.008 0.000 1.028 393 K CB 0.156 32.656 32.500 -0.000 0.000 0.919 393 K HN 0.380 nan 8.250 nan 0.000 0.474 394 G N 2.381 111.148 108.800 -0.055 0.000 2.184 394 G HA2 -0.246 3.714 3.960 0.001 0.000 0.264 394 G HA3 -0.246 3.714 3.960 0.001 0.000 0.264 394 G C -0.079 174.720 174.900 -0.168 0.000 0.975 394 G CA 0.326 45.362 45.100 -0.106 0.000 0.642 394 G HN 0.649 nan 8.290 nan 0.000 0.536 395 D N -0.706 119.622 120.400 -0.119 0.000 2.272 395 D HA 0.640 5.281 4.640 0.001 0.000 0.247 395 D C 0.589 176.816 176.300 -0.121 0.000 0.990 395 D CA -0.817 53.108 54.000 -0.126 0.000 0.931 395 D CB 0.628 41.404 40.800 -0.039 0.000 1.195 395 D HN -0.020 nan 8.370 nan 0.000 0.477 396 F N 0.066 120.039 119.950 0.038 0.000 2.444 396 F HA 0.212 4.739 4.527 0.000 0.000 0.331 396 F C 0.729 176.598 175.800 0.115 0.000 1.167 396 F CA -0.319 57.710 58.000 0.049 0.000 1.262 396 F CB 0.707 39.719 39.000 0.021 0.000 1.196 396 F HN -0.095 nan 8.300 nan 0.000 0.583 397 V N 2.185 122.277 119.914 0.295 0.000 2.334 397 V HA 0.090 4.210 4.120 0.001 0.000 0.281 397 V C -0.098 176.092 176.094 0.160 0.000 1.016 397 V CA -1.006 61.425 62.300 0.217 0.000 0.832 397 V CB 1.133 32.992 31.823 0.060 0.000 0.999 397 V HN 0.657 nan 8.190 nan 0.000 0.439 398 D N 6.558 127.058 120.400 0.166 0.000 2.488 398 D HA 0.056 4.697 4.640 0.001 0.000 0.238 398 D C -1.522 174.807 176.300 0.049 0.000 1.138 398 D CA -1.053 53.002 54.000 0.092 0.000 0.873 398 D CB 2.119 42.979 40.800 0.099 0.000 1.183 398 D HN 0.240 nan 8.370 nan 0.000 0.458 399 P HA -0.128 nan 4.420 nan 0.000 0.220 399 P C 1.511 178.802 177.300 -0.015 0.000 1.144 399 P CA 0.821 63.919 63.100 -0.003 0.000 0.800 399 P CB -0.103 31.589 31.700 -0.014 0.000 0.772 400 C N -2.499 116.796 119.300 -0.008 0.000 2.437 400 C HA 0.056 4.516 4.460 0.001 0.000 0.283 400 C C 2.249 177.214 174.990 -0.042 0.000 1.424 400 C CA -0.012 58.987 59.018 -0.033 0.000 1.782 400 C CB -2.082 25.644 27.740 -0.024 0.000 1.833 400 C HN 0.106 nan 8.230 nan 0.000 0.532 401 L N 1.300 122.518 121.223 -0.007 0.000 2.554 401 L HA 0.274 4.615 4.340 0.001 0.000 0.226 401 L C 2.107 178.944 176.870 -0.055 0.000 1.137 401 L CA 0.693 55.526 54.840 -0.012 0.000 0.863 401 L CB -1.184 40.891 42.059 0.026 0.000 0.985 401 L HN 0.714 nan 8.230 nan 0.000 0.451 402 G N 1.011 109.779 108.800 -0.054 0.000 2.574 402 G HA2 -0.343 3.618 3.960 0.001 0.000 0.286 402 G HA3 -0.343 3.618 3.960 0.001 0.000 0.286 402 G C 0.187 175.052 174.900 -0.058 0.000 1.212 402 G CA 0.363 45.429 45.100 -0.057 0.000 0.979 402 G HN 0.303 nan 8.290 nan 0.000 0.557 403 D N 0.633 120.999 120.400 -0.058 0.000 2.342 403 D HA 0.228 4.869 4.640 0.001 0.000 0.221 403 D C 2.218 178.465 176.300 -0.088 0.000 1.101 403 D CA 0.103 54.065 54.000 -0.063 0.000 0.837 403 D CB 0.492 41.266 40.800 -0.043 0.000 0.938 403 D HN 0.285 nan 8.370 nan 0.000 0.508 404 L N 0.817 121.976 121.223 -0.107 0.000 2.012 404 L HA -0.178 4.162 4.340 0.001 0.000 0.210 404 L C 1.770 178.549 176.870 -0.152 0.000 1.073 404 L CA 1.612 56.366 54.840 -0.144 0.000 0.748 404 L CB -0.327 41.645 42.059 -0.145 0.000 0.891 404 L HN -0.064 nan 8.230 nan 0.000 0.431 405 I N -0.552 119.912 120.570 -0.176 0.000 2.179 405 I HA -0.284 3.886 4.170 0.001 0.000 0.242 405 I C 2.619 178.644 176.117 -0.153 0.000 1.088 405 I CA 1.627 62.790 61.300 -0.229 0.000 1.357 405 I CB -1.418 36.345 38.000 -0.396 0.000 1.051 405 I HN 0.391 nan 8.210 nan 0.000 0.409 406 L N 0.581 121.729 121.223 -0.125 0.000 2.046 406 L HA -0.195 4.145 4.340 0.001 0.000 0.208 406 L C 2.542 179.358 176.870 -0.089 0.000 1.077 406 L CA 1.505 56.288 54.840 -0.096 0.000 0.747 406 L CB -0.124 41.890 42.059 -0.076 0.000 0.896 406 L HN 0.055 nan 8.230 nan 0.000 0.432 407 I N -0.306 120.209 120.570 -0.092 0.000 2.202 407 I HA -0.330 3.841 4.170 0.001 0.000 0.242 407 I C 2.365 178.417 176.117 -0.109 0.000 1.091 407 I CA 1.309 62.556 61.300 -0.088 0.000 1.368 407 I CB -0.256 37.687 38.000 -0.096 0.000 1.058 407 I HN 0.255 nan 8.210 nan 0.000 0.410 408 L N 0.110 121.249 121.223 -0.139 0.000 2.187 408 L HA -0.193 4.148 4.340 0.001 0.000 0.213 408 L C 2.525 179.357 176.870 -0.065 0.000 1.100 408 L CA 1.269 56.034 54.840 -0.124 0.000 0.765 408 L CB -0.517 41.487 42.059 -0.090 0.000 0.904 408 L HN 0.192 nan 8.230 nan 0.000 0.437 409 R N -0.399 120.059 120.500 -0.069 0.000 2.236 409 R HA 0.080 4.420 4.340 0.001 0.000 0.208 409 R C 0.532 176.783 176.300 -0.083 0.000 1.036 409 R CA -0.005 56.059 56.100 -0.061 0.000 1.001 409 R CB -0.074 30.185 30.300 -0.069 0.000 0.896 409 R HN 0.261 nan 8.270 nan 0.000 0.464 410 L N 2.710 123.875 121.223 -0.096 0.000 2.514 410 L HA 0.066 4.406 4.340 0.001 0.000 0.280 410 L C -1.980 174.806 176.870 -0.139 0.000 1.223 410 L CA -1.726 53.036 54.840 -0.131 0.000 0.864 410 L CB -0.044 41.997 42.059 -0.031 0.000 1.118 410 L HN -0.177 nan 8.230 nan 0.000 0.494 411 P HA -0.019 nan 4.420 nan 0.000 0.269 411 P C 0.479 177.637 177.300 -0.235 0.000 1.215 411 P CA -0.024 62.937 63.100 -0.233 0.000 0.780 411 P CB 0.809 32.259 31.700 -0.416 0.000 0.898 412 S N 2.334 117.996 115.700 -0.063 0.000 2.370 412 S HA -0.130 4.341 4.470 0.001 0.000 0.226 412 S C 1.519 176.133 174.600 0.022 0.000 1.033 412 S CA 1.222 59.422 58.200 -0.001 0.000 1.011 412 S CB -0.765 62.477 63.200 0.070 0.000 0.852 412 S HN 0.679 nan 8.310 nan 0.000 0.457 413 W N -0.068 121.281 121.300 0.082 0.000 2.374 413 W HA -0.094 4.566 4.660 0.001 0.000 0.288 413 W C 1.802 178.380 176.519 0.098 0.000 1.218 413 W CA 0.493 57.883 57.345 0.075 0.000 1.245 413 W CB -1.156 28.349 29.460 0.074 0.000 1.126 413 W HN 0.399 nan 8.180 nan 0.000 0.545 414 F N 2.502 121.908 119.950 -0.907 0.000 2.234 414 F HA 0.051 4.578 4.527 0.000 0.000 0.296 414 F C 2.519 178.101 175.800 -0.363 0.000 1.089 414 F CA 1.750 59.214 58.000 -0.893 0.000 1.343 414 F CB -0.319 37.844 39.000 -1.395 0.000 1.040 414 F HN -0.321 nan 8.300 nan 0.000 0.498 415 K N 0.084 120.371 120.400 -0.188 0.000 2.063 415 K HA -0.253 4.067 4.320 0.001 0.000 0.208 415 K C 2.321 178.830 176.600 -0.152 0.000 1.048 415 K CA 1.777 57.976 56.287 -0.148 0.000 0.928 415 K CB -0.306 32.148 32.500 -0.077 0.000 0.713 415 K HN 0.237 nan 8.250 nan 0.000 0.442 416 R N 1.061 121.508 120.500 -0.087 0.000 2.066 416 R HA -0.148 4.192 4.340 0.001 0.000 0.232 416 R C 2.379 178.639 176.300 -0.068 0.000 1.131 416 R CA 1.235 57.313 56.100 -0.037 0.000 0.955 416 R CB -0.334 29.990 30.300 0.040 0.000 0.851 416 R HN 0.114 nan 8.270 nan 0.000 0.432 417 L N 1.109 122.282 121.223 -0.082 0.000 2.012 417 L HA -0.166 4.175 4.340 0.001 0.000 0.210 417 L C 2.185 178.922 176.870 -0.221 0.000 1.073 417 L CA 1.578 56.357 54.840 -0.102 0.000 0.748 417 L CB -0.708 41.326 42.059 -0.042 0.000 0.891 417 L HN 0.310 nan 8.230 nan 0.000 0.431 418 L N -1.011 119.959 121.223 -0.422 0.000 2.083 418 L HA -0.180 4.160 4.340 0.001 0.000 0.209 418 L C 2.708 179.462 176.870 -0.192 0.000 1.083 418 L CA 2.112 56.719 54.840 -0.389 0.000 0.752 418 L CB -1.031 40.704 42.059 -0.540 0.000 0.899 418 L HN 0.522 nan 8.230 nan 0.000 0.433 419 S N -1.182 114.429 115.700 -0.149 0.000 2.368 419 S HA -0.146 4.325 4.470 0.001 0.000 0.225 419 S C 2.014 176.580 174.600 -0.056 0.000 1.030 419 S CA 1.233 59.385 58.200 -0.079 0.000 0.999 419 S CB -0.309 62.859 63.200 -0.053 0.000 0.844 419 S HN 0.345 nan 8.310 nan 0.000 0.459 420 L N 1.215 122.403 121.223 -0.057 0.000 2.012 420 L HA -0.015 4.326 4.340 0.001 0.000 0.210 420 L C 2.294 179.139 176.870 -0.042 0.000 1.073 420 L CA 1.415 56.231 54.840 -0.039 0.000 0.748 420 L CB -1.293 40.749 42.059 -0.029 0.000 0.891 420 L HN 0.326 nan 8.230 nan 0.000 0.431 421 L N -1.394 119.795 121.223 -0.057 0.000 2.046 421 L HA -0.185 4.155 4.340 0.001 0.000 0.208 421 L C 2.411 179.260 176.870 -0.035 0.000 1.077 421 L CA 1.529 56.340 54.840 -0.048 0.000 0.747 421 L CB -0.851 41.172 42.059 -0.061 0.000 0.896 421 L HN 0.174 nan 8.230 nan 0.000 0.432 422 L N -0.948 120.259 121.223 -0.027 0.000 2.217 422 L HA -0.196 4.144 4.340 0.001 0.000 0.211 422 L C 2.540 179.409 176.870 -0.002 0.000 1.107 422 L CA 0.821 55.675 54.840 0.022 0.000 0.783 422 L CB -0.457 41.617 42.059 0.025 0.000 0.919 422 L HN 0.295 nan 8.230 nan 0.000 0.442 423 K N 0.630 121.017 120.400 -0.022 0.000 2.044 423 K HA -0.203 4.117 4.320 0.001 0.000 0.210 423 K C -0.493 176.078 176.600 -0.049 0.000 1.049 423 K CA 1.746 58.020 56.287 -0.022 0.000 0.927 423 K CB -0.730 31.759 32.500 -0.018 0.000 0.713 423 K HN 0.200 nan 8.250 nan 0.000 0.443 424 P HA -0.111 nan 4.420 nan 0.000 0.218 424 P C 1.032 178.226 177.300 -0.177 0.000 1.149 424 P CA 1.160 64.201 63.100 -0.099 0.000 0.817 424 P CB 0.132 31.777 31.700 -0.091 0.000 0.785 425 L N -3.335 117.714 121.223 -0.291 0.000 2.286 425 L HA 0.145 4.486 4.340 0.001 0.000 0.203 425 L C 0.605 176.981 176.870 -0.824 0.000 1.068 425 L CA 0.643 55.093 54.840 -0.648 0.000 0.811 425 L CB -0.107 41.403 42.059 -0.916 0.000 0.989 425 L HN -0.175 nan 8.230 nan 0.000 0.467 426 F N -0.081 119.829 119.950 -0.067 0.000 2.660 426 F HA 0.315 4.842 4.527 0.001 0.000 0.352 426 F C -1.737 173.990 175.800 -0.122 0.000 1.257 426 F CA -1.658 56.277 58.000 -0.109 0.000 1.200 426 F CB 0.563 39.453 39.000 -0.183 0.000 1.473 426 F HN -0.186 nan 8.300 nan 0.000 0.561 427 P HA -0.214 nan 4.420 nan 0.000 0.216 427 P C 1.791 179.090 177.300 -0.001 0.000 1.150 427 P CA 1.366 64.488 63.100 0.037 0.000 0.837 427 P CB 0.285 32.038 31.700 0.088 0.000 0.786 428 R N 0.111 120.534 120.500 -0.130 0.000 2.073 428 R HA -0.079 4.261 4.340 0.001 0.000 0.234 428 R C 2.550 178.783 176.300 -0.112 0.000 1.134 428 R CA 1.379 57.353 56.100 -0.210 0.000 0.952 428 R CB -0.891 28.960 30.300 -0.748 0.000 0.850 428 R HN 0.111 nan 8.270 nan 0.000 0.433 429 L N 0.164 121.173 121.223 -0.356 0.000 2.017 429 L HA -0.124 4.217 4.340 0.001 0.000 0.208 429 L C 2.759 179.586 176.870 -0.071 0.000 1.073 429 L CA 1.323 55.932 54.840 -0.384 0.000 0.745 429 L CB -0.758 41.005 42.059 -0.492 0.000 0.894 429 L HN 0.333 nan 8.230 nan 0.000 0.432 430 A N 0.296 123.095 122.820 -0.034 0.000 1.908 430 A HA -0.216 4.105 4.320 0.001 0.000 0.218 430 A C 2.545 180.154 177.584 0.042 0.000 1.181 430 A CA 2.048 54.086 52.037 0.001 0.000 0.627 430 A CB -0.706 18.295 19.000 0.002 0.000 0.818 430 A HN 0.431 nan 8.150 nan 0.000 0.445 431 A N -1.429 121.441 122.820 0.085 0.000 1.873 431 A HA 0.059 4.379 4.320 0.001 0.000 0.215 431 A C 2.013 179.654 177.584 0.095 0.000 1.186 431 A CA 1.342 53.428 52.037 0.082 0.000 0.616 431 A CB -0.728 18.329 19.000 0.096 0.000 0.823 431 A HN 0.465 nan 8.150 nan 0.000 0.442 432 F N -0.711 119.270 119.950 0.052 0.000 2.102 432 F HA -0.176 4.352 4.527 0.000 0.000 0.298 432 F C 2.135 177.944 175.800 0.015 0.000 1.105 432 F CA 1.472 59.521 58.000 0.082 0.000 1.239 432 F CB -0.256 38.875 39.000 0.217 0.000 0.991 432 F HN 0.255 nan 8.300 nan 0.000 0.474 433 L N 0.714 122.044 121.223 0.178 0.000 2.012 433 L HA -0.265 4.075 4.340 0.001 0.000 0.210 433 L C 2.017 178.892 176.870 0.008 0.000 1.073 433 L CA 1.892 56.762 54.840 0.049 0.000 0.748 433 L CB -1.180 40.879 42.059 -0.000 0.000 0.891 433 L HN 0.072 nan 8.230 nan 0.000 0.431 434 N N -0.385 118.321 118.700 0.010 0.000 2.289 434 N HA -0.175 4.566 4.740 0.001 0.000 0.184 434 N C 1.346 176.856 175.510 -0.001 0.000 1.016 434 N CA 1.242 54.290 53.050 -0.003 0.000 0.872 434 N CB -0.230 38.257 38.487 -0.000 0.000 0.973 434 N HN 0.430 nan 8.380 nan 0.000 0.433 435 N N -0.372 118.324 118.700 -0.006 0.000 2.398 435 N HA 0.074 4.814 4.740 0.001 0.000 0.188 435 N C 0.140 175.661 175.510 0.019 0.000 1.122 435 N CA 0.210 53.252 53.050 -0.014 0.000 0.866 435 N CB 0.195 38.637 38.487 -0.076 0.000 0.970 435 N HN 0.416 nan 8.380 nan 0.000 0.462 436 M N 0.285 119.889 119.600 0.007 0.000 2.549 436 M HA 0.162 4.642 4.480 0.001 0.000 0.273 436 M C -0.030 176.271 176.300 0.001 0.000 1.213 436 M CA 0.000 55.294 55.300 -0.011 0.000 0.976 436 M CB 0.478 32.974 32.600 -0.175 0.000 1.457 436 M HN -0.181 nan 8.290 nan 0.000 0.485 437 R N 1.388 121.901 120.500 0.022 0.000 2.532 437 R HA 0.412 4.752 4.340 0.001 0.000 0.272 437 R C -2.318 174.014 176.300 0.054 0.000 1.032 437 R CA -1.629 54.487 56.100 0.028 0.000 1.089 437 R CB 0.219 30.532 30.300 0.023 0.000 1.098 437 R HN -0.048 nan 8.270 nan 0.000 0.526 438 P HA 0.078 nan 4.420 nan 0.000 0.272 438 P C -1.082 176.247 177.300 0.048 0.000 1.230 438 P CA -0.030 63.107 63.100 0.062 0.000 0.788 438 P CB 0.816 32.551 31.700 0.060 0.000 0.949 439 R N -0.787 119.737 120.500 0.040 0.000 2.752 439 R HA 0.536 4.876 4.340 0.001 0.000 0.271 439 R C -0.615 175.687 176.300 0.003 0.000 1.026 439 R CA -0.842 55.272 56.100 0.024 0.000 0.901 439 R CB 0.400 30.715 30.300 0.026 0.000 1.243 439 R HN 0.476 nan 8.270 nan 0.000 0.463 440 S N -0.089 115.600 115.700 -0.019 0.000 2.600 440 S HA 0.325 4.795 4.470 0.001 0.000 0.265 440 S C 1.333 175.870 174.600 -0.106 0.000 1.325 440 S CA -0.168 57.996 58.200 -0.060 0.000 1.002 440 S CB 1.412 64.569 63.200 -0.071 0.000 0.921 440 S HN 0.818 nan 8.310 nan 0.000 0.554 441 A N 0.542 123.254 122.820 -0.181 0.000 1.972 441 A HA -0.109 4.212 4.320 0.001 0.000 0.219 441 A C 2.127 179.408 177.584 -0.506 0.000 1.169 441 A CA 1.714 53.559 52.037 -0.319 0.000 0.635 441 A CB -1.184 17.579 19.000 -0.394 0.000 0.810 441 A HN 1.025 nan 8.150 nan 0.000 0.446 442 E N 0.008 119.956 120.200 -0.420 0.000 2.058 442 E HA -0.244 4.106 4.350 0.001 0.000 0.194 442 E C 1.937 178.485 176.600 -0.086 0.000 0.997 442 E CA 1.640 57.849 56.400 -0.318 0.000 0.801 442 E CB -0.126 29.466 29.700 -0.180 0.000 0.746 442 E HN 0.624 nan 8.360 nan 0.000 0.450 443 K N -0.005 120.365 120.400 -0.051 0.000 2.148 443 K HA -0.134 4.186 4.320 0.001 0.000 0.204 443 K C 2.158 178.796 176.600 0.062 0.000 1.050 443 K CA 0.707 57.008 56.287 0.024 0.000 0.942 443 K CB -0.111 32.398 32.500 0.016 0.000 0.724 443 K HN 0.136 nan 8.250 nan 0.000 0.446 444 L N 0.280 121.523 121.223 0.033 0.000 2.046 444 L HA -0.137 4.204 4.340 0.001 0.000 0.208 444 L C 1.652 178.671 176.870 0.249 0.000 1.077 444 L CA 1.671 56.572 54.840 0.101 0.000 0.747 444 L CB -0.591 41.511 42.059 0.071 0.000 0.896 444 L HN 0.239 nan 8.230 nan 0.000 0.432 445 W N 0.401 121.725 121.300 0.040 0.000 2.338 445 W HA -0.225 4.435 4.660 0.000 0.000 0.304 445 W C 2.765 179.328 176.519 0.074 0.000 1.212 445 W CA 1.615 58.989 57.345 0.047 0.000 1.264 445 W CB -1.167 28.311 29.460 0.030 0.000 1.142 445 W HN 0.204 nan 8.180 nan 0.000 0.512 446 K N 0.585 121.175 120.400 0.317 0.000 2.057 446 K HA -0.183 4.137 4.320 0.001 0.000 0.207 446 K C 1.997 178.718 176.600 0.201 0.000 1.049 446 K CA 1.461 57.892 56.287 0.240 0.000 0.931 446 K CB -1.045 31.559 32.500 0.174 0.000 0.714 446 K HN 0.067 nan 8.250 nan 0.000 0.440 447 L N 1.123 122.438 121.223 0.153 0.000 2.056 447 L HA -0.124 4.216 4.340 0.001 0.000 0.207 447 L C 2.043 178.964 176.870 0.086 0.000 1.078 447 L CA 1.730 56.624 54.840 0.091 0.000 0.749 447 L CB -0.583 41.510 42.059 0.057 0.000 0.901 447 L HN 0.325 nan 8.230 nan 0.000 0.433 448 Q N -1.391 118.488 119.800 0.131 0.000 2.124 448 Q HA -0.259 4.081 4.340 0.001 0.000 0.202 448 Q C 2.171 178.248 176.000 0.128 0.000 0.977 448 Q CA 1.736 57.606 55.803 0.112 0.000 0.850 448 Q CB -0.447 28.370 28.738 0.132 0.000 0.901 448 Q HN 0.707 nan 8.270 nan 0.000 0.429 449 H N 0.941 120.049 119.070 0.064 0.000 2.353 449 H HA -0.110 4.447 4.556 0.000 0.000 0.300 449 H C 1.562 176.933 175.328 0.072 0.000 1.090 449 H CA 1.338 57.418 56.048 0.053 0.000 1.327 449 H CB 0.396 30.192 29.762 0.057 0.000 1.383 449 H HN 0.319 nan 8.280 nan 0.000 0.508 450 E N 0.310 120.508 120.200 -0.004 0.000 2.153 450 E HA -0.145 4.205 4.350 0.001 0.000 0.194 450 E C 2.403 179.001 176.600 -0.003 0.000 0.988 450 E CA 0.966 57.356 56.400 -0.017 0.000 0.811 450 E CB 0.102 29.856 29.700 0.089 0.000 0.746 450 E HN 0.551 nan 8.360 nan 0.000 0.466 451 I N 1.084 121.646 120.570 -0.014 0.000 2.252 451 I HA -0.250 3.920 4.170 0.001 0.000 0.245 451 I C 2.686 178.824 176.117 0.035 0.000 1.102 451 I CA 1.074 62.371 61.300 -0.004 0.000 1.385 451 I CB -0.185 37.802 38.000 -0.021 0.000 1.064 451 I HN 0.140 nan 8.210 nan 0.000 0.414 452 E N 1.097 121.304 120.200 0.011 0.000 2.077 452 E HA -0.240 4.110 4.350 0.001 0.000 0.193 452 E C 2.365 178.959 176.600 -0.011 0.000 0.989 452 E CA 1.337 57.745 56.400 0.013 0.000 0.800 452 E CB 0.008 29.731 29.700 0.039 0.000 0.746 452 E HN 0.419 nan 8.360 nan 0.000 0.452 453 M N -0.448 119.105 119.600 -0.079 0.000 2.200 453 M HA -0.133 4.348 4.480 0.001 0.000 0.265 453 M C 2.210 178.537 176.300 0.045 0.000 1.066 453 M CA 1.119 56.383 55.300 -0.060 0.000 1.127 453 M CB -0.373 32.130 32.600 -0.162 0.000 1.379 453 M HN 0.236 nan 8.290 nan 0.000 0.420 454 Y N 0.913 121.200 120.300 -0.022 0.000 2.224 454 Y HA -0.237 4.313 4.550 0.000 0.000 0.289 454 Y C 2.611 178.513 175.900 0.002 0.000 1.146 454 Y CA 1.638 59.745 58.100 0.012 0.000 1.182 454 Y CB -0.110 38.339 38.460 -0.019 0.000 0.983 454 Y HN 0.077 nan 8.280 nan 0.000 0.524 455 R N -0.134 120.324 120.500 -0.069 0.000 2.073 455 R HA -0.183 4.157 4.340 0.001 0.000 0.234 455 R C 2.233 178.508 176.300 -0.042 0.000 1.134 455 R CA 1.757 57.803 56.100 -0.089 0.000 0.952 455 R CB -0.121 30.197 30.300 0.029 0.000 0.850 455 R HN 0.378 nan 8.270 nan 0.000 0.433 456 Q N -0.116 119.674 119.800 -0.017 0.000 2.124 456 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 456 Q C 2.088 178.083 176.000 -0.008 0.000 0.977 456 Q CA 1.624 57.428 55.803 0.002 0.000 0.850 456 Q CB -0.332 28.413 28.738 0.012 0.000 0.901 456 Q HN 0.279 nan 8.270 nan 0.000 0.429 457 S N 0.159 115.829 115.700 -0.049 0.000 2.353 457 S HA -0.121 4.349 4.470 0.001 0.000 0.222 457 S C 2.079 176.652 174.600 -0.045 0.000 1.035 457 S CA 1.470 59.643 58.200 -0.044 0.000 1.025 457 S CB -0.137 63.038 63.200 -0.043 0.000 0.902 457 S HN 0.184 nan 8.310 nan 0.000 0.440 458 V N 1.968 121.781 119.914 -0.168 0.000 2.358 458 V HA -0.114 4.006 4.120 0.001 0.000 0.246 458 V C 2.344 178.597 176.094 0.265 0.000 1.047 458 V CA 1.852 64.154 62.300 0.003 0.000 1.035 458 V CB -0.697 31.017 31.823 -0.181 0.000 0.658 458 V HN 0.513 nan 8.190 nan 0.000 0.452 459 I N 0.593 121.277 120.570 0.189 0.000 2.163 459 I HA -0.276 3.894 4.170 0.001 0.000 0.243 459 I C 2.696 178.912 176.117 0.165 0.000 1.085 459 I CA 1.613 62.992 61.300 0.131 0.000 1.347 459 I CB -0.618 37.383 38.000 0.002 0.000 1.044 459 I HN 0.296 nan 8.210 nan 0.000 0.408 460 A N -0.036 122.860 122.820 0.127 0.000 1.908 460 A HA -0.307 4.013 4.320 0.001 0.000 0.218 460 A C 2.326 180.028 177.584 0.197 0.000 1.181 460 A CA 1.964 54.078 52.037 0.128 0.000 0.627 460 A CB -0.787 18.262 19.000 0.082 0.000 0.818 460 A HN 0.519 nan 8.150 nan 0.000 0.445 461 Q N -1.471 118.472 119.800 0.239 0.000 2.096 461 Q HA -0.222 4.118 4.340 0.001 0.000 0.204 461 Q C 2.035 178.353 176.000 0.530 0.000 0.982 461 Q CA 1.821 57.813 55.803 0.314 0.000 0.850 461 Q CB -0.286 28.604 28.738 0.253 0.000 0.901 461 Q HN 0.872 nan 8.270 nan 0.000 0.422 462 W N 1.581 123.086 121.300 0.340 0.000 2.333 462 W HA -0.203 4.458 4.660 0.000 0.000 0.316 462 W C 1.511 178.043 176.519 0.021 0.000 1.215 462 W CA 1.570 58.974 57.345 0.099 0.000 1.278 462 W CB -0.211 29.281 29.460 0.053 0.000 1.154 462 W HN 0.115 nan 8.180 nan 0.000 0.486 463 K N 0.188 120.834 120.400 0.410 0.000 2.147 463 K HA -0.109 4.212 4.320 0.001 0.000 0.205 463 K C 2.185 178.878 176.600 0.155 0.000 1.049 463 K CA 1.361 57.797 56.287 0.248 0.000 0.936 463 K CB -0.621 31.977 32.500 0.163 0.000 0.722 463 K HN 0.110 nan 8.250 nan 0.000 0.446 464 A N 1.081 123.999 122.820 0.163 0.000 2.019 464 A HA -0.111 4.209 4.320 0.001 0.000 0.219 464 A C 1.863 179.507 177.584 0.099 0.000 1.164 464 A CA 1.275 53.384 52.037 0.119 0.000 0.644 464 A CB -0.179 18.892 19.000 0.119 0.000 0.805 464 A HN 0.136 nan 8.150 nan 0.000 0.449 465 M N -1.129 118.533 119.600 0.103 0.000 2.431 465 M HA 0.151 4.631 4.480 0.001 0.000 0.237 465 M C 0.470 176.749 176.300 -0.034 0.000 1.130 465 M CA -0.092 55.234 55.300 0.044 0.000 1.002 465 M CB -1.069 31.573 32.600 0.070 0.000 1.524 465 M HN 0.506 nan 8.290 nan 0.000 0.482 466 N N 1.852 120.549 118.700 -0.006 0.000 2.725 466 N HA -0.169 4.572 4.740 0.001 0.000 0.251 466 N C -0.978 174.465 175.510 -0.112 0.000 1.031 466 N CA 0.313 53.355 53.050 -0.015 0.000 0.720 466 N CB -1.196 37.288 38.487 -0.005 0.000 0.930 466 N HN 0.426 nan 8.380 nan 0.000 0.543 467 L N -0.374 120.675 121.223 -0.290 0.000 2.452 467 L HA 0.145 4.485 4.340 0.001 0.000 0.267 467 L C 1.432 178.163 176.870 -0.232 0.000 1.188 467 L CA -0.413 54.105 54.840 -0.538 0.000 0.821 467 L CB 0.431 41.658 42.059 -1.387 0.000 1.102 467 L HN 0.147 nan 8.230 nan 0.000 0.470 468 D N 0.559 120.826 120.400 -0.221 0.000 2.259 468 D HA 0.075 4.716 4.640 0.001 0.000 0.216 468 D C 0.313 176.614 176.300 0.002 0.000 0.961 468 D CA 1.045 55.014 54.000 -0.051 0.000 0.878 468 D CB 0.720 41.452 40.800 -0.114 0.000 1.009 468 D HN 0.355 nan 8.370 nan 0.000 0.490 469 V N -1.749 117.978 119.914 -0.312 0.000 3.202 469 V HA 0.681 4.801 4.120 0.001 0.000 0.306 469 V C -1.645 174.126 176.094 -0.539 0.000 1.283 469 V CA -1.171 60.959 62.300 -0.283 0.000 1.065 469 V CB 2.629 34.116 31.823 -0.560 0.000 1.079 469 V HN -0.077 nan 8.190 nan 0.000 0.448 470 L N 1.641 122.725 121.223 -0.232 0.000 2.438 470 L HA 0.836 5.177 4.340 0.001 0.000 0.270 470 L C -1.382 175.560 176.870 0.120 0.000 0.972 470 L CA -0.558 54.187 54.840 -0.159 0.000 0.831 470 L CB 1.596 43.579 42.059 -0.127 0.000 1.273 470 L HN 0.937 nan 8.230 nan 0.000 0.405 471 L N 4.853 126.154 121.223 0.129 0.000 2.296 471 L HA 0.882 5.222 4.340 0.001 0.000 0.286 471 L C -0.214 176.604 176.870 -0.087 0.000 1.023 471 L CA 0.467 55.399 54.840 0.154 0.000 0.812 471 L CB 1.601 43.806 42.059 0.242 0.000 1.223 471 L HN 0.893 nan 8.230 nan 0.000 0.421 472 T N 2.535 116.981 114.554 -0.181 0.000 2.883 472 T HA 0.759 5.110 4.350 0.001 0.000 0.296 472 T C -2.911 171.649 174.700 -0.234 0.000 1.117 472 T CA -2.142 59.700 62.100 -0.429 0.000 1.006 472 T CB 1.913 70.529 68.868 -0.420 0.000 1.191 472 T HN 0.356 nan 8.240 nan 0.000 0.508 473 P HA 0.414 nan 4.420 nan 0.000 0.270 473 P C -0.947 176.159 177.300 -0.324 0.000 1.223 473 P CA -0.534 62.372 63.100 -0.323 0.000 0.785 473 P CB 0.280 31.652 31.700 -0.548 0.000 0.923 474 M N 2.325 121.779 119.600 -0.244 0.000 2.395 474 M HA 0.407 4.887 4.480 0.001 0.000 0.307 474 M C -1.539 174.727 176.300 -0.056 0.000 1.091 474 M CA -1.444 53.782 55.300 -0.124 0.000 0.919 474 M CB 1.256 33.818 32.600 -0.065 0.000 1.662 474 M HN 0.062 nan 8.290 nan 0.000 0.440 475 L N 4.607 125.885 121.223 0.091 0.000 2.559 475 L HA 0.576 4.917 4.340 0.001 0.000 0.274 475 L C 0.090 177.160 176.870 0.334 0.000 1.205 475 L CA 1.470 56.469 54.840 0.265 0.000 0.907 475 L CB -0.368 41.987 42.059 0.494 0.000 1.153 475 L HN 0.866 nan 8.230 nan 0.000 0.490 476 G N 4.827 113.722 108.800 0.157 0.000 2.466 476 G HA2 0.406 4.366 3.960 0.001 0.000 0.291 476 G HA3 0.406 4.366 3.960 0.001 0.000 0.291 476 G C -3.292 171.550 174.900 -0.096 0.000 1.460 476 G CA -0.651 44.452 45.100 0.006 0.000 0.791 476 G HN 0.501 nan 8.290 nan 0.000 0.505 477 P HA 0.469 nan 4.420 nan 0.000 0.289 477 P C 0.347 177.293 177.300 -0.590 0.000 1.299 477 P CA 0.108 63.027 63.100 -0.303 0.000 0.766 477 P CB 0.709 32.259 31.700 -0.251 0.000 1.226 478 A N 0.269 122.612 122.820 -0.796 0.000 2.565 478 A HA 0.145 4.465 4.320 0.001 0.000 0.237 478 A C 0.254 177.437 177.584 -0.669 0.000 1.053 478 A CA 0.170 51.463 52.037 -1.239 0.000 0.755 478 A CB -1.046 17.597 19.000 -0.595 0.000 0.980 478 A HN 0.390 nan 8.150 nan 0.000 0.506 479 L N 2.228 123.113 121.223 -0.565 0.000 2.418 479 L HA 0.231 4.571 4.340 0.001 0.000 0.265 479 L C 0.504 177.305 176.870 -0.115 0.000 1.143 479 L CA 0.129 54.850 54.840 -0.199 0.000 0.809 479 L CB 0.309 42.341 42.059 -0.046 0.000 1.124 479 L HN 0.643 nan 8.230 nan 0.000 0.456 480 D N 1.048 121.395 120.400 -0.089 0.000 2.443 480 D HA 0.088 4.728 4.640 0.001 0.000 0.234 480 D C 0.058 176.330 176.300 -0.046 0.000 1.172 480 D CA 0.105 54.070 54.000 -0.058 0.000 0.878 480 D CB 0.341 41.110 40.800 -0.051 0.000 1.204 480 D HN 0.253 nan 8.370 nan 0.000 0.453 481 L N 2.356 123.562 121.223 -0.028 0.000 2.573 481 L HA -0.139 4.201 4.340 0.001 0.000 0.290 481 L C 1.079 177.921 176.870 -0.047 0.000 1.247 481 L CA 0.465 55.289 54.840 -0.026 0.000 0.876 481 L CB -0.264 41.787 42.059 -0.014 0.000 1.123 481 L HN 0.603 nan 8.230 nan 0.000 0.505 482 N N -1.031 117.632 118.700 -0.062 0.000 2.782 482 N HA -0.232 4.508 4.740 0.001 0.000 0.251 482 N C 0.682 176.136 175.510 -0.094 0.000 1.101 482 N CA 0.782 53.789 53.050 -0.073 0.000 0.764 482 N CB -0.944 37.514 38.487 -0.048 0.000 1.122 482 N HN 0.944 nan 8.380 nan 0.000 0.561 483 T N -5.131 109.351 114.554 -0.120 0.000 2.999 483 T HA 0.201 4.551 4.350 0.001 0.000 0.247 483 T C -1.328 173.238 174.700 -0.223 0.000 1.012 483 T CA 0.151 62.174 62.100 -0.128 0.000 1.048 483 T CB -0.281 68.536 68.868 -0.085 0.000 1.020 483 T HN -0.125 nan 8.240 nan 0.000 0.478 484 P HA -0.040 nan 4.420 nan 0.000 0.217 484 P C 1.832 178.773 177.300 -0.599 0.000 1.151 484 P CA 1.664 64.259 63.100 -0.842 0.000 0.849 484 P CB -0.690 30.178 31.700 -1.386 0.000 0.787 485 G N -0.788 107.787 108.800 -0.374 0.000 2.498 485 G HA2 -0.226 3.734 3.960 0.001 0.000 0.219 485 G HA3 -0.226 3.734 3.960 0.001 0.000 0.219 485 G C 1.417 176.206 174.900 -0.185 0.000 1.119 485 G CA 0.367 45.325 45.100 -0.236 0.000 0.766 485 G HN 0.307 nan 8.290 nan 0.000 0.552 486 R N -0.429 119.972 120.500 -0.166 0.000 2.509 486 R HA 0.424 4.764 4.340 0.001 0.000 0.300 486 R C 0.501 176.752 176.300 -0.081 0.000 0.985 486 R CA 0.272 56.330 56.100 -0.070 0.000 1.092 486 R CB 0.869 31.156 30.300 -0.021 0.000 1.237 486 R HN 0.199 nan 8.270 nan 0.000 0.546 487 A N 0.220 122.889 122.820 -0.251 0.000 3.253 487 A HA 0.217 4.537 4.320 0.001 0.000 0.290 487 A C 0.608 177.877 177.584 -0.525 0.000 0.950 487 A CA -0.445 51.419 52.037 -0.290 0.000 0.986 487 A CB 0.285 19.272 19.000 -0.022 0.000 1.104 487 A HN 0.001 nan 8.150 nan 0.000 0.481 488 T N -0.116 113.691 114.554 -1.245 0.000 2.833 488 T HA -0.096 4.255 4.350 0.001 0.000 0.269 488 T C 2.139 176.235 174.700 -1.006 0.000 1.054 488 T CA 2.048 63.485 62.100 -1.105 0.000 1.135 488 T CB -0.060 67.998 68.868 -1.349 0.000 0.869 488 T HN 0.720 nan 8.240 nan 0.000 0.466 489 G N 1.164 109.198 108.800 -1.277 0.000 2.475 489 G HA2 -0.106 3.854 3.960 0.001 0.000 0.220 489 G HA3 -0.106 3.854 3.960 0.001 0.000 0.220 489 G C 1.593 176.522 174.900 0.049 0.000 1.125 489 G CA 0.794 45.731 45.100 -0.271 0.000 0.755 489 G HN 0.600 nan 8.290 nan 0.000 0.565 490 A N 0.492 123.313 122.820 0.003 0.000 2.239 490 A HA 0.249 4.569 4.320 0.001 0.000 0.209 490 A C 2.347 179.997 177.584 0.110 0.000 1.171 490 A CA 1.249 53.372 52.037 0.144 0.000 0.768 490 A CB -0.375 18.740 19.000 0.193 0.000 0.790 490 A HN 0.874 nan 8.150 nan 0.000 0.478 491 V N -1.355 118.570 119.914 0.018 0.000 3.444 491 V HA -0.114 4.006 4.120 0.001 0.000 0.271 491 V C 2.078 178.241 176.094 0.114 0.000 1.188 491 V CA 1.696 64.077 62.300 0.135 0.000 1.168 491 V CB -1.444 30.447 31.823 0.113 0.000 0.810 491 V HN 0.623 nan 8.190 nan 0.000 0.500 492 S N 0.291 116.041 115.700 0.084 0.000 2.370 492 S HA -0.277 4.194 4.470 0.001 0.000 0.226 492 S C 1.842 176.387 174.600 -0.092 0.000 1.033 492 S CA 1.856 60.019 58.200 -0.061 0.000 1.011 492 S CB -1.090 62.071 63.200 -0.064 0.000 0.852 492 S HN 0.617 nan 8.310 nan 0.000 0.457 493 Y N 3.098 123.491 120.300 0.155 0.000 2.293 493 Y HA -0.052 4.498 4.550 0.001 0.000 0.291 493 Y C 3.234 179.218 175.900 0.139 0.000 1.137 493 Y CA 1.359 59.573 58.100 0.190 0.000 1.202 493 Y CB -0.954 37.621 38.460 0.191 0.000 0.990 493 Y HN 0.629 nan 8.280 nan 0.000 0.537 494 T N -3.565 111.062 114.554 0.121 0.000 2.953 494 T HA -0.084 4.267 4.350 0.001 0.000 0.247 494 T C 1.902 176.608 174.700 0.009 0.000 1.029 494 T CA 0.685 62.789 62.100 0.007 0.000 1.144 494 T CB -0.564 68.083 68.868 -0.369 0.000 0.870 494 T HN 0.273 nan 8.240 nan 0.000 0.446 495 M N 0.759 120.345 119.600 -0.023 0.000 2.358 495 M HA 0.108 4.588 4.480 0.001 0.000 0.264 495 M C 2.024 178.245 176.300 -0.132 0.000 1.064 495 M CA 0.904 56.179 55.300 -0.042 0.000 1.093 495 M CB -0.391 32.206 32.600 -0.006 0.000 1.401 495 M HN 0.272 nan 8.290 nan 0.000 0.440 496 L N 0.021 121.110 121.223 -0.223 0.000 2.089 496 L HA -0.238 4.102 4.340 0.001 0.000 0.213 496 L C 1.422 177.951 176.870 -0.567 0.000 1.079 496 L CA 2.126 56.698 54.840 -0.446 0.000 0.758 496 L CB -0.840 40.843 42.059 -0.626 0.000 0.891 496 L HN 0.381 nan 8.230 nan 0.000 0.433 497 Y N -1.100 119.168 120.300 -0.052 0.000 2.523 497 Y HA 0.071 4.622 4.550 0.001 0.000 0.279 497 Y C 2.156 178.011 175.900 -0.075 0.000 1.139 497 Y CA 0.684 58.734 58.100 -0.083 0.000 1.296 497 Y CB -0.686 37.782 38.460 0.012 0.000 1.045 497 Y HN 0.337 nan 8.280 nan 0.000 0.538 498 N N -0.739 117.965 118.700 0.006 0.000 2.106 498 N HA -0.191 4.549 4.740 0.001 0.000 0.188 498 N C 1.943 177.413 175.510 -0.066 0.000 1.029 498 N CA 1.504 54.538 53.050 -0.027 0.000 0.848 498 N CB -0.657 37.807 38.487 -0.040 0.000 1.007 498 N HN 0.317 nan 8.380 nan 0.000 0.423 499 C N 0.686 119.920 119.300 -0.110 0.000 2.413 499 C HA -0.021 4.440 4.460 0.001 0.000 0.276 499 C C 2.239 177.174 174.990 -0.092 0.000 1.236 499 C CA 0.740 59.688 59.018 -0.116 0.000 1.735 499 C CB -1.227 26.414 27.740 -0.164 0.000 2.031 499 C HN 0.429 nan 8.230 nan 0.000 0.474 500 L N 0.087 121.209 121.223 -0.168 0.000 2.395 500 L HA 0.052 4.393 4.340 0.001 0.000 0.218 500 L C 0.886 177.720 176.870 -0.061 0.000 1.130 500 L CA 1.206 55.882 54.840 -0.272 0.000 0.826 500 L CB -0.506 41.042 42.059 -0.851 0.000 0.941 500 L HN 0.375 nan 8.230 nan 0.000 0.451 501 D N 0.298 120.697 120.400 -0.001 0.000 2.737 501 D HA -0.262 4.378 4.640 0.001 0.000 0.238 501 D C -0.505 175.936 176.300 0.235 0.000 1.157 501 D CA 0.651 54.685 54.000 0.056 0.000 0.694 501 D CB -1.166 39.625 40.800 -0.015 0.000 1.021 501 D HN 0.155 nan 8.370 nan 0.000 0.420 502 F N 0.105 120.035 119.950 -0.034 0.000 2.458 502 F HA 0.464 4.991 4.527 0.001 0.000 0.330 502 F C -1.433 174.321 175.800 -0.077 0.000 1.082 502 F CA -2.482 55.470 58.000 -0.080 0.000 0.995 502 F CB 1.927 40.939 39.000 0.021 0.000 1.170 502 F HN -0.116 nan 8.300 nan 0.000 0.478 503 P HA 0.161 nan 4.420 nan 0.000 0.271 503 P C -1.376 175.950 177.300 0.044 0.000 1.216 503 P CA -0.019 63.091 63.100 0.017 0.000 0.771 503 P CB 1.235 32.925 31.700 -0.018 0.000 0.864 504 A N 2.672 125.508 122.820 0.026 0.000 2.427 504 A HA 0.761 5.081 4.320 0.001 0.000 0.298 504 A C -0.311 177.266 177.584 -0.012 0.000 1.036 504 A CA -0.460 51.569 52.037 -0.012 0.000 0.701 504 A CB 1.700 20.683 19.000 -0.028 0.000 1.250 504 A HN 0.596 nan 8.150 nan 0.000 0.412 505 G N -0.213 108.574 108.800 -0.023 0.000 2.658 505 G HA2 0.818 4.778 3.960 0.001 0.000 0.292 505 G HA3 0.818 4.778 3.960 0.001 0.000 0.292 505 G C -0.757 174.108 174.900 -0.058 0.000 1.320 505 G CA -0.060 45.022 45.100 -0.030 0.000 0.933 505 G HN 1.944 nan 8.290 nan 0.000 0.476 506 V N -2.302 117.579 119.914 -0.056 0.000 2.823 506 V HA 0.890 5.011 4.120 0.001 0.000 0.312 506 V C -0.772 175.286 176.094 -0.059 0.000 1.072 506 V CA -1.045 61.215 62.300 -0.067 0.000 0.937 506 V CB 1.539 33.326 31.823 -0.060 0.000 1.013 506 V HN 0.658 nan 8.190 nan 0.000 0.430 507 V N 3.599 123.467 119.914 -0.076 0.000 2.638 507 V HA 0.531 4.652 4.120 0.001 0.000 0.306 507 V C -2.621 173.442 176.094 -0.053 0.000 1.052 507 V CA -1.874 60.388 62.300 -0.064 0.000 0.885 507 V CB 2.230 33.991 31.823 -0.104 0.000 0.999 507 V HN 0.875 nan 8.190 nan 0.000 0.424 508 P HA 0.180 nan 4.420 nan 0.000 0.271 508 P C 0.423 177.702 177.300 -0.036 0.000 1.220 508 P CA 0.174 63.258 63.100 -0.027 0.000 0.768 508 P CB 0.989 32.691 31.700 0.002 0.000 0.848 509 V N -0.024 119.862 119.914 -0.047 0.000 3.497 509 V HA 0.342 4.462 4.120 0.001 0.000 0.272 509 V C 0.427 176.498 176.094 -0.037 0.000 1.474 509 V CA 0.678 62.952 62.300 -0.044 0.000 1.025 509 V CB 0.420 32.209 31.823 -0.056 0.000 0.820 509 V HN 0.571 nan 8.190 nan 0.000 0.437 510 T N 0.594 115.119 114.554 -0.049 0.000 2.665 510 T HA 0.621 4.972 4.350 0.001 0.000 0.303 510 T C -0.930 173.724 174.700 -0.076 0.000 1.334 510 T CA 0.590 62.662 62.100 -0.046 0.000 1.011 510 T CB 1.698 70.542 68.868 -0.040 0.000 1.573 510 T HN 0.852 nan 8.240 nan 0.000 0.492 511 T N -0.757 113.756 114.554 -0.070 0.000 2.906 511 T HA 0.704 5.054 4.350 0.001 0.000 0.295 511 T C -0.497 174.155 174.700 -0.080 0.000 1.075 511 T CA -0.702 61.335 62.100 -0.105 0.000 1.005 511 T CB 1.133 69.951 68.868 -0.084 0.000 1.136 511 T HN 0.501 nan 8.240 nan 0.000 0.498 512 V N 3.274 123.129 119.914 -0.098 0.000 2.585 512 V HA 0.353 4.473 4.120 0.001 0.000 0.296 512 V C 1.367 177.436 176.094 -0.041 0.000 1.035 512 V CA -0.002 62.255 62.300 -0.071 0.000 1.084 512 V CB 0.325 32.096 31.823 -0.087 0.000 0.953 512 V HN 1.214 nan 8.190 nan 0.000 0.483 513 T N 2.303 116.841 114.554 -0.028 0.000 2.912 513 T HA 0.609 4.959 4.350 0.001 0.000 0.280 513 T C 1.314 176.008 174.700 -0.011 0.000 0.989 513 T CA -0.118 61.974 62.100 -0.014 0.000 0.995 513 T CB 1.723 70.586 68.868 -0.008 0.000 1.077 513 T HN 0.715 nan 8.240 nan 0.000 0.531 514 A N 0.197 123.014 122.820 -0.004 0.000 1.917 514 A HA -0.159 4.162 4.320 0.001 0.000 0.219 514 A C 2.269 179.852 177.584 -0.002 0.000 1.182 514 A CA 2.243 54.279 52.037 -0.002 0.000 0.633 514 A CB -1.262 17.739 19.000 0.002 0.000 0.819 514 A HN 1.049 nan 8.150 nan 0.000 0.448 515 E N -0.421 119.779 120.200 0.001 0.000 2.047 515 E HA -0.228 4.122 4.350 0.001 0.000 0.191 515 E C 1.423 178.025 176.600 0.004 0.000 0.987 515 E CA 1.250 57.652 56.400 0.004 0.000 0.799 515 E CB -0.162 29.541 29.700 0.006 0.000 0.752 515 E HN 0.537 nan 8.360 nan 0.000 0.449 516 D N 0.607 121.006 120.400 -0.001 0.000 2.116 516 D HA -0.208 4.432 4.640 0.001 0.000 0.193 516 D C 1.626 177.922 176.300 -0.007 0.000 0.998 516 D CA 1.688 55.685 54.000 -0.004 0.000 0.836 516 D CB -0.468 40.322 40.800 -0.018 0.000 0.951 516 D HN 0.305 nan 8.370 nan 0.000 0.449 517 D N -0.221 120.170 120.400 -0.014 0.000 2.144 517 D HA -0.040 4.600 4.640 0.001 0.000 0.200 517 D C 1.933 178.229 176.300 -0.008 0.000 0.978 517 D CA 1.383 55.370 54.000 -0.020 0.000 0.833 517 D CB 0.023 40.809 40.800 -0.024 0.000 0.961 517 D HN 0.114 nan 8.370 nan 0.000 0.470 518 A N 0.022 122.842 122.820 0.001 0.000 1.898 518 A HA -0.201 4.119 4.320 0.001 0.000 0.216 518 A C 2.123 179.717 177.584 0.018 0.000 1.181 518 A CA 1.418 53.460 52.037 0.008 0.000 0.620 518 A CB -0.639 18.366 19.000 0.009 0.000 0.819 518 A HN 0.313 nan 8.150 nan 0.000 0.442 519 Q N -1.729 118.084 119.800 0.022 0.000 2.224 519 Q HA -0.132 4.209 4.340 0.001 0.000 0.203 519 Q C 1.960 177.995 176.000 0.059 0.000 0.970 519 Q CA 1.461 57.287 55.803 0.038 0.000 0.865 519 Q CB -0.258 28.503 28.738 0.039 0.000 0.922 519 Q HN 0.640 nan 8.270 nan 0.000 0.445 520 M N 1.085 120.711 119.600 0.043 0.000 2.358 520 M HA -0.148 4.332 4.480 0.001 0.000 0.264 520 M C 1.160 177.502 176.300 0.069 0.000 1.064 520 M CA 1.563 56.892 55.300 0.049 0.000 1.093 520 M CB 0.103 32.686 32.600 -0.028 0.000 1.401 520 M HN 0.080 nan 8.290 nan 0.000 0.440 521 E N -0.564 119.664 120.200 0.047 0.000 2.338 521 E HA -0.109 4.241 4.350 0.001 0.000 0.197 521 E C 1.406 178.046 176.600 0.067 0.000 1.007 521 E CA 0.788 57.215 56.400 0.046 0.000 0.849 521 E CB -0.203 29.512 29.700 0.026 0.000 0.774 521 E HN 0.533 nan 8.360 nan 0.000 0.506 522 L N -0.043 121.228 121.223 0.079 0.000 2.607 522 L HA 0.106 4.446 4.340 0.001 0.000 0.228 522 L C 0.582 177.508 176.870 0.093 0.000 1.123 522 L CA -0.479 54.402 54.840 0.069 0.000 0.890 522 L CB -0.054 42.032 42.059 0.045 0.000 1.103 522 L HN 0.116 nan 8.230 nan 0.000 0.468 523 Y N 2.009 122.305 120.300 -0.007 0.000 2.805 523 Y HA -0.134 4.417 4.550 0.001 0.000 0.331 523 Y C 1.242 177.132 175.900 -0.017 0.000 1.241 523 Y CA 0.706 58.797 58.100 -0.016 0.000 1.546 523 Y CB 0.499 38.952 38.460 -0.011 0.000 1.248 523 Y HN -0.078 nan 8.280 nan 0.000 0.559 524 K N 4.357 124.487 120.400 -0.450 0.000 2.399 524 K HA 0.297 4.617 4.320 0.001 0.000 0.196 524 K C 0.730 177.088 176.600 -0.405 0.000 1.103 524 K CA 0.702 56.816 56.287 -0.287 0.000 0.986 524 K CB 0.101 32.498 32.500 -0.172 0.000 0.952 524 K HN 0.998 nan 8.250 nan 0.000 0.541 525 G N 0.982 109.251 108.800 -0.886 0.000 2.829 525 G HA2 -0.283 3.678 3.960 0.001 0.000 0.628 525 G HA3 -0.283 3.678 3.960 0.001 0.000 0.628 525 G C -0.001 174.632 174.900 -0.444 0.000 1.412 525 G CA -0.169 44.559 45.100 -0.620 0.000 0.864 525 G HN 0.108 nan 8.290 nan 0.000 0.544 526 Y N -0.521 119.690 120.300 -0.149 0.000 2.500 526 Y HA 0.433 4.983 4.550 0.000 0.000 0.270 526 Y C 2.222 177.796 175.900 -0.544 0.000 1.134 526 Y CA 0.806 58.679 58.100 -0.378 0.000 1.293 526 Y CB 0.075 38.203 38.460 -0.553 0.000 1.063 526 Y HN 0.421 nan 8.280 nan 0.000 0.534 527 F N -1.912 118.076 119.950 0.064 0.000 2.711 527 F HA 0.374 4.902 4.527 0.000 0.000 0.296 527 F C 1.971 177.806 175.800 0.058 0.000 1.096 527 F CA 0.407 58.434 58.000 0.044 0.000 1.280 527 F CB 0.227 39.233 39.000 0.011 0.000 1.060 527 F HN -0.070 nan 8.300 nan 0.000 0.608 528 G N 1.629 110.555 108.800 0.210 0.000 2.168 528 G HA2 -0.316 3.644 3.960 0.001 0.000 0.257 528 G HA3 -0.316 3.644 3.960 0.001 0.000 0.257 528 G C -0.237 174.776 174.900 0.189 0.000 0.997 528 G CA 0.616 45.810 45.100 0.156 0.000 0.708 528 G HN 0.453 nan 8.290 nan 0.000 0.520 529 D N -0.579 119.916 120.400 0.159 0.000 2.451 529 D HA 0.458 5.099 4.640 0.001 0.000 0.259 529 D C 2.148 178.340 176.300 -0.181 0.000 1.201 529 D CA -0.506 53.441 54.000 -0.088 0.000 1.028 529 D CB 0.039 40.696 40.800 -0.237 0.000 1.095 529 D HN 0.569 nan 8.370 nan 0.000 0.539 530 I N -3.590 116.738 120.570 -0.403 0.000 2.335 530 I HA -0.162 4.008 4.170 0.001 0.000 0.251 530 I C 1.227 177.364 176.117 0.033 0.000 1.129 530 I CA 0.883 62.057 61.300 -0.211 0.000 1.402 530 I CB -0.489 37.350 38.000 -0.268 0.000 1.069 530 I HN 0.245 nan 8.210 nan 0.000 0.424 531 W N 2.107 123.345 121.300 -0.103 0.000 2.381 531 W HA -0.086 4.574 4.660 0.001 0.000 0.301 531 W C 2.347 178.885 176.519 0.032 0.000 1.205 531 W CA 0.699 58.012 57.345 -0.053 0.000 1.285 531 W CB -1.271 28.134 29.460 -0.092 0.000 1.133 531 W HN 0.252 nan 8.180 nan 0.000 0.521 532 D N 0.040 120.617 120.400 0.294 0.000 2.117 532 D HA -0.121 4.519 4.640 0.001 0.000 0.197 532 D C 2.251 178.702 176.300 0.251 0.000 0.987 532 D CA 1.314 55.495 54.000 0.301 0.000 0.829 532 D CB -0.501 40.448 40.800 0.247 0.000 0.961 532 D HN 0.123 nan 8.370 nan 0.000 0.460 533 I N 0.755 121.419 120.570 0.158 0.000 2.202 533 I HA -0.216 3.954 4.170 0.001 0.000 0.242 533 I C 2.299 178.467 176.117 0.084 0.000 1.091 533 I CA 0.481 61.847 61.300 0.109 0.000 1.368 533 I CB -0.050 37.983 38.000 0.055 0.000 1.058 533 I HN -0.021 nan 8.210 nan 0.000 0.410 534 I N 0.378 120.997 120.570 0.082 0.000 2.208 534 I HA -0.293 3.877 4.170 0.001 0.000 0.245 534 I C 2.583 178.715 176.117 0.025 0.000 1.097 534 I CA 1.699 63.030 61.300 0.051 0.000 1.363 534 I CB -0.924 37.115 38.000 0.065 0.000 1.051 534 I HN 0.262 nan 8.210 nan 0.000 0.413 535 L N 1.083 122.333 121.223 0.045 0.000 2.046 535 L HA -0.225 4.116 4.340 0.001 0.000 0.208 535 L C 2.634 179.413 176.870 -0.153 0.000 1.077 535 L CA 1.883 56.701 54.840 -0.037 0.000 0.747 535 L CB -0.647 41.404 42.059 -0.013 0.000 0.896 535 L HN 0.143 nan 8.230 nan 0.000 0.432 536 K N -0.421 119.903 120.400 -0.127 0.000 2.032 536 K HA -0.250 4.071 4.320 0.001 0.000 0.209 536 K C 2.088 178.642 176.600 -0.077 0.000 1.048 536 K CA 1.909 58.117 56.287 -0.132 0.000 0.927 536 K CB -0.052 32.484 32.500 0.061 0.000 0.712 536 K HN 0.324 nan 8.250 nan 0.000 0.441 537 K N -0.150 120.229 120.400 -0.035 0.000 2.062 537 K HA -0.031 4.289 4.320 0.001 0.000 0.205 537 K C 2.115 178.684 176.600 -0.051 0.000 1.051 537 K CA 1.057 57.325 56.287 -0.031 0.000 0.941 537 K CB -0.089 32.403 32.500 -0.013 0.000 0.719 537 K HN 0.184 nan 8.250 nan 0.000 0.440 538 A N 0.879 123.663 122.820 -0.059 0.000 2.067 538 A HA -0.066 4.255 4.320 0.001 0.000 0.219 538 A C 1.869 179.392 177.584 -0.101 0.000 1.158 538 A CA 1.215 53.209 52.037 -0.071 0.000 0.661 538 A CB -0.361 18.603 19.000 -0.061 0.000 0.801 538 A HN 0.203 nan 8.150 nan 0.000 0.452 539 M N -0.830 118.696 119.600 -0.123 0.000 2.428 539 M HA 0.110 4.590 4.480 0.001 0.000 0.239 539 M C 0.710 176.941 176.300 -0.115 0.000 1.121 539 M CA 0.048 55.260 55.300 -0.147 0.000 1.019 539 M CB 0.071 32.557 32.600 -0.189 0.000 1.485 539 M HN 0.231 nan 8.290 nan 0.000 0.484 540 K N 2.087 122.436 120.400 -0.086 0.000 2.440 540 K HA -0.086 4.234 4.320 0.001 0.000 0.270 540 K C 0.246 176.811 176.600 -0.057 0.000 0.980 540 K CA 0.576 56.827 56.287 -0.060 0.000 0.953 540 K CB 0.205 32.680 32.500 -0.042 0.000 0.925 540 K HN 0.313 nan 8.250 nan 0.000 0.497 541 N N 1.542 120.216 118.700 -0.043 0.000 2.726 541 N HA -0.169 4.571 4.740 0.001 0.000 0.253 541 N C -1.049 174.435 175.510 -0.043 0.000 1.059 541 N CA 0.331 53.360 53.050 -0.034 0.000 0.701 541 N CB -0.726 37.746 38.487 -0.025 0.000 0.899 541 N HN 0.493 nan 8.380 nan 0.000 0.548 542 S N -0.181 115.486 115.700 -0.055 0.000 2.629 542 S HA 0.135 4.605 4.470 0.001 0.000 0.236 542 S C 0.331 174.894 174.600 -0.062 0.000 1.010 542 S CA -0.348 57.807 58.200 -0.074 0.000 0.981 542 S CB 1.015 64.147 63.200 -0.113 0.000 0.919 542 S HN 0.287 nan 8.310 nan 0.000 0.514 543 V N 2.348 122.241 119.914 -0.035 0.000 2.584 543 V HA 0.267 4.387 4.120 0.001 0.000 0.303 543 V C 1.533 177.621 176.094 -0.010 0.000 1.035 543 V CA 1.474 63.761 62.300 -0.023 0.000 1.172 543 V CB -0.090 31.729 31.823 -0.007 0.000 0.896 543 V HN 0.674 nan 8.190 nan 0.000 0.486 544 G N 3.738 112.526 108.800 -0.020 0.000 2.217 544 G HA2 -0.209 3.752 3.960 0.001 0.000 0.246 544 G HA3 -0.209 3.752 3.960 0.001 0.000 0.246 544 G C 0.104 174.955 174.900 -0.081 0.000 0.990 544 G CA 0.026 45.132 45.100 0.009 0.000 0.627 544 G HN 0.567 nan 8.290 nan 0.000 0.522 545 L N 2.818 123.939 121.223 -0.170 0.000 2.417 545 L HA 0.374 4.714 4.340 0.001 0.000 0.268 545 L C -1.382 175.197 176.870 -0.485 0.000 1.158 545 L CA -1.838 52.767 54.840 -0.392 0.000 0.819 545 L CB 0.591 42.472 42.059 -0.296 0.000 1.112 545 L HN 0.018 nan 8.230 nan 0.000 0.458 546 P HA 0.146 nan 4.420 nan 0.000 0.275 546 P C -1.006 176.129 177.300 -0.274 0.000 1.228 546 P CA -0.158 62.641 63.100 -0.502 0.000 0.786 546 P CB 1.429 32.771 31.700 -0.598 0.000 0.927 547 V N 1.893 121.705 119.914 -0.170 0.000 2.656 547 V HA 0.690 4.810 4.120 0.001 0.000 0.307 547 V C 0.294 176.346 176.094 -0.070 0.000 1.051 547 V CA -0.740 61.499 62.300 -0.101 0.000 0.893 547 V CB 1.748 33.515 31.823 -0.092 0.000 0.999 547 V HN 0.798 nan 8.190 nan 0.000 0.426 548 A N 3.413 126.206 122.820 -0.044 0.000 2.309 548 A HA 1.011 5.332 4.320 0.001 0.000 0.317 548 A C -0.438 177.105 177.584 -0.068 0.000 1.134 548 A CA -0.482 51.526 52.037 -0.048 0.000 0.866 548 A CB 1.975 20.959 19.000 -0.027 0.000 1.329 548 A HN 1.499 nan 8.150 nan 0.000 0.477 549 V N -1.987 117.875 119.914 -0.087 0.000 3.113 549 V HA 0.758 4.879 4.120 0.001 0.000 0.316 549 V C -0.487 175.540 176.094 -0.112 0.000 1.125 549 V CA -0.732 61.504 62.300 -0.106 0.000 1.026 549 V CB 1.407 33.160 31.823 -0.116 0.000 1.080 549 V HN 1.019 nan 8.190 nan 0.000 0.444 550 Q N 0.306 120.041 119.800 -0.108 0.000 2.312 550 Q HA 0.614 4.954 4.340 0.001 0.000 0.263 550 Q C -1.593 174.352 176.000 -0.092 0.000 0.995 550 Q CA -0.537 55.210 55.803 -0.093 0.000 0.853 550 Q CB 1.883 30.589 28.738 -0.052 0.000 1.300 550 Q HN 0.992 nan 8.270 nan 0.000 0.448 551 C N 3.398 122.646 119.300 -0.087 0.000 2.345 551 C HA 0.752 5.213 4.460 0.001 0.000 0.323 551 C C -0.558 174.474 174.990 0.070 0.000 1.276 551 C CA -0.672 58.351 59.018 0.007 0.000 1.543 551 C CB 0.767 28.398 27.740 -0.182 0.000 2.211 551 C HN 0.630 nan 8.230 nan 0.000 0.493 552 V N 2.538 122.545 119.914 0.155 0.000 2.735 552 V HA 0.946 5.066 4.120 0.001 0.000 0.310 552 V C 0.215 176.488 176.094 0.298 0.000 1.061 552 V CA -0.165 62.201 62.300 0.109 0.000 0.913 552 V CB 1.743 33.511 31.823 -0.091 0.000 1.005 552 V HN 1.121 nan 8.190 nan 0.000 0.428 553 A N 3.217 126.154 122.820 0.195 0.000 2.475 553 A HA 0.924 5.244 4.320 0.001 0.000 0.281 553 A C -0.866 176.489 177.584 -0.380 0.000 1.263 553 A CA -0.829 51.279 52.037 0.119 0.000 0.776 553 A CB 1.051 20.090 19.000 0.064 0.000 1.347 553 A HN 0.717 nan 8.150 nan 0.000 0.443 554 L N 0.688 121.499 121.223 -0.686 0.000 2.466 554 L HA 0.289 4.629 4.340 0.001 0.000 0.257 554 L C -2.056 174.376 176.870 -0.730 0.000 1.189 554 L CA -1.697 52.449 54.840 -1.157 0.000 0.813 554 L CB 0.259 41.720 42.059 -0.996 0.000 1.118 554 L HN 0.378 nan 8.230 nan 0.000 0.471 555 P HA -0.145 nan 4.420 nan 0.000 0.263 555 P C -0.805 176.294 177.300 -0.336 0.000 1.175 555 P CA 0.554 63.310 63.100 -0.574 0.000 0.761 555 P CB 0.050 31.449 31.700 -0.501 0.000 0.794 556 W N 0.376 121.609 121.300 -0.112 0.000 2.869 556 W HA -0.214 4.447 4.660 0.000 0.000 0.285 556 W C 0.461 176.927 176.519 -0.088 0.000 1.098 556 W CA 0.216 57.513 57.345 -0.080 0.000 0.571 556 W CB -2.554 26.856 29.460 -0.083 0.000 2.131 556 W HN 0.473 nan 8.180 nan 0.000 1.367 557 Q N 0.169 119.976 119.800 0.012 0.000 2.375 557 Q HA 0.096 4.436 4.340 0.001 0.000 0.316 557 Q C 1.179 177.185 176.000 0.011 0.000 0.927 557 Q CA -0.104 55.695 55.803 -0.006 0.000 1.029 557 Q CB 0.274 28.970 28.738 -0.070 0.000 1.202 557 Q HN 0.251 nan 8.270 nan 0.000 0.431 558 E N 0.957 121.180 120.200 0.038 0.000 2.085 558 E HA -0.224 4.126 4.350 0.001 0.000 0.194 558 E C 1.232 177.872 176.600 0.068 0.000 0.994 558 E CA 1.336 57.774 56.400 0.064 0.000 0.801 558 E CB 0.224 29.989 29.700 0.108 0.000 0.743 558 E HN 0.366 nan 8.360 nan 0.000 0.453 559 E N 0.081 120.265 120.200 -0.026 0.000 2.085 559 E HA -0.178 4.172 4.350 0.001 0.000 0.194 559 E C 1.885 178.547 176.600 0.103 0.000 0.994 559 E CA 0.837 57.188 56.400 -0.082 0.000 0.801 559 E CB -0.217 29.289 29.700 -0.324 0.000 0.743 559 E HN 0.139 nan 8.360 nan 0.000 0.453 560 L N 0.229 121.491 121.223 0.064 0.000 2.109 560 L HA -0.088 4.252 4.340 0.001 0.000 0.207 560 L C 2.217 179.179 176.870 0.152 0.000 1.086 560 L CA 1.511 56.405 54.840 0.090 0.000 0.760 560 L CB -0.703 41.384 42.059 0.046 0.000 0.910 560 L HN 0.332 nan 8.230 nan 0.000 0.437 561 C N -0.567 118.819 119.300 0.143 0.000 2.413 561 C HA -0.167 4.293 4.460 0.001 0.000 0.276 561 C C 2.741 177.852 174.990 0.203 0.000 1.236 561 C CA 1.166 60.293 59.018 0.182 0.000 1.735 561 C CB -1.096 26.715 27.740 0.119 0.000 2.031 561 C HN 0.613 nan 8.230 nan 0.000 0.474 562 L N 0.761 122.112 121.223 0.213 0.000 2.083 562 L HA -0.097 4.244 4.340 0.001 0.000 0.209 562 L C 3.036 180.131 176.870 0.376 0.000 1.083 562 L CA 1.539 56.547 54.840 0.280 0.000 0.752 562 L CB -0.857 41.373 42.059 0.285 0.000 0.899 562 L HN 0.369 nan 8.230 nan 0.000 0.433 563 R N 0.520 121.233 120.500 0.355 0.000 2.091 563 R HA -0.245 4.095 4.340 0.001 0.000 0.238 563 R C 2.304 178.709 176.300 0.175 0.000 1.136 563 R CA 1.951 58.148 56.100 0.161 0.000 0.959 563 R CB -0.766 29.583 30.300 0.083 0.000 0.856 563 R HN 0.384 nan 8.270 nan 0.000 0.437 564 F N 0.752 120.715 119.950 0.021 0.000 2.146 564 F HA -0.181 4.346 4.527 0.000 0.000 0.298 564 F C 2.341 178.131 175.800 -0.017 0.000 1.096 564 F CA 1.239 59.219 58.000 -0.033 0.000 1.275 564 F CB -0.026 38.951 39.000 -0.038 0.000 1.008 564 F HN -0.025 nan 8.300 nan 0.000 0.480 565 M N 0.043 119.592 119.600 -0.084 0.000 2.108 565 M HA -0.240 4.240 4.480 0.001 0.000 0.261 565 M C 2.305 178.555 176.300 -0.082 0.000 1.066 565 M CA 1.838 57.033 55.300 -0.175 0.000 1.107 565 M CB -0.575 31.994 32.600 -0.052 0.000 1.356 565 M HN 0.101 nan 8.290 nan 0.000 0.406 566 R N 0.506 121.026 120.500 0.033 0.000 2.091 566 R HA -0.226 4.114 4.340 0.001 0.000 0.238 566 R C 2.011 178.313 176.300 0.003 0.000 1.136 566 R CA 2.038 58.165 56.100 0.045 0.000 0.959 566 R CB -0.131 30.209 30.300 0.067 0.000 0.856 566 R HN 0.267 nan 8.270 nan 0.000 0.437 567 E N -0.264 119.940 120.200 0.006 0.000 2.051 567 E HA -0.144 4.207 4.350 0.001 0.000 0.192 567 E C 1.837 178.420 176.600 -0.028 0.000 0.991 567 E CA 1.633 58.047 56.400 0.023 0.000 0.799 567 E CB -0.082 29.664 29.700 0.076 0.000 0.748 567 E HN 0.189 nan 8.360 nan 0.000 0.449 568 V N 1.010 120.840 119.914 -0.140 0.000 2.287 568 V HA -0.274 3.846 4.120 0.001 0.000 0.248 568 V C 2.444 178.484 176.094 -0.089 0.000 1.053 568 V CA 2.290 64.490 62.300 -0.166 0.000 1.027 568 V CB -0.641 30.983 31.823 -0.332 0.000 0.646 568 V HN 0.433 nan 8.190 nan 0.000 0.447 569 E N -0.222 119.934 120.200 -0.073 0.000 2.085 569 E HA -0.303 4.047 4.350 0.001 0.000 0.194 569 E C 2.252 178.847 176.600 -0.008 0.000 0.994 569 E CA 1.705 58.086 56.400 -0.031 0.000 0.801 569 E CB -0.124 29.570 29.700 -0.009 0.000 0.743 569 E HN 0.683 nan 8.360 nan 0.000 0.453 570 Q N -0.219 119.581 119.800 0.000 0.000 2.170 570 Q HA -0.112 4.228 4.340 0.001 0.000 0.203 570 Q C 2.281 178.288 176.000 0.013 0.000 0.976 570 Q CA 1.121 56.932 55.803 0.013 0.000 0.858 570 Q CB 0.101 28.853 28.738 0.023 0.000 0.907 570 Q HN 0.407 nan 8.270 nan 0.000 0.433 571 L N -1.006 120.222 121.223 0.008 0.000 2.298 571 L HA 0.021 4.361 4.340 0.001 0.000 0.209 571 L C 1.887 178.757 176.870 0.000 0.000 1.084 571 L CA 0.248 55.095 54.840 0.011 0.000 0.816 571 L CB -0.003 42.068 42.059 0.020 0.000 0.967 571 L HN 0.265 nan 8.230 nan 0.000 0.460 572 M N -0.942 118.651 119.600 -0.011 0.000 2.514 572 M HA 0.118 4.598 4.480 0.001 0.000 0.258 572 M C 0.728 177.025 176.300 -0.005 0.000 1.159 572 M CA 0.662 55.953 55.300 -0.015 0.000 1.116 572 M CB -0.328 32.253 32.600 -0.033 0.000 1.333 572 M HN 0.156 nan 8.290 nan 0.000 0.487 573 T N -0.402 114.152 114.554 0.000 0.000 3.317 573 T HA 0.591 4.942 4.350 0.001 0.000 0.361 573 T C -2.619 172.090 174.700 0.015 0.000 1.499 573 T CA -1.268 60.838 62.100 0.011 0.000 1.529 573 T CB 0.774 69.652 68.868 0.017 0.000 0.997 573 T HN -0.041 nan 8.240 nan 0.000 0.624 574 P HA 0.000 nan 4.420 nan 0.000 0.216 574 P CA 0.000 63.109 63.100 0.016 0.000 0.800 574 P CB 0.000 31.708 31.700 0.013 0.000 0.726