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 3k84_1_B 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 -0.064 0.000 1.109 32 T CA 0.000 62.081 62.100 -0.031 0.000 1.349 32 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 33 G N 2.883 111.640 108.800 -0.071 0.000 2.184 33 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.264 33 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.264 33 G C 0.705 175.508 174.900 -0.162 0.000 0.975 33 G CA 0.339 45.380 45.100 -0.098 0.000 0.642 33 G HN 0.614 nan 8.290 nan 0.000 0.536 34 R N -0.534 119.862 120.500 -0.173 0.000 2.565 34 R HA 0.295 4.634 4.340 -0.001 0.000 0.347 34 R C 1.762 177.997 176.300 -0.107 0.000 1.010 34 R CA 0.451 56.382 56.100 -0.282 0.000 1.126 34 R CB 0.040 30.051 30.300 -0.481 0.000 1.331 34 R HN 0.566 nan 8.270 nan 0.000 0.552 35 Q N 1.411 121.177 119.800 -0.056 0.000 2.046 35 Q HA -0.087 4.252 4.340 -0.001 0.000 0.200 35 Q C 1.998 177.995 176.000 -0.006 0.000 0.975 35 Q CA 1.694 57.491 55.803 -0.010 0.000 0.836 35 Q CB 0.218 28.950 28.738 -0.011 0.000 0.896 35 Q HN 0.123 nan 8.270 nan 0.000 0.428 36 K N -0.418 119.965 120.400 -0.028 0.000 2.057 36 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 36 K C 1.919 178.511 176.600 -0.013 0.000 1.049 36 K CA 1.256 57.529 56.287 -0.023 0.000 0.931 36 K CB -0.247 32.231 32.500 -0.037 0.000 0.714 36 K HN 0.257 nan 8.250 nan 0.000 0.440 37 A N 1.479 124.278 122.820 -0.034 0.000 1.902 37 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 37 A C 2.105 179.786 177.584 0.162 0.000 1.181 37 A CA 1.505 53.555 52.037 0.020 0.000 0.623 37 A CB -0.494 18.421 19.000 -0.142 0.000 0.818 37 A HN 0.337 nan 8.150 nan 0.000 0.443 38 R N -1.032 119.585 120.500 0.195 0.000 2.120 38 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 38 R C 2.357 178.702 176.300 0.074 0.000 1.123 38 R CA 1.031 57.244 56.100 0.189 0.000 0.975 38 R CB -0.523 29.881 30.300 0.174 0.000 0.866 38 R HN 0.551 nan 8.270 nan 0.000 0.446 39 G N 0.574 109.401 108.800 0.046 0.000 2.402 39 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.216 39 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.216 39 G C 1.527 176.431 174.900 0.006 0.000 1.162 39 G CA 0.689 45.801 45.100 0.020 0.000 0.777 39 G HN 0.387 nan 8.290 nan 0.000 0.539 40 A N 1.161 123.983 122.820 0.003 0.000 1.933 40 A HA 0.284 4.604 4.320 -0.001 0.000 0.218 40 A C 2.786 180.334 177.584 -0.060 0.000 1.175 40 A CA 2.194 54.218 52.037 -0.021 0.000 0.628 40 A CB -0.703 18.284 19.000 -0.021 0.000 0.814 40 A HN 0.716 nan 8.150 nan 0.000 0.444 41 A N -1.040 121.751 122.820 -0.049 0.000 1.898 41 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 41 A C 2.309 179.836 177.584 -0.094 0.000 1.181 41 A CA 2.215 54.187 52.037 -0.109 0.000 0.620 41 A CB -1.241 17.713 19.000 -0.077 0.000 0.819 41 A HN 0.418 nan 8.150 nan 0.000 0.442 42 T N -0.129 114.400 114.554 -0.042 0.000 2.652 42 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 42 T C 2.074 176.765 174.700 -0.015 0.000 1.039 42 T CA 1.683 63.770 62.100 -0.022 0.000 1.153 42 T CB -0.260 68.606 68.868 -0.003 0.000 0.863 42 T HN 0.503 nan 8.240 nan 0.000 0.428 43 R N 0.811 121.304 120.500 -0.012 0.000 2.096 43 R HA 0.056 4.396 4.340 -0.001 0.000 0.235 43 R C 2.794 179.101 176.300 0.013 0.000 1.127 43 R CA 1.154 57.257 56.100 0.006 0.000 0.968 43 R CB -0.427 29.878 30.300 0.009 0.000 0.861 43 R HN 0.365 nan 8.270 nan 0.000 0.440 44 A N 1.275 124.067 122.820 -0.046 0.000 1.873 44 A HA -0.164 4.155 4.320 -0.001 0.000 0.215 44 A C 2.092 179.693 177.584 0.028 0.000 1.186 44 A CA 1.184 53.173 52.037 -0.079 0.000 0.616 44 A CB -0.332 18.396 19.000 -0.452 0.000 0.823 44 A HN 0.193 nan 8.150 nan 0.000 0.442 45 R N -1.095 119.383 120.500 -0.037 0.000 2.096 45 R HA -0.164 4.176 4.340 -0.001 0.000 0.235 45 R C 2.448 178.810 176.300 0.102 0.000 1.127 45 R CA 1.587 57.722 56.100 0.058 0.000 0.968 45 R CB -0.214 30.090 30.300 0.006 0.000 0.861 45 R HN 0.616 nan 8.270 nan 0.000 0.440 46 Q N 1.168 121.012 119.800 0.075 0.000 2.123 46 Q HA -0.094 4.245 4.340 -0.001 0.000 0.199 46 Q C 1.480 177.546 176.000 0.111 0.000 0.966 46 Q CA 1.662 57.513 55.803 0.080 0.000 0.845 46 Q CB 0.139 28.910 28.738 0.056 0.000 0.907 46 Q HN 0.147 nan 8.270 nan 0.000 0.439 47 K N -0.182 120.300 120.400 0.137 0.000 2.057 47 K HA -0.196 4.123 4.320 -0.001 0.000 0.207 47 K C 2.130 178.848 176.600 0.197 0.000 1.049 47 K CA 1.440 57.825 56.287 0.163 0.000 0.931 47 K CB -0.104 32.508 32.500 0.187 0.000 0.714 47 K HN 0.383 nan 8.250 nan 0.000 0.440 48 Q N 1.182 121.136 119.800 0.256 0.000 2.020 48 Q HA -0.218 4.121 4.340 -0.001 0.000 0.202 48 Q C 2.265 178.362 176.000 0.162 0.000 0.982 48 Q CA 1.509 57.446 55.803 0.223 0.000 0.838 48 Q CB -0.040 28.891 28.738 0.321 0.000 0.899 48 Q HN 0.168 nan 8.270 nan 0.000 0.423 49 R N -0.280 120.309 120.500 0.147 0.000 2.103 49 R HA -0.201 4.138 4.340 -0.001 0.000 0.242 49 R C 2.081 178.460 176.300 0.131 0.000 1.142 49 R CA 1.642 57.815 56.100 0.122 0.000 0.960 49 R CB -0.387 29.972 30.300 0.099 0.000 0.858 49 R HN 0.351 nan 8.270 nan 0.000 0.439 50 A N -0.422 122.475 122.820 0.129 0.000 1.929 50 A HA -0.066 4.253 4.320 -0.001 0.000 0.216 50 A C 2.202 179.878 177.584 0.154 0.000 1.176 50 A CA 1.562 53.674 52.037 0.126 0.000 0.628 50 A CB -0.447 18.619 19.000 0.111 0.000 0.816 50 A HN 0.412 nan 8.150 nan 0.000 0.444 51 S N -0.104 115.703 115.700 0.179 0.000 2.353 51 S HA -0.119 4.350 4.470 -0.001 0.000 0.222 51 S C 1.852 176.564 174.600 0.187 0.000 1.035 51 S CA 1.561 59.900 58.200 0.232 0.000 1.025 51 S CB -0.450 62.894 63.200 0.240 0.000 0.902 51 S HN 0.526 nan 8.310 nan 0.000 0.440 52 L N 0.930 122.262 121.223 0.181 0.000 2.083 52 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 52 L C 2.645 179.678 176.870 0.271 0.000 1.083 52 L CA 1.392 56.385 54.840 0.255 0.000 0.752 52 L CB -0.520 41.681 42.059 0.237 0.000 0.899 52 L HN 0.290 nan 8.230 nan 0.000 0.433 53 E N 0.136 120.452 120.200 0.193 0.000 2.077 53 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 53 E C 2.001 178.619 176.600 0.030 0.000 0.989 53 E CA 1.996 58.467 56.400 0.119 0.000 0.800 53 E CB -0.137 29.627 29.700 0.106 0.000 0.746 53 E HN 0.270 nan 8.360 nan 0.000 0.452 54 T N 0.452 115.044 114.554 0.064 0.000 2.746 54 T HA -0.150 4.199 4.350 -0.001 0.000 0.267 54 T C 1.851 176.504 174.700 -0.078 0.000 1.039 54 T CA 1.681 63.820 62.100 0.065 0.000 1.142 54 T CB -0.233 68.763 68.868 0.214 0.000 0.866 54 T HN 0.195 nan 8.240 nan 0.000 0.444 55 M N 0.969 120.419 119.600 -0.250 0.000 2.080 55 M HA -0.126 4.353 4.480 -0.001 0.000 0.260 55 M C 2.294 178.356 176.300 -0.396 0.000 1.068 55 M CA 1.652 56.670 55.300 -0.469 0.000 1.109 55 M CB -0.424 31.953 32.600 -0.371 0.000 1.342 55 M HN 0.113 nan 8.290 nan 0.000 0.405 56 D N 0.579 120.666 120.400 -0.522 0.000 2.104 56 D HA -0.153 4.487 4.640 -0.001 0.000 0.194 56 D C 1.826 177.866 176.300 -0.432 0.000 0.994 56 D CA 1.465 54.972 54.000 -0.822 0.000 0.830 56 D CB 0.042 40.328 40.800 -0.857 0.000 0.959 56 D HN 0.209 nan 8.370 nan 0.000 0.452 57 K N -0.049 120.207 120.400 -0.239 0.000 2.097 57 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 57 K C 2.172 178.714 176.600 -0.097 0.000 1.049 57 K CA 1.005 57.211 56.287 -0.135 0.000 0.933 57 K CB -0.162 32.304 32.500 -0.057 0.000 0.717 57 K HN 0.135 nan 8.250 nan 0.000 0.442 58 A N 1.224 124.012 122.820 -0.053 0.000 1.877 58 A HA -0.124 4.195 4.320 -0.001 0.000 0.216 58 A C 2.417 179.977 177.584 -0.040 0.000 1.186 58 A CA 1.429 53.492 52.037 0.044 0.000 0.620 58 A CB -0.672 18.483 19.000 0.259 0.000 0.822 58 A HN 0.058 nan 8.150 nan 0.000 0.443 59 V N 0.056 119.929 119.914 -0.068 0.000 2.295 59 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 59 V C 2.744 178.782 176.094 -0.093 0.000 1.049 59 V CA 2.061 64.317 62.300 -0.073 0.000 1.024 59 V CB -0.805 30.907 31.823 -0.186 0.000 0.648 59 V HN 0.530 nan 8.190 nan 0.000 0.447 60 Q N -0.182 119.521 119.800 -0.162 0.000 2.124 60 Q HA -0.203 4.136 4.340 -0.001 0.000 0.202 60 Q C 2.306 178.238 176.000 -0.113 0.000 0.977 60 Q CA 1.626 57.346 55.803 -0.138 0.000 0.850 60 Q CB -0.575 28.069 28.738 -0.155 0.000 0.901 60 Q HN 0.595 nan 8.270 nan 0.000 0.429 61 R N -0.454 119.975 120.500 -0.118 0.000 2.081 61 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 61 R C 2.156 178.354 176.300 -0.170 0.000 1.131 61 R CA 1.134 57.156 56.100 -0.129 0.000 0.960 61 R CB -0.302 29.927 30.300 -0.117 0.000 0.856 61 R HN 0.236 nan 8.270 nan 0.000 0.436 62 F N 1.207 120.940 119.950 -0.361 0.000 2.146 62 F HA -0.093 4.433 4.527 -0.001 0.000 0.298 62 F C 2.201 177.873 175.800 -0.213 0.000 1.096 62 F CA 1.442 59.199 58.000 -0.405 0.000 1.275 62 F CB -0.039 38.576 39.000 -0.642 0.000 1.008 62 F HN -0.098 nan 8.300 nan 0.000 0.480 63 R N 0.217 120.664 120.500 -0.087 0.000 2.096 63 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 63 R C 2.329 178.511 176.300 -0.197 0.000 1.127 63 R CA 1.663 57.693 56.100 -0.117 0.000 0.968 63 R CB -0.717 29.569 30.300 -0.024 0.000 0.861 63 R HN 0.371 nan 8.270 nan 0.000 0.440 64 L N 0.445 121.563 121.223 -0.175 0.000 2.079 64 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 64 L C 2.148 178.901 176.870 -0.196 0.000 1.081 64 L CA 1.367 56.114 54.840 -0.156 0.000 0.752 64 L CB -0.117 41.867 42.059 -0.126 0.000 0.896 64 L HN 0.159 nan 8.230 nan 0.000 0.433 65 Q N -0.602 119.026 119.800 -0.286 0.000 2.389 65 Q HA 0.055 4.395 4.340 -0.001 0.000 0.204 65 Q C 0.102 175.886 176.000 -0.360 0.000 0.944 65 Q CA 0.666 56.288 55.803 -0.302 0.000 0.908 65 Q CB 0.381 28.924 28.738 -0.325 0.000 1.002 65 Q HN 0.385 nan 8.270 nan 0.000 0.493 66 N N 0.134 118.550 118.700 -0.472 0.000 2.723 66 N HA 0.148 4.887 4.740 -0.001 0.000 0.290 66 N C -2.329 173.043 175.510 -0.230 0.000 1.882 66 N CA -0.735 52.067 53.050 -0.413 0.000 0.851 66 N CB 1.357 39.399 38.487 -0.742 0.000 1.234 66 N HN 0.129 nan 8.380 nan 0.000 0.491 67 P HA -0.005 nan 4.420 nan 0.000 0.225 67 P C 0.227 177.491 177.300 -0.061 0.000 1.156 67 P CA 1.053 64.096 63.100 -0.095 0.000 0.787 67 P CB 0.499 32.149 31.700 -0.084 0.000 0.802 68 D N -0.574 119.790 120.400 -0.060 0.000 2.339 68 D HA 0.063 4.702 4.640 -0.001 0.000 0.217 68 D C 0.659 176.949 176.300 -0.017 0.000 1.050 68 D CA -0.093 53.886 54.000 -0.035 0.000 0.856 68 D CB -0.323 40.457 40.800 -0.034 0.000 0.922 68 D HN 0.141 nan 8.370 nan 0.000 0.518 69 L N 1.811 123.027 121.223 -0.010 0.000 2.418 69 L HA 0.085 4.424 4.340 -0.001 0.000 0.274 69 L C 0.062 176.946 176.870 0.023 0.000 1.135 69 L CA -0.090 54.767 54.840 0.028 0.000 0.870 69 L CB 0.605 42.717 42.059 0.088 0.000 1.154 69 L HN -0.236 nan 8.230 nan 0.000 0.462 70 D N 2.329 122.739 120.400 0.017 0.000 2.383 70 D HA 0.042 4.681 4.640 -0.001 0.000 0.245 70 D C 1.069 177.367 176.300 -0.004 0.000 1.263 70 D CA 0.524 54.526 54.000 0.003 0.000 0.936 70 D CB 0.806 41.606 40.800 0.000 0.000 1.053 70 D HN 0.703 nan 8.370 nan 0.000 0.507 71 S N 2.619 118.312 115.700 -0.012 0.000 2.436 71 S HA -0.114 4.356 4.470 -0.001 0.000 0.228 71 S C 1.619 176.172 174.600 -0.079 0.000 1.014 71 S CA 0.273 58.446 58.200 -0.044 0.000 0.950 71 S CB 0.070 63.246 63.200 -0.040 0.000 0.784 71 S HN 0.310 nan 8.310 nan 0.000 0.504 72 E N 2.287 122.453 120.200 -0.057 0.000 2.077 72 E HA 0.077 4.427 4.350 -0.001 0.000 0.193 72 E C 2.283 178.852 176.600 -0.051 0.000 0.989 72 E CA 1.284 57.648 56.400 -0.059 0.000 0.800 72 E CB -0.752 28.923 29.700 -0.040 0.000 0.746 72 E HN 0.629 nan 8.360 nan 0.000 0.452 73 A N 0.605 123.405 122.820 -0.034 0.000 1.883 73 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 73 A C 2.266 179.835 177.584 -0.025 0.000 1.186 73 A CA 1.579 53.603 52.037 -0.021 0.000 0.624 73 A CB -0.854 18.141 19.000 -0.008 0.000 0.822 73 A HN 0.349 nan 8.150 nan 0.000 0.444 74 L N -0.765 120.434 121.223 -0.040 0.000 2.056 74 L HA -0.096 4.243 4.340 -0.001 0.000 0.207 74 L C 2.385 179.203 176.870 -0.087 0.000 1.078 74 L CA 1.265 56.079 54.840 -0.044 0.000 0.749 74 L CB -0.186 41.843 42.059 -0.051 0.000 0.901 74 L HN 0.421 nan 8.230 nan 0.000 0.433 75 L N -0.658 120.455 121.223 -0.183 0.000 2.156 75 L HA -0.145 4.195 4.340 -0.001 0.000 0.208 75 L C 2.469 179.285 176.870 -0.090 0.000 1.095 75 L CA 1.600 56.263 54.840 -0.294 0.000 0.770 75 L CB -0.654 41.203 42.059 -0.337 0.000 0.914 75 L HN 0.456 nan 8.230 nan 0.000 0.439 76 T N -2.871 111.654 114.554 -0.048 0.000 3.100 76 T HA 0.130 4.480 4.350 -0.001 0.000 0.253 76 T C 0.785 175.498 174.700 0.022 0.000 1.118 76 T CA -0.251 61.845 62.100 -0.006 0.000 1.058 76 T CB -0.347 68.513 68.868 -0.013 0.000 0.953 76 T HN 0.032 nan 8.240 nan 0.000 0.515 77 L N 2.737 123.978 121.223 0.030 0.000 2.559 77 L HA 0.240 4.579 4.340 -0.001 0.000 0.274 77 L C -2.071 174.836 176.870 0.062 0.000 1.205 77 L CA -1.794 53.072 54.840 0.044 0.000 0.907 77 L CB -0.093 41.996 42.059 0.049 0.000 1.153 77 L HN 0.073 nan 8.230 nan 0.000 0.490 78 P HA -0.064 nan 4.420 nan 0.000 0.266 78 P C 0.553 177.879 177.300 0.043 0.000 1.195 78 P CA -0.369 62.759 63.100 0.047 0.000 0.768 78 P CB 0.655 32.379 31.700 0.039 0.000 0.838 79 L N 4.024 125.266 121.223 0.032 0.000 2.021 79 L HA -0.204 4.135 4.340 -0.001 0.000 0.215 79 L C 1.830 178.705 176.870 0.007 0.000 1.074 79 L CA 2.009 56.853 54.840 0.008 0.000 0.760 79 L CB -1.100 40.948 42.059 -0.019 0.000 0.889 79 L HN 0.339 nan 8.230 nan 0.000 0.433 80 L N -1.063 120.168 121.223 0.013 0.000 2.131 80 L HA -0.231 4.108 4.340 -0.001 0.000 0.210 80 L C 2.580 179.464 176.870 0.024 0.000 1.092 80 L CA 1.671 56.521 54.840 0.016 0.000 0.759 80 L CB -1.091 40.984 42.059 0.026 0.000 0.903 80 L HN 0.463 nan 8.230 nan 0.000 0.435 81 Q N -0.846 118.971 119.800 0.029 0.000 2.049 81 Q HA -0.170 4.170 4.340 -0.001 0.000 0.198 81 Q C 2.116 178.136 176.000 0.033 0.000 0.971 81 Q CA 0.961 56.783 55.803 0.031 0.000 0.833 81 Q CB -0.243 28.514 28.738 0.032 0.000 0.896 81 Q HN 0.255 nan 8.270 nan 0.000 0.434 82 L N -0.277 120.967 121.223 0.035 0.000 1.990 82 L HA -0.216 4.123 4.340 -0.001 0.000 0.213 82 L C 2.006 178.890 176.870 0.023 0.000 1.072 82 L CA 1.558 56.419 54.840 0.036 0.000 0.755 82 L CB -0.621 41.465 42.059 0.045 0.000 0.889 82 L HN 0.086 nan 8.230 nan 0.000 0.432 83 V N -0.393 119.529 119.914 0.014 0.000 2.332 83 V HA -0.335 3.784 4.120 -0.001 0.000 0.248 83 V C 2.615 178.735 176.094 0.045 0.000 1.055 83 V CA 2.104 64.416 62.300 0.020 0.000 1.038 83 V CB -0.762 31.066 31.823 0.008 0.000 0.651 83 V HN 0.636 nan 8.190 nan 0.000 0.450 84 Q N 0.349 120.173 119.800 0.039 0.000 2.079 84 Q HA -0.211 4.128 4.340 -0.001 0.000 0.200 84 Q C 2.267 178.298 176.000 0.051 0.000 0.974 84 Q CA 1.737 57.566 55.803 0.043 0.000 0.840 84 Q CB -0.094 28.665 28.738 0.035 0.000 0.898 84 Q HN 0.622 nan 8.270 nan 0.000 0.430 85 K N -0.047 120.382 120.400 0.048 0.000 2.217 85 K HA -0.023 4.296 4.320 -0.001 0.000 0.202 85 K C 2.274 178.915 176.600 0.068 0.000 1.051 85 K CA 0.495 56.813 56.287 0.051 0.000 0.952 85 K CB 0.089 32.615 32.500 0.043 0.000 0.736 85 K HN 0.178 nan 8.250 nan 0.000 0.453 86 L N 0.645 121.912 121.223 0.073 0.000 2.072 86 L HA -0.172 4.168 4.340 -0.001 0.000 0.205 86 L C 2.637 179.648 176.870 0.235 0.000 1.079 86 L CA 0.988 55.893 54.840 0.108 0.000 0.752 86 L CB -0.165 41.906 42.059 0.019 0.000 0.906 86 L HN 0.109 nan 8.230 nan 0.000 0.436 87 Q N -0.051 119.863 119.800 0.189 0.000 2.167 87 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 87 Q C 2.288 178.335 176.000 0.078 0.000 0.970 87 Q CA 1.966 57.856 55.803 0.146 0.000 0.855 87 Q CB -0.144 28.648 28.738 0.089 0.000 0.911 87 Q HN 0.501 nan 8.270 nan 0.000 0.438 88 S N -2.095 113.648 115.700 0.072 0.000 2.496 88 S HA 0.205 4.675 4.470 -0.001 0.000 0.224 88 S C 1.449 176.082 174.600 0.055 0.000 0.996 88 S CA 0.648 58.877 58.200 0.049 0.000 0.927 88 S CB 0.077 63.301 63.200 0.041 0.000 0.774 88 S HN 0.670 nan 8.310 nan 0.000 0.524 89 G N 1.115 109.965 108.800 0.082 0.000 2.157 89 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.239 89 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.239 89 G C 0.507 175.448 174.900 0.069 0.000 0.982 89 G CA 0.477 45.628 45.100 0.085 0.000 0.650 89 G HN 0.581 nan 8.290 nan 0.000 0.527 90 E N -0.647 119.589 120.200 0.061 0.000 2.152 90 E HA 0.165 4.514 4.350 -0.001 0.000 0.192 90 E C 0.939 177.571 176.600 0.055 0.000 0.983 90 E CA 0.356 56.786 56.400 0.050 0.000 0.818 90 E CB 0.006 29.731 29.700 0.042 0.000 0.758 90 E HN 0.573 nan 8.360 nan 0.000 0.467 91 L N 1.209 122.468 121.223 0.060 0.000 2.346 91 L HA 0.272 4.611 4.340 -0.001 0.000 0.274 91 L C 0.001 176.912 176.870 0.068 0.000 1.007 91 L CA -0.930 53.947 54.840 0.062 0.000 0.818 91 L CB 1.897 43.986 42.059 0.049 0.000 1.284 91 L HN 0.007 nan 8.230 nan 0.000 0.424 92 S N 1.402 117.150 115.700 0.079 0.000 2.610 92 S HA 0.400 4.869 4.470 -0.001 0.000 0.273 92 S C -2.049 172.568 174.600 0.029 0.000 1.274 92 S CA -1.192 57.057 58.200 0.081 0.000 1.023 92 S CB 1.452 64.723 63.200 0.117 0.000 0.962 92 S HN 0.396 nan 8.310 nan 0.000 0.523 93 P HA -0.038 nan 4.420 nan 0.000 0.218 93 P C 0.829 178.092 177.300 -0.061 0.000 1.149 93 P CA 1.096 64.114 63.100 -0.137 0.000 0.817 93 P CB 0.018 31.568 31.700 -0.250 0.000 0.785 94 E N 0.000 120.226 120.200 0.043 0.000 2.047 94 E HA -0.103 4.246 4.350 -0.001 0.000 0.191 94 E C 2.212 178.851 176.600 0.066 0.000 0.987 94 E CA 1.415 57.908 56.400 0.156 0.000 0.799 94 E CB -1.135 28.784 29.700 0.365 0.000 0.752 94 E HN 0.118 nan 8.360 nan 0.000 0.449 95 A N 0.711 123.605 122.820 0.123 0.000 1.883 95 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 95 A C 2.504 180.043 177.584 -0.075 0.000 1.186 95 A CA 1.705 53.798 52.037 0.093 0.000 0.624 95 A CB -0.895 18.232 19.000 0.211 0.000 0.822 95 A HN 0.155 nan 8.150 nan 0.000 0.444 96 V N -1.358 118.538 119.914 -0.030 0.000 2.358 96 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 96 V C 2.254 178.306 176.094 -0.070 0.000 1.047 96 V CA 2.011 64.303 62.300 -0.014 0.000 1.035 96 V CB -0.949 30.875 31.823 0.002 0.000 0.658 96 V HN 0.635 nan 8.190 nan 0.000 0.452 97 F N 0.478 120.233 119.950 -0.325 0.000 2.051 97 F HA -0.217 4.309 4.527 -0.001 0.000 0.296 97 F C 2.093 177.551 175.800 -0.570 0.000 1.122 97 F CA 2.023 59.712 58.000 -0.518 0.000 1.201 97 F CB -0.325 38.266 39.000 -0.681 0.000 0.978 97 F HN 0.128 nan 8.300 nan 0.000 0.472 98 F N 0.458 120.083 119.950 -0.542 0.000 2.234 98 F HA -0.123 4.403 4.527 -0.001 0.000 0.299 98 F C 2.511 177.979 175.800 -0.554 0.000 1.087 98 F CA 1.573 59.154 58.000 -0.698 0.000 1.340 98 F CB -1.405 36.999 39.000 -0.994 0.000 1.031 98 F HN -0.078 nan 8.300 nan 0.000 0.500 99 T N -1.127 113.237 114.554 -0.317 0.000 2.708 99 T HA -0.228 4.121 4.350 -0.001 0.000 0.266 99 T C 1.712 176.233 174.700 -0.298 0.000 1.037 99 T CA 1.520 63.485 62.100 -0.225 0.000 1.146 99 T CB -0.604 68.151 68.868 -0.189 0.000 0.865 99 T HN 0.158 nan 8.240 nan 0.000 0.435 100 Y N 0.715 120.809 120.300 -0.342 0.000 2.224 100 Y HA 0.009 4.558 4.550 -0.001 0.000 0.289 100 Y C 2.149 177.808 175.900 -0.401 0.000 1.146 100 Y CA 0.449 58.327 58.100 -0.370 0.000 1.182 100 Y CB -0.481 37.680 38.460 -0.499 0.000 0.983 100 Y HN 0.089 nan 8.280 nan 0.000 0.524 101 L N -0.391 120.552 121.223 -0.466 0.000 2.046 101 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 101 L C 2.439 179.254 176.870 -0.092 0.000 1.077 101 L CA 2.188 56.807 54.840 -0.369 0.000 0.747 101 L CB -1.133 40.537 42.059 -0.648 0.000 0.896 101 L HN 0.196 nan 8.230 nan 0.000 0.432 102 G N -1.041 107.698 108.800 -0.102 0.000 2.421 102 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.216 102 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.216 102 G C 1.668 176.624 174.900 0.093 0.000 1.171 102 G CA 0.911 46.010 45.100 -0.001 0.000 0.775 102 G HN 0.324 nan 8.290 nan 0.000 0.543 103 K N 1.178 121.582 120.400 0.006 0.000 2.057 103 K HA 0.105 4.425 4.320 -0.001 0.000 0.207 103 K C 2.678 179.332 176.600 0.090 0.000 1.049 103 K CA 1.574 57.871 56.287 0.017 0.000 0.931 103 K CB -0.706 31.740 32.500 -0.090 0.000 0.714 103 K HN 0.180 nan 8.250 nan 0.000 0.440 104 A N -0.189 122.719 122.820 0.145 0.000 1.883 104 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 104 A C 2.193 179.868 177.584 0.152 0.000 1.186 104 A CA 1.725 53.876 52.037 0.189 0.000 0.624 104 A CB -1.318 17.890 19.000 0.348 0.000 0.822 104 A HN 0.679 nan 8.150 nan 0.000 0.444 105 W N 0.846 122.139 121.300 -0.012 0.000 2.338 105 W HA -0.184 4.476 4.660 -0.001 0.000 0.304 105 W C 2.049 178.552 176.519 -0.027 0.000 1.212 105 W CA 2.067 59.392 57.345 -0.034 0.000 1.264 105 W CB -0.109 29.317 29.460 -0.058 0.000 1.142 105 W HN 0.503 nan 8.180 nan 0.000 0.512 106 E N -0.287 120.006 120.200 0.155 0.000 2.028 106 E HA -0.251 4.098 4.350 -0.001 0.000 0.191 106 E C 2.251 178.774 176.600 -0.128 0.000 0.988 106 E CA 2.343 58.734 56.400 -0.016 0.000 0.799 106 E CB -0.703 29.063 29.700 0.109 0.000 0.755 106 E HN 0.306 nan 8.360 nan 0.000 0.447 107 V N 0.211 120.088 119.914 -0.063 0.000 2.515 107 V HA -0.211 3.908 4.120 -0.001 0.000 0.250 107 V C 1.901 177.932 176.094 -0.104 0.000 1.058 107 V CA 2.099 64.355 62.300 -0.073 0.000 1.064 107 V CB -0.719 31.085 31.823 -0.032 0.000 0.675 107 V HN 0.147 nan 8.190 nan 0.000 0.461 108 N N 1.079 119.700 118.700 -0.132 0.000 2.272 108 N HA -0.194 4.545 4.740 -0.001 0.000 0.185 108 N C 1.749 177.138 175.510 -0.203 0.000 1.014 108 N CA 1.792 54.748 53.050 -0.157 0.000 0.870 108 N CB -0.397 37.981 38.487 -0.181 0.000 0.975 108 N HN 0.609 nan 8.380 nan 0.000 0.433 109 K N -1.140 119.088 120.400 -0.287 0.000 2.063 109 K HA -0.075 4.244 4.320 -0.001 0.000 0.208 109 K C 1.777 178.283 176.600 -0.157 0.000 1.048 109 K CA 1.406 57.531 56.287 -0.271 0.000 0.928 109 K CB -0.305 32.000 32.500 -0.324 0.000 0.713 109 K HN 0.319 nan 8.250 nan 0.000 0.442 110 G N 0.081 108.807 108.800 -0.124 0.000 2.838 110 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.210 110 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.210 110 G C 1.280 176.148 174.900 -0.055 0.000 1.153 110 G CA 0.816 45.868 45.100 -0.080 0.000 0.778 110 G HN 0.408 nan 8.290 nan 0.000 0.539 111 T N -3.299 111.221 114.554 -0.058 0.000 2.954 111 T HA 0.117 4.466 4.350 -0.001 0.000 0.252 111 T C 0.931 175.616 174.700 -0.024 0.000 0.983 111 T CA 0.508 62.591 62.100 -0.028 0.000 0.941 111 T CB -0.089 68.767 68.868 -0.020 0.000 1.141 111 T HN 0.170 nan 8.240 nan 0.000 0.500 112 N N 0.901 119.573 118.700 -0.046 0.000 2.705 112 N HA -0.207 4.532 4.740 -0.001 0.000 0.255 112 N C 0.714 176.211 175.510 -0.022 0.000 1.008 112 N CA 0.694 53.724 53.050 -0.033 0.000 0.742 112 N CB -1.807 36.676 38.487 -0.007 0.000 0.906 112 N HN 0.814 nan 8.380 nan 0.000 0.541 113 C N -3.002 116.276 119.300 -0.037 0.000 2.735 113 C HA 0.484 4.943 4.460 -0.001 0.000 0.271 113 C C 0.952 175.900 174.990 -0.070 0.000 1.281 113 C CA -0.403 58.594 59.018 -0.035 0.000 1.719 113 C CB -0.745 26.981 27.740 -0.022 0.000 2.024 113 C HN 0.244 nan 8.230 nan 0.000 0.566 114 V N 3.033 122.896 119.914 -0.086 0.000 2.383 114 V HA 0.367 4.486 4.120 -0.001 0.000 0.275 114 V C 1.539 177.528 176.094 -0.174 0.000 1.036 114 V CA 0.925 63.156 62.300 -0.116 0.000 0.889 114 V CB 1.287 33.063 31.823 -0.078 0.000 0.985 114 V HN 0.654 nan 8.190 nan 0.000 0.459 115 T N 0.374 114.750 114.554 -0.298 0.000 3.031 115 T HA 0.143 4.492 4.350 -0.001 0.000 0.254 115 T C 0.741 175.238 174.700 -0.339 0.000 1.060 115 T CA 0.570 62.285 62.100 -0.642 0.000 1.135 115 T CB 0.397 68.517 68.868 -1.247 0.000 0.896 115 T HN 0.581 nan 8.240 nan 0.000 0.472 116 S N -0.409 115.217 115.700 -0.123 0.000 2.543 116 S HA 0.460 4.929 4.470 -0.001 0.000 0.271 116 S C -1.911 172.719 174.600 0.050 0.000 1.148 116 S CA -1.003 57.224 58.200 0.045 0.000 0.914 116 S CB 1.238 64.533 63.200 0.158 0.000 1.096 116 S HN 0.455 nan 8.310 nan 0.000 0.471 117 Y N 5.394 125.695 120.300 0.002 0.000 2.365 117 Y HA 0.516 5.066 4.550 -0.001 0.000 0.340 117 Y C -0.228 175.636 175.900 -0.059 0.000 1.016 117 Y CA -0.812 57.275 58.100 -0.022 0.000 1.196 117 Y CB 0.571 39.079 38.460 0.081 0.000 1.167 117 Y HN 0.600 nan 8.280 nan 0.000 0.509 118 L N 7.891 128.778 121.223 -0.560 0.000 2.384 118 L HA 0.050 4.389 4.340 -0.001 0.000 0.258 118 L C 1.273 177.729 176.870 -0.689 0.000 1.266 118 L CA -0.115 54.218 54.840 -0.846 0.000 1.162 118 L CB -0.252 41.038 42.059 -1.283 0.000 1.375 118 L HN 0.873 nan 8.230 nan 0.000 0.420 119 T N -0.479 113.779 114.554 -0.494 0.000 2.802 119 T HA -0.203 4.146 4.350 -0.001 0.000 0.269 119 T C 1.153 175.726 174.700 -0.213 0.000 1.062 119 T CA 1.766 63.589 62.100 -0.461 0.000 1.133 119 T CB -0.191 68.632 68.868 -0.076 0.000 0.852 119 T HN 0.596 nan 8.240 nan 0.000 0.485 120 D N 0.925 121.288 120.400 -0.063 0.000 2.271 120 D HA -0.106 4.533 4.640 -0.001 0.000 0.207 120 D C 2.162 178.427 176.300 -0.058 0.000 0.983 120 D CA 1.098 55.107 54.000 0.015 0.000 0.878 120 D CB -0.751 40.152 40.800 0.173 0.000 0.920 120 D HN 0.704 nan 8.370 nan 0.000 0.479 121 C N -0.387 118.824 119.300 -0.149 0.000 2.522 121 C HA 0.170 4.630 4.460 -0.001 0.000 0.271 121 C C 1.988 176.735 174.990 -0.405 0.000 1.425 121 C CA -0.527 58.369 59.018 -0.204 0.000 1.751 121 C CB -0.921 26.735 27.740 -0.140 0.000 1.775 121 C HN 0.184 nan 8.230 nan 0.000 0.557 122 E N 1.748 121.771 120.200 -0.294 0.000 2.170 122 E HA -0.088 4.261 4.350 -0.001 0.000 0.191 122 E C 2.394 178.887 176.600 -0.179 0.000 0.981 122 E CA 1.695 57.910 56.400 -0.308 0.000 0.830 122 E CB -0.041 29.638 29.700 -0.036 0.000 0.775 122 E HN 0.914 nan 8.360 nan 0.000 0.470 123 T N -0.538 113.953 114.554 -0.105 0.000 2.857 123 T HA -0.188 4.161 4.350 -0.001 0.000 0.266 123 T C 2.010 176.659 174.700 -0.086 0.000 1.048 123 T CA 1.113 63.173 62.100 -0.066 0.000 1.139 123 T CB -0.097 68.752 68.868 -0.031 0.000 0.874 123 T HN -0.034 nan 8.240 nan 0.000 0.455 124 Q N 1.347 121.081 119.800 -0.109 0.000 2.124 124 Q HA 0.067 4.406 4.340 -0.001 0.000 0.202 124 Q C 2.186 178.099 176.000 -0.145 0.000 0.977 124 Q CA 1.278 57.019 55.803 -0.103 0.000 0.850 124 Q CB -0.937 27.752 28.738 -0.082 0.000 0.901 124 Q HN 0.645 nan 8.270 nan 0.000 0.429 125 L N 0.185 121.253 121.223 -0.258 0.000 2.043 125 L HA -0.196 4.144 4.340 -0.001 0.000 0.212 125 L C 1.930 178.704 176.870 -0.160 0.000 1.075 125 L CA 1.999 56.650 54.840 -0.315 0.000 0.752 125 L CB -0.460 41.260 42.059 -0.565 0.000 0.891 125 L HN 0.508 nan 8.230 nan 0.000 0.432 126 S N -2.217 113.421 115.700 -0.103 0.000 2.593 126 S HA -0.028 4.442 4.470 -0.001 0.000 0.217 126 S C 1.372 175.975 174.600 0.004 0.000 0.966 126 S CA 0.027 58.212 58.200 -0.024 0.000 0.914 126 S CB 0.198 63.392 63.200 -0.010 0.000 0.776 126 S HN 0.617 nan 8.310 nan 0.000 0.523 127 Q N 0.552 120.345 119.800 -0.011 0.000 2.189 127 Q HA 0.460 4.800 4.340 -0.001 0.000 0.223 127 Q C 0.218 176.232 176.000 0.024 0.000 0.828 127 Q CA -0.112 55.693 55.803 0.003 0.000 0.967 127 Q CB 0.869 29.596 28.738 -0.018 0.000 1.139 127 Q HN 0.635 nan 8.270 nan 0.000 0.497 128 A N 3.013 125.866 122.820 0.054 0.000 2.537 128 A HA 0.185 4.505 4.320 -0.001 0.000 0.260 128 A C -2.226 175.463 177.584 0.175 0.000 1.082 128 A CA -0.878 51.225 52.037 0.110 0.000 0.765 128 A CB -0.363 18.702 19.000 0.109 0.000 1.019 128 A HN -0.005 nan 8.150 nan 0.000 0.507 129 P HA 0.016 nan 4.420 nan 0.000 0.260 129 P C 0.784 178.054 177.300 -0.050 0.000 1.172 129 P CA 0.161 63.270 63.100 0.015 0.000 0.760 129 P CB 0.529 32.233 31.700 0.006 0.000 0.773 130 R N 3.354 123.714 120.500 -0.234 0.000 2.115 130 R HA -0.094 4.245 4.340 -0.001 0.000 0.226 130 R C 1.275 177.287 176.300 -0.480 0.000 1.100 130 R CA 1.806 57.523 56.100 -0.639 0.000 0.980 130 R CB -0.446 29.585 30.300 -0.449 0.000 0.875 130 R HN 0.375 nan 8.270 nan 0.000 0.445 131 Q N -0.509 119.166 119.800 -0.208 0.000 2.320 131 Q HA 0.302 4.642 4.340 -0.001 0.000 0.201 131 Q C 0.018 175.995 176.000 -0.038 0.000 0.910 131 Q CA 0.451 56.188 55.803 -0.110 0.000 0.946 131 Q CB 0.849 29.546 28.738 -0.069 0.000 1.062 131 Q HN 0.339 nan 8.270 nan 0.000 0.503 132 G N -0.093 108.702 108.800 -0.008 0.000 2.432 132 G HA2 0.065 4.024 3.960 -0.001 0.000 0.239 132 G HA3 0.065 4.024 3.960 -0.001 0.000 0.239 132 G C 0.482 175.420 174.900 0.063 0.000 1.291 132 G CA -0.390 44.739 45.100 0.050 0.000 0.863 132 G HN 0.329 nan 8.290 nan 0.000 0.560 133 L N 1.169 122.411 121.223 0.033 0.000 2.291 133 L HA 0.070 4.409 4.340 -0.001 0.000 0.214 133 L C 1.719 178.597 176.870 0.014 0.000 1.120 133 L CA 0.719 55.567 54.840 0.014 0.000 0.799 133 L CB -0.202 41.846 42.059 -0.019 0.000 0.925 133 L HN 0.426 nan 8.230 nan 0.000 0.446 134 L N -1.150 120.084 121.223 0.019 0.000 3.017 134 L HA 0.150 4.489 4.340 -0.001 0.000 0.255 134 L C 0.155 177.036 176.870 0.019 0.000 1.247 134 L CA -0.625 54.213 54.840 -0.003 0.000 1.038 134 L CB -0.215 41.821 42.059 -0.039 0.000 1.380 134 L HN 0.080 nan 8.230 nan 0.000 0.548 135 Y N 1.367 121.643 120.300 -0.040 0.000 2.802 135 Y HA 0.112 4.662 4.550 -0.001 0.000 0.333 135 Y C 1.511 177.387 175.900 -0.039 0.000 1.244 135 Y CA 1.122 59.199 58.100 -0.038 0.000 1.558 135 Y CB 0.495 38.939 38.460 -0.026 0.000 1.233 135 Y HN 0.389 nan 8.280 nan 0.000 0.547 136 G N 3.603 111.967 108.800 -0.727 0.000 2.184 136 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.264 136 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.264 136 G C -0.330 174.386 174.900 -0.307 0.000 0.975 136 G CA 0.158 44.878 45.100 -0.634 0.000 0.642 136 G HN 0.736 nan 8.290 nan 0.000 0.536 137 V N 2.475 122.260 119.914 -0.216 0.000 2.408 137 V HA 0.389 4.508 4.120 -0.001 0.000 0.267 137 V C -1.597 174.400 176.094 -0.162 0.000 1.047 137 V CA -1.364 60.830 62.300 -0.176 0.000 0.937 137 V CB 1.362 33.105 31.823 -0.134 0.000 0.999 137 V HN 0.123 nan 8.190 nan 0.000 0.472 138 P HA 0.251 nan 4.420 nan 0.000 0.276 138 P C -0.783 176.504 177.300 -0.021 0.000 1.235 138 P CA 0.026 63.013 63.100 -0.188 0.000 0.772 138 P CB 0.857 32.174 31.700 -0.638 0.000 0.871 139 V N 3.102 123.136 119.914 0.199 0.000 2.656 139 V HA 0.398 4.517 4.120 -0.001 0.000 0.307 139 V C 0.150 176.276 176.094 0.054 0.000 1.051 139 V CA -0.539 61.815 62.300 0.090 0.000 0.893 139 V CB 2.075 33.878 31.823 -0.033 0.000 0.999 139 V HN 0.595 nan 8.190 nan 0.000 0.426 140 S N 5.430 121.079 115.700 -0.086 0.000 2.578 140 S HA 0.835 5.305 4.470 -0.001 0.000 0.283 140 S C -0.783 173.691 174.600 -0.210 0.000 1.195 140 S CA -0.715 57.310 58.200 -0.292 0.000 1.050 140 S CB 1.297 64.332 63.200 -0.275 0.000 1.012 140 S HN 0.511 nan 8.310 nan 0.000 0.511 141 L N 1.797 122.909 121.223 -0.185 0.000 2.356 141 L HA 0.511 4.850 4.340 -0.001 0.000 0.277 141 L C 0.168 177.106 176.870 0.113 0.000 0.996 141 L CA -0.866 53.932 54.840 -0.070 0.000 0.822 141 L CB 1.905 43.973 42.059 0.015 0.000 1.256 141 L HN 0.742 nan 8.230 nan 0.000 0.413 142 K N 2.235 122.760 120.400 0.209 0.000 2.527 142 K HA -0.080 4.240 4.320 -0.001 0.000 0.278 142 K C 1.081 177.776 176.600 0.158 0.000 0.981 142 K CA 0.197 56.622 56.287 0.230 0.000 1.009 142 K CB 0.670 33.365 32.500 0.324 0.000 0.895 142 K HN 0.647 nan 8.250 nan 0.000 0.493 143 E N 2.617 122.752 120.200 -0.108 0.000 2.267 143 E HA -0.217 4.132 4.350 -0.001 0.000 0.197 143 E C 1.414 177.746 176.600 -0.448 0.000 0.998 143 E CA 1.491 57.571 56.400 -0.533 0.000 0.830 143 E CB -0.071 29.437 29.700 -0.320 0.000 0.751 143 E HN 0.795 nan 8.360 nan 0.000 0.491 144 C N -0.581 118.614 119.300 -0.175 0.000 2.500 144 C HA 0.168 4.628 4.460 -0.001 0.000 0.273 144 C C 1.032 175.917 174.990 -0.175 0.000 1.428 144 C CA -0.823 58.093 59.018 -0.171 0.000 1.766 144 C CB -1.669 25.950 27.740 -0.203 0.000 1.817 144 C HN 0.024 nan 8.230 nan 0.000 0.543 145 F N 3.373 123.335 119.950 0.021 0.000 2.462 145 F HA 0.267 4.793 4.527 -0.001 0.000 0.360 145 F C 1.096 177.036 175.800 0.233 0.000 1.134 145 F CA 0.225 58.299 58.000 0.123 0.000 1.148 145 F CB 0.101 39.184 39.000 0.138 0.000 1.147 145 F HN 0.070 nan 8.300 nan 0.000 0.550 146 S N 3.715 119.582 115.700 0.279 0.000 2.552 146 S HA 0.038 4.507 4.470 -0.001 0.000 0.289 146 S C -0.836 173.955 174.600 0.319 0.000 1.304 146 S CA 0.066 58.427 58.200 0.269 0.000 1.063 146 S CB 0.146 63.438 63.200 0.155 0.000 0.848 146 S HN 0.514 nan 8.310 nan 0.000 0.499 147 Y N 2.204 122.625 120.300 0.201 0.000 2.354 147 Y HA 0.320 4.869 4.550 -0.001 0.000 0.330 147 Y C -0.097 175.877 175.900 0.125 0.000 1.011 147 Y CA -0.928 57.221 58.100 0.081 0.000 1.099 147 Y CB 0.989 39.358 38.460 -0.152 0.000 1.179 147 Y HN 0.610 nan 8.280 nan 0.000 0.442 148 K N 3.764 124.035 120.400 -0.215 0.000 2.491 148 K HA 0.247 4.566 4.320 -0.001 0.000 0.279 148 K C 1.042 177.748 176.600 0.176 0.000 1.026 148 K CA 1.743 58.005 56.287 -0.042 0.000 1.070 148 K CB -0.214 32.189 32.500 -0.161 0.000 0.887 148 K HN 1.117 nan 8.250 nan 0.000 0.481 149 G N 3.050 111.934 108.800 0.141 0.000 2.176 149 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.253 149 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.253 149 G C -0.230 174.671 174.900 0.002 0.000 0.979 149 G CA 0.062 45.210 45.100 0.080 0.000 0.641 149 G HN 0.788 nan 8.290 nan 0.000 0.530 150 H N 0.632 119.800 119.070 0.164 0.000 2.524 150 H HA 0.384 4.939 4.556 -0.001 0.000 0.353 150 H C -0.737 174.711 175.328 0.199 0.000 1.136 150 H CA -0.849 55.314 56.048 0.192 0.000 1.193 150 H CB 1.563 31.463 29.762 0.230 0.000 1.558 150 H HN 0.136 nan 8.280 nan 0.000 0.515 151 D N 0.941 121.503 120.400 0.270 0.000 2.414 151 D HA 0.039 4.678 4.640 -0.001 0.000 0.242 151 D C -0.176 176.256 176.300 0.221 0.000 1.129 151 D CA 0.414 54.541 54.000 0.213 0.000 0.885 151 D CB 0.796 41.712 40.800 0.192 0.000 1.198 151 D HN 0.289 nan 8.370 nan 0.000 0.437 152 S N 0.354 116.136 115.700 0.136 0.000 2.328 152 S HA 0.109 4.578 4.470 -0.001 0.000 0.204 152 S C 1.440 176.074 174.600 0.056 0.000 1.475 152 S CA -0.600 57.627 58.200 0.044 0.000 1.148 152 S CB 0.597 63.811 63.200 0.023 0.000 1.077 152 S HN 0.532 nan 8.310 nan 0.000 0.479 153 T N 0.331 114.945 114.554 0.099 0.000 2.857 153 T HA -0.007 4.343 4.350 -0.001 0.000 0.266 153 T C 1.099 175.828 174.700 0.049 0.000 1.048 153 T CA 0.537 62.695 62.100 0.097 0.000 1.139 153 T CB -0.697 68.274 68.868 0.172 0.000 0.874 153 T HN 0.593 nan 8.240 nan 0.000 0.455 154 L N 0.357 121.612 121.223 0.055 0.000 4.232 154 L HA -0.224 4.115 4.340 -0.001 0.000 0.415 154 L C 1.446 178.343 176.870 0.045 0.000 1.168 154 L CA 0.328 55.189 54.840 0.035 0.000 0.966 154 L CB -2.601 39.458 42.059 0.000 0.000 2.052 154 L HN 0.721 nan 8.230 nan 0.000 0.887 155 G N -0.581 108.273 108.800 0.091 0.000 2.184 155 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.264 155 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.264 155 G C 0.124 175.003 174.900 -0.035 0.000 0.975 155 G CA 0.593 45.725 45.100 0.055 0.000 0.642 155 G HN 0.335 nan 8.290 nan 0.000 0.536 156 L N 0.649 121.827 121.223 -0.075 0.000 2.307 156 L HA 0.553 4.892 4.340 -0.001 0.000 0.282 156 L C 1.802 178.616 176.870 -0.094 0.000 1.051 156 L CA 0.113 54.864 54.840 -0.149 0.000 0.804 156 L CB 1.628 43.543 42.059 -0.240 0.000 1.197 156 L HN 0.135 nan 8.230 nan 0.000 0.431 157 S N 3.018 118.666 115.700 -0.087 0.000 2.370 157 S HA -0.160 4.309 4.470 -0.001 0.000 0.226 157 S C 1.732 176.300 174.600 -0.053 0.000 1.033 157 S CA 1.798 59.965 58.200 -0.055 0.000 1.011 157 S CB -0.267 62.909 63.200 -0.040 0.000 0.852 157 S HN 0.637 nan 8.310 nan 0.000 0.457 158 L N 0.095 121.275 121.223 -0.072 0.000 2.353 158 L HA 0.081 4.421 4.340 -0.001 0.000 0.220 158 L C 1.018 177.870 176.870 -0.030 0.000 1.133 158 L CA 1.506 56.314 54.840 -0.053 0.000 0.798 158 L CB -0.550 41.470 42.059 -0.065 0.000 0.922 158 L HN 0.145 nan 8.230 nan 0.000 0.445 159 N N 0.277 118.961 118.700 -0.027 0.000 2.270 159 N HA 0.052 4.792 4.740 -0.001 0.000 0.198 159 N C 0.059 175.584 175.510 0.025 0.000 1.117 159 N CA 0.176 53.229 53.050 0.005 0.000 0.845 159 N CB 0.072 38.565 38.487 0.009 0.000 0.980 159 N HN 0.492 nan 8.380 nan 0.000 0.486 160 E N 0.312 120.519 120.200 0.011 0.000 2.301 160 E HA 0.310 4.660 4.350 -0.001 0.000 0.275 160 E C 0.511 177.126 176.600 0.025 0.000 1.030 160 E CA -0.176 56.238 56.400 0.023 0.000 0.852 160 E CB 0.822 30.519 29.700 -0.005 0.000 1.060 160 E HN 0.340 nan 8.360 nan 0.000 0.401 161 G N 4.626 113.450 108.800 0.039 0.000 2.198 161 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.260 161 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.260 161 G C 0.189 175.107 174.900 0.031 0.000 1.025 161 G CA 0.513 45.632 45.100 0.032 0.000 0.769 161 G HN 0.357 nan 8.290 nan 0.000 0.507 162 M N 0.965 120.590 119.600 0.042 0.000 2.488 162 M HA 0.262 4.741 4.480 -0.001 0.000 0.204 162 M C -2.517 173.819 176.300 0.060 0.000 0.969 162 M CA -1.950 53.374 55.300 0.040 0.000 0.720 162 M CB 0.956 33.577 32.600 0.035 0.000 1.427 162 M HN 0.048 nan 8.290 nan 0.000 0.427 163 P HA 0.115 nan 4.420 nan 0.000 0.275 163 P C 0.104 177.452 177.300 0.081 0.000 1.228 163 P CA 0.010 63.157 63.100 0.078 0.000 0.786 163 P CB 0.913 32.641 31.700 0.046 0.000 0.927 164 S N 1.312 117.083 115.700 0.119 0.000 2.549 164 S HA 0.027 4.497 4.470 -0.001 0.000 0.279 164 S C 1.129 175.767 174.600 0.065 0.000 1.321 164 S CA -0.210 58.050 58.200 0.100 0.000 1.054 164 S CB -0.146 63.138 63.200 0.140 0.000 0.899 164 S HN 0.361 nan 8.310 nan 0.000 0.497 165 E N 2.072 122.294 120.200 0.038 0.000 2.427 165 E HA 0.044 4.393 4.350 -0.001 0.000 0.196 165 E C 0.307 176.906 176.600 -0.002 0.000 1.028 165 E CA 0.420 56.830 56.400 0.016 0.000 0.864 165 E CB 0.240 29.945 29.700 0.010 0.000 0.813 165 E HN 0.721 nan 8.360 nan 0.000 0.514 166 S N -0.310 115.387 115.700 -0.005 0.000 2.587 166 S HA 0.215 4.684 4.470 -0.001 0.000 0.269 166 S C -1.382 173.185 174.600 -0.055 0.000 1.154 166 S CA -1.264 56.910 58.200 -0.042 0.000 0.824 166 S CB 1.506 64.687 63.200 -0.030 0.000 1.118 166 S HN -0.198 nan 8.310 nan 0.000 0.462 167 D N 1.593 121.915 120.400 -0.129 0.000 2.414 167 D HA 0.326 4.965 4.640 -0.001 0.000 0.242 167 D C 1.057 177.349 176.300 -0.012 0.000 1.129 167 D CA -0.195 53.727 54.000 -0.129 0.000 0.885 167 D CB 0.409 41.079 40.800 -0.216 0.000 1.198 167 D HN 0.900 nan 8.370 nan 0.000 0.437 168 C N 0.101 119.439 119.300 0.064 0.000 2.639 168 C HA 0.187 4.646 4.460 -0.001 0.000 0.360 168 C C 2.180 177.218 174.990 0.081 0.000 1.351 168 C CA -0.906 58.170 59.018 0.096 0.000 2.408 168 C CB -0.027 27.812 27.740 0.165 0.000 2.517 168 C HN 0.485 nan 8.230 nan 0.000 0.696 169 V N 2.189 122.154 119.914 0.085 0.000 2.287 169 V HA -0.204 3.915 4.120 -0.001 0.000 0.248 169 V C 2.630 178.762 176.094 0.064 0.000 1.053 169 V CA 2.698 65.037 62.300 0.065 0.000 1.027 169 V CB -0.872 30.996 31.823 0.075 0.000 0.646 169 V HN 0.993 nan 8.190 nan 0.000 0.447 170 V N -2.221 117.759 119.914 0.111 0.000 2.427 170 V HA -0.148 3.972 4.120 -0.001 0.000 0.248 170 V C 2.217 178.331 176.094 0.033 0.000 1.051 170 V CA 1.855 64.206 62.300 0.084 0.000 1.048 170 V CB -0.879 31.029 31.823 0.142 0.000 0.666 170 V HN 0.292 nan 8.190 nan 0.000 0.456 171 V N 0.618 120.572 119.914 0.067 0.000 2.343 171 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 171 V C 2.897 178.984 176.094 -0.012 0.000 1.051 171 V CA 2.556 64.879 62.300 0.037 0.000 1.036 171 V CB -0.902 30.982 31.823 0.100 0.000 0.654 171 V HN 0.589 nan 8.190 nan 0.000 0.451 172 Q N -0.531 119.254 119.800 -0.025 0.000 2.096 172 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 172 Q C 2.305 178.252 176.000 -0.088 0.000 0.982 172 Q CA 1.966 57.730 55.803 -0.064 0.000 0.850 172 Q CB -0.335 28.371 28.738 -0.055 0.000 0.901 172 Q HN 0.577 nan 8.270 nan 0.000 0.422 173 V N 0.918 120.795 119.914 -0.061 0.000 2.453 173 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 173 V C 2.197 178.249 176.094 -0.069 0.000 1.048 173 V CA 1.220 63.476 62.300 -0.073 0.000 1.049 173 V CB -0.507 31.294 31.823 -0.037 0.000 0.672 173 V HN 0.324 nan 8.190 nan 0.000 0.457 174 L N -0.271 120.918 121.223 -0.056 0.000 2.012 174 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 174 L C 2.668 179.507 176.870 -0.052 0.000 1.073 174 L CA 1.912 56.719 54.840 -0.054 0.000 0.748 174 L CB -0.593 41.432 42.059 -0.056 0.000 0.891 174 L HN 0.288 nan 8.230 nan 0.000 0.431 175 K N -0.048 120.319 120.400 -0.055 0.000 2.057 175 K HA -0.161 4.158 4.320 -0.001 0.000 0.207 175 K C 2.040 178.593 176.600 -0.078 0.000 1.049 175 K CA 1.175 57.427 56.287 -0.057 0.000 0.931 175 K CB -0.207 32.256 32.500 -0.062 0.000 0.714 175 K HN 0.256 nan 8.250 nan 0.000 0.440 176 L N 0.901 122.043 121.223 -0.135 0.000 2.275 176 L HA -0.144 4.195 4.340 -0.001 0.000 0.215 176 L C 1.915 178.732 176.870 -0.089 0.000 1.119 176 L CA 0.752 55.467 54.840 -0.208 0.000 0.790 176 L CB -0.102 41.634 42.059 -0.539 0.000 0.919 176 L HN 0.172 nan 8.230 nan 0.000 0.443 177 Q N -0.160 119.616 119.800 -0.040 0.000 2.280 177 Q HA 0.120 4.459 4.340 -0.001 0.000 0.202 177 Q C 1.420 177.439 176.000 0.031 0.000 0.903 177 Q CA 0.722 56.530 55.803 0.009 0.000 0.948 177 Q CB 0.769 29.504 28.738 -0.004 0.000 1.058 177 Q HN 0.550 nan 8.270 nan 0.000 0.493 178 G N 0.521 109.342 108.800 0.034 0.000 2.176 178 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.253 178 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.253 178 G C 0.448 175.347 174.900 -0.001 0.000 0.979 178 G CA 0.171 45.325 45.100 0.090 0.000 0.641 178 G HN 0.586 nan 8.290 nan 0.000 0.530 179 A N -0.613 122.188 122.820 -0.030 0.000 2.346 179 A HA 0.663 4.982 4.320 -0.001 0.000 0.252 179 A C 0.505 178.052 177.584 -0.061 0.000 1.089 179 A CA 0.674 52.675 52.037 -0.060 0.000 0.797 179 A CB 0.943 19.911 19.000 -0.053 0.000 1.047 179 A HN 1.225 nan 8.150 nan 0.000 0.494 180 V N 2.652 122.533 119.914 -0.055 0.000 2.320 180 V HA 0.248 4.368 4.120 -0.001 0.000 0.268 180 V C -2.581 173.560 176.094 0.079 0.000 1.021 180 V CA -1.392 60.887 62.300 -0.036 0.000 0.813 180 V CB 0.777 32.528 31.823 -0.120 0.000 1.054 180 V HN 0.703 nan 8.190 nan 0.000 0.444 181 P HA 0.076 nan 4.420 nan 0.000 0.263 181 P C 0.134 177.444 177.300 0.018 0.000 1.195 181 P CA 0.323 63.434 63.100 0.017 0.000 0.762 181 P CB 0.225 31.921 31.700 -0.008 0.000 0.799 182 F N 3.522 123.383 119.950 -0.148 0.000 2.778 182 F HA 0.348 4.874 4.527 -0.001 0.000 0.314 182 F C -0.160 175.579 175.800 -0.101 0.000 1.073 182 F CA -0.311 57.658 58.000 -0.052 0.000 1.218 182 F CB 0.011 39.129 39.000 0.196 0.000 1.037 182 F HN 0.093 nan 8.300 nan 0.000 0.594 183 V N -1.353 118.117 119.914 -0.739 0.000 3.049 183 V HA 0.532 4.651 4.120 -0.001 0.000 0.309 183 V C -1.275 174.561 176.094 -0.430 0.000 1.148 183 V CA -1.014 60.952 62.300 -0.557 0.000 0.990 183 V CB 1.332 32.798 31.823 -0.596 0.000 1.039 183 V HN 0.286 nan 8.190 nan 0.000 0.430 184 H N 1.460 120.333 119.070 -0.329 0.000 2.473 184 H HA 0.703 5.258 4.556 -0.001 0.000 0.327 184 H C 0.202 175.398 175.328 -0.220 0.000 1.105 184 H CA 0.106 56.011 56.048 -0.237 0.000 1.280 184 H CB 1.780 31.429 29.762 -0.188 0.000 1.450 184 H HN 1.046 nan 8.280 nan 0.000 0.492 185 T N 0.661 115.195 114.554 -0.034 0.000 2.940 185 T HA 0.199 4.548 4.350 -0.001 0.000 0.288 185 T C 0.226 174.878 174.700 -0.079 0.000 1.033 185 T CA -1.193 60.858 62.100 -0.081 0.000 1.033 185 T CB 1.647 70.478 68.868 -0.063 0.000 1.079 185 T HN 0.419 nan 8.240 nan 0.000 0.496 186 N N 0.188 118.844 118.700 -0.072 0.000 2.482 186 N HA 0.443 5.182 4.740 -0.001 0.000 0.260 186 N C -0.434 175.084 175.510 0.013 0.000 1.236 186 N CA -0.274 52.754 53.050 -0.037 0.000 0.938 186 N CB 0.692 39.177 38.487 -0.002 0.000 1.128 186 N HN 0.805 nan 8.380 nan 0.000 0.448 187 V N -0.346 119.594 119.914 0.044 0.000 3.040 187 V HA 0.762 4.882 4.120 -0.001 0.000 0.312 187 V C -2.644 173.499 176.094 0.082 0.000 1.115 187 V CA -2.149 60.185 62.300 0.058 0.000 0.998 187 V CB 1.947 33.801 31.823 0.051 0.000 1.042 187 V HN 0.603 nan 8.190 nan 0.000 0.433 188 P HA 0.113 nan 4.420 nan 0.000 0.272 188 P C -0.548 176.830 177.300 0.130 0.000 1.223 188 P CA -0.060 63.098 63.100 0.096 0.000 0.784 188 P CB 0.553 32.300 31.700 0.079 0.000 0.923 189 Q N 2.176 122.063 119.800 0.144 0.000 2.262 189 Q HA 0.003 4.342 4.340 -0.001 0.000 0.298 189 Q C 0.736 176.859 176.000 0.206 0.000 1.083 189 Q CA 1.397 57.285 55.803 0.142 0.000 0.962 189 Q CB -0.251 28.593 28.738 0.177 0.000 1.104 189 Q HN 0.719 nan 8.270 nan 0.000 0.376 190 S N 3.228 118.987 115.700 0.098 0.000 2.427 190 S HA -0.344 4.125 4.470 -0.001 0.000 0.253 190 S C 0.713 175.475 174.600 0.270 0.000 1.246 190 S CA 1.408 59.700 58.200 0.153 0.000 1.421 190 S CB -1.699 61.699 63.200 0.330 0.000 1.769 190 S HN 1.028 nan 8.310 nan 0.000 0.620 191 M N -2.409 117.330 119.600 0.233 0.000 2.931 191 M HA -0.216 4.263 4.480 -0.001 0.000 0.190 191 M C 0.117 176.570 176.300 0.256 0.000 0.626 191 M CA 1.562 56.980 55.300 0.196 0.000 0.722 191 M CB -2.070 30.608 32.600 0.131 0.000 2.597 191 M HN 0.571 nan 8.290 nan 0.000 0.299 192 F N 2.121 122.213 119.950 0.236 0.000 2.573 192 F HA 0.529 5.056 4.527 -0.001 0.000 0.349 192 F C 0.375 176.273 175.800 0.163 0.000 1.213 192 F CA 0.600 58.709 58.000 0.183 0.000 1.300 192 F CB 0.501 39.602 39.000 0.168 0.000 1.661 192 F HN 0.069 nan 8.300 nan 0.000 0.616 193 S N 2.932 118.579 115.700 -0.090 0.000 2.608 193 S HA 0.169 4.638 4.470 -0.001 0.000 0.285 193 S C -0.734 173.823 174.600 -0.072 0.000 1.108 193 S CA -0.658 57.494 58.200 -0.079 0.000 0.858 193 S CB 0.211 63.419 63.200 0.015 0.000 1.077 193 S HN 0.461 nan 8.310 nan 0.000 0.450 194 Y N 1.787 121.908 120.300 -0.298 0.000 2.708 194 Y HA 0.625 5.175 4.550 -0.001 0.000 0.287 194 Y C 0.157 175.889 175.900 -0.279 0.000 1.145 194 Y CA -0.585 57.269 58.100 -0.409 0.000 1.249 194 Y CB 0.003 37.821 38.460 -1.070 0.000 1.152 194 Y HN 0.513 nan 8.280 nan 0.000 0.532 195 D N -0.208 120.039 120.400 -0.255 0.000 2.624 195 D HA 0.378 5.017 4.640 -0.001 0.000 0.257 195 D C -0.856 175.422 176.300 -0.036 0.000 1.167 195 D CA -0.879 53.032 54.000 -0.147 0.000 1.086 195 D CB 2.117 42.808 40.800 -0.182 0.000 1.210 195 D HN 0.156 nan 8.370 nan 0.000 0.631 196 C N 1.172 120.470 119.300 -0.002 0.000 3.319 196 C HA 0.580 5.039 4.460 -0.001 0.000 0.200 196 C C -0.958 174.057 174.990 0.043 0.000 1.332 196 C CA -0.240 58.797 59.018 0.032 0.000 1.170 196 C CB -1.489 26.277 27.740 0.044 0.000 1.855 196 C HN 0.356 nan 8.230 nan 0.000 0.593 197 S N 2.515 118.243 115.700 0.047 0.000 2.541 197 S HA 0.849 5.319 4.470 -0.001 0.000 0.280 197 S C -0.839 173.808 174.600 0.077 0.000 1.112 197 S CA -0.349 57.885 58.200 0.055 0.000 0.925 197 S CB 1.213 64.432 63.200 0.032 0.000 1.067 197 S HN 0.884 nan 8.310 nan 0.000 0.479 198 N N 2.199 120.948 118.700 0.082 0.000 2.525 198 N HA 0.595 5.335 4.740 -0.001 0.000 0.270 198 N C -2.845 172.681 175.510 0.026 0.000 1.321 198 N CA -1.654 51.442 53.050 0.076 0.000 0.797 198 N CB 1.148 39.694 38.487 0.097 0.000 1.529 198 N HN 0.172 nan 8.380 nan 0.000 0.491 199 P HA 0.050 nan 4.420 nan 0.000 0.234 199 P C 0.422 177.648 177.300 -0.124 0.000 1.167 199 P CA 0.705 63.769 63.100 -0.060 0.000 0.763 199 P CB 0.263 31.971 31.700 0.013 0.000 0.835 200 L N -2.886 118.231 121.223 -0.177 0.000 2.185 200 L HA 0.117 4.457 4.340 -0.001 0.000 0.198 200 L C 1.739 178.301 176.870 -0.514 0.000 1.079 200 L CA 1.124 55.706 54.840 -0.429 0.000 0.780 200 L CB -0.600 41.050 42.059 -0.682 0.000 0.955 200 L HN -0.119 nan 8.230 nan 0.000 0.462 201 F N -0.284 119.671 119.950 0.009 0.000 2.731 201 F HA 0.382 4.908 4.527 -0.001 0.000 0.298 201 F C 1.460 177.258 175.800 -0.003 0.000 1.106 201 F CA 0.344 58.349 58.000 0.007 0.000 1.329 201 F CB 0.228 39.237 39.000 0.016 0.000 1.100 201 F HN 0.209 nan 8.300 nan 0.000 0.592 202 G N 0.795 109.659 108.800 0.107 0.000 2.527 202 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.227 202 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.227 202 G C -0.696 174.247 174.900 0.071 0.000 1.291 202 G CA -0.609 44.525 45.100 0.057 0.000 0.904 202 G HN 0.282 nan 8.290 nan 0.000 0.577 203 Q N 0.037 119.863 119.800 0.043 0.000 2.278 203 Q HA 0.612 4.952 4.340 -0.001 0.000 0.257 203 Q C -0.194 175.827 176.000 0.034 0.000 0.928 203 Q CA -0.237 55.586 55.803 0.034 0.000 0.932 203 Q CB 0.917 29.664 28.738 0.015 0.000 1.221 203 Q HN 0.623 nan 8.270 nan 0.000 0.434 204 T N 4.594 119.171 114.554 0.037 0.000 2.882 204 T HA 0.473 4.822 4.350 -0.001 0.000 0.287 204 T C -0.271 174.451 174.700 0.036 0.000 0.992 204 T CA -0.254 61.866 62.100 0.033 0.000 1.076 204 T CB 0.609 69.499 68.868 0.036 0.000 0.961 204 T HN 0.572 nan 8.240 nan 0.000 0.490 205 M N 2.784 122.404 119.600 0.032 0.000 2.528 205 M HA 0.373 4.853 4.480 -0.001 0.000 0.321 205 M C 0.304 176.642 176.300 0.065 0.000 1.153 205 M CA -0.972 54.352 55.300 0.040 0.000 0.951 205 M CB 1.404 34.017 32.600 0.020 0.000 1.705 205 M HN 0.419 nan 8.290 nan 0.000 0.451 206 N N 3.357 122.112 118.700 0.091 0.000 2.483 206 N HA 0.119 4.858 4.740 -0.001 0.000 0.264 206 N C -1.887 173.702 175.510 0.132 0.000 1.197 206 N CA -1.083 52.055 53.050 0.147 0.000 0.927 206 N CB 1.137 39.722 38.487 0.165 0.000 1.065 206 N HN 0.380 nan 8.380 nan 0.000 0.461 207 P HA -0.025 nan 4.420 nan 0.000 0.229 207 P C 0.764 178.052 177.300 -0.020 0.000 1.160 207 P CA 0.940 64.048 63.100 0.014 0.000 0.777 207 P CB 0.031 31.695 31.700 -0.059 0.000 0.814 208 W N 1.001 122.305 121.300 0.007 0.000 2.518 208 W HA 0.166 4.825 4.660 -0.001 0.000 0.273 208 W C 1.077 177.589 176.519 -0.012 0.000 1.247 208 W CA 0.593 57.937 57.345 -0.002 0.000 1.288 208 W CB 0.144 29.603 29.460 -0.001 0.000 1.107 208 W HN -0.121 nan 8.180 nan 0.000 0.586 209 K N -0.141 120.381 120.400 0.203 0.000 2.606 209 K HA 0.081 4.400 4.320 -0.001 0.000 0.259 209 K C 0.681 177.320 176.600 0.065 0.000 1.001 209 K CA 0.177 56.526 56.287 0.103 0.000 0.881 209 K CB 1.098 33.649 32.500 0.085 0.000 1.288 209 K HN -0.150 nan 8.250 nan 0.000 0.452 210 S N 0.944 116.666 115.700 0.036 0.000 2.515 210 S HA -0.117 4.353 4.470 -0.001 0.000 0.231 210 S C 1.320 175.928 174.600 0.014 0.000 0.987 210 S CA 1.261 59.474 58.200 0.022 0.000 0.936 210 S CB -0.149 63.054 63.200 0.005 0.000 0.766 210 S HN 0.593 nan 8.310 nan 0.000 0.528 211 S N 0.289 115.995 115.700 0.009 0.000 2.593 211 S HA 0.262 4.731 4.470 -0.001 0.000 0.217 211 S C 0.491 175.086 174.600 -0.009 0.000 0.966 211 S CA -0.391 57.807 58.200 -0.003 0.000 0.914 211 S CB -0.126 63.068 63.200 -0.009 0.000 0.776 211 S HN 0.215 nan 8.310 nan 0.000 0.523 212 K N 1.957 122.358 120.400 0.002 0.000 2.118 212 K HA 0.438 4.758 4.320 -0.001 0.000 0.254 212 K C -0.229 176.387 176.600 0.025 0.000 0.961 212 K CA -0.375 55.906 56.287 -0.011 0.000 0.876 212 K CB 1.655 34.139 32.500 -0.027 0.000 1.077 212 K HN 0.180 nan 8.250 nan 0.000 0.440 213 S N 2.375 118.093 115.700 0.030 0.000 2.564 213 S HA 0.148 4.617 4.470 -0.001 0.000 0.278 213 S C -1.497 173.232 174.600 0.216 0.000 1.333 213 S CA -1.189 57.075 58.200 0.106 0.000 1.048 213 S CB 0.437 63.713 63.200 0.126 0.000 0.900 213 S HN 0.319 nan 8.310 nan 0.000 0.505 214 P HA 0.203 nan 4.420 nan 0.000 0.245 214 P C 0.811 178.293 177.300 0.303 0.000 1.212 214 P CA 0.734 63.980 63.100 0.244 0.000 0.774 214 P CB -0.737 31.053 31.700 0.151 0.000 0.999 215 G N -0.968 108.039 108.800 0.345 0.000 2.698 215 G HA2 0.234 4.193 3.960 -0.001 0.000 0.225 215 G HA3 0.234 4.193 3.960 -0.001 0.000 0.225 215 G C -0.314 174.600 174.900 0.024 0.000 1.345 215 G CA -0.647 44.474 45.100 0.035 0.000 0.871 215 G HN 0.619 nan 8.290 nan 0.000 0.540 216 G N -2.663 106.136 108.800 -0.002 0.000 2.430 216 G HA2 0.717 4.676 3.960 -0.001 0.000 0.300 216 G HA3 0.717 4.676 3.960 -0.001 0.000 0.300 216 G C 0.791 175.751 174.900 0.101 0.000 1.330 216 G CA 0.915 46.041 45.100 0.043 0.000 0.813 216 G HN 2.176 nan 8.290 nan 0.000 0.487 217 S N -1.163 114.590 115.700 0.088 0.000 2.562 217 S HA 0.080 4.550 4.470 -0.001 0.000 0.221 217 S C 1.250 175.888 174.600 0.064 0.000 0.975 217 S CA 1.085 59.323 58.200 0.064 0.000 0.918 217 S CB 0.073 63.313 63.200 0.067 0.000 0.772 217 S HN 0.622 nan 8.310 nan 0.000 0.531 218 S N 1.895 117.637 115.700 0.070 0.000 3.227 218 S HA 0.333 4.802 4.470 -0.001 0.000 0.249 218 S C 1.470 176.106 174.600 0.060 0.000 1.322 218 S CA 0.006 58.248 58.200 0.070 0.000 1.253 218 S CB -0.254 62.993 63.200 0.079 0.000 1.076 218 S HN 0.693 nan 8.310 nan 0.000 0.471 219 G N 1.895 110.728 108.800 0.056 0.000 2.403 219 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.216 219 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.216 219 G C 1.377 176.310 174.900 0.055 0.000 1.154 219 G CA 0.427 45.565 45.100 0.062 0.000 0.784 219 G HN 0.600 nan 8.290 nan 0.000 0.538 220 G N 0.644 109.465 108.800 0.035 0.000 2.422 220 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.218 220 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.218 220 G C 1.650 176.558 174.900 0.012 0.000 1.146 220 G CA 1.042 46.150 45.100 0.013 0.000 0.769 220 G HN 0.334 nan 8.290 nan 0.000 0.547 221 E N 0.699 120.912 120.200 0.021 0.000 2.047 221 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 221 E C 2.806 179.431 176.600 0.042 0.000 0.987 221 E CA 1.049 57.460 56.400 0.019 0.000 0.799 221 E CB -0.921 28.794 29.700 0.026 0.000 0.752 221 E HN 0.335 nan 8.360 nan 0.000 0.449 222 G N 1.217 110.055 108.800 0.063 0.000 2.446 222 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 222 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 222 G C 1.740 176.705 174.900 0.109 0.000 1.168 222 G CA 1.540 46.697 45.100 0.094 0.000 0.771 222 G HN 0.401 nan 8.290 nan 0.000 0.551 223 A N 0.015 122.890 122.820 0.092 0.000 1.930 223 A HA 0.155 4.475 4.320 -0.001 0.000 0.217 223 A C 2.339 179.955 177.584 0.054 0.000 1.175 223 A CA 1.636 53.723 52.037 0.083 0.000 0.627 223 A CB -0.345 18.692 19.000 0.063 0.000 0.815 223 A HN 0.419 nan 8.150 nan 0.000 0.443 224 L N 0.041 121.288 121.223 0.040 0.000 2.023 224 L HA -0.007 4.332 4.340 -0.001 0.000 0.205 224 L C 2.245 179.153 176.870 0.063 0.000 1.073 224 L CA 1.710 56.572 54.840 0.037 0.000 0.745 224 L CB -0.486 41.579 42.059 0.010 0.000 0.900 224 L HN 0.417 nan 8.230 nan 0.000 0.435 225 I N -0.332 120.276 120.570 0.063 0.000 2.226 225 I HA -0.214 3.955 4.170 -0.001 0.000 0.245 225 I C 2.400 178.568 176.117 0.085 0.000 1.100 225 I CA 1.365 62.710 61.300 0.074 0.000 1.374 225 I CB -1.183 36.851 38.000 0.057 0.000 1.057 225 I HN 0.436 nan 8.210 nan 0.000 0.413 226 G N 0.228 109.087 108.800 0.098 0.000 2.471 226 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.219 226 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.219 226 G C 1.545 176.464 174.900 0.032 0.000 1.125 226 G CA 0.969 46.147 45.100 0.129 0.000 0.775 226 G HN 0.532 nan 8.290 nan 0.000 0.548 227 S N -1.367 114.332 115.700 -0.001 0.000 2.540 227 S HA 0.429 4.899 4.470 -0.001 0.000 0.218 227 S C 1.584 176.166 174.600 -0.030 0.000 0.977 227 S CA 0.794 58.952 58.200 -0.070 0.000 0.918 227 S CB 0.372 63.530 63.200 -0.070 0.000 0.806 227 S HN 1.385 nan 8.310 nan 0.000 0.496 228 G N 0.532 109.351 108.800 0.031 0.000 2.157 228 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.239 228 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.239 228 G C 0.772 175.764 174.900 0.153 0.000 0.982 228 G CA -0.081 45.064 45.100 0.074 0.000 0.650 228 G HN 0.981 nan 8.290 nan 0.000 0.527 229 G N -0.704 108.190 108.800 0.157 0.000 2.985 229 G HA2 0.461 4.421 3.960 -0.001 0.000 0.209 229 G HA3 0.461 4.421 3.960 -0.001 0.000 0.209 229 G C 0.409 175.542 174.900 0.388 0.000 1.165 229 G CA 1.442 46.682 45.100 0.233 0.000 0.776 229 G HN 1.537 nan 8.290 nan 0.000 0.541 230 S N -0.550 115.331 115.700 0.302 0.000 2.563 230 S HA 0.496 4.966 4.470 -0.001 0.000 0.279 230 S C -2.406 172.177 174.600 -0.028 0.000 1.155 230 S CA -0.817 57.459 58.200 0.125 0.000 0.928 230 S CB 2.333 65.622 63.200 0.150 0.000 1.107 230 S HN -0.095 nan 8.310 nan 0.000 0.462 231 P HA 0.265 nan 4.420 nan 0.000 0.235 231 P C -0.180 177.059 177.300 -0.101 0.000 1.177 231 P CA 0.201 63.188 63.100 -0.189 0.000 0.785 231 P CB 0.112 31.594 31.700 -0.364 0.000 0.885 232 L N -1.207 119.958 121.223 -0.097 0.000 2.643 232 L HA 0.742 5.081 4.340 -0.001 0.000 0.257 232 L C -1.142 175.687 176.870 -0.068 0.000 0.922 232 L CA -0.442 54.353 54.840 -0.074 0.000 0.909 232 L CB 1.695 43.698 42.059 -0.093 0.000 1.424 232 L HN -0.003 nan 8.230 nan 0.000 0.422 233 G N 3.508 112.266 108.800 -0.069 0.000 2.725 233 G HA2 0.710 4.669 3.960 -0.001 0.000 0.288 233 G HA3 0.710 4.669 3.960 -0.001 0.000 0.288 233 G C -2.031 172.795 174.900 -0.124 0.000 1.399 233 G CA -0.790 44.251 45.100 -0.098 0.000 0.859 233 G HN 0.624 nan 8.290 nan 0.000 0.479 234 L N 0.205 121.304 121.223 -0.206 0.000 2.346 234 L HA 0.779 5.118 4.340 -0.001 0.000 0.276 234 L C 0.631 177.486 176.870 -0.025 0.000 1.006 234 L CA -0.713 53.975 54.840 -0.253 0.000 0.817 234 L CB 2.100 43.712 42.059 -0.746 0.000 1.272 234 L HN 0.791 nan 8.230 nan 0.000 0.421 235 G N 0.402 109.308 108.800 0.178 0.000 3.015 235 G HA2 0.763 4.722 3.960 -0.001 0.000 0.281 235 G HA3 0.763 4.722 3.960 -0.001 0.000 0.281 235 G C -0.974 174.125 174.900 0.332 0.000 1.386 235 G CA -0.311 44.973 45.100 0.306 0.000 0.959 235 G HN 0.520 nan 8.290 nan 0.000 0.522 236 T N -2.225 112.432 114.554 0.172 0.000 2.901 236 T HA 0.692 5.041 4.350 -0.001 0.000 0.293 236 T C -1.845 172.884 174.700 0.048 0.000 1.084 236 T CA -0.740 61.407 62.100 0.077 0.000 1.008 236 T CB 2.689 71.535 68.868 -0.036 0.000 1.170 236 T HN 0.507 nan 8.240 nan 0.000 0.509 237 D N 0.593 121.009 120.400 0.027 0.000 2.738 237 D HA 0.317 4.957 4.640 -0.001 0.000 0.218 237 D C -0.365 175.934 176.300 -0.001 0.000 1.345 237 D CA -0.492 53.514 54.000 0.010 0.000 0.943 237 D CB 1.930 42.729 40.800 -0.002 0.000 1.514 237 D HN 0.625 nan 8.370 nan 0.000 0.585 238 I N 1.710 122.278 120.570 -0.004 0.000 4.312 238 I HA 0.286 4.455 4.170 -0.001 0.000 0.324 238 I C 1.207 177.306 176.117 -0.030 0.000 1.298 238 I CA 0.201 61.497 61.300 -0.007 0.000 1.231 238 I CB 0.895 38.909 38.000 0.023 0.000 1.152 238 I HN 0.476 nan 8.210 nan 0.000 0.421 239 G N -0.667 108.106 108.800 -0.045 0.000 4.213 239 G HA2 0.397 4.356 3.960 -0.001 0.000 0.274 239 G HA3 0.397 4.356 3.960 -0.001 0.000 0.274 239 G C 0.730 175.599 174.900 -0.052 0.000 1.033 239 G CA 0.471 45.536 45.100 -0.057 0.000 0.822 239 G HN 0.383 nan 8.290 nan 0.000 0.432 240 G N -0.193 108.539 108.800 -0.113 0.000 2.370 240 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.174 240 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.174 240 G C 1.114 175.896 174.900 -0.196 0.000 1.002 240 G CA 0.558 45.412 45.100 -0.411 0.000 0.730 240 G HN 0.283 nan 8.290 nan 0.000 0.497 241 S N -0.038 115.681 115.700 0.031 0.000 2.507 241 S HA 0.169 4.638 4.470 -0.001 0.000 0.235 241 S C 2.108 176.739 174.600 0.051 0.000 0.988 241 S CA 1.000 59.266 58.200 0.109 0.000 0.944 241 S CB -0.075 63.173 63.200 0.080 0.000 0.762 241 S HN 0.526 nan 8.310 nan 0.000 0.526 242 I N 0.354 120.920 120.570 -0.006 0.000 2.731 242 I HA 0.016 4.185 4.170 -0.001 0.000 0.260 242 I C 2.402 178.489 176.117 -0.051 0.000 1.138 242 I CA 0.628 61.925 61.300 -0.005 0.000 1.461 242 I CB 0.012 38.014 38.000 0.003 0.000 1.128 242 I HN 0.119 nan 8.210 nan 0.000 0.438 243 R N -0.099 120.314 120.500 -0.145 0.000 2.100 243 R HA 0.009 4.348 4.340 -0.001 0.000 0.220 243 R C 2.200 178.355 176.300 -0.241 0.000 1.091 243 R CA 1.046 57.021 56.100 -0.209 0.000 0.986 243 R CB -0.274 29.855 30.300 -0.286 0.000 0.888 243 R HN 0.100 nan 8.270 nan 0.000 0.444 244 F N 1.604 121.404 119.950 -0.249 0.000 2.046 244 F HA -0.135 4.391 4.527 -0.001 0.000 0.297 244 F C -0.559 174.914 175.800 -0.544 0.000 1.123 244 F CA 1.175 58.853 58.000 -0.536 0.000 1.199 244 F CB -1.597 37.063 39.000 -0.567 0.000 0.972 244 F HN 0.032 nan 8.300 nan 0.000 0.474 245 P HA -0.070 nan 4.420 nan 0.000 0.219 245 P C 1.633 178.978 177.300 0.075 0.000 1.150 245 P CA 1.602 64.710 63.100 0.014 0.000 0.814 245 P CB -0.065 31.666 31.700 0.051 0.000 0.787 246 S N 0.600 116.322 115.700 0.037 0.000 2.353 246 S HA -0.132 4.337 4.470 -0.001 0.000 0.222 246 S C 2.253 176.901 174.600 0.079 0.000 1.035 246 S CA 1.634 59.865 58.200 0.051 0.000 1.025 246 S CB -1.115 62.092 63.200 0.010 0.000 0.902 246 S HN 0.204 nan 8.310 nan 0.000 0.440 247 A N 1.038 123.901 122.820 0.072 0.000 1.902 247 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 247 A C 1.835 179.583 177.584 0.272 0.000 1.181 247 A CA 1.359 53.478 52.037 0.137 0.000 0.623 247 A CB -0.778 18.311 19.000 0.149 0.000 0.818 247 A HN 0.450 nan 8.150 nan 0.000 0.443 248 F N -0.653 119.319 119.950 0.036 0.000 2.259 248 F HA -0.075 4.451 4.527 -0.001 0.000 0.298 248 F C 2.220 178.010 175.800 -0.016 0.000 1.088 248 F CA -0.001 58.007 58.000 0.013 0.000 1.358 248 F CB -0.954 38.094 39.000 0.081 0.000 1.040 248 F HN 0.232 nan 8.300 nan 0.000 0.505 249 C N -0.715 118.740 119.300 0.258 0.000 2.906 249 C HA 0.532 4.992 4.460 -0.001 0.000 0.274 249 C C 1.641 176.841 174.990 0.349 0.000 1.257 249 C CA 0.211 59.416 59.018 0.313 0.000 1.695 249 C CB -0.832 27.087 27.740 0.298 0.000 1.958 249 C HN 0.686 nan 8.230 nan 0.000 0.619 250 G N 2.235 111.115 108.800 0.134 0.000 2.225 250 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.264 250 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.264 250 G C -0.222 174.779 174.900 0.169 0.000 1.060 250 G CA 0.650 45.820 45.100 0.116 0.000 0.833 250 G HN 0.797 nan 8.290 nan 0.000 0.498 251 I N -3.824 116.820 120.570 0.124 0.000 3.239 251 I HA 0.836 5.005 4.170 -0.001 0.000 0.314 251 I C 0.365 176.514 176.117 0.052 0.000 1.126 251 I CA -1.691 59.667 61.300 0.097 0.000 0.973 251 I CB 1.771 39.834 38.000 0.104 0.000 1.252 251 I HN 0.047 nan 8.210 nan 0.000 0.463 252 C N 1.731 121.053 119.300 0.037 0.000 2.405 252 C HA 0.918 5.377 4.460 -0.001 0.000 0.365 252 C C 0.559 175.554 174.990 0.009 0.000 1.233 252 C CA -0.046 58.980 59.018 0.014 0.000 2.230 252 C CB 0.228 27.975 27.740 0.012 0.000 2.443 252 C HN 0.995 nan 8.230 nan 0.000 0.556 253 G N 1.347 110.144 108.800 -0.005 0.000 2.746 253 G HA2 0.602 4.561 3.960 -0.001 0.000 0.297 253 G HA3 0.602 4.561 3.960 -0.001 0.000 0.297 253 G C -2.071 172.822 174.900 -0.011 0.000 1.426 253 G CA -0.305 44.792 45.100 -0.006 0.000 0.989 253 G HN 0.646 nan 8.290 nan 0.000 0.520 254 L N 1.044 122.267 121.223 0.000 0.000 2.406 254 L HA 0.664 5.003 4.340 -0.001 0.000 0.272 254 L C -0.210 176.669 176.870 0.015 0.000 0.980 254 L CA -0.845 54.000 54.840 0.008 0.000 0.831 254 L CB 1.856 43.928 42.059 0.023 0.000 1.253 254 L HN 0.447 nan 8.230 nan 0.000 0.406 255 K N 7.084 127.488 120.400 0.007 0.000 2.266 255 K HA 0.485 4.804 4.320 -0.001 0.000 0.274 255 K C -2.524 174.086 176.600 0.017 0.000 1.090 255 K CA -1.689 54.607 56.287 0.014 0.000 0.925 255 K CB 0.953 33.453 32.500 0.000 0.000 1.225 255 K HN 0.364 nan 8.250 nan 0.000 0.458 256 P HA 0.038 nan 4.420 nan 0.000 0.274 256 P C -0.647 176.623 177.300 -0.051 0.000 1.260 256 P CA -0.333 62.771 63.100 0.007 0.000 0.793 256 P CB 0.322 32.051 31.700 0.048 0.000 1.048 257 T N 0.313 114.774 114.554 -0.154 0.000 2.946 257 T HA 0.056 4.405 4.350 -0.001 0.000 0.312 257 T C 1.905 176.480 174.700 -0.209 0.000 1.066 257 T CA 0.803 62.704 62.100 -0.332 0.000 1.138 257 T CB -0.052 68.296 68.868 -0.865 0.000 1.014 257 T HN 0.586 nan 8.240 nan 0.000 0.544 258 G N 1.868 110.569 108.800 -0.165 0.000 2.469 258 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.219 258 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.219 258 G C 1.256 176.169 174.900 0.021 0.000 1.150 258 G CA 0.512 45.584 45.100 -0.047 0.000 0.763 258 G HN 0.670 nan 8.290 nan 0.000 0.561 259 N N -0.631 118.092 118.700 0.038 0.000 2.320 259 N HA 0.132 4.871 4.740 -0.001 0.000 0.237 259 N C 1.654 177.396 175.510 0.387 0.000 1.129 259 N CA -0.234 52.948 53.050 0.220 0.000 0.854 259 N CB 0.108 38.773 38.487 0.297 0.000 1.083 259 N HN 0.149 nan 8.380 nan 0.000 0.504 260 R N -0.429 120.253 120.500 0.303 0.000 2.093 260 R HA 0.275 4.614 4.340 -0.001 0.000 0.224 260 R C -0.001 176.484 176.300 0.309 0.000 1.101 260 R CA 1.103 57.448 56.100 0.408 0.000 0.979 260 R CB 0.126 30.598 30.300 0.287 0.000 0.877 260 R HN 0.196 nan 8.270 nan 0.000 0.441 261 L N -0.698 120.660 121.223 0.225 0.000 2.303 261 L HA 0.405 4.744 4.340 -0.001 0.000 0.266 261 L C -0.269 176.710 176.870 0.181 0.000 1.011 261 L CA -1.109 53.850 54.840 0.199 0.000 0.818 261 L CB 1.870 44.026 42.059 0.163 0.000 1.326 261 L HN -0.078 nan 8.230 nan 0.000 0.435 262 S N 0.117 115.918 115.700 0.169 0.000 2.499 262 S HA 0.193 4.662 4.470 -0.001 0.000 0.275 262 S C 0.500 175.183 174.600 0.138 0.000 1.257 262 S CA -0.379 57.911 58.200 0.150 0.000 1.050 262 S CB 0.450 63.733 63.200 0.138 0.000 0.937 262 S HN 0.585 nan 8.310 nan 0.000 0.490 263 K N 2.682 123.149 120.400 0.112 0.000 2.387 263 K HA 0.124 4.443 4.320 -0.001 0.000 0.198 263 K C 0.470 177.116 176.600 0.077 0.000 1.022 263 K CA -0.107 56.227 56.287 0.079 0.000 1.128 263 K CB 0.349 32.885 32.500 0.059 0.000 0.853 263 K HN 0.510 nan 8.250 nan 0.000 0.523 264 S N 0.424 116.178 115.700 0.091 0.000 2.544 264 S HA 0.160 4.629 4.470 -0.001 0.000 0.290 264 S C 1.206 175.854 174.600 0.080 0.000 1.276 264 S CA 0.978 59.227 58.200 0.083 0.000 1.075 264 S CB 0.117 63.365 63.200 0.080 0.000 0.849 264 S HN 0.673 nan 8.310 nan 0.000 0.494 265 G N 3.381 112.224 108.800 0.073 0.000 2.162 265 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.260 265 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.260 265 G C -0.129 174.811 174.900 0.066 0.000 0.976 265 G CA 0.212 45.355 45.100 0.071 0.000 0.655 265 G HN 0.685 nan 8.290 nan 0.000 0.533 266 L N 0.480 121.724 121.223 0.035 0.000 2.367 266 L HA 0.570 4.909 4.340 -0.001 0.000 0.275 266 L C 0.695 177.570 176.870 0.010 0.000 1.129 266 L CA -0.359 54.448 54.840 -0.055 0.000 0.839 266 L CB 1.283 43.243 42.059 -0.164 0.000 1.133 266 L HN 0.204 nan 8.230 nan 0.000 0.453 267 K N 1.877 122.268 120.400 -0.014 0.000 2.339 267 K HA 0.588 4.907 4.320 -0.001 0.000 0.286 267 K C -0.013 176.585 176.600 -0.003 0.000 1.050 267 K CA 0.121 56.437 56.287 0.049 0.000 0.956 267 K CB 0.710 33.230 32.500 0.034 0.000 0.990 267 K HN 0.697 nan 8.250 nan 0.000 0.475 268 G N 1.130 109.945 108.800 0.024 0.000 3.042 268 G HA2 0.387 4.346 3.960 -0.001 0.000 0.278 268 G HA3 0.387 4.346 3.960 -0.001 0.000 0.278 268 G C -0.112 174.657 174.900 -0.219 0.000 1.371 268 G CA -0.318 44.658 45.100 -0.206 0.000 1.009 268 G HN 0.853 nan 8.290 nan 0.000 0.523 269 C N -1.919 117.217 119.300 -0.274 0.000 3.882 269 C HA 0.629 5.089 4.460 -0.001 0.000 0.340 269 C C 0.001 174.919 174.990 -0.120 0.000 1.563 269 C CA -0.485 58.459 59.018 -0.124 0.000 1.870 269 C CB -0.486 27.240 27.740 -0.025 0.000 2.795 269 C HN 0.366 nan 8.230 nan 0.000 0.692 270 V N 1.599 121.349 119.914 -0.274 0.000 2.540 270 V HA 0.534 4.653 4.120 -0.001 0.000 0.302 270 V C -1.491 174.372 176.094 -0.385 0.000 1.035 270 V CA -0.171 62.030 62.300 -0.165 0.000 0.873 270 V CB 1.518 33.306 31.823 -0.057 0.000 0.992 270 V HN 0.371 nan 8.190 nan 0.000 0.428 271 Y N 1.677 121.999 120.300 0.037 0.000 2.376 271 Y HA 0.654 5.203 4.550 -0.001 0.000 0.340 271 Y C 1.001 176.917 175.900 0.027 0.000 0.965 271 Y CA 0.159 58.276 58.100 0.028 0.000 1.078 271 Y CB 2.162 40.638 38.460 0.026 0.000 1.193 271 Y HN 0.857 nan 8.280 nan 0.000 0.452 272 G N 1.843 110.743 108.800 0.167 0.000 2.141 272 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.242 272 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.242 272 G C -0.055 174.886 174.900 0.069 0.000 0.982 272 G CA -0.325 44.843 45.100 0.113 0.000 0.662 272 G HN 0.499 nan 8.290 nan 0.000 0.527 273 Q N 1.307 121.127 119.800 0.034 0.000 2.337 273 Q HA 0.473 4.813 4.340 -0.001 0.000 0.255 273 Q C 1.263 177.267 176.000 0.007 0.000 0.997 273 Q CA 0.804 56.609 55.803 0.003 0.000 0.925 273 Q CB 0.682 29.390 28.738 -0.050 0.000 1.212 273 Q HN 0.583 nan 8.270 nan 0.000 0.436 274 T N -0.188 114.381 114.554 0.025 0.000 3.040 274 T HA 0.293 4.642 4.350 -0.001 0.000 0.266 274 T C 1.406 176.119 174.700 0.023 0.000 1.005 274 T CA 0.383 62.501 62.100 0.030 0.000 0.906 274 T CB 0.424 69.323 68.868 0.051 0.000 1.082 274 T HN 0.384 nan 8.240 nan 0.000 0.531 275 A N 1.733 124.562 122.820 0.014 0.000 1.865 275 A HA 0.241 4.561 4.320 -0.001 0.000 0.217 275 A C 1.145 178.719 177.584 -0.016 0.000 1.191 275 A CA 1.126 53.167 52.037 0.005 0.000 0.623 275 A CB -0.654 18.343 19.000 -0.005 0.000 0.826 275 A HN 0.459 nan 8.150 nan 0.000 0.444 276 V N 1.454 121.346 119.914 -0.036 0.000 2.313 276 V HA 0.242 4.362 4.120 -0.001 0.000 0.278 276 V C -0.568 175.507 176.094 -0.031 0.000 1.017 276 V CA -0.558 61.716 62.300 -0.043 0.000 0.823 276 V CB 0.835 32.618 31.823 -0.067 0.000 1.010 276 V HN 0.567 nan 8.190 nan 0.000 0.443 277 Q N 2.777 122.567 119.800 -0.017 0.000 2.306 277 Q HA 0.515 4.855 4.340 -0.001 0.000 0.241 277 Q C -0.411 175.583 176.000 -0.010 0.000 0.948 277 Q CA -0.672 55.127 55.803 -0.007 0.000 0.886 277 Q CB 1.728 30.469 28.738 0.006 0.000 1.227 277 Q HN 0.594 nan 8.270 nan 0.000 0.457 278 L N 0.767 121.986 121.223 -0.007 0.000 2.418 278 L HA 0.398 4.738 4.340 -0.001 0.000 0.265 278 L C -0.524 176.350 176.870 0.006 0.000 1.143 278 L CA 0.594 55.431 54.840 -0.006 0.000 0.809 278 L CB 1.543 43.591 42.059 -0.017 0.000 1.124 278 L HN 0.583 nan 8.230 nan 0.000 0.456 279 S N 3.330 119.037 115.700 0.011 0.000 2.549 279 S HA 0.777 5.247 4.470 -0.001 0.000 0.280 279 S C -1.092 173.539 174.600 0.053 0.000 1.109 279 S CA -0.781 57.437 58.200 0.029 0.000 0.905 279 S CB 1.081 64.290 63.200 0.016 0.000 1.081 279 S HN 0.702 nan 8.310 nan 0.000 0.477 280 L N 1.983 123.262 121.223 0.093 0.000 2.333 280 L HA 1.138 5.477 4.340 -0.001 0.000 0.269 280 L C 0.052 177.011 176.870 0.148 0.000 1.010 280 L CA -0.297 54.644 54.840 0.168 0.000 0.818 280 L CB 1.610 43.831 42.059 0.270 0.000 1.306 280 L HN 0.773 nan 8.230 nan 0.000 0.430 281 G N 0.571 109.461 108.800 0.151 0.000 2.559 281 G HA2 0.606 4.565 3.960 -0.001 0.000 0.291 281 G HA3 0.606 4.565 3.960 -0.001 0.000 0.291 281 G C -3.370 171.559 174.900 0.047 0.000 1.424 281 G CA -0.935 44.216 45.100 0.084 0.000 0.786 281 G HN 0.570 nan 8.290 nan 0.000 0.485 282 P HA 0.524 nan 4.420 nan 0.000 0.281 282 P C -0.802 176.493 177.300 -0.009 0.000 1.249 282 P CA -0.270 62.818 63.100 -0.020 0.000 0.810 282 P CB 1.359 33.036 31.700 -0.038 0.000 1.008 283 M N 1.420 121.010 119.600 -0.016 0.000 2.457 283 M HA 0.749 5.228 4.480 -0.001 0.000 0.300 283 M C -0.477 175.818 176.300 -0.007 0.000 1.141 283 M CA -0.399 54.900 55.300 -0.002 0.000 0.901 283 M CB 2.743 35.349 32.600 0.011 0.000 1.687 283 M HN 0.489 nan 8.290 nan 0.000 0.449 284 A N 1.451 124.275 122.820 0.007 0.000 2.511 284 A HA 0.575 4.894 4.320 -0.001 0.000 0.293 284 A C -0.367 177.235 177.584 0.030 0.000 1.098 284 A CA -0.796 51.246 52.037 0.009 0.000 0.643 284 A CB 1.201 20.195 19.000 -0.011 0.000 1.302 284 A HN 0.895 nan 8.150 nan 0.000 0.446 285 R N -0.215 120.308 120.500 0.037 0.000 2.236 285 R HA 0.078 4.417 4.340 -0.001 0.000 0.208 285 R C -0.581 175.748 176.300 0.048 0.000 1.036 285 R CA 1.526 57.659 56.100 0.054 0.000 1.001 285 R CB -0.117 30.220 30.300 0.062 0.000 0.896 285 R HN 0.824 nan 8.270 nan 0.000 0.464 286 D N -3.055 117.366 120.400 0.036 0.000 2.596 286 D HA 0.080 4.719 4.640 -0.001 0.000 0.262 286 D C 0.591 176.912 176.300 0.035 0.000 1.210 286 D CA -0.771 53.252 54.000 0.037 0.000 0.873 286 D CB 0.886 41.712 40.800 0.043 0.000 1.408 286 D HN -0.336 nan 8.370 nan 0.000 0.441 287 V N -0.235 119.709 119.914 0.050 0.000 2.453 287 V HA -0.135 3.984 4.120 -0.001 0.000 0.247 287 V C 2.211 178.355 176.094 0.084 0.000 1.048 287 V CA 2.009 64.351 62.300 0.071 0.000 1.049 287 V CB -0.730 31.155 31.823 0.104 0.000 0.672 287 V HN 0.702 nan 8.190 nan 0.000 0.457 288 E N 0.728 120.993 120.200 0.107 0.000 2.110 288 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 288 E C 2.312 178.908 176.600 -0.007 0.000 0.988 288 E CA 1.613 58.076 56.400 0.106 0.000 0.804 288 E CB -0.317 29.457 29.700 0.122 0.000 0.745 288 E HN 0.565 nan 8.360 nan 0.000 0.458 289 S N 0.128 115.822 115.700 -0.010 0.000 2.370 289 S HA -0.141 4.329 4.470 -0.001 0.000 0.226 289 S C 1.881 176.432 174.600 -0.081 0.000 1.033 289 S CA 1.208 59.381 58.200 -0.045 0.000 1.011 289 S CB -0.327 62.858 63.200 -0.025 0.000 0.852 289 S HN 0.277 nan 8.310 nan 0.000 0.457 290 L N 1.200 122.384 121.223 -0.065 0.000 2.017 290 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 290 L C 2.888 179.660 176.870 -0.164 0.000 1.073 290 L CA 1.330 56.123 54.840 -0.079 0.000 0.745 290 L CB -0.932 41.109 42.059 -0.031 0.000 0.894 290 L HN 0.329 nan 8.230 nan 0.000 0.432 291 A N 0.204 122.871 122.820 -0.254 0.000 1.908 291 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 291 A C 2.237 179.435 177.584 -0.643 0.000 1.181 291 A CA 1.837 53.544 52.037 -0.551 0.000 0.627 291 A CB -0.731 17.705 19.000 -0.939 0.000 0.818 291 A HN 0.332 nan 8.150 nan 0.000 0.445 292 L N -0.293 120.703 121.223 -0.379 0.000 2.017 292 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 292 L C 2.577 179.283 176.870 -0.274 0.000 1.073 292 L CA 2.317 56.977 54.840 -0.299 0.000 0.745 292 L CB -1.177 40.786 42.059 -0.159 0.000 0.894 292 L HN 0.516 nan 8.230 nan 0.000 0.432 293 C N -0.951 118.223 119.300 -0.209 0.000 2.413 293 C HA -0.159 4.300 4.460 -0.001 0.000 0.276 293 C C 2.768 177.656 174.990 -0.170 0.000 1.248 293 C CA 1.082 60.004 59.018 -0.159 0.000 1.742 293 C CB -1.128 26.541 27.740 -0.117 0.000 2.017 293 C HN 0.641 nan 8.230 nan 0.000 0.481 294 L N 1.289 122.383 121.223 -0.216 0.000 2.027 294 L HA -0.092 4.247 4.340 -0.001 0.000 0.206 294 L C 2.597 179.332 176.870 -0.226 0.000 1.074 294 L CA 2.197 56.947 54.840 -0.149 0.000 0.745 294 L CB -0.857 41.177 42.059 -0.043 0.000 0.898 294 L HN 0.377 nan 8.230 nan 0.000 0.433 295 K N -0.898 119.143 120.400 -0.597 0.000 2.032 295 K HA -0.221 4.098 4.320 -0.001 0.000 0.209 295 K C 1.979 178.463 176.600 -0.193 0.000 1.048 295 K CA 1.528 57.517 56.287 -0.496 0.000 0.927 295 K CB -0.212 31.874 32.500 -0.691 0.000 0.712 295 K HN 0.377 nan 8.250 nan 0.000 0.441 296 A N 0.942 123.653 122.820 -0.182 0.000 1.930 296 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 296 A C 2.066 179.597 177.584 -0.089 0.000 1.175 296 A CA 1.192 53.165 52.037 -0.107 0.000 0.627 296 A CB -0.461 18.482 19.000 -0.095 0.000 0.815 296 A HN 0.327 nan 8.150 nan 0.000 0.443 297 L N -0.940 120.228 121.223 -0.091 0.000 2.240 297 L HA 0.047 4.386 4.340 -0.001 0.000 0.211 297 L C 0.623 177.410 176.870 -0.138 0.000 1.106 297 L CA 0.354 55.146 54.840 -0.080 0.000 0.793 297 L CB -0.255 41.781 42.059 -0.039 0.000 0.927 297 L HN 0.259 nan 8.230 nan 0.000 0.446 298 L N 1.380 122.545 121.223 -0.096 0.000 2.480 298 L HA 0.124 4.463 4.340 -0.001 0.000 0.243 298 L C 0.044 176.732 176.870 -0.304 0.000 1.315 298 L CA -0.645 54.123 54.840 -0.121 0.000 1.231 298 L CB -0.480 41.718 42.059 0.233 0.000 1.444 298 L HN 0.375 nan 8.230 nan 0.000 0.409 299 C N -3.033 115.909 119.300 -0.597 0.000 2.973 299 C HA 0.483 4.943 4.460 -0.001 0.000 0.329 299 C C 1.728 176.364 174.990 -0.591 0.000 1.327 299 C CA -0.830 57.945 59.018 -0.405 0.000 1.632 299 C CB 2.031 29.657 27.740 -0.190 0.000 2.098 299 C HN 0.443 nan 8.230 nan 0.000 0.469 300 E N 0.197 120.238 120.200 -0.264 0.000 2.130 300 E HA -0.177 4.172 4.350 -0.001 0.000 0.196 300 E C 1.707 178.221 176.600 -0.144 0.000 0.998 300 E CA 1.931 58.254 56.400 -0.129 0.000 0.806 300 E CB -0.707 28.918 29.700 -0.126 0.000 0.738 300 E HN 0.900 nan 8.360 nan 0.000 0.459 301 H N -0.100 118.900 119.070 -0.116 0.000 2.289 301 H HA -0.163 4.392 4.556 -0.001 0.000 0.294 301 H C 2.273 177.539 175.328 -0.103 0.000 1.095 301 H CA 1.593 57.588 56.048 -0.088 0.000 1.256 301 H CB -0.182 29.528 29.762 -0.086 0.000 1.359 301 H HN 0.094 nan 8.280 nan 0.000 0.487 302 L N -0.097 121.066 121.223 -0.099 0.000 2.046 302 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 302 L C 1.554 178.432 176.870 0.013 0.000 1.077 302 L CA 1.224 55.992 54.840 -0.119 0.000 0.747 302 L CB -0.189 41.709 42.059 -0.268 0.000 0.896 302 L HN 0.144 nan 8.230 nan 0.000 0.432 303 F N -0.395 119.589 119.950 0.058 0.000 2.234 303 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 303 F C 2.724 178.544 175.800 0.034 0.000 1.087 303 F CA 1.330 59.353 58.000 0.038 0.000 1.340 303 F CB -1.771 37.240 39.000 0.019 0.000 1.031 303 F HN 0.283 nan 8.300 nan 0.000 0.500 304 T N -2.312 112.356 114.554 0.190 0.000 2.937 304 T HA -0.007 4.342 4.350 -0.001 0.000 0.260 304 T C 2.085 176.845 174.700 0.101 0.000 1.051 304 T CA 0.614 62.788 62.100 0.124 0.000 1.141 304 T CB -0.772 68.152 68.868 0.093 0.000 0.879 304 T HN 0.257 nan 8.240 nan 0.000 0.459 305 L N 0.852 122.133 121.223 0.097 0.000 2.141 305 L HA 0.113 4.452 4.340 -0.001 0.000 0.209 305 L C 0.837 177.756 176.870 0.082 0.000 1.094 305 L CA 1.109 55.995 54.840 0.076 0.000 0.763 305 L CB -0.112 41.983 42.059 0.061 0.000 0.908 305 L HN 0.308 nan 8.230 nan 0.000 0.437 306 D N -1.497 118.969 120.400 0.110 0.000 2.363 306 D HA 0.187 4.827 4.640 -0.001 0.000 0.258 306 D C -1.981 174.398 176.300 0.132 0.000 1.259 306 D CA -1.849 52.218 54.000 0.113 0.000 0.921 306 D CB 1.234 42.105 40.800 0.119 0.000 1.201 306 D HN -0.196 nan 8.370 nan 0.000 0.524 307 P HA -0.103 nan 4.420 nan 0.000 0.223 307 P C 1.308 178.643 177.300 0.058 0.000 1.144 307 P CA 1.127 64.273 63.100 0.076 0.000 0.783 307 P CB 0.104 31.835 31.700 0.052 0.000 0.771 308 T N -4.465 110.132 114.554 0.071 0.000 3.055 308 T HA 0.026 4.375 4.350 -0.001 0.000 0.265 308 T C 0.746 175.492 174.700 0.077 0.000 1.111 308 T CA 0.187 62.325 62.100 0.064 0.000 1.118 308 T CB -0.860 68.051 68.868 0.071 0.000 0.909 308 T HN -0.175 nan 8.240 nan 0.000 0.501 309 V N 4.971 124.950 119.914 0.109 0.000 2.455 309 V HA 0.311 4.430 4.120 -0.001 0.000 0.273 309 V C -2.021 174.083 176.094 0.017 0.000 1.045 309 V CA -2.224 60.157 62.300 0.135 0.000 0.976 309 V CB 0.760 32.729 31.823 0.243 0.000 0.993 309 V HN 0.350 nan 8.190 nan 0.000 0.475 310 P HA 0.141 nan 4.420 nan 0.000 0.267 310 P C -2.492 174.507 177.300 -0.502 0.000 1.205 310 P CA -1.465 61.470 63.100 -0.274 0.000 0.765 310 P CB 0.153 31.618 31.700 -0.391 0.000 0.828 311 P HA 0.166 nan 4.420 nan 0.000 0.230 311 P C -0.428 176.304 177.300 -0.948 0.000 1.791 311 P CA 0.159 62.335 63.100 -1.540 0.000 1.020 311 P CB -0.124 31.040 31.700 -0.893 0.000 1.977 312 L N 4.640 125.490 121.223 -0.623 0.000 2.270 312 L HA 0.345 4.685 4.340 -0.001 0.000 0.286 312 L C -1.682 175.246 176.870 0.095 0.000 1.059 312 L CA -2.245 52.477 54.840 -0.197 0.000 0.839 312 L CB 1.021 43.006 42.059 -0.124 0.000 1.221 312 L HN 0.057 nan 8.230 nan 0.000 0.431 313 P HA -0.062 nan 4.420 nan 0.000 0.272 313 P C -0.528 176.906 177.300 0.222 0.000 1.240 313 P CA -0.339 62.920 63.100 0.266 0.000 0.791 313 P CB 0.611 32.421 31.700 0.183 0.000 0.978 314 F N 2.182 122.202 119.950 0.116 0.000 2.519 314 F HA 0.111 4.637 4.527 -0.001 0.000 0.375 314 F C 1.091 176.934 175.800 0.072 0.000 1.084 314 F CA -0.104 57.943 58.000 0.078 0.000 1.147 314 F CB 0.140 39.164 39.000 0.041 0.000 1.088 314 F HN 0.133 nan 8.300 nan 0.000 0.555 315 R N 5.599 125.888 120.500 -0.351 0.000 2.441 315 R HA 0.008 4.347 4.340 -0.001 0.000 0.300 315 R C 1.380 177.539 176.300 -0.236 0.000 1.284 315 R CA -0.158 55.816 56.100 -0.209 0.000 1.069 315 R CB 0.150 30.352 30.300 -0.164 0.000 1.087 315 R HN 0.715 nan 8.270 nan 0.000 0.519 316 E N 2.560 122.790 120.200 0.050 0.000 2.085 316 E HA -0.255 4.094 4.350 -0.001 0.000 0.194 316 E C 1.664 178.359 176.600 0.158 0.000 0.994 316 E CA 1.471 58.018 56.400 0.246 0.000 0.801 316 E CB 0.279 30.149 29.700 0.283 0.000 0.743 316 E HN 0.620 nan 8.360 nan 0.000 0.453 317 E N 0.825 121.070 120.200 0.075 0.000 2.160 317 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 317 E C 2.159 178.774 176.600 0.024 0.000 0.991 317 E CA 1.044 57.471 56.400 0.045 0.000 0.810 317 E CB -0.522 29.193 29.700 0.026 0.000 0.742 317 E HN 0.122 nan 8.360 nan 0.000 0.466 318 V N 0.597 120.513 119.914 0.003 0.000 2.346 318 V HA -0.209 3.911 4.120 -0.001 0.000 0.244 318 V C 2.337 178.455 176.094 0.040 0.000 1.037 318 V CA 1.626 63.924 62.300 -0.003 0.000 1.029 318 V CB -0.942 30.856 31.823 -0.041 0.000 0.663 318 V HN 0.220 nan 8.190 nan 0.000 0.454 319 Y N 1.912 122.173 120.300 -0.065 0.000 2.128 319 Y HA -0.203 4.346 4.550 -0.001 0.000 0.284 319 Y C 2.544 178.490 175.900 0.076 0.000 1.154 319 Y CA 1.675 59.794 58.100 0.032 0.000 1.149 319 Y CB -0.217 38.334 38.460 0.152 0.000 0.976 319 Y HN 0.080 nan 8.280 nan 0.000 0.505 320 R N 0.762 121.207 120.500 -0.091 0.000 2.323 320 R HA 0.035 4.375 4.340 -0.001 0.000 0.198 320 R C 1.122 177.359 176.300 -0.106 0.000 0.988 320 R CA 0.666 56.668 56.100 -0.164 0.000 1.041 320 R CB -0.582 29.718 30.300 0.000 0.000 0.926 320 R HN 0.358 nan 8.270 nan 0.000 0.476 321 S N 0.929 116.589 115.700 -0.067 0.000 2.579 321 S HA 0.043 4.512 4.470 -0.001 0.000 0.275 321 S C 0.832 175.414 174.600 -0.030 0.000 1.345 321 S CA -0.176 58.004 58.200 -0.033 0.000 1.031 321 S CB 1.244 64.437 63.200 -0.011 0.000 0.892 321 S HN 0.239 nan 8.310 nan 0.000 0.529 322 S N 2.078 117.773 115.700 -0.008 0.000 2.902 322 S HA 0.372 4.841 4.470 -0.001 0.000 0.250 322 S C 0.010 174.624 174.600 0.024 0.000 1.046 322 S CA -0.859 57.347 58.200 0.010 0.000 1.069 322 S CB -0.114 63.084 63.200 -0.003 0.000 0.967 322 S HN 0.749 nan 8.310 nan 0.000 0.530 323 R N 1.958 122.474 120.500 0.027 0.000 2.582 323 R HA 0.453 4.792 4.340 -0.001 0.000 0.271 323 R C -2.657 173.678 176.300 0.059 0.000 1.078 323 R CA -1.700 54.413 56.100 0.021 0.000 1.127 323 R CB -0.101 30.206 30.300 0.012 0.000 1.038 323 R HN 0.226 nan 8.270 nan 0.000 0.500 324 P HA 0.013 nan 4.420 nan 0.000 0.267 324 P C -0.896 176.481 177.300 0.128 0.000 1.200 324 P CA 0.267 63.383 63.100 0.027 0.000 0.772 324 P CB 0.514 32.176 31.700 -0.064 0.000 0.855 325 L N 2.706 124.110 121.223 0.301 0.000 2.346 325 L HA 0.480 4.820 4.340 -0.001 0.000 0.274 325 L C 0.680 177.538 176.870 -0.021 0.000 1.007 325 L CA -0.836 54.031 54.840 0.046 0.000 0.818 325 L CB 1.820 43.779 42.059 -0.168 0.000 1.284 325 L HN 0.188 nan 8.230 nan 0.000 0.424 326 R N 2.021 122.459 120.500 -0.104 0.000 2.210 326 R HA 0.384 4.724 4.340 -0.001 0.000 0.338 326 R C -1.083 175.060 176.300 -0.263 0.000 1.062 326 R CA -0.398 55.619 56.100 -0.139 0.000 0.902 326 R CB 0.935 31.156 30.300 -0.132 0.000 1.050 326 R HN 0.273 nan 8.270 nan 0.000 0.461 327 V N 3.284 123.058 119.914 -0.234 0.000 2.313 327 V HA 0.292 4.411 4.120 -0.001 0.000 0.278 327 V C 0.851 176.851 176.094 -0.157 0.000 1.017 327 V CA -0.847 61.264 62.300 -0.316 0.000 0.823 327 V CB 1.444 33.085 31.823 -0.303 0.000 1.010 327 V HN 0.915 nan 8.190 nan 0.000 0.443 328 G N 4.319 112.943 108.800 -0.293 0.000 2.491 328 G HA2 0.429 4.389 3.960 -0.001 0.000 0.242 328 G HA3 0.429 4.389 3.960 -0.001 0.000 0.242 328 G C -0.881 174.091 174.900 0.121 0.000 1.266 328 G CA 0.065 45.068 45.100 -0.161 0.000 0.844 328 G HN 0.993 nan 8.290 nan 0.000 0.571 329 Y N 0.273 120.642 120.300 0.116 0.000 2.552 329 Y HA 0.654 5.204 4.550 -0.001 0.000 0.337 329 Y C -1.527 174.543 175.900 0.284 0.000 1.094 329 Y CA -2.099 56.073 58.100 0.120 0.000 1.028 329 Y CB 1.210 39.701 38.460 0.053 0.000 1.321 329 Y HN 0.822 nan 8.280 nan 0.000 0.456 330 Y N -0.130 120.261 120.300 0.152 0.000 2.524 330 Y HA 0.638 5.187 4.550 -0.001 0.000 0.347 330 Y C -0.099 175.943 175.900 0.237 0.000 1.005 330 Y CA -1.424 56.729 58.100 0.089 0.000 1.025 330 Y CB 1.906 40.427 38.460 0.102 0.000 1.275 330 Y HN 0.728 nan 8.280 nan 0.000 0.460 331 E N 0.474 120.887 120.200 0.354 0.000 2.400 331 E HA 0.104 4.453 4.350 -0.001 0.000 0.195 331 E C -0.084 176.718 176.600 0.337 0.000 1.012 331 E CA 0.811 57.379 56.400 0.280 0.000 0.875 331 E CB 0.724 30.570 29.700 0.244 0.000 0.859 331 E HN 0.626 nan 8.360 nan 0.000 0.498 332 T N 0.456 115.296 114.554 0.476 0.000 2.942 332 T HA 0.078 4.427 4.350 -0.001 0.000 0.327 332 T C -1.199 173.824 174.700 0.538 0.000 1.360 332 T CA -0.742 61.700 62.100 0.570 0.000 1.055 332 T CB 1.551 70.689 68.868 0.450 0.000 1.261 332 T HN 0.002 nan 8.240 nan 0.000 0.485 333 D N 2.231 122.911 120.400 0.467 0.000 2.339 333 D HA 0.117 4.756 4.640 -0.001 0.000 0.217 333 D C 0.558 176.864 176.300 0.010 0.000 1.050 333 D CA -0.126 53.927 54.000 0.089 0.000 0.856 333 D CB -0.233 40.491 40.800 -0.127 0.000 0.922 333 D HN 0.578 nan 8.370 nan 0.000 0.518 334 N N -0.872 117.838 118.700 0.015 0.000 2.708 334 N HA -0.283 4.457 4.740 -0.001 0.000 0.251 334 N C -0.437 174.997 175.510 -0.127 0.000 1.123 334 N CA 0.958 53.790 53.050 -0.363 0.000 0.739 334 N CB -1.649 36.629 38.487 -0.349 0.000 1.113 334 N HN 0.516 nan 8.380 nan 0.000 0.561 335 Y N -0.443 119.929 120.300 0.120 0.000 2.921 335 Y HA 0.184 4.733 4.550 -0.001 0.000 0.246 335 Y C 0.562 176.783 175.900 0.535 0.000 1.030 335 Y CA 0.744 59.049 58.100 0.342 0.000 1.338 335 Y CB 0.591 39.131 38.460 0.132 0.000 1.493 335 Y HN -0.063 nan 8.280 nan 0.000 0.452 336 T N 3.037 117.890 114.554 0.498 0.000 2.770 336 T HA 0.260 4.609 4.350 -0.001 0.000 0.297 336 T C -0.512 174.514 174.700 0.542 0.000 0.997 336 T CA -0.484 61.899 62.100 0.471 0.000 0.949 336 T CB 0.599 69.729 68.868 0.438 0.000 0.941 336 T HN 0.220 nan 8.240 nan 0.000 0.457 337 M N 7.494 127.234 119.600 0.234 0.000 2.290 337 M HA 0.137 4.616 4.480 -0.001 0.000 0.356 337 M C -2.131 174.398 176.300 0.382 0.000 1.448 337 M CA -0.950 54.344 55.300 -0.009 0.000 0.993 337 M CB 0.246 32.403 32.600 -0.738 0.000 1.934 337 M HN 0.194 nan 8.290 nan 0.000 0.461 338 P HA 0.118 nan 4.420 nan 0.000 0.271 338 P C -0.974 176.506 177.300 0.301 0.000 1.218 338 P CA -0.302 62.974 63.100 0.294 0.000 0.780 338 P CB 0.432 32.244 31.700 0.187 0.000 0.901 339 S N 2.591 118.406 115.700 0.192 0.000 2.573 339 S HA 0.089 4.558 4.470 -0.001 0.000 0.277 339 S C -1.580 173.081 174.600 0.101 0.000 1.346 339 S CA -0.630 57.639 58.200 0.116 0.000 1.034 339 S CB -0.554 62.633 63.200 -0.022 0.000 0.879 339 S HN 0.285 nan 8.310 nan 0.000 0.528 340 P HA -0.158 nan 4.420 nan 0.000 0.216 340 P C 1.696 179.011 177.300 0.024 0.000 1.157 340 P CA 2.195 65.330 63.100 0.059 0.000 0.880 340 P CB -0.310 31.418 31.700 0.047 0.000 0.791 341 A N -1.208 121.611 122.820 -0.001 0.000 1.908 341 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 341 A C 2.251 179.819 177.584 -0.027 0.000 1.181 341 A CA 2.236 54.259 52.037 -0.025 0.000 0.627 341 A CB -1.519 17.450 19.000 -0.052 0.000 0.818 341 A HN 0.123 nan 8.150 nan 0.000 0.445 342 M N -1.622 117.965 119.600 -0.022 0.000 2.086 342 M HA -0.162 4.317 4.480 -0.001 0.000 0.261 342 M C 2.461 178.747 176.300 -0.024 0.000 1.067 342 M CA 1.954 57.229 55.300 -0.040 0.000 1.116 342 M CB -0.261 32.308 32.600 -0.053 0.000 1.348 342 M HN 0.461 nan 8.290 nan 0.000 0.407 343 R N 0.016 120.527 120.500 0.018 0.000 2.075 343 R HA -0.138 4.201 4.340 -0.001 0.000 0.232 343 R C 2.306 178.623 176.300 0.028 0.000 1.126 343 R CA 1.481 57.608 56.100 0.044 0.000 0.963 343 R CB -0.155 30.191 30.300 0.078 0.000 0.858 343 R HN 0.275 nan 8.270 nan 0.000 0.435 344 R N 0.114 120.623 120.500 0.015 0.000 2.073 344 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 344 R C 2.121 178.414 176.300 -0.011 0.000 1.134 344 R CA 1.651 57.754 56.100 0.004 0.000 0.952 344 R CB -0.348 29.951 30.300 -0.001 0.000 0.850 344 R HN 0.272 nan 8.270 nan 0.000 0.433 345 A N 1.800 124.605 122.820 -0.025 0.000 1.892 345 A HA -0.194 4.126 4.320 -0.001 0.000 0.218 345 A C 2.156 179.715 177.584 -0.042 0.000 1.188 345 A CA 1.411 53.423 52.037 -0.040 0.000 0.631 345 A CB -0.809 18.158 19.000 -0.055 0.000 0.822 345 A HN 0.429 nan 8.150 nan 0.000 0.447 346 L N -0.069 121.133 121.223 -0.035 0.000 1.976 346 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 346 L C 2.409 179.265 176.870 -0.022 0.000 1.071 346 L CA 2.241 57.065 54.840 -0.026 0.000 0.746 346 L CB -0.978 41.081 42.059 0.000 0.000 0.890 346 L HN 0.477 nan 8.230 nan 0.000 0.432 347 I N 0.152 120.720 120.570 -0.003 0.000 2.208 347 I HA -0.334 3.835 4.170 -0.001 0.000 0.245 347 I C 2.504 178.595 176.117 -0.044 0.000 1.097 347 I CA 1.425 62.715 61.300 -0.017 0.000 1.363 347 I CB -0.220 37.790 38.000 0.016 0.000 1.051 347 I HN 0.360 nan 8.210 nan 0.000 0.413 348 E N 0.001 120.182 120.200 -0.032 0.000 2.106 348 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 348 E C 2.131 178.706 176.600 -0.041 0.000 0.984 348 E CA 1.727 58.107 56.400 -0.032 0.000 0.806 348 E CB -0.052 29.634 29.700 -0.025 0.000 0.750 348 E HN 0.501 nan 8.360 nan 0.000 0.458 349 T N 1.255 115.779 114.554 -0.049 0.000 2.737 349 T HA -0.158 4.191 4.350 -0.001 0.000 0.265 349 T C 1.788 176.454 174.700 -0.057 0.000 1.038 349 T CA 1.049 63.119 62.100 -0.051 0.000 1.144 349 T CB -0.110 68.718 68.868 -0.066 0.000 0.866 349 T HN 0.099 nan 8.240 nan 0.000 0.434 350 K N 1.172 121.510 120.400 -0.103 0.000 2.034 350 K HA -0.253 4.066 4.320 -0.001 0.000 0.214 350 K C 2.304 178.822 176.600 -0.137 0.000 1.051 350 K CA 1.772 57.943 56.287 -0.194 0.000 0.931 350 K CB -0.245 32.012 32.500 -0.405 0.000 0.715 350 K HN 0.425 nan 8.250 nan 0.000 0.446 351 Q N -0.111 119.628 119.800 -0.103 0.000 2.061 351 Q HA -0.147 4.193 4.340 -0.001 0.000 0.204 351 Q C 2.403 178.386 176.000 -0.028 0.000 0.984 351 Q CA 1.621 57.387 55.803 -0.062 0.000 0.846 351 Q CB -0.110 28.602 28.738 -0.044 0.000 0.902 351 Q HN 0.307 nan 8.270 nan 0.000 0.421 352 R N 0.221 120.711 120.500 -0.016 0.000 2.115 352 R HA -0.077 4.262 4.340 -0.001 0.000 0.230 352 R C 2.248 178.576 176.300 0.047 0.000 1.111 352 R CA 0.728 56.833 56.100 0.008 0.000 0.976 352 R CB -0.125 30.178 30.300 0.005 0.000 0.870 352 R HN 0.241 nan 8.270 nan 0.000 0.445 353 L N 0.342 121.601 121.223 0.059 0.000 2.046 353 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 353 L C 2.156 179.126 176.870 0.165 0.000 1.077 353 L CA 1.506 56.444 54.840 0.165 0.000 0.747 353 L CB -0.298 41.823 42.059 0.105 0.000 0.896 353 L HN 0.214 nan 8.230 nan 0.000 0.432 354 E N -0.055 120.178 120.200 0.055 0.000 2.077 354 E HA -0.229 4.121 4.350 -0.001 0.000 0.193 354 E C 2.261 178.863 176.600 0.004 0.000 0.989 354 E CA 1.123 57.536 56.400 0.021 0.000 0.800 354 E CB -0.189 29.501 29.700 -0.016 0.000 0.746 354 E HN 0.505 nan 8.360 nan 0.000 0.452 355 A N 1.138 123.961 122.820 0.004 0.000 2.019 355 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 355 A C 2.184 179.758 177.584 -0.017 0.000 1.164 355 A CA 1.470 53.504 52.037 -0.006 0.000 0.644 355 A CB -0.271 18.728 19.000 -0.002 0.000 0.805 355 A HN 0.257 nan 8.150 nan 0.000 0.449 356 A N -2.130 120.687 122.820 -0.005 0.000 2.307 356 A HA 0.452 4.771 4.320 -0.001 0.000 0.218 356 A C 1.581 179.031 177.584 -0.224 0.000 1.228 356 A CA 1.078 53.083 52.037 -0.053 0.000 0.857 356 A CB -0.656 18.369 19.000 0.041 0.000 0.897 356 A HN 1.761 nan 8.150 nan 0.000 0.495 357 G N -1.317 107.366 108.800 -0.194 0.000 2.184 357 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.206 357 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.206 357 G C 0.051 174.798 174.900 -0.255 0.000 0.995 357 G CA 0.030 44.992 45.100 -0.230 0.000 0.651 357 G HN 0.618 nan 8.290 nan 0.000 0.511 358 H N 0.885 119.941 119.070 -0.023 0.000 2.551 358 H HA 0.482 5.037 4.556 -0.001 0.000 0.358 358 H C -0.030 175.274 175.328 -0.041 0.000 1.151 358 H CA 0.772 56.798 56.048 -0.037 0.000 1.374 358 H CB 1.011 30.751 29.762 -0.036 0.000 1.473 358 H HN 0.101 nan 8.280 nan 0.000 0.574 359 T N 4.309 118.909 114.554 0.078 0.000 2.733 359 T HA 0.199 4.548 4.350 -0.001 0.000 0.294 359 T C 0.423 175.138 174.700 0.026 0.000 0.956 359 T CA -0.725 61.394 62.100 0.031 0.000 0.987 359 T CB 0.416 69.289 68.868 0.008 0.000 0.920 359 T HN 0.123 nan 8.240 nan 0.000 0.470 360 L N 4.919 126.167 121.223 0.042 0.000 2.265 360 L HA 0.536 4.876 4.340 -0.001 0.000 0.289 360 L C -0.282 176.738 176.870 0.249 0.000 1.033 360 L CA -0.344 54.544 54.840 0.081 0.000 0.814 360 L CB 0.900 42.898 42.059 -0.102 0.000 1.203 360 L HN 0.664 nan 8.230 nan 0.000 0.423 361 I N 6.089 126.839 120.570 0.299 0.000 2.410 361 I HA 0.310 4.479 4.170 -0.001 0.000 0.286 361 I C -2.150 174.027 176.117 0.101 0.000 1.009 361 I CA -1.909 59.502 61.300 0.186 0.000 1.111 361 I CB 2.076 40.100 38.000 0.040 0.000 1.262 361 I HN 0.351 nan 8.210 nan 0.000 0.443 362 P HA 0.096 nan 4.420 nan 0.000 0.264 362 P C -1.044 176.236 177.300 -0.032 0.000 1.193 362 P CA 0.302 63.186 63.100 -0.359 0.000 0.763 362 P CB 0.178 31.745 31.700 -0.221 0.000 0.810 363 F N 4.590 124.424 119.950 -0.194 0.000 2.623 363 F HA 0.519 5.046 4.527 -0.001 0.000 0.323 363 F C -2.126 173.682 175.800 0.012 0.000 1.158 363 F CA -0.915 57.048 58.000 -0.062 0.000 1.030 363 F CB 1.262 40.231 39.000 -0.053 0.000 1.280 363 F HN 0.078 nan 8.300 nan 0.000 0.474 364 L N 8.396 129.303 121.223 -0.527 0.000 2.406 364 L HA 0.711 5.050 4.340 -0.001 0.000 0.272 364 L C -2.586 173.898 176.870 -0.644 0.000 0.980 364 L CA -2.001 52.502 54.840 -0.562 0.000 0.831 364 L CB 1.843 43.621 42.059 -0.468 0.000 1.253 364 L HN 0.335 nan 8.230 nan 0.000 0.406 365 P HA 0.089 nan 4.420 nan 0.000 0.264 365 P C -1.188 176.005 177.300 -0.178 0.000 1.183 365 P CA 0.102 63.078 63.100 -0.206 0.000 0.763 365 P CB 0.155 31.857 31.700 0.003 0.000 0.807 366 N N 1.749 120.384 118.700 -0.109 0.000 2.453 366 N HA 0.020 4.759 4.740 -0.001 0.000 0.253 366 N C 0.033 175.618 175.510 0.125 0.000 1.252 366 N CA -0.383 52.650 53.050 -0.028 0.000 0.917 366 N CB -0.185 38.294 38.487 -0.013 0.000 1.117 366 N HN 0.253 nan 8.380 nan 0.000 0.442 367 N N -0.061 118.678 118.700 0.066 0.000 2.725 367 N HA -0.188 4.551 4.740 -0.001 0.000 0.251 367 N C 0.202 175.735 175.510 0.038 0.000 1.031 367 N CA 0.552 53.655 53.050 0.088 0.000 0.720 367 N CB -0.890 37.689 38.487 0.154 0.000 0.930 367 N HN 0.664 nan 8.380 nan 0.000 0.543 368 I N 0.404 120.957 120.570 -0.028 0.000 2.286 368 I HA -0.185 3.984 4.170 -0.001 0.000 0.248 368 I C -0.563 175.432 176.117 -0.204 0.000 1.115 368 I CA 1.253 62.469 61.300 -0.140 0.000 1.392 368 I CB -0.780 37.115 38.000 -0.174 0.000 1.065 368 I HN 0.188 nan 8.210 nan 0.000 0.418 369 P HA -0.231 nan 4.420 nan 0.000 0.215 369 P C 1.549 178.839 177.300 -0.016 0.000 1.153 369 P CA 1.433 64.539 63.100 0.009 0.000 0.853 369 P CB -0.166 31.665 31.700 0.218 0.000 0.788 370 Y N 1.187 121.396 120.300 -0.152 0.000 2.097 370 Y HA -0.245 4.304 4.550 -0.001 0.000 0.282 370 Y C 2.395 178.104 175.900 -0.319 0.000 1.152 370 Y CA 1.647 59.624 58.100 -0.205 0.000 1.136 370 Y CB -1.290 37.034 38.460 -0.227 0.000 0.975 370 Y HN -0.108 nan 8.280 nan 0.000 0.498 371 A N 0.155 122.627 122.820 -0.579 0.000 1.940 371 A HA -0.155 4.165 4.320 -0.001 0.000 0.219 371 A C 2.371 179.678 177.584 -0.462 0.000 1.176 371 A CA 2.004 53.586 52.037 -0.758 0.000 0.631 371 A CB -1.044 17.528 19.000 -0.713 0.000 0.814 371 A HN 0.569 nan 8.150 nan 0.000 0.446 372 L N -1.490 119.511 121.223 -0.370 0.000 2.084 372 L HA -0.076 4.263 4.340 -0.001 0.000 0.202 372 L C 2.582 179.370 176.870 -0.136 0.000 1.074 372 L CA 1.392 56.058 54.840 -0.290 0.000 0.757 372 L CB -0.595 41.184 42.059 -0.467 0.000 0.918 372 L HN 0.402 nan 8.230 nan 0.000 0.444 373 E N -0.480 119.670 120.200 -0.083 0.000 2.112 373 E HA -0.104 4.245 4.350 -0.001 0.000 0.190 373 E C 2.116 178.729 176.600 0.022 0.000 0.979 373 E CA 0.857 57.294 56.400 0.062 0.000 0.814 373 E CB 0.246 30.020 29.700 0.124 0.000 0.762 373 E HN 0.229 nan 8.360 nan 0.000 0.460 374 V N 0.771 120.635 119.914 -0.082 0.000 2.521 374 V HA -0.076 4.044 4.120 -0.001 0.000 0.239 374 V C 2.099 178.078 176.094 -0.193 0.000 1.053 374 V CA 0.796 63.036 62.300 -0.100 0.000 1.073 374 V CB -0.239 31.555 31.823 -0.048 0.000 0.746 374 V HN 0.169 nan 8.190 nan 0.000 0.476 375 L N -0.264 120.730 121.223 -0.382 0.000 2.068 375 L HA -0.042 4.298 4.340 -0.001 0.000 0.204 375 L C 2.595 179.340 176.870 -0.208 0.000 1.076 375 L CA 1.426 56.055 54.840 -0.351 0.000 0.753 375 L CB -0.653 41.083 42.059 -0.539 0.000 0.910 375 L HN 0.263 nan 8.230 nan 0.000 0.439 376 S N -0.578 115.002 115.700 -0.200 0.000 2.345 376 S HA -0.136 4.333 4.470 -0.001 0.000 0.219 376 S C 2.036 176.599 174.600 -0.061 0.000 1.031 376 S CA 1.732 59.855 58.200 -0.128 0.000 0.984 376 S CB -0.269 62.853 63.200 -0.130 0.000 0.874 376 S HN 0.371 nan 8.310 nan 0.000 0.451 377 T N 1.588 116.149 114.554 0.013 0.000 2.746 377 T HA -0.056 4.293 4.350 -0.001 0.000 0.267 377 T C 2.002 176.749 174.700 0.078 0.000 1.039 377 T CA 1.399 63.578 62.100 0.131 0.000 1.142 377 T CB -0.790 68.208 68.868 0.216 0.000 0.866 377 T HN 0.538 nan 8.240 nan 0.000 0.444 378 G N 0.727 109.534 108.800 0.012 0.000 2.394 378 G HA2 0.028 3.988 3.960 -0.001 0.000 0.215 378 G HA3 0.028 3.988 3.960 -0.001 0.000 0.215 378 G C 1.717 176.603 174.900 -0.023 0.000 1.165 378 G CA 0.858 45.961 45.100 0.005 0.000 0.784 378 G HN 0.555 nan 8.290 nan 0.000 0.535 379 G N 1.054 109.817 108.800 -0.062 0.000 2.421 379 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.216 379 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.216 379 G C 1.784 176.604 174.900 -0.134 0.000 1.171 379 G CA 0.762 45.817 45.100 -0.076 0.000 0.775 379 G HN 0.410 nan 8.290 nan 0.000 0.543 380 L N -1.168 119.916 121.223 -0.232 0.000 2.201 380 L HA 0.170 4.509 4.340 -0.001 0.000 0.212 380 L C 1.000 177.451 176.870 -0.698 0.000 1.105 380 L CA 0.487 55.027 54.840 -0.501 0.000 0.775 380 L CB -0.008 41.657 42.059 -0.656 0.000 0.913 380 L HN 0.109 nan 8.230 nan 0.000 0.440 381 F N -1.739 118.136 119.950 -0.124 0.000 2.818 381 F HA 0.222 4.748 4.527 -0.001 0.000 0.369 381 F C 1.688 177.433 175.800 -0.092 0.000 1.327 381 F CA -0.428 57.487 58.000 -0.142 0.000 1.211 381 F CB -0.200 38.693 39.000 -0.179 0.000 1.036 381 F HN -0.198 nan 8.300 nan 0.000 0.510 382 S N 0.124 115.857 115.700 0.055 0.000 2.419 382 S HA -0.192 4.277 4.470 -0.001 0.000 0.235 382 S C 1.680 176.304 174.600 0.040 0.000 1.019 382 S CA 1.780 60.002 58.200 0.037 0.000 0.982 382 S CB -0.194 63.017 63.200 0.018 0.000 0.789 382 S HN 0.614 nan 8.310 nan 0.000 0.490 383 D N -0.156 120.277 120.400 0.055 0.000 2.358 383 D HA 0.215 4.854 4.640 -0.001 0.000 0.224 383 D C 1.150 177.476 176.300 0.043 0.000 1.123 383 D CA 0.598 54.626 54.000 0.045 0.000 0.833 383 D CB -0.422 40.409 40.800 0.051 0.000 0.946 383 D HN 0.360 nan 8.370 nan 0.000 0.505 384 G N -0.131 108.693 108.800 0.039 0.000 2.184 384 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.264 384 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.264 384 G C 1.173 176.043 174.900 -0.051 0.000 0.975 384 G CA 0.426 45.515 45.100 -0.019 0.000 0.642 384 G HN 1.428 nan 8.290 nan 0.000 0.536 385 G N -1.257 107.583 108.800 0.067 0.000 2.176 385 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.232 385 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.232 385 G C 1.182 176.176 174.900 0.158 0.000 0.986 385 G CA 1.171 46.342 45.100 0.118 0.000 0.643 385 G HN 0.751 nan 8.290 nan 0.000 0.522 386 R N 0.837 121.397 120.500 0.100 0.000 2.080 386 R HA -0.058 4.282 4.340 -0.001 0.000 0.236 386 R C 2.717 179.085 176.300 0.112 0.000 1.137 386 R CA 1.934 58.084 56.100 0.083 0.000 0.943 386 R CB -0.740 29.591 30.300 0.053 0.000 0.846 386 R HN 0.454 nan 8.270 nan 0.000 0.431 387 S N 0.969 116.746 115.700 0.127 0.000 2.359 387 S HA -0.177 4.293 4.470 -0.001 0.000 0.224 387 S C 1.624 176.329 174.600 0.174 0.000 1.035 387 S CA 1.422 59.700 58.200 0.130 0.000 1.018 387 S CB -0.485 62.787 63.200 0.119 0.000 0.876 387 S HN 0.302 nan 8.310 nan 0.000 0.448 388 F N 2.275 122.261 119.950 0.061 0.000 2.126 388 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 388 F C 1.801 177.715 175.800 0.191 0.000 1.096 388 F CA 1.245 59.301 58.000 0.093 0.000 1.255 388 F CB -0.443 38.609 39.000 0.087 0.000 0.997 388 F HN 0.092 nan 8.300 nan 0.000 0.479 389 L N 0.004 121.320 121.223 0.155 0.000 2.275 389 L HA -0.193 4.147 4.340 -0.001 0.000 0.215 389 L C 2.446 179.359 176.870 0.073 0.000 1.119 389 L CA 0.546 55.435 54.840 0.082 0.000 0.790 389 L CB -0.687 41.411 42.059 0.065 0.000 0.919 389 L HN 0.194 nan 8.230 nan 0.000 0.443 390 Q N 0.050 119.877 119.800 0.044 0.000 2.181 390 Q HA -0.189 4.150 4.340 -0.001 0.000 0.205 390 Q C 1.817 177.799 176.000 -0.029 0.000 0.980 390 Q CA 1.177 56.990 55.803 0.017 0.000 0.862 390 Q CB -0.468 28.285 28.738 0.025 0.000 0.905 390 Q HN 0.620 nan 8.270 nan 0.000 0.429 391 N N -0.161 118.481 118.700 -0.096 0.000 2.289 391 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 391 N C 1.169 176.458 175.510 -0.368 0.000 1.016 391 N CA 0.910 53.798 53.050 -0.270 0.000 0.872 391 N CB -0.148 38.058 38.487 -0.468 0.000 0.973 391 N HN 0.259 nan 8.380 nan 0.000 0.433 392 F N 1.007 120.849 119.950 -0.179 0.000 2.727 392 F HA 0.206 4.733 4.527 -0.001 0.000 0.302 392 F C 0.748 176.484 175.800 -0.107 0.000 1.097 392 F CA -0.163 57.753 58.000 -0.141 0.000 1.330 392 F CB 0.275 39.181 39.000 -0.158 0.000 1.084 392 F HN -0.348 nan 8.300 nan 0.000 0.578 393 K N 0.759 121.180 120.400 0.034 0.000 2.419 393 K HA 0.244 4.564 4.320 -0.001 0.000 0.282 393 K C 1.164 177.739 176.600 -0.042 0.000 1.056 393 K CA 0.803 57.088 56.287 -0.002 0.000 1.035 393 K CB 0.074 32.567 32.500 -0.011 0.000 0.921 393 K HN 0.368 nan 8.250 nan 0.000 0.472 394 G N 2.460 111.223 108.800 -0.062 0.000 2.162 394 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.260 394 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.260 394 G C -0.129 174.667 174.900 -0.173 0.000 0.976 394 G CA 0.178 45.211 45.100 -0.112 0.000 0.655 394 G HN 0.636 nan 8.290 nan 0.000 0.533 395 D N -0.700 119.623 120.400 -0.129 0.000 2.272 395 D HA 0.646 5.286 4.640 -0.001 0.000 0.247 395 D C 0.588 176.810 176.300 -0.130 0.000 0.990 395 D CA -0.776 53.145 54.000 -0.132 0.000 0.931 395 D CB 0.662 41.437 40.800 -0.041 0.000 1.195 395 D HN -0.029 nan 8.370 nan 0.000 0.477 396 F N 0.047 120.023 119.950 0.044 0.000 2.450 396 F HA 0.218 4.744 4.527 -0.001 0.000 0.339 396 F C 0.729 176.607 175.800 0.130 0.000 1.146 396 F CA -0.352 57.684 58.000 0.059 0.000 1.267 396 F CB 0.668 39.685 39.000 0.029 0.000 1.178 396 F HN -0.101 nan 8.300 nan 0.000 0.585 397 V N 2.106 122.204 119.914 0.308 0.000 2.357 397 V HA 0.096 4.216 4.120 -0.001 0.000 0.284 397 V C -0.097 176.109 176.094 0.188 0.000 1.018 397 V CA -1.024 61.422 62.300 0.243 0.000 0.841 397 V CB 1.143 33.018 31.823 0.088 0.000 0.991 397 V HN 0.660 nan 8.190 nan 0.000 0.437 398 D N 6.677 127.193 120.400 0.195 0.000 2.488 398 D HA 0.062 4.701 4.640 -0.001 0.000 0.238 398 D C -1.492 174.855 176.300 0.077 0.000 1.138 398 D CA -1.080 52.991 54.000 0.117 0.000 0.873 398 D CB 2.142 43.013 40.800 0.118 0.000 1.183 398 D HN 0.242 nan 8.370 nan 0.000 0.458 399 P HA -0.129 nan 4.420 nan 0.000 0.218 399 P C 1.579 178.885 177.300 0.010 0.000 1.146 399 P CA 0.797 63.910 63.100 0.022 0.000 0.813 399 P CB -0.152 31.552 31.700 0.006 0.000 0.778 400 C N -2.158 117.149 119.300 0.011 0.000 2.449 400 C HA 0.040 4.499 4.460 -0.001 0.000 0.283 400 C C 2.197 177.177 174.990 -0.017 0.000 1.453 400 C CA 0.033 59.041 59.018 -0.016 0.000 1.779 400 C CB -2.154 25.577 27.740 -0.014 0.000 1.779 400 C HN 0.103 nan 8.230 nan 0.000 0.546 401 L N 1.270 122.512 121.223 0.031 0.000 2.591 401 L HA 0.296 4.635 4.340 -0.001 0.000 0.228 401 L C 2.056 178.942 176.870 0.026 0.000 1.133 401 L CA 0.592 55.464 54.840 0.053 0.000 0.880 401 L CB -1.088 41.036 42.059 0.107 0.000 1.033 401 L HN 0.711 nan 8.230 nan 0.000 0.450 402 G N 1.064 109.867 108.800 0.005 0.000 2.574 402 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.286 402 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.286 402 G C 0.163 175.077 174.900 0.023 0.000 1.212 402 G CA 0.353 45.458 45.100 0.009 0.000 0.979 402 G HN 0.321 nan 8.290 nan 0.000 0.557 403 D N 0.654 121.080 120.400 0.044 0.000 2.388 403 D HA 0.236 4.875 4.640 -0.001 0.000 0.221 403 D C 2.181 178.508 176.300 0.046 0.000 1.133 403 D CA 0.005 54.030 54.000 0.041 0.000 0.831 403 D CB 0.562 41.396 40.800 0.057 0.000 0.962 403 D HN 0.275 nan 8.370 nan 0.000 0.502 404 L N 0.753 122.012 121.223 0.060 0.000 2.042 404 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 404 L C 1.698 178.557 176.870 -0.018 0.000 1.076 404 L CA 1.588 56.476 54.840 0.079 0.000 0.749 404 L CB -0.227 41.928 42.059 0.160 0.000 0.893 404 L HN -0.064 nan 8.230 nan 0.000 0.432 405 I N -0.739 119.780 120.570 -0.084 0.000 2.252 405 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 405 I C 2.557 178.597 176.117 -0.128 0.000 1.102 405 I CA 1.312 62.498 61.300 -0.189 0.000 1.385 405 I CB -1.408 36.359 38.000 -0.388 0.000 1.064 405 I HN 0.354 nan 8.210 nan 0.000 0.414 406 L N 0.441 121.613 121.223 -0.085 0.000 2.042 406 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 406 L C 2.506 179.342 176.870 -0.056 0.000 1.076 406 L CA 1.666 56.469 54.840 -0.060 0.000 0.749 406 L CB -0.094 41.947 42.059 -0.030 0.000 0.893 406 L HN 0.088 nan 8.230 nan 0.000 0.432 407 I N -0.570 119.975 120.570 -0.042 0.000 2.233 407 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 407 I C 2.418 178.458 176.117 -0.128 0.000 1.093 407 I CA 1.092 62.365 61.300 -0.046 0.000 1.380 407 I CB -0.235 37.773 38.000 0.013 0.000 1.067 407 I HN 0.262 nan 8.210 nan 0.000 0.413 408 L N 0.329 121.442 121.223 -0.183 0.000 2.079 408 L HA -0.223 4.116 4.340 -0.001 0.000 0.210 408 L C 2.627 179.403 176.870 -0.156 0.000 1.081 408 L CA 1.424 56.116 54.840 -0.247 0.000 0.752 408 L CB -0.535 41.367 42.059 -0.262 0.000 0.896 408 L HN 0.190 nan 8.230 nan 0.000 0.433 409 R N -0.384 120.045 120.500 -0.118 0.000 2.237 409 R HA 0.011 4.351 4.340 -0.001 0.000 0.219 409 R C 0.564 176.798 176.300 -0.110 0.000 1.080 409 R CA 0.145 56.186 56.100 -0.097 0.000 0.995 409 R CB -0.205 30.042 30.300 -0.089 0.000 0.875 409 R HN 0.265 nan 8.270 nan 0.000 0.462 410 L N 2.434 123.587 121.223 -0.116 0.000 2.485 410 L HA 0.072 4.412 4.340 -0.001 0.000 0.275 410 L C -1.965 174.802 176.870 -0.172 0.000 1.207 410 L CA -1.811 52.947 54.840 -0.136 0.000 0.855 410 L CB -0.038 42.015 42.059 -0.011 0.000 1.114 410 L HN -0.155 nan 8.230 nan 0.000 0.485 411 P HA -0.022 nan 4.420 nan 0.000 0.269 411 P C 0.503 177.631 177.300 -0.286 0.000 1.209 411 P CA -0.005 62.922 63.100 -0.288 0.000 0.776 411 P CB 0.835 32.233 31.700 -0.502 0.000 0.876 412 S N 2.662 118.298 115.700 -0.107 0.000 2.374 412 S HA -0.157 4.313 4.470 -0.001 0.000 0.227 412 S C 1.529 176.125 174.600 -0.007 0.000 1.037 412 S CA 1.503 59.679 58.200 -0.040 0.000 1.024 412 S CB -0.775 62.447 63.200 0.037 0.000 0.861 412 S HN 0.683 nan 8.310 nan 0.000 0.456 413 W N -0.174 121.159 121.300 0.056 0.000 2.374 413 W HA -0.091 4.569 4.660 0.000 0.000 0.288 413 W C 1.836 178.408 176.519 0.088 0.000 1.218 413 W CA 0.537 57.917 57.345 0.058 0.000 1.245 413 W CB -1.214 28.283 29.460 0.061 0.000 1.126 413 W HN 0.394 nan 8.180 nan 0.000 0.545 414 F N 2.613 122.046 119.950 -0.862 0.000 2.234 414 F HA 0.045 4.571 4.527 -0.002 0.000 0.296 414 F C 2.457 178.052 175.800 -0.342 0.000 1.089 414 F CA 1.681 59.194 58.000 -0.813 0.000 1.343 414 F CB -0.323 37.929 39.000 -1.246 0.000 1.040 414 F HN -0.295 nan 8.300 nan 0.000 0.498 415 K N -0.055 120.199 120.400 -0.244 0.000 2.103 415 K HA -0.227 4.093 4.320 -0.001 0.000 0.207 415 K C 2.327 178.815 176.600 -0.186 0.000 1.048 415 K CA 1.590 57.751 56.287 -0.209 0.000 0.930 415 K CB -0.255 32.156 32.500 -0.149 0.000 0.716 415 K HN 0.229 nan 8.250 nan 0.000 0.444 416 R N 0.953 121.386 120.500 -0.112 0.000 2.062 416 R HA -0.123 4.217 4.340 -0.001 0.000 0.231 416 R C 2.363 178.622 176.300 -0.068 0.000 1.136 416 R CA 1.073 57.144 56.100 -0.049 0.000 0.948 416 R CB -0.284 30.035 30.300 0.033 0.000 0.845 416 R HN 0.101 nan 8.270 nan 0.000 0.430 417 L N 1.170 122.352 121.223 -0.069 0.000 1.989 417 L HA -0.158 4.182 4.340 -0.001 0.000 0.211 417 L C 2.140 178.891 176.870 -0.198 0.000 1.071 417 L CA 1.624 56.419 54.840 -0.074 0.000 0.749 417 L CB -0.839 41.234 42.059 0.024 0.000 0.890 417 L HN 0.277 nan 8.230 nan 0.000 0.431 418 L N -0.805 120.166 121.223 -0.419 0.000 2.042 418 L HA -0.193 4.147 4.340 -0.001 0.000 0.210 418 L C 2.777 179.527 176.870 -0.199 0.000 1.076 418 L CA 2.090 56.687 54.840 -0.405 0.000 0.749 418 L CB -0.987 40.688 42.059 -0.639 0.000 0.893 418 L HN 0.547 nan 8.230 nan 0.000 0.432 419 S N -1.029 114.574 115.700 -0.162 0.000 2.370 419 S HA -0.187 4.283 4.470 -0.001 0.000 0.226 419 S C 2.051 176.618 174.600 -0.055 0.000 1.033 419 S CA 1.636 59.786 58.200 -0.083 0.000 1.011 419 S CB -0.371 62.790 63.200 -0.065 0.000 0.852 419 S HN 0.485 nan 8.310 nan 0.000 0.457 420 L N 0.394 121.584 121.223 -0.056 0.000 2.093 420 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 420 L C 2.354 179.201 176.870 -0.038 0.000 1.085 420 L CA 0.632 55.451 54.840 -0.035 0.000 0.755 420 L CB -0.472 41.573 42.059 -0.023 0.000 0.904 420 L HN 0.315 nan 8.230 nan 0.000 0.435 421 L N -0.677 120.516 121.223 -0.051 0.000 2.093 421 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 421 L C 2.250 179.100 176.870 -0.033 0.000 1.085 421 L CA 1.639 56.454 54.840 -0.042 0.000 0.755 421 L CB -0.516 41.514 42.059 -0.050 0.000 0.904 421 L HN 0.161 nan 8.230 nan 0.000 0.435 422 L N -1.266 119.942 121.223 -0.025 0.000 2.341 422 L HA -0.104 4.235 4.340 -0.001 0.000 0.214 422 L C 2.461 179.323 176.870 -0.014 0.000 1.115 422 L CA 0.464 55.314 54.840 0.017 0.000 0.820 422 L CB -0.342 41.747 42.059 0.049 0.000 0.944 422 L HN 0.235 nan 8.230 nan 0.000 0.452 423 K N 0.759 121.144 120.400 -0.027 0.000 2.044 423 K HA -0.193 4.126 4.320 -0.001 0.000 0.210 423 K C -0.496 176.072 176.600 -0.053 0.000 1.049 423 K CA 1.644 57.915 56.287 -0.026 0.000 0.927 423 K CB -0.718 31.770 32.500 -0.019 0.000 0.713 423 K HN 0.210 nan 8.250 nan 0.000 0.443 424 P HA -0.124 nan 4.420 nan 0.000 0.218 424 P C 1.132 178.325 177.300 -0.178 0.000 1.149 424 P CA 1.115 64.155 63.100 -0.100 0.000 0.817 424 P CB 0.159 31.804 31.700 -0.092 0.000 0.785 425 L N -3.189 117.855 121.223 -0.298 0.000 2.262 425 L HA 0.171 4.510 4.340 -0.001 0.000 0.197 425 L C 0.634 177.075 176.870 -0.715 0.000 1.073 425 L CA 0.621 55.076 54.840 -0.642 0.000 0.800 425 L CB 0.027 41.459 42.059 -1.045 0.000 0.987 425 L HN -0.180 nan 8.230 nan 0.000 0.470 426 F N 0.150 120.064 119.950 -0.060 0.000 2.531 426 F HA 0.302 4.828 4.527 -0.001 0.000 0.333 426 F C -1.714 174.009 175.800 -0.128 0.000 1.292 426 F CA -1.669 56.267 58.000 -0.107 0.000 1.184 426 F CB 0.445 39.347 39.000 -0.165 0.000 1.426 426 F HN -0.111 nan 8.300 nan 0.000 0.559 427 P HA -0.176 nan 4.420 nan 0.000 0.220 427 P C 1.752 179.024 177.300 -0.047 0.000 1.148 427 P CA 1.177 64.282 63.100 0.010 0.000 0.803 427 P CB 0.221 31.951 31.700 0.051 0.000 0.782 428 R N 0.186 120.566 120.500 -0.200 0.000 2.066 428 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 428 R C 2.417 178.563 176.300 -0.257 0.000 1.131 428 R CA 1.223 57.113 56.100 -0.349 0.000 0.955 428 R CB -0.853 28.902 30.300 -0.907 0.000 0.851 428 R HN 0.113 nan 8.270 nan 0.000 0.432 429 L N 0.183 121.180 121.223 -0.378 0.000 2.046 429 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 429 L C 2.745 179.602 176.870 -0.021 0.000 1.077 429 L CA 1.292 55.943 54.840 -0.315 0.000 0.747 429 L CB -0.760 41.071 42.059 -0.381 0.000 0.896 429 L HN 0.335 nan 8.230 nan 0.000 0.432 430 A N 0.414 123.225 122.820 -0.015 0.000 1.883 430 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 430 A C 2.554 180.163 177.584 0.043 0.000 1.186 430 A CA 2.016 54.059 52.037 0.010 0.000 0.624 430 A CB -0.758 18.244 19.000 0.003 0.000 0.822 430 A HN 0.413 nan 8.150 nan 0.000 0.444 431 A N -1.485 121.377 122.820 0.069 0.000 1.930 431 A HA -0.020 4.299 4.320 -0.001 0.000 0.217 431 A C 2.082 179.771 177.584 0.175 0.000 1.175 431 A CA 1.418 53.518 52.037 0.106 0.000 0.627 431 A CB -0.696 18.374 19.000 0.117 0.000 0.815 431 A HN 0.669 nan 8.150 nan 0.000 0.443 432 F N 0.435 120.428 119.950 0.071 0.000 2.046 432 F HA -0.203 4.323 4.527 -0.001 0.000 0.297 432 F C 2.023 177.866 175.800 0.072 0.000 1.123 432 F CA 1.870 59.951 58.000 0.135 0.000 1.199 432 F CB -0.186 38.979 39.000 0.275 0.000 0.972 432 F HN 0.154 nan 8.300 nan 0.000 0.474 433 L N 0.398 121.624 121.223 0.005 0.000 2.042 433 L HA -0.307 4.033 4.340 -0.001 0.000 0.210 433 L C 2.182 178.971 176.870 -0.134 0.000 1.076 433 L CA 1.785 56.539 54.840 -0.142 0.000 0.749 433 L CB -0.830 41.188 42.059 -0.069 0.000 0.893 433 L HN 0.256 nan 8.230 nan 0.000 0.432 434 N N -0.011 118.654 118.700 -0.059 0.000 2.309 434 N HA -0.158 4.581 4.740 -0.001 0.000 0.182 434 N C 1.307 176.794 175.510 -0.040 0.000 1.018 434 N CA 1.064 54.089 53.050 -0.041 0.000 0.876 434 N CB -0.025 38.458 38.487 -0.006 0.000 0.972 434 N HN 0.262 nan 8.380 nan 0.000 0.434 435 N N -0.052 118.623 118.700 -0.041 0.000 2.270 435 N HA 0.069 4.809 4.740 -0.001 0.000 0.198 435 N C 0.386 175.871 175.510 -0.042 0.000 1.117 435 N CA 0.156 53.195 53.050 -0.019 0.000 0.845 435 N CB 0.235 38.738 38.487 0.027 0.000 0.980 435 N HN 0.552 nan 8.380 nan 0.000 0.486 436 M N -1.402 118.115 119.600 -0.138 0.000 2.576 436 M HA 0.374 4.853 4.480 -0.001 0.000 0.322 436 M C -0.191 176.021 176.300 -0.147 0.000 1.184 436 M CA -0.318 54.878 55.300 -0.173 0.000 0.967 436 M CB 0.439 32.743 32.600 -0.492 0.000 1.372 436 M HN -0.284 nan 8.290 nan 0.000 0.509 437 R N 2.073 122.523 120.500 -0.083 0.000 2.500 437 R HA 0.581 4.920 4.340 -0.001 0.000 0.277 437 R C -2.415 173.873 176.300 -0.020 0.000 1.026 437 R CA -1.610 54.455 56.100 -0.059 0.000 1.058 437 R CB 0.524 30.799 30.300 -0.042 0.000 1.078 437 R HN 0.102 nan 8.270 nan 0.000 0.509 438 P HA 0.055 nan 4.420 nan 0.000 0.272 438 P C -1.094 176.209 177.300 0.004 0.000 1.230 438 P CA 0.050 63.152 63.100 0.003 0.000 0.788 438 P CB 0.772 32.475 31.700 0.006 0.000 0.949 439 R N -0.551 119.950 120.500 0.002 0.000 2.752 439 R HA 0.547 4.887 4.340 -0.001 0.000 0.271 439 R C -0.576 175.710 176.300 -0.024 0.000 1.026 439 R CA -0.851 55.245 56.100 -0.006 0.000 0.901 439 R CB 0.437 30.736 30.300 -0.001 0.000 1.243 439 R HN 0.474 nan 8.270 nan 0.000 0.463 440 S N -0.087 115.589 115.700 -0.041 0.000 2.600 440 S HA 0.299 4.769 4.470 -0.001 0.000 0.265 440 S C 1.342 175.867 174.600 -0.126 0.000 1.325 440 S CA -0.144 58.008 58.200 -0.080 0.000 1.002 440 S CB 1.366 64.512 63.200 -0.089 0.000 0.921 440 S HN 0.815 nan 8.310 nan 0.000 0.554 441 A N 0.587 123.285 122.820 -0.203 0.000 1.933 441 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 441 A C 2.131 179.383 177.584 -0.554 0.000 1.175 441 A CA 1.712 53.540 52.037 -0.348 0.000 0.628 441 A CB -1.201 17.548 19.000 -0.419 0.000 0.814 441 A HN 1.026 nan 8.150 nan 0.000 0.444 442 E N -0.376 119.545 120.200 -0.465 0.000 2.085 442 E HA -0.272 4.077 4.350 -0.001 0.000 0.194 442 E C 1.852 178.397 176.600 -0.091 0.000 0.994 442 E CA 1.671 57.867 56.400 -0.341 0.000 0.801 442 E CB -0.057 29.528 29.700 -0.193 0.000 0.743 442 E HN 0.419 nan 8.360 nan 0.000 0.453 443 K N 0.145 120.507 120.400 -0.063 0.000 2.155 443 K HA -0.078 4.241 4.320 -0.001 0.000 0.203 443 K C 1.854 178.486 176.600 0.052 0.000 1.052 443 K CA 0.441 56.737 56.287 0.015 0.000 0.948 443 K CB -0.293 32.210 32.500 0.005 0.000 0.728 443 K HN 0.111 nan 8.250 nan 0.000 0.448 444 L N -0.389 120.846 121.223 0.021 0.000 2.046 444 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 444 L C 1.439 178.452 176.870 0.238 0.000 1.077 444 L CA 1.674 56.566 54.840 0.087 0.000 0.747 444 L CB -0.585 41.505 42.059 0.050 0.000 0.896 444 L HN 0.259 nan 8.230 nan 0.000 0.432 445 W N 0.571 121.893 121.300 0.037 0.000 2.335 445 W HA -0.213 4.446 4.660 -0.001 0.000 0.311 445 W C 2.780 179.343 176.519 0.074 0.000 1.213 445 W CA 1.641 59.013 57.345 0.044 0.000 1.274 445 W CB -1.110 28.367 29.460 0.028 0.000 1.148 445 W HN 0.250 nan 8.180 nan 0.000 0.498 446 K N 0.088 120.679 120.400 0.319 0.000 2.032 446 K HA -0.227 4.092 4.320 -0.001 0.000 0.209 446 K C 2.128 178.849 176.600 0.202 0.000 1.048 446 K CA 1.756 58.186 56.287 0.239 0.000 0.927 446 K CB -0.648 31.956 32.500 0.174 0.000 0.712 446 K HN 0.020 nan 8.250 nan 0.000 0.441 447 L N 1.621 122.937 121.223 0.155 0.000 2.017 447 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 447 L C 2.470 179.399 176.870 0.099 0.000 1.073 447 L CA 1.918 56.818 54.840 0.100 0.000 0.745 447 L CB -0.805 41.292 42.059 0.064 0.000 0.894 447 L HN 0.309 nan 8.230 nan 0.000 0.432 448 Q N -1.008 118.875 119.800 0.139 0.000 2.096 448 Q HA -0.288 4.051 4.340 -0.001 0.000 0.204 448 Q C 2.349 178.441 176.000 0.152 0.000 0.982 448 Q CA 2.203 58.081 55.803 0.126 0.000 0.850 448 Q CB -0.599 28.225 28.738 0.143 0.000 0.901 448 Q HN 0.750 nan 8.270 nan 0.000 0.422 449 H N -0.516 118.597 119.070 0.072 0.000 2.389 449 H HA -0.066 4.489 4.556 -0.001 0.000 0.299 449 H C 1.509 176.887 175.328 0.084 0.000 1.081 449 H CA 1.374 57.460 56.048 0.063 0.000 1.345 449 H CB 0.396 30.196 29.762 0.063 0.000 1.393 449 H HN 0.451 nan 8.280 nan 0.000 0.520 450 E N 0.422 120.644 120.200 0.036 0.000 2.072 450 E HA -0.136 4.214 4.350 -0.001 0.000 0.191 450 E C 2.406 179.028 176.600 0.037 0.000 0.985 450 E CA 0.943 57.356 56.400 0.021 0.000 0.801 450 E CB 0.128 29.896 29.700 0.114 0.000 0.750 450 E HN 0.530 nan 8.360 nan 0.000 0.452 451 I N 1.280 121.861 120.570 0.017 0.000 2.163 451 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 451 I C 2.718 178.877 176.117 0.070 0.000 1.085 451 I CA 1.271 62.585 61.300 0.023 0.000 1.347 451 I CB -0.297 37.703 38.000 0.001 0.000 1.044 451 I HN 0.181 nan 8.210 nan 0.000 0.408 452 E N 1.202 121.433 120.200 0.053 0.000 2.031 452 E HA -0.257 4.092 4.350 -0.001 0.000 0.193 452 E C 2.378 178.994 176.600 0.027 0.000 0.994 452 E CA 1.497 57.930 56.400 0.055 0.000 0.800 452 E CB -0.065 29.694 29.700 0.098 0.000 0.752 452 E HN 0.411 nan 8.360 nan 0.000 0.447 453 M N -0.404 119.169 119.600 -0.044 0.000 2.159 453 M HA -0.162 4.317 4.480 -0.001 0.000 0.263 453 M C 2.235 178.570 176.300 0.059 0.000 1.063 453 M CA 1.379 56.655 55.300 -0.040 0.000 1.110 453 M CB -0.381 32.130 32.600 -0.148 0.000 1.374 453 M HN 0.254 nan 8.290 nan 0.000 0.411 454 Y N 0.722 121.021 120.300 -0.000 0.000 2.200 454 Y HA -0.222 4.327 4.550 -0.001 0.000 0.290 454 Y C 2.599 178.504 175.900 0.009 0.000 1.137 454 Y CA 1.618 59.735 58.100 0.028 0.000 1.163 454 Y CB -0.110 38.356 38.460 0.011 0.000 0.988 454 Y HN 0.061 nan 8.280 nan 0.000 0.518 455 R N -0.116 120.352 120.500 -0.053 0.000 2.083 455 R HA -0.206 4.133 4.340 -0.001 0.000 0.237 455 R C 2.225 178.504 176.300 -0.036 0.000 1.137 455 R CA 1.927 57.983 56.100 -0.073 0.000 0.951 455 R CB -0.128 30.198 30.300 0.043 0.000 0.851 455 R HN 0.389 nan 8.270 nan 0.000 0.434 456 Q N -0.296 119.498 119.800 -0.010 0.000 2.167 456 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 456 Q C 2.089 178.086 176.000 -0.006 0.000 0.970 456 Q CA 1.560 57.368 55.803 0.008 0.000 0.855 456 Q CB -0.255 28.495 28.738 0.020 0.000 0.911 456 Q HN 0.286 nan 8.270 nan 0.000 0.438 457 S N 0.130 115.799 115.700 -0.051 0.000 2.356 457 S HA -0.110 4.360 4.470 -0.001 0.000 0.223 457 S C 2.048 176.618 174.600 -0.050 0.000 1.032 457 S CA 1.398 59.567 58.200 -0.051 0.000 1.005 457 S CB -0.091 63.075 63.200 -0.056 0.000 0.867 457 S HN 0.174 nan 8.310 nan 0.000 0.449 458 V N 1.736 121.554 119.914 -0.160 0.000 2.453 458 V HA -0.055 4.064 4.120 -0.001 0.000 0.247 458 V C 2.327 178.573 176.094 0.254 0.000 1.048 458 V CA 1.635 63.933 62.300 -0.004 0.000 1.049 458 V CB -0.646 31.050 31.823 -0.212 0.000 0.672 458 V HN 0.503 nan 8.190 nan 0.000 0.457 459 I N 0.625 121.300 120.570 0.176 0.000 2.226 459 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 459 I C 2.672 178.886 176.117 0.160 0.000 1.100 459 I CA 1.572 62.947 61.300 0.125 0.000 1.374 459 I CB -0.551 37.459 38.000 0.016 0.000 1.057 459 I HN 0.290 nan 8.210 nan 0.000 0.413 460 A N -0.127 122.769 122.820 0.127 0.000 1.902 460 A HA -0.293 4.026 4.320 -0.001 0.000 0.217 460 A C 2.315 180.014 177.584 0.192 0.000 1.181 460 A CA 1.841 53.954 52.037 0.126 0.000 0.623 460 A CB -0.717 18.330 19.000 0.079 0.000 0.818 460 A HN 0.504 nan 8.150 nan 0.000 0.443 461 Q N -1.469 118.475 119.800 0.240 0.000 2.050 461 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 461 Q C 2.037 178.359 176.000 0.536 0.000 0.980 461 Q CA 1.744 57.741 55.803 0.324 0.000 0.840 461 Q CB -0.288 28.615 28.738 0.275 0.000 0.898 461 Q HN 0.874 nan 8.270 nan 0.000 0.424 462 W N 1.400 122.899 121.300 0.332 0.000 2.355 462 W HA -0.197 4.462 4.660 -0.001 0.000 0.309 462 W C 1.453 177.970 176.519 -0.003 0.000 1.206 462 W CA 1.337 58.715 57.345 0.054 0.000 1.284 462 W CB -0.146 29.334 29.460 0.033 0.000 1.145 462 W HN 0.076 nan 8.180 nan 0.000 0.502 463 K N 0.600 121.244 120.400 0.405 0.000 2.147 463 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 463 K C 2.180 178.870 176.600 0.150 0.000 1.049 463 K CA 1.566 57.998 56.287 0.242 0.000 0.936 463 K CB -1.237 31.359 32.500 0.159 0.000 0.722 463 K HN 0.199 nan 8.250 nan 0.000 0.446 464 A N 0.582 123.497 122.820 0.160 0.000 2.015 464 A HA -0.078 4.241 4.320 -0.001 0.000 0.219 464 A C 1.850 179.490 177.584 0.093 0.000 1.163 464 A CA 1.194 53.300 52.037 0.116 0.000 0.646 464 A CB -0.190 18.883 19.000 0.121 0.000 0.806 464 A HN 0.121 nan 8.150 nan 0.000 0.448 465 M N -1.068 118.588 119.600 0.093 0.000 2.371 465 M HA 0.152 4.631 4.480 -0.001 0.000 0.246 465 M C 0.509 176.779 176.300 -0.050 0.000 1.103 465 M CA 0.049 55.366 55.300 0.029 0.000 1.010 465 M CB -1.219 31.409 32.600 0.047 0.000 1.457 465 M HN 0.674 nan 8.290 nan 0.000 0.486 466 N N 1.924 120.609 118.700 -0.025 0.000 2.725 466 N HA -0.162 4.578 4.740 -0.001 0.000 0.251 466 N C -1.078 174.355 175.510 -0.128 0.000 1.031 466 N CA -0.133 52.899 53.050 -0.029 0.000 0.720 466 N CB -0.621 37.860 38.487 -0.011 0.000 0.930 466 N HN 0.349 nan 8.380 nan 0.000 0.543 467 L N 0.191 121.224 121.223 -0.317 0.000 2.417 467 L HA 0.171 4.510 4.340 -0.001 0.000 0.268 467 L C 1.349 178.069 176.870 -0.250 0.000 1.158 467 L CA -0.536 53.968 54.840 -0.560 0.000 0.819 467 L CB 0.606 41.821 42.059 -1.407 0.000 1.112 467 L HN 0.156 nan 8.230 nan 0.000 0.458 468 D N 0.577 120.838 120.400 -0.231 0.000 2.269 468 D HA 0.075 4.714 4.640 -0.001 0.000 0.220 468 D C 0.332 176.633 176.300 0.000 0.000 0.962 468 D CA 1.036 55.005 54.000 -0.053 0.000 0.884 468 D CB 0.682 41.413 40.800 -0.116 0.000 1.023 468 D HN 0.350 nan 8.370 nan 0.000 0.484 469 V N -1.578 118.147 119.914 -0.315 0.000 3.182 469 V HA 0.702 4.821 4.120 -0.001 0.000 0.308 469 V C -1.464 174.316 176.094 -0.524 0.000 1.240 469 V CA -1.162 60.967 62.300 -0.285 0.000 1.063 469 V CB 2.576 34.054 31.823 -0.575 0.000 1.076 469 V HN -0.063 nan 8.190 nan 0.000 0.446 470 L N 1.628 122.732 121.223 -0.199 0.000 2.436 470 L HA 0.834 5.173 4.340 -0.001 0.000 0.268 470 L C -1.385 175.572 176.870 0.145 0.000 0.974 470 L CA -0.598 54.172 54.840 -0.117 0.000 0.826 470 L CB 1.664 43.707 42.059 -0.027 0.000 1.291 470 L HN 0.914 nan 8.230 nan 0.000 0.406 471 L N 4.806 126.117 121.223 0.147 0.000 2.305 471 L HA 0.845 5.184 4.340 -0.001 0.000 0.284 471 L C -0.234 176.589 176.870 -0.078 0.000 1.013 471 L CA 0.413 55.347 54.840 0.157 0.000 0.819 471 L CB 1.491 43.701 42.059 0.251 0.000 1.227 471 L HN 0.880 nan 8.230 nan 0.000 0.417 472 T N 2.756 117.202 114.554 -0.181 0.000 2.916 472 T HA 0.787 5.136 4.350 -0.001 0.000 0.292 472 T C -2.892 171.666 174.700 -0.238 0.000 1.064 472 T CA -2.208 59.636 62.100 -0.426 0.000 1.011 472 T CB 1.970 70.620 68.868 -0.363 0.000 1.152 472 T HN 0.362 nan 8.240 nan 0.000 0.510 473 P HA 0.448 nan 4.420 nan 0.000 0.272 473 P C -0.976 176.100 177.300 -0.373 0.000 1.230 473 P CA -0.613 62.287 63.100 -0.333 0.000 0.788 473 P CB 0.335 31.730 31.700 -0.509 0.000 0.949 474 M N 2.260 121.687 119.600 -0.289 0.000 2.464 474 M HA 0.417 4.896 4.480 -0.001 0.000 0.308 474 M C -1.497 174.739 176.300 -0.107 0.000 1.127 474 M CA -1.481 53.714 55.300 -0.175 0.000 0.913 474 M CB 1.284 33.826 32.600 -0.098 0.000 1.689 474 M HN 0.072 nan 8.290 nan 0.000 0.445 475 L N 4.474 125.720 121.223 0.038 0.000 2.559 475 L HA 0.572 4.912 4.340 -0.001 0.000 0.274 475 L C 0.107 177.169 176.870 0.320 0.000 1.205 475 L CA 1.568 56.543 54.840 0.225 0.000 0.907 475 L CB -0.374 41.947 42.059 0.437 0.000 1.153 475 L HN 0.875 nan 8.230 nan 0.000 0.490 476 G N 4.627 113.526 108.800 0.166 0.000 2.325 476 G HA2 0.339 4.298 3.960 -0.001 0.000 0.297 476 G HA3 0.339 4.298 3.960 -0.001 0.000 0.297 476 G C -3.314 171.535 174.900 -0.085 0.000 1.448 476 G CA -0.570 44.543 45.100 0.022 0.000 0.838 476 G HN 0.508 nan 8.290 nan 0.000 0.579 477 P HA 0.504 nan 4.420 nan 0.000 0.297 477 P C 0.340 177.304 177.300 -0.560 0.000 1.303 477 P CA 0.133 63.064 63.100 -0.283 0.000 0.753 477 P CB 0.544 32.093 31.700 -0.252 0.000 1.281 478 A N -0.045 122.322 122.820 -0.755 0.000 2.540 478 A HA 0.202 4.521 4.320 -0.001 0.000 0.239 478 A C 0.207 177.399 177.584 -0.653 0.000 1.061 478 A CA 0.148 51.461 52.037 -1.206 0.000 0.758 478 A CB -1.099 17.512 19.000 -0.648 0.000 0.991 478 A HN 0.367 nan 8.150 nan 0.000 0.502 479 L N 2.083 122.962 121.223 -0.574 0.000 2.439 479 L HA 0.249 4.588 4.340 -0.001 0.000 0.261 479 L C 0.508 177.295 176.870 -0.139 0.000 1.153 479 L CA 0.102 54.810 54.840 -0.221 0.000 0.808 479 L CB 0.274 42.289 42.059 -0.072 0.000 1.126 479 L HN 0.640 nan 8.230 nan 0.000 0.460 480 D N 0.682 121.021 120.400 -0.101 0.000 2.419 480 D HA 0.134 4.773 4.640 -0.001 0.000 0.236 480 D C -0.013 176.253 176.300 -0.057 0.000 1.165 480 D CA 0.039 53.998 54.000 -0.068 0.000 0.882 480 D CB 0.347 41.113 40.800 -0.057 0.000 1.201 480 D HN 0.247 nan 8.370 nan 0.000 0.443 481 L N 2.967 124.167 121.223 -0.038 0.000 2.593 481 L HA -0.115 4.225 4.340 -0.001 0.000 0.287 481 L C 1.056 177.896 176.870 -0.049 0.000 1.243 481 L CA 0.233 55.054 54.840 -0.033 0.000 0.890 481 L CB 0.003 42.051 42.059 -0.018 0.000 1.134 481 L HN 0.485 nan 8.230 nan 0.000 0.502 482 N N -0.051 118.611 118.700 -0.064 0.000 2.878 482 N HA -0.193 4.547 4.740 -0.001 0.000 0.247 482 N C 0.960 176.417 175.510 -0.088 0.000 1.021 482 N CA 1.360 54.369 53.050 -0.069 0.000 0.873 482 N CB -1.083 37.380 38.487 -0.041 0.000 1.128 482 N HN 0.953 nan 8.380 nan 0.000 0.571 483 T N -4.471 110.014 114.554 -0.115 0.000 3.000 483 T HA 0.190 4.540 4.350 -0.001 0.000 0.248 483 T C -1.232 173.339 174.700 -0.216 0.000 1.034 483 T CA 0.225 62.251 62.100 -0.123 0.000 1.060 483 T CB 0.018 68.835 68.868 -0.085 0.000 0.983 483 T HN -0.070 nan 8.240 nan 0.000 0.482 484 P HA -0.012 nan 4.420 nan 0.000 0.216 484 P C 1.830 178.734 177.300 -0.659 0.000 1.150 484 P CA 1.568 64.161 63.100 -0.845 0.000 0.843 484 P CB -0.669 30.227 31.700 -1.339 0.000 0.787 485 G N -0.855 107.707 108.800 -0.396 0.000 2.535 485 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.218 485 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.218 485 G C 1.429 176.234 174.900 -0.159 0.000 1.122 485 G CA 0.312 45.275 45.100 -0.229 0.000 0.769 485 G HN 0.296 nan 8.290 nan 0.000 0.549 486 R N -0.524 119.885 120.500 -0.151 0.000 2.472 486 R HA 0.389 4.729 4.340 -0.001 0.000 0.279 486 R C 0.587 176.833 176.300 -0.090 0.000 0.953 486 R CA 0.234 56.296 56.100 -0.063 0.000 1.088 486 R CB 0.911 31.210 30.300 -0.001 0.000 1.197 486 R HN 0.186 nan 8.270 nan 0.000 0.536 487 A N 0.427 123.119 122.820 -0.213 0.000 3.218 487 A HA 0.234 4.553 4.320 -0.001 0.000 0.321 487 A C 0.601 177.954 177.584 -0.385 0.000 1.012 487 A CA -0.432 51.487 52.037 -0.196 0.000 0.948 487 A CB 0.249 19.254 19.000 0.007 0.000 1.050 487 A HN -0.002 nan 8.150 nan 0.000 0.492 488 T N -0.050 113.858 114.554 -1.077 0.000 2.867 488 T HA -0.077 4.272 4.350 -0.001 0.000 0.268 488 T C 2.117 176.292 174.700 -0.874 0.000 1.057 488 T CA 1.933 63.385 62.100 -1.081 0.000 1.136 488 T CB -0.023 67.892 68.868 -1.589 0.000 0.874 488 T HN 0.688 nan 8.240 nan 0.000 0.466 489 G N 1.118 109.385 108.800 -0.889 0.000 2.462 489 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.220 489 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.220 489 G C 1.646 176.611 174.900 0.108 0.000 1.121 489 G CA 0.740 45.814 45.100 -0.044 0.000 0.758 489 G HN 0.580 nan 8.290 nan 0.000 0.559 490 A N 0.579 123.432 122.820 0.055 0.000 2.216 490 A HA 0.171 4.491 4.320 -0.001 0.000 0.214 490 A C 2.369 180.007 177.584 0.090 0.000 1.160 490 A CA 1.411 53.538 52.037 0.150 0.000 0.725 490 A CB -0.417 18.694 19.000 0.184 0.000 0.784 490 A HN 0.907 nan 8.150 nan 0.000 0.472 491 V N -1.296 118.605 119.914 -0.022 0.000 3.510 491 V HA -0.080 4.039 4.120 -0.001 0.000 0.270 491 V C 1.985 178.089 176.094 0.017 0.000 1.201 491 V CA 1.569 63.901 62.300 0.054 0.000 1.166 491 V CB -1.380 30.433 31.823 -0.017 0.000 0.825 491 V HN 0.608 nan 8.190 nan 0.000 0.484 492 S N 0.237 115.937 115.700 -0.001 0.000 2.370 492 S HA -0.265 4.204 4.470 -0.001 0.000 0.226 492 S C 1.821 176.332 174.600 -0.148 0.000 1.033 492 S CA 1.837 59.950 58.200 -0.146 0.000 1.011 492 S CB -1.075 62.037 63.200 -0.146 0.000 0.852 492 S HN 0.625 nan 8.310 nan 0.000 0.457 493 Y N 3.128 123.481 120.300 0.088 0.000 2.242 493 Y HA -0.071 4.479 4.550 -0.001 0.000 0.291 493 Y C 3.279 179.233 175.900 0.090 0.000 1.137 493 Y CA 1.393 59.575 58.100 0.136 0.000 1.181 493 Y CB -1.053 37.494 38.460 0.145 0.000 0.989 493 Y HN 0.602 nan 8.280 nan 0.000 0.527 494 T N -3.372 111.223 114.554 0.069 0.000 2.901 494 T HA -0.122 4.228 4.350 -0.001 0.000 0.252 494 T C 1.857 176.527 174.700 -0.050 0.000 1.035 494 T CA 0.928 62.991 62.100 -0.063 0.000 1.142 494 T CB -0.571 68.016 68.868 -0.469 0.000 0.869 494 T HN 0.165 nan 8.240 nan 0.000 0.442 495 M N 1.452 120.993 119.600 -0.099 0.000 2.213 495 M HA 0.157 4.636 4.480 -0.001 0.000 0.263 495 M C 1.934 178.122 176.300 -0.186 0.000 1.062 495 M CA 0.919 56.146 55.300 -0.122 0.000 1.105 495 M CB -1.053 31.477 32.600 -0.117 0.000 1.385 495 M HN 0.274 nan 8.290 nan 0.000 0.417 496 L N -0.456 120.596 121.223 -0.285 0.000 2.051 496 L HA -0.227 4.112 4.340 -0.001 0.000 0.214 496 L C 1.577 178.096 176.870 -0.585 0.000 1.076 496 L CA 2.086 56.627 54.840 -0.498 0.000 0.758 496 L CB -0.975 40.651 42.059 -0.723 0.000 0.890 496 L HN 0.466 nan 8.230 nan 0.000 0.433 497 Y N -1.195 119.061 120.300 -0.074 0.000 2.523 497 Y HA 0.066 4.615 4.550 -0.001 0.000 0.279 497 Y C 2.154 178.008 175.900 -0.077 0.000 1.139 497 Y CA 0.663 58.709 58.100 -0.091 0.000 1.296 497 Y CB -0.701 37.764 38.460 0.009 0.000 1.045 497 Y HN 0.344 nan 8.280 nan 0.000 0.538 498 N N -0.845 117.850 118.700 -0.007 0.000 2.135 498 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 498 N C 1.937 177.408 175.510 -0.065 0.000 1.027 498 N CA 1.427 54.458 53.050 -0.031 0.000 0.849 498 N CB -0.653 37.806 38.487 -0.047 0.000 1.002 498 N HN 0.298 nan 8.380 nan 0.000 0.425 499 C N 0.786 120.018 119.300 -0.113 0.000 2.393 499 C HA -0.036 4.423 4.460 -0.001 0.000 0.276 499 C C 2.274 177.213 174.990 -0.085 0.000 1.215 499 C CA 0.784 59.734 59.018 -0.114 0.000 1.743 499 C CB -1.226 26.415 27.740 -0.165 0.000 2.044 499 C HN 0.428 nan 8.230 nan 0.000 0.464 500 L N 0.087 121.214 121.223 -0.160 0.000 2.395 500 L HA 0.028 4.367 4.340 -0.001 0.000 0.218 500 L C 0.931 177.762 176.870 -0.065 0.000 1.130 500 L CA 1.302 55.987 54.840 -0.258 0.000 0.826 500 L CB -0.536 41.044 42.059 -0.799 0.000 0.941 500 L HN 0.398 nan 8.230 nan 0.000 0.451 501 D N 0.154 120.556 120.400 0.003 0.000 2.737 501 D HA -0.256 4.383 4.640 -0.001 0.000 0.238 501 D C -0.451 175.991 176.300 0.237 0.000 1.157 501 D CA 0.613 54.652 54.000 0.065 0.000 0.694 501 D CB -1.195 39.604 40.800 -0.001 0.000 1.021 501 D HN 0.156 nan 8.370 nan 0.000 0.420 502 F N 0.056 119.989 119.950 -0.028 0.000 2.425 502 F HA 0.448 4.974 4.527 -0.001 0.000 0.331 502 F C -1.388 174.367 175.800 -0.074 0.000 1.085 502 F CA -2.468 55.489 58.000 -0.072 0.000 1.028 502 F CB 1.782 40.805 39.000 0.038 0.000 1.177 502 F HN -0.117 nan 8.300 nan 0.000 0.487 503 P HA 0.132 nan 4.420 nan 0.000 0.267 503 P C -1.351 175.972 177.300 0.038 0.000 1.205 503 P CA 0.024 63.130 63.100 0.011 0.000 0.765 503 P CB 1.110 32.794 31.700 -0.028 0.000 0.828 504 A N 2.930 125.763 122.820 0.022 0.000 2.427 504 A HA 0.780 5.100 4.320 -0.001 0.000 0.298 504 A C -0.259 177.313 177.584 -0.021 0.000 1.036 504 A CA -0.469 51.557 52.037 -0.019 0.000 0.701 504 A CB 1.763 20.751 19.000 -0.020 0.000 1.250 504 A HN 0.593 nan 8.150 nan 0.000 0.412 505 G N -0.290 108.490 108.800 -0.034 0.000 2.680 505 G HA2 0.816 4.775 3.960 -0.001 0.000 0.290 505 G HA3 0.816 4.775 3.960 -0.001 0.000 0.290 505 G C -0.830 174.028 174.900 -0.071 0.000 1.355 505 G CA -0.043 45.033 45.100 -0.041 0.000 0.903 505 G HN 1.961 nan 8.290 nan 0.000 0.474 506 V N -2.378 117.494 119.914 -0.069 0.000 2.876 506 V HA 0.887 5.006 4.120 -0.001 0.000 0.312 506 V C -0.839 175.213 176.094 -0.069 0.000 1.085 506 V CA -1.036 61.215 62.300 -0.081 0.000 0.945 506 V CB 1.525 33.301 31.823 -0.078 0.000 1.017 506 V HN 0.678 nan 8.190 nan 0.000 0.428 507 V N 3.966 123.828 119.914 -0.086 0.000 2.638 507 V HA 0.551 4.671 4.120 -0.001 0.000 0.306 507 V C -2.623 173.434 176.094 -0.062 0.000 1.052 507 V CA -1.810 60.446 62.300 -0.073 0.000 0.885 507 V CB 2.257 34.013 31.823 -0.112 0.000 0.999 507 V HN 0.895 nan 8.190 nan 0.000 0.424 508 P HA 0.219 nan 4.420 nan 0.000 0.276 508 P C 0.441 177.715 177.300 -0.044 0.000 1.235 508 P CA 0.043 63.121 63.100 -0.037 0.000 0.772 508 P CB 1.176 32.869 31.700 -0.011 0.000 0.871 509 V N -0.030 119.850 119.914 -0.056 0.000 3.562 509 V HA 0.352 4.471 4.120 -0.001 0.000 0.270 509 V C 0.497 176.563 176.094 -0.046 0.000 1.418 509 V CA 0.650 62.919 62.300 -0.052 0.000 1.033 509 V CB 0.278 32.062 31.823 -0.064 0.000 0.820 509 V HN 0.578 nan 8.190 nan 0.000 0.441 510 T N 0.408 114.927 114.554 -0.058 0.000 2.661 510 T HA 0.578 4.927 4.350 -0.001 0.000 0.305 510 T C -0.990 173.655 174.700 -0.092 0.000 1.441 510 T CA 0.526 62.591 62.100 -0.058 0.000 0.999 510 T CB 1.695 70.533 68.868 -0.050 0.000 1.650 510 T HN 0.833 nan 8.240 nan 0.000 0.489 511 T N -0.787 113.715 114.554 -0.086 0.000 2.907 511 T HA 0.709 5.058 4.350 -0.001 0.000 0.292 511 T C -0.462 174.182 174.700 -0.094 0.000 1.043 511 T CA -0.687 61.338 62.100 -0.125 0.000 1.003 511 T CB 1.152 69.952 68.868 -0.114 0.000 1.084 511 T HN 0.497 nan 8.240 nan 0.000 0.483 512 V N 3.564 123.412 119.914 -0.111 0.000 2.529 512 V HA 0.322 4.442 4.120 -0.001 0.000 0.292 512 V C 1.411 177.474 176.094 -0.051 0.000 1.028 512 V CA 0.001 62.253 62.300 -0.080 0.000 1.074 512 V CB 0.118 31.885 31.823 -0.094 0.000 0.958 512 V HN 1.203 nan 8.190 nan 0.000 0.481 513 T N 2.430 116.963 114.554 -0.035 0.000 2.881 513 T HA 0.583 4.932 4.350 -0.001 0.000 0.278 513 T C 1.363 176.053 174.700 -0.017 0.000 0.982 513 T CA -0.125 61.963 62.100 -0.020 0.000 0.989 513 T CB 1.663 70.523 68.868 -0.013 0.000 1.058 513 T HN 0.716 nan 8.240 nan 0.000 0.529 514 A N 0.012 122.826 122.820 -0.010 0.000 1.948 514 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 514 A C 2.272 179.852 177.584 -0.006 0.000 1.177 514 A CA 2.116 54.148 52.037 -0.007 0.000 0.636 514 A CB -1.154 17.845 19.000 -0.003 0.000 0.815 514 A HN 1.024 nan 8.150 nan 0.000 0.449 515 E N -0.486 119.711 120.200 -0.004 0.000 2.047 515 E HA -0.209 4.140 4.350 -0.001 0.000 0.191 515 E C 1.363 177.963 176.600 -0.000 0.000 0.987 515 E CA 1.106 57.505 56.400 -0.000 0.000 0.799 515 E CB -0.140 29.561 29.700 0.002 0.000 0.752 515 E HN 0.534 nan 8.360 nan 0.000 0.449 516 D N 0.729 121.126 120.400 -0.006 0.000 2.116 516 D HA -0.202 4.437 4.640 -0.001 0.000 0.193 516 D C 1.603 177.896 176.300 -0.010 0.000 0.998 516 D CA 1.563 55.559 54.000 -0.008 0.000 0.836 516 D CB -0.414 40.373 40.800 -0.022 0.000 0.951 516 D HN 0.261 nan 8.370 nan 0.000 0.449 517 D N -0.348 120.042 120.400 -0.018 0.000 2.123 517 D HA -0.019 4.621 4.640 -0.001 0.000 0.200 517 D C 1.946 178.240 176.300 -0.011 0.000 0.976 517 D CA 1.390 55.377 54.000 -0.023 0.000 0.831 517 D CB 0.011 40.795 40.800 -0.027 0.000 0.974 517 D HN 0.109 nan 8.370 nan 0.000 0.469 518 A N 0.070 122.888 122.820 -0.003 0.000 1.902 518 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 518 A C 2.121 179.713 177.584 0.013 0.000 1.181 518 A CA 1.454 53.493 52.037 0.004 0.000 0.623 518 A CB -0.688 18.314 19.000 0.004 0.000 0.818 518 A HN 0.292 nan 8.150 nan 0.000 0.443 519 Q N -1.717 118.093 119.800 0.017 0.000 2.170 519 Q HA -0.179 4.160 4.340 -0.001 0.000 0.203 519 Q C 1.989 178.020 176.000 0.052 0.000 0.976 519 Q CA 1.582 57.404 55.803 0.031 0.000 0.858 519 Q CB -0.284 28.473 28.738 0.032 0.000 0.907 519 Q HN 0.639 nan 8.270 nan 0.000 0.433 520 M N 0.874 120.498 119.600 0.041 0.000 2.267 520 M HA -0.177 4.302 4.480 -0.001 0.000 0.263 520 M C 1.241 177.580 176.300 0.065 0.000 1.063 520 M CA 1.473 56.803 55.300 0.050 0.000 1.090 520 M CB 0.077 32.663 32.600 -0.022 0.000 1.392 520 M HN -0.001 nan 8.290 nan 0.000 0.422 521 E N -0.397 119.828 120.200 0.041 0.000 2.267 521 E HA -0.113 4.237 4.350 -0.001 0.000 0.197 521 E C 1.203 177.839 176.600 0.059 0.000 0.998 521 E CA 1.042 57.466 56.400 0.040 0.000 0.830 521 E CB -0.223 29.492 29.700 0.024 0.000 0.751 521 E HN 0.568 nan 8.360 nan 0.000 0.491 522 L N -0.438 120.828 121.223 0.072 0.000 2.728 522 L HA 0.179 4.519 4.340 -0.001 0.000 0.238 522 L C 0.081 176.997 176.870 0.077 0.000 1.143 522 L CA -0.574 54.301 54.840 0.058 0.000 0.937 522 L CB 0.030 42.110 42.059 0.034 0.000 1.225 522 L HN 0.092 nan 8.230 nan 0.000 0.507 523 Y N 1.406 121.696 120.300 -0.017 0.000 2.544 523 Y HA -0.039 4.510 4.550 -0.001 0.000 0.330 523 Y C 1.152 177.032 175.900 -0.033 0.000 1.136 523 Y CA 0.565 58.648 58.100 -0.029 0.000 1.417 523 Y CB 0.701 39.148 38.460 -0.022 0.000 1.229 523 Y HN -0.100 nan 8.280 nan 0.000 0.532 524 K N 3.851 124.010 120.400 -0.402 0.000 2.344 524 K HA 0.392 4.712 4.320 -0.001 0.000 0.200 524 K C 0.275 176.657 176.600 -0.363 0.000 1.132 524 K CA 0.744 56.877 56.287 -0.256 0.000 0.935 524 K CB 0.279 32.665 32.500 -0.190 0.000 1.089 524 K HN 1.000 nan 8.250 nan 0.000 0.496 525 G N -0.228 108.104 108.800 -0.780 0.000 2.758 525 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.686 525 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.686 525 G C -0.083 174.541 174.900 -0.460 0.000 1.389 525 G CA -0.179 44.561 45.100 -0.600 0.000 0.845 525 G HN 0.108 nan 8.290 nan 0.000 0.572 526 Y N -0.159 120.018 120.300 -0.206 0.000 2.519 526 Y HA 0.352 4.901 4.550 -0.001 0.000 0.287 526 Y C 2.313 177.851 175.900 -0.603 0.000 1.128 526 Y CA 1.264 59.095 58.100 -0.449 0.000 1.282 526 Y CB -0.055 38.018 38.460 -0.645 0.000 1.027 526 Y HN 0.462 nan 8.280 nan 0.000 0.551 527 F N -2.046 117.930 119.950 0.043 0.000 2.667 527 F HA 0.375 4.901 4.527 -0.001 0.000 0.288 527 F C 1.983 177.814 175.800 0.052 0.000 1.086 527 F CA 0.407 58.424 58.000 0.029 0.000 1.297 527 F CB 0.041 39.031 39.000 -0.017 0.000 1.059 527 F HN -0.088 nan 8.300 nan 0.000 0.624 528 G N 1.723 110.644 108.800 0.203 0.000 2.179 528 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.257 528 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.257 528 G C -0.385 174.616 174.900 0.168 0.000 1.010 528 G CA 0.554 45.745 45.100 0.151 0.000 0.736 528 G HN 0.454 nan 8.290 nan 0.000 0.513 529 D N -0.735 119.728 120.400 0.106 0.000 2.478 529 D HA 0.489 5.129 4.640 -0.001 0.000 0.263 529 D C 2.137 178.301 176.300 -0.226 0.000 1.153 529 D CA -0.652 53.229 54.000 -0.199 0.000 1.038 529 D CB 0.118 40.722 40.800 -0.326 0.000 1.120 529 D HN 0.584 nan 8.370 nan 0.000 0.564 530 I N -3.218 117.110 120.570 -0.403 0.000 2.315 530 I HA -0.206 3.964 4.170 -0.001 0.000 0.251 530 I C 1.111 177.259 176.117 0.052 0.000 1.125 530 I CA 1.069 62.257 61.300 -0.186 0.000 1.392 530 I CB -0.519 37.359 38.000 -0.204 0.000 1.065 530 I HN 0.257 nan 8.210 nan 0.000 0.424 531 W N 2.048 123.294 121.300 -0.090 0.000 2.381 531 W HA -0.082 4.578 4.660 -0.001 0.000 0.301 531 W C 2.379 178.916 176.519 0.031 0.000 1.205 531 W CA 0.680 58.000 57.345 -0.042 0.000 1.285 531 W CB -1.347 28.072 29.460 -0.069 0.000 1.133 531 W HN 0.262 nan 8.180 nan 0.000 0.521 532 D N 0.145 120.713 120.400 0.280 0.000 2.097 532 D HA -0.131 4.508 4.640 -0.001 0.000 0.195 532 D C 2.272 178.707 176.300 0.225 0.000 0.989 532 D CA 1.369 55.536 54.000 0.279 0.000 0.827 532 D CB -0.611 40.330 40.800 0.235 0.000 0.966 532 D HN 0.097 nan 8.370 nan 0.000 0.456 533 I N 0.764 121.418 120.570 0.141 0.000 2.163 533 I HA -0.243 3.926 4.170 -0.001 0.000 0.243 533 I C 2.388 178.550 176.117 0.075 0.000 1.085 533 I CA 0.586 61.944 61.300 0.096 0.000 1.347 533 I CB -0.069 37.958 38.000 0.045 0.000 1.044 533 I HN 0.024 nan 8.210 nan 0.000 0.408 534 I N 0.270 120.885 120.570 0.075 0.000 2.226 534 I HA -0.264 3.905 4.170 -0.001 0.000 0.245 534 I C 2.510 178.635 176.117 0.013 0.000 1.100 534 I CA 1.577 62.904 61.300 0.044 0.000 1.374 534 I CB -0.682 37.353 38.000 0.057 0.000 1.057 534 I HN 0.229 nan 8.210 nan 0.000 0.413 535 L N 1.171 122.410 121.223 0.027 0.000 2.042 535 L HA -0.244 4.095 4.340 -0.001 0.000 0.210 535 L C 2.583 179.346 176.870 -0.178 0.000 1.076 535 L CA 1.911 56.718 54.840 -0.054 0.000 0.749 535 L CB -0.719 41.324 42.059 -0.026 0.000 0.893 535 L HN 0.137 nan 8.230 nan 0.000 0.432 536 K N -0.427 119.872 120.400 -0.168 0.000 2.032 536 K HA -0.259 4.060 4.320 -0.001 0.000 0.209 536 K C 2.112 178.651 176.600 -0.103 0.000 1.048 536 K CA 2.025 58.205 56.287 -0.178 0.000 0.927 536 K CB -0.055 32.458 32.500 0.022 0.000 0.712 536 K HN 0.338 nan 8.250 nan 0.000 0.441 537 K N -0.154 120.215 120.400 -0.052 0.000 2.062 537 K HA -0.039 4.280 4.320 -0.001 0.000 0.205 537 K C 2.112 178.675 176.600 -0.061 0.000 1.051 537 K CA 1.069 57.331 56.287 -0.042 0.000 0.941 537 K CB -0.115 32.373 32.500 -0.021 0.000 0.719 537 K HN 0.181 nan 8.250 nan 0.000 0.440 538 A N 0.987 123.765 122.820 -0.069 0.000 2.019 538 A HA -0.101 4.218 4.320 -0.001 0.000 0.219 538 A C 1.886 179.404 177.584 -0.110 0.000 1.164 538 A CA 1.332 53.322 52.037 -0.079 0.000 0.644 538 A CB -0.412 18.547 19.000 -0.069 0.000 0.805 538 A HN 0.213 nan 8.150 nan 0.000 0.449 539 M N -0.771 118.749 119.600 -0.133 0.000 2.428 539 M HA 0.110 4.590 4.480 -0.001 0.000 0.239 539 M C 0.720 176.947 176.300 -0.122 0.000 1.121 539 M CA 0.085 55.293 55.300 -0.154 0.000 1.019 539 M CB 0.074 32.559 32.600 -0.193 0.000 1.485 539 M HN 0.198 nan 8.290 nan 0.000 0.484 540 K N 1.872 122.216 120.400 -0.093 0.000 2.380 540 K HA -0.063 4.256 4.320 -0.001 0.000 0.267 540 K C 0.342 176.905 176.600 -0.062 0.000 0.990 540 K CA 0.209 56.456 56.287 -0.066 0.000 0.946 540 K CB 0.353 32.824 32.500 -0.047 0.000 0.937 540 K HN 0.081 nan 8.250 nan 0.000 0.491 541 N N 1.133 119.804 118.700 -0.047 0.000 2.708 541 N HA -0.152 4.588 4.740 -0.001 0.000 0.255 541 N C -1.118 174.363 175.510 -0.048 0.000 1.046 541 N CA 1.007 54.034 53.050 -0.038 0.000 0.715 541 N CB -1.260 37.209 38.487 -0.030 0.000 0.895 541 N HN 0.510 nan 8.380 nan 0.000 0.545 542 S N -1.171 114.493 115.700 -0.060 0.000 2.701 542 S HA 0.216 4.685 4.470 -0.001 0.000 0.242 542 S C 0.270 174.828 174.600 -0.071 0.000 1.025 542 S CA -0.232 57.919 58.200 -0.081 0.000 1.016 542 S CB 0.859 63.988 63.200 -0.118 0.000 0.977 542 S HN 0.285 nan 8.310 nan 0.000 0.546 543 V N 2.158 122.046 119.914 -0.043 0.000 2.617 543 V HA 0.278 4.398 4.120 -0.001 0.000 0.304 543 V C 1.543 177.625 176.094 -0.020 0.000 1.040 543 V CA 1.436 63.717 62.300 -0.032 0.000 1.149 543 V CB 0.044 31.859 31.823 -0.014 0.000 0.914 543 V HN 0.654 nan 8.190 nan 0.000 0.487 544 G N 3.733 112.515 108.800 -0.030 0.000 2.199 544 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.254 544 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.254 544 G C 0.034 174.865 174.900 -0.115 0.000 0.982 544 G CA 0.085 45.181 45.100 -0.007 0.000 0.632 544 G HN 0.568 nan 8.290 nan 0.000 0.529 545 L N 2.628 123.731 121.223 -0.200 0.000 2.371 545 L HA 0.426 4.765 4.340 -0.001 0.000 0.272 545 L C -1.497 175.074 176.870 -0.498 0.000 1.124 545 L CA -2.124 52.465 54.840 -0.417 0.000 0.816 545 L CB 0.977 42.856 42.059 -0.300 0.000 1.129 545 L HN -0.033 nan 8.230 nan 0.000 0.448 546 P HA 0.133 nan 4.420 nan 0.000 0.271 546 P C -0.995 176.136 177.300 -0.282 0.000 1.218 546 P CA -0.149 62.644 63.100 -0.512 0.000 0.780 546 P CB 1.390 32.727 31.700 -0.606 0.000 0.901 547 V N 1.935 121.742 119.914 -0.178 0.000 2.638 547 V HA 0.653 4.772 4.120 -0.001 0.000 0.306 547 V C 0.282 176.329 176.094 -0.079 0.000 1.052 547 V CA -0.724 61.511 62.300 -0.108 0.000 0.885 547 V CB 1.714 33.476 31.823 -0.102 0.000 0.999 547 V HN 0.793 nan 8.190 nan 0.000 0.424 548 A N 3.822 126.610 122.820 -0.054 0.000 2.309 548 A HA 1.011 5.331 4.320 -0.001 0.000 0.317 548 A C -0.409 177.126 177.584 -0.082 0.000 1.134 548 A CA -0.490 51.511 52.037 -0.060 0.000 0.866 548 A CB 1.925 20.901 19.000 -0.040 0.000 1.329 548 A HN 1.529 nan 8.150 nan 0.000 0.477 549 V N -1.994 117.860 119.914 -0.100 0.000 2.960 549 V HA 0.739 4.858 4.120 -0.001 0.000 0.315 549 V C -0.543 175.474 176.094 -0.129 0.000 1.087 549 V CA -0.734 61.493 62.300 -0.121 0.000 0.982 549 V CB 1.398 33.144 31.823 -0.129 0.000 1.039 549 V HN 1.006 nan 8.190 nan 0.000 0.437 550 Q N 0.760 120.485 119.800 -0.124 0.000 2.282 550 Q HA 0.608 4.947 4.340 -0.001 0.000 0.260 550 Q C -1.479 174.456 176.000 -0.109 0.000 0.964 550 Q CA -0.515 55.222 55.803 -0.110 0.000 0.880 550 Q CB 1.766 30.463 28.738 -0.069 0.000 1.286 550 Q HN 0.999 nan 8.270 nan 0.000 0.445 551 C N 3.461 122.696 119.300 -0.109 0.000 2.379 551 C HA 0.770 5.229 4.460 -0.001 0.000 0.323 551 C C -0.508 174.514 174.990 0.053 0.000 1.262 551 C CA -0.685 58.319 59.018 -0.022 0.000 1.581 551 C CB 0.739 28.345 27.740 -0.223 0.000 2.221 551 C HN 0.634 nan 8.230 nan 0.000 0.497 552 V N 2.350 122.353 119.914 0.148 0.000 2.823 552 V HA 0.956 5.075 4.120 -0.001 0.000 0.312 552 V C 0.160 176.420 176.094 0.277 0.000 1.072 552 V CA -0.186 62.169 62.300 0.090 0.000 0.937 552 V CB 1.819 33.569 31.823 -0.122 0.000 1.013 552 V HN 1.137 nan 8.190 nan 0.000 0.430 553 A N 2.942 125.868 122.820 0.176 0.000 2.524 553 A HA 0.914 5.233 4.320 -0.001 0.000 0.286 553 A C -0.962 176.373 177.584 -0.415 0.000 1.203 553 A CA -0.799 51.290 52.037 0.086 0.000 0.736 553 A CB 1.121 20.151 19.000 0.050 0.000 1.322 553 A HN 0.718 nan 8.150 nan 0.000 0.424 554 L N 0.743 121.532 121.223 -0.724 0.000 2.472 554 L HA 0.291 4.630 4.340 -0.001 0.000 0.260 554 L C -2.039 174.382 176.870 -0.749 0.000 1.209 554 L CA -1.697 52.428 54.840 -1.193 0.000 0.817 554 L CB 0.277 41.748 42.059 -0.981 0.000 1.106 554 L HN 0.388 nan 8.230 nan 0.000 0.479 555 P HA -0.127 nan 4.420 nan 0.000 0.264 555 P C -0.778 176.309 177.300 -0.355 0.000 1.183 555 P CA 0.458 63.211 63.100 -0.578 0.000 0.763 555 P CB 0.079 31.475 31.700 -0.505 0.000 0.807 556 W N 0.195 121.431 121.300 -0.107 0.000 2.589 556 W HA -0.216 4.443 4.660 -0.001 0.000 0.272 556 W C 0.478 176.945 176.519 -0.086 0.000 1.060 556 W CA 0.228 57.527 57.345 -0.077 0.000 0.533 556 W CB -2.489 26.924 29.460 -0.079 0.000 2.084 556 W HN 0.464 nan 8.180 nan 0.000 1.371 557 Q N 0.354 120.162 119.800 0.014 0.000 2.399 557 Q HA 0.091 4.430 4.340 -0.001 0.000 0.307 557 Q C 1.133 177.139 176.000 0.011 0.000 0.933 557 Q CA -0.000 55.799 55.803 -0.006 0.000 0.995 557 Q CB 0.260 28.959 28.738 -0.065 0.000 1.191 557 Q HN 0.257 nan 8.270 nan 0.000 0.426 558 E N 1.054 121.277 120.200 0.038 0.000 2.085 558 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 558 E C 1.220 177.862 176.600 0.070 0.000 0.994 558 E CA 1.364 57.802 56.400 0.063 0.000 0.801 558 E CB 0.229 29.994 29.700 0.108 0.000 0.743 558 E HN 0.384 nan 8.360 nan 0.000 0.453 559 E N -0.033 120.157 120.200 -0.017 0.000 2.072 559 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 559 E C 1.871 178.538 176.600 0.111 0.000 0.985 559 E CA 0.651 57.014 56.400 -0.061 0.000 0.801 559 E CB -0.186 29.317 29.700 -0.329 0.000 0.750 559 E HN 0.139 nan 8.360 nan 0.000 0.452 560 L N 0.366 121.630 121.223 0.069 0.000 2.056 560 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 560 L C 2.233 179.196 176.870 0.156 0.000 1.078 560 L CA 1.583 56.479 54.840 0.093 0.000 0.749 560 L CB -0.837 41.251 42.059 0.047 0.000 0.901 560 L HN 0.328 nan 8.230 nan 0.000 0.433 561 C N -0.451 118.937 119.300 0.145 0.000 2.398 561 C HA -0.200 4.260 4.460 -0.001 0.000 0.276 561 C C 2.774 177.886 174.990 0.204 0.000 1.222 561 C CA 1.347 60.477 59.018 0.187 0.000 1.746 561 C CB -1.137 26.674 27.740 0.119 0.000 2.039 561 C HN 0.625 nan 8.230 nan 0.000 0.470 562 L N 0.648 121.999 121.223 0.213 0.000 2.083 562 L HA -0.104 4.236 4.340 -0.001 0.000 0.209 562 L C 3.054 180.154 176.870 0.382 0.000 1.083 562 L CA 1.582 56.589 54.840 0.279 0.000 0.752 562 L CB -0.817 41.415 42.059 0.290 0.000 0.899 562 L HN 0.387 nan 8.230 nan 0.000 0.433 563 R N 0.403 121.120 120.500 0.361 0.000 2.091 563 R HA -0.248 4.092 4.340 -0.001 0.000 0.238 563 R C 2.273 178.674 176.300 0.169 0.000 1.136 563 R CA 1.944 58.140 56.100 0.160 0.000 0.959 563 R CB -0.734 29.621 30.300 0.091 0.000 0.856 563 R HN 0.387 nan 8.270 nan 0.000 0.437 564 F N 0.669 120.631 119.950 0.020 0.000 2.128 564 F HA -0.149 4.377 4.527 -0.001 0.000 0.295 564 F C 2.353 178.139 175.800 -0.023 0.000 1.100 564 F CA 1.139 59.116 58.000 -0.038 0.000 1.260 564 F CB -0.066 38.906 39.000 -0.045 0.000 1.009 564 F HN -0.054 nan 8.300 nan 0.000 0.476 565 M N 0.218 119.739 119.600 -0.132 0.000 2.106 565 M HA -0.270 4.209 4.480 -0.001 0.000 0.259 565 M C 2.306 178.550 176.300 -0.094 0.000 1.068 565 M CA 1.922 57.099 55.300 -0.206 0.000 1.100 565 M CB -0.583 31.975 32.600 -0.070 0.000 1.351 565 M HN 0.132 nan 8.290 nan 0.000 0.404 566 R N 0.394 120.909 120.500 0.025 0.000 2.091 566 R HA -0.221 4.118 4.340 -0.001 0.000 0.238 566 R C 2.023 178.323 176.300 0.000 0.000 1.136 566 R CA 1.998 58.120 56.100 0.037 0.000 0.959 566 R CB -0.126 30.204 30.300 0.050 0.000 0.856 566 R HN 0.243 nan 8.270 nan 0.000 0.437 567 E N -0.136 120.068 120.200 0.008 0.000 2.058 567 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 567 E C 1.852 178.442 176.600 -0.018 0.000 0.997 567 E CA 1.734 58.153 56.400 0.032 0.000 0.801 567 E CB -0.170 29.587 29.700 0.096 0.000 0.746 567 E HN 0.184 nan 8.360 nan 0.000 0.450 568 V N 1.034 120.873 119.914 -0.124 0.000 2.332 568 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 568 V C 2.456 178.496 176.094 -0.089 0.000 1.055 568 V CA 2.328 64.532 62.300 -0.160 0.000 1.038 568 V CB -0.624 30.996 31.823 -0.339 0.000 0.651 568 V HN 0.431 nan 8.190 nan 0.000 0.450 569 E N -0.391 119.766 120.200 -0.071 0.000 2.072 569 E HA -0.264 4.085 4.350 -0.001 0.000 0.191 569 E C 2.272 178.867 176.600 -0.009 0.000 0.985 569 E CA 1.348 57.728 56.400 -0.032 0.000 0.801 569 E CB -0.091 29.601 29.700 -0.013 0.000 0.750 569 E HN 0.675 nan 8.360 nan 0.000 0.452 570 Q N -0.029 119.770 119.800 -0.001 0.000 2.124 570 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 570 Q C 2.330 178.337 176.000 0.011 0.000 0.977 570 Q CA 1.222 57.031 55.803 0.011 0.000 0.850 570 Q CB 0.086 28.836 28.738 0.020 0.000 0.901 570 Q HN 0.391 nan 8.270 nan 0.000 0.429 571 L N -0.815 120.412 121.223 0.008 0.000 2.209 571 L HA -0.018 4.322 4.340 -0.001 0.000 0.207 571 L C 1.967 178.836 176.870 -0.001 0.000 1.094 571 L CA 0.386 55.232 54.840 0.011 0.000 0.790 571 L CB -0.025 42.047 42.059 0.021 0.000 0.932 571 L HN 0.278 nan 8.230 nan 0.000 0.447 572 M N -1.001 118.592 119.600 -0.013 0.000 2.414 572 M HA 0.128 4.607 4.480 -0.001 0.000 0.251 572 M C 0.547 176.841 176.300 -0.009 0.000 1.116 572 M CA 0.628 55.918 55.300 -0.018 0.000 1.056 572 M CB -0.091 32.487 32.600 -0.036 0.000 1.388 572 M HN 0.199 nan 8.290 nan 0.000 0.487 573 T N -0.458 114.094 114.554 -0.003 0.000 3.446 573 T HA 0.446 4.795 4.350 -0.001 0.000 0.289 573 T C -2.493 172.214 174.700 0.012 0.000 1.203 573 T CA -1.087 61.018 62.100 0.008 0.000 1.645 573 T CB 0.861 69.736 68.868 0.012 0.000 0.841 573 T HN -0.002 nan 8.240 nan 0.000 0.617 574 P HA 0.000 nan 4.420 nan 0.000 0.216 574 P CA 0.000 63.108 63.100 0.013 0.000 0.800 574 P CB 0.000 31.707 31.700 0.011 0.000 0.726