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 3lj7_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 MTPQKQP 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 0.000 174.652 174.700 -0.080 0.000 1.109 32 T CA 0.000 62.062 62.100 -0.063 0.000 1.349 32 T CB 0.000 68.844 68.868 -0.041 0.000 0.612 33 G N 1.035 109.788 108.800 -0.078 0.000 2.483 33 G HA2 0.521 4.484 3.960 0.004 0.000 0.248 33 G HA3 0.521 4.484 3.960 0.004 0.000 0.248 33 G C 0.341 175.157 174.900 -0.140 0.000 1.248 33 G CA -0.566 44.484 45.100 -0.083 0.000 0.838 33 G HN 0.271 nan 8.290 nan 0.000 0.566 34 R N 0.732 121.143 120.500 -0.149 0.000 2.600 34 R HA 0.113 4.456 4.340 0.004 0.000 0.392 34 R C 1.441 177.656 176.300 -0.141 0.000 1.032 34 R CA -0.354 55.589 56.100 -0.261 0.000 1.139 34 R CB 0.758 30.819 30.300 -0.399 0.000 1.400 34 R HN 0.578 nan 8.270 nan 0.000 0.566 35 Q N 1.543 121.298 119.800 -0.076 0.000 2.083 35 Q HA -0.040 4.303 4.340 0.004 0.000 0.198 35 Q C 1.914 177.896 176.000 -0.031 0.000 0.969 35 Q CA 1.646 57.431 55.803 -0.030 0.000 0.838 35 Q CB 0.149 28.875 28.738 -0.020 0.000 0.900 35 Q HN 0.123 nan 8.270 nan 0.000 0.436 36 K N -0.616 119.752 120.400 -0.052 0.000 2.032 36 K HA -0.130 4.192 4.320 0.004 0.000 0.209 36 K C 1.861 178.435 176.600 -0.044 0.000 1.048 36 K CA 1.387 57.647 56.287 -0.046 0.000 0.927 36 K CB -0.360 32.107 32.500 -0.055 0.000 0.712 36 K HN 0.224 nan 8.250 nan 0.000 0.441 37 A N 1.191 123.962 122.820 -0.080 0.000 1.908 37 A HA -0.196 4.127 4.320 0.004 0.000 0.218 37 A C 2.097 179.726 177.584 0.074 0.000 1.181 37 A CA 1.691 53.696 52.037 -0.053 0.000 0.627 37 A CB -0.506 18.355 19.000 -0.231 0.000 0.818 37 A HN 0.341 nan 8.150 nan 0.000 0.445 38 R N -1.121 119.439 120.500 0.099 0.000 2.075 38 R HA -0.079 4.264 4.340 0.004 0.000 0.232 38 R C 2.465 178.798 176.300 0.054 0.000 1.126 38 R CA 1.066 57.246 56.100 0.134 0.000 0.963 38 R CB -0.678 29.698 30.300 0.127 0.000 0.858 38 R HN 0.536 nan 8.270 nan 0.000 0.435 39 G N 0.830 109.645 108.800 0.026 0.000 2.440 39 G HA2 -0.306 3.656 3.960 0.004 0.000 0.218 39 G HA3 -0.306 3.656 3.960 0.004 0.000 0.218 39 G C 1.541 176.440 174.900 -0.001 0.000 1.154 39 G CA 0.936 46.041 45.100 0.009 0.000 0.767 39 G HN 0.423 nan 8.290 nan 0.000 0.552 40 A N 1.123 123.937 122.820 -0.010 0.000 1.902 40 A HA 0.281 4.604 4.320 0.004 0.000 0.217 40 A C 2.835 180.382 177.584 -0.061 0.000 1.181 40 A CA 2.257 54.276 52.037 -0.031 0.000 0.623 40 A CB -0.808 18.168 19.000 -0.041 0.000 0.818 40 A HN 0.819 nan 8.150 nan 0.000 0.443 41 A N -0.889 121.902 122.820 -0.049 0.000 1.902 41 A HA -0.099 4.224 4.320 0.004 0.000 0.217 41 A C 2.311 179.854 177.584 -0.068 0.000 1.181 41 A CA 2.350 54.333 52.037 -0.089 0.000 0.623 41 A CB -1.317 17.659 19.000 -0.040 0.000 0.818 41 A HN 0.437 nan 8.150 nan 0.000 0.443 42 T N -0.196 114.343 114.554 -0.024 0.000 2.708 42 T HA -0.159 4.194 4.350 0.004 0.000 0.266 42 T C 2.065 176.765 174.700 0.001 0.000 1.037 42 T CA 1.681 63.777 62.100 -0.007 0.000 1.146 42 T CB -0.251 68.621 68.868 0.006 0.000 0.865 42 T HN 0.540 nan 8.240 nan 0.000 0.435 43 R N 0.956 121.455 120.500 -0.001 0.000 2.081 43 R HA 0.075 4.417 4.340 0.004 0.000 0.235 43 R C 2.827 179.148 176.300 0.035 0.000 1.131 43 R CA 1.245 57.356 56.100 0.017 0.000 0.960 43 R CB -0.447 29.862 30.300 0.015 0.000 0.856 43 R HN 0.361 nan 8.270 nan 0.000 0.436 44 A N 1.247 124.059 122.820 -0.012 0.000 1.898 44 A HA -0.135 4.188 4.320 0.004 0.000 0.216 44 A C 2.072 179.729 177.584 0.121 0.000 1.181 44 A CA 1.061 53.103 52.037 0.009 0.000 0.620 44 A CB -0.307 18.465 19.000 -0.379 0.000 0.819 44 A HN 0.194 nan 8.150 nan 0.000 0.442 45 R N -1.044 119.471 120.500 0.025 0.000 2.096 45 R HA -0.174 4.169 4.340 0.004 0.000 0.235 45 R C 2.452 178.820 176.300 0.113 0.000 1.127 45 R CA 1.611 57.765 56.100 0.091 0.000 0.968 45 R CB -0.237 30.082 30.300 0.031 0.000 0.861 45 R HN 0.623 nan 8.270 nan 0.000 0.440 46 Q N 1.304 121.155 119.800 0.085 0.000 2.079 46 Q HA -0.109 4.233 4.340 0.004 0.000 0.200 46 Q C 1.595 177.661 176.000 0.110 0.000 0.974 46 Q CA 1.679 57.532 55.803 0.084 0.000 0.840 46 Q CB 0.099 28.873 28.738 0.060 0.000 0.898 46 Q HN 0.137 nan 8.270 nan 0.000 0.430 47 K N -0.201 120.279 120.400 0.135 0.000 2.057 47 K HA -0.187 4.136 4.320 0.004 0.000 0.206 47 K C 2.135 178.843 176.600 0.179 0.000 1.050 47 K CA 1.434 57.813 56.287 0.152 0.000 0.935 47 K CB -0.105 32.497 32.500 0.170 0.000 0.715 47 K HN 0.402 nan 8.250 nan 0.000 0.439 48 Q N 1.131 121.065 119.800 0.223 0.000 2.020 48 Q HA -0.195 4.147 4.340 0.004 0.000 0.202 48 Q C 2.255 178.345 176.000 0.150 0.000 0.982 48 Q CA 1.352 57.269 55.803 0.190 0.000 0.838 48 Q CB -0.005 28.887 28.738 0.256 0.000 0.899 48 Q HN 0.169 nan 8.270 nan 0.000 0.423 49 R N -0.295 120.288 120.500 0.139 0.000 2.096 49 R HA -0.190 4.153 4.340 0.004 0.000 0.240 49 R C 2.145 178.521 176.300 0.128 0.000 1.139 49 R CA 1.530 57.701 56.100 0.119 0.000 0.952 49 R CB -0.369 29.988 30.300 0.097 0.000 0.854 49 R HN 0.356 nan 8.270 nan 0.000 0.436 50 A N -0.331 122.563 122.820 0.124 0.000 1.930 50 A HA -0.107 4.216 4.320 0.004 0.000 0.217 50 A C 2.205 179.878 177.584 0.148 0.000 1.175 50 A CA 1.725 53.835 52.037 0.122 0.000 0.627 50 A CB -0.446 18.619 19.000 0.109 0.000 0.815 50 A HN 0.398 nan 8.150 nan 0.000 0.443 51 S N -0.190 115.614 115.700 0.174 0.000 2.356 51 S HA -0.092 4.381 4.470 0.004 0.000 0.223 51 S C 1.842 176.545 174.600 0.171 0.000 1.032 51 S CA 1.483 59.818 58.200 0.224 0.000 1.005 51 S CB -0.439 62.906 63.200 0.241 0.000 0.867 51 S HN 0.533 nan 8.310 nan 0.000 0.449 52 L N 1.007 122.338 121.223 0.180 0.000 2.083 52 L HA -0.120 4.223 4.340 0.004 0.000 0.209 52 L C 2.654 179.683 176.870 0.264 0.000 1.083 52 L CA 1.362 56.363 54.840 0.268 0.000 0.752 52 L CB -0.557 41.655 42.059 0.255 0.000 0.899 52 L HN 0.280 nan 8.230 nan 0.000 0.433 53 E N 0.343 120.651 120.200 0.180 0.000 2.072 53 E HA -0.169 4.184 4.350 0.004 0.000 0.191 53 E C 2.015 178.619 176.600 0.006 0.000 0.985 53 E CA 1.966 58.428 56.400 0.104 0.000 0.801 53 E CB -0.227 29.532 29.700 0.098 0.000 0.750 53 E HN 0.275 nan 8.360 nan 0.000 0.452 54 T N 0.586 115.163 114.554 0.037 0.000 2.720 54 T HA -0.173 4.180 4.350 0.004 0.000 0.268 54 T C 1.885 176.515 174.700 -0.116 0.000 1.037 54 T CA 1.810 63.925 62.100 0.025 0.000 1.144 54 T CB -0.248 68.717 68.868 0.162 0.000 0.864 54 T HN 0.196 nan 8.240 nan 0.000 0.444 55 M N 0.835 120.278 119.600 -0.262 0.000 2.132 55 M HA -0.081 4.402 4.480 0.004 0.000 0.263 55 M C 2.267 178.330 176.300 -0.394 0.000 1.065 55 M CA 1.466 56.503 55.300 -0.438 0.000 1.122 55 M CB -0.342 32.040 32.600 -0.363 0.000 1.365 55 M HN 0.100 nan 8.290 nan 0.000 0.411 56 D N 0.530 120.609 120.400 -0.535 0.000 2.097 56 D HA -0.145 4.498 4.640 0.004 0.000 0.195 56 D C 1.783 177.820 176.300 -0.438 0.000 0.989 56 D CA 1.516 55.025 54.000 -0.818 0.000 0.827 56 D CB 0.119 40.355 40.800 -0.940 0.000 0.966 56 D HN 0.190 nan 8.370 nan 0.000 0.456 57 K N -0.043 120.202 120.400 -0.259 0.000 2.026 57 K HA -0.052 4.271 4.320 0.004 0.000 0.208 57 K C 2.210 178.725 176.600 -0.141 0.000 1.048 57 K CA 1.234 57.425 56.287 -0.160 0.000 0.929 57 K CB -0.221 32.230 32.500 -0.082 0.000 0.713 57 K HN 0.126 nan 8.250 nan 0.000 0.439 58 A N 0.955 123.711 122.820 -0.107 0.000 1.883 58 A HA -0.152 4.171 4.320 0.004 0.000 0.217 58 A C 2.383 179.852 177.584 -0.192 0.000 1.186 58 A CA 1.665 53.653 52.037 -0.081 0.000 0.624 58 A CB -0.802 18.288 19.000 0.149 0.000 0.822 58 A HN 0.081 nan 8.150 nan 0.000 0.444 59 V N -0.036 119.791 119.914 -0.145 0.000 2.295 59 V HA -0.281 3.842 4.120 0.004 0.000 0.246 59 V C 2.759 178.784 176.094 -0.115 0.000 1.049 59 V CA 2.112 64.344 62.300 -0.114 0.000 1.024 59 V CB -0.831 30.887 31.823 -0.174 0.000 0.648 59 V HN 0.528 nan 8.190 nan 0.000 0.447 60 Q N -0.162 119.531 119.800 -0.178 0.000 2.096 60 Q HA -0.210 4.132 4.340 0.004 0.000 0.204 60 Q C 2.325 178.247 176.000 -0.129 0.000 0.982 60 Q CA 1.835 57.549 55.803 -0.148 0.000 0.850 60 Q CB -0.590 28.049 28.738 -0.163 0.000 0.901 60 Q HN 0.643 nan 8.270 nan 0.000 0.422 61 R N -0.422 119.992 120.500 -0.144 0.000 2.073 61 R HA -0.147 4.196 4.340 0.004 0.000 0.234 61 R C 2.183 178.376 176.300 -0.178 0.000 1.134 61 R CA 1.323 57.334 56.100 -0.149 0.000 0.952 61 R CB -0.412 29.799 30.300 -0.148 0.000 0.850 61 R HN 0.245 nan 8.270 nan 0.000 0.433 62 F N 1.213 120.936 119.950 -0.379 0.000 2.146 62 F HA -0.083 4.446 4.527 0.005 0.000 0.298 62 F C 2.243 177.931 175.800 -0.187 0.000 1.096 62 F CA 1.463 59.238 58.000 -0.376 0.000 1.275 62 F CB -0.061 38.569 39.000 -0.616 0.000 1.008 62 F HN -0.072 nan 8.300 nan 0.000 0.480 63 R N 0.221 120.654 120.500 -0.111 0.000 2.073 63 R HA -0.143 4.200 4.340 0.004 0.000 0.234 63 R C 2.288 178.464 176.300 -0.207 0.000 1.134 63 R CA 1.847 57.866 56.100 -0.135 0.000 0.952 63 R CB -0.747 29.535 30.300 -0.030 0.000 0.850 63 R HN 0.348 nan 8.270 nan 0.000 0.433 64 L N 0.609 121.728 121.223 -0.173 0.000 2.081 64 L HA -0.268 4.075 4.340 0.004 0.000 0.212 64 L C 2.385 179.143 176.870 -0.187 0.000 1.080 64 L CA 1.575 56.324 54.840 -0.151 0.000 0.754 64 L CB -0.246 41.740 42.059 -0.122 0.000 0.893 64 L HN 0.285 nan 8.230 nan 0.000 0.433 65 Q N -0.814 118.825 119.800 -0.268 0.000 2.424 65 Q HA 0.058 4.400 4.340 0.004 0.000 0.204 65 Q C -0.028 175.763 176.000 -0.349 0.000 0.933 65 Q CA 0.309 55.946 55.803 -0.276 0.000 0.929 65 Q CB 0.436 29.017 28.738 -0.262 0.000 1.037 65 Q HN 0.525 nan 8.270 nan 0.000 0.511 66 N N 0.759 119.171 118.700 -0.480 0.000 2.765 66 N HA 0.141 4.883 4.740 0.004 0.000 0.277 66 N C -2.339 173.025 175.510 -0.242 0.000 1.750 66 N CA -0.734 52.069 53.050 -0.412 0.000 0.827 66 N CB 1.394 39.463 38.487 -0.697 0.000 1.200 66 N HN 0.124 nan 8.380 nan 0.000 0.494 67 P HA 0.061 nan 4.420 nan 0.000 0.236 67 P C 0.075 177.340 177.300 -0.059 0.000 1.177 67 P CA 0.853 63.895 63.100 -0.096 0.000 0.773 67 P CB 0.499 32.149 31.700 -0.085 0.000 0.878 68 D N -0.402 119.964 120.400 -0.057 0.000 2.358 68 D HA 0.102 4.745 4.640 0.004 0.000 0.224 68 D C 0.201 176.494 176.300 -0.012 0.000 1.123 68 D CA -0.166 53.816 54.000 -0.031 0.000 0.833 68 D CB -0.313 40.470 40.800 -0.029 0.000 0.946 68 D HN 0.094 nan 8.370 nan 0.000 0.505 69 L N 1.444 122.665 121.223 -0.004 0.000 2.313 69 L HA 0.199 4.542 4.340 0.004 0.000 0.282 69 L C -0.045 176.842 176.870 0.028 0.000 1.092 69 L CA -0.348 54.513 54.840 0.035 0.000 0.831 69 L CB 0.960 43.076 42.059 0.095 0.000 1.159 69 L HN -0.210 nan 8.230 nan 0.000 0.442 70 D N 2.165 122.579 120.400 0.023 0.000 2.470 70 D HA 0.045 4.688 4.640 0.004 0.000 0.226 70 D C 1.114 177.418 176.300 0.007 0.000 1.196 70 D CA 0.521 54.527 54.000 0.011 0.000 0.979 70 D CB 0.608 41.413 40.800 0.008 0.000 1.059 70 D HN 0.691 nan 8.370 nan 0.000 0.515 71 S N 2.617 118.318 115.700 0.003 0.000 2.406 71 S HA -0.122 4.351 4.470 0.004 0.000 0.228 71 S C 1.491 176.054 174.600 -0.062 0.000 1.020 71 S CA 0.280 58.468 58.200 -0.020 0.000 0.965 71 S CB 0.009 63.202 63.200 -0.012 0.000 0.798 71 S HN 0.387 nan 8.310 nan 0.000 0.488 72 E N 2.493 122.664 120.200 -0.048 0.000 2.051 72 E HA -0.061 4.291 4.350 0.004 0.000 0.192 72 E C 2.460 179.032 176.600 -0.047 0.000 0.991 72 E CA 1.289 57.656 56.400 -0.056 0.000 0.799 72 E CB -0.833 28.845 29.700 -0.037 0.000 0.748 72 E HN 0.665 nan 8.360 nan 0.000 0.449 73 A N 1.745 124.550 122.820 -0.026 0.000 1.908 73 A HA -0.152 4.170 4.320 0.004 0.000 0.218 73 A C 2.313 179.890 177.584 -0.013 0.000 1.181 73 A CA 1.330 53.360 52.037 -0.012 0.000 0.627 73 A CB -0.763 18.237 19.000 -0.001 0.000 0.818 73 A HN 0.259 nan 8.150 nan 0.000 0.445 74 L N -0.737 120.472 121.223 -0.023 0.000 2.027 74 L HA -0.089 4.254 4.340 0.004 0.000 0.206 74 L C 2.378 179.213 176.870 -0.058 0.000 1.074 74 L CA 1.303 56.131 54.840 -0.020 0.000 0.745 74 L CB -0.206 41.839 42.059 -0.022 0.000 0.898 74 L HN 0.405 nan 8.230 nan 0.000 0.433 75 L N -0.499 120.628 121.223 -0.159 0.000 2.201 75 L HA -0.161 4.182 4.340 0.004 0.000 0.212 75 L C 2.380 179.193 176.870 -0.095 0.000 1.105 75 L CA 1.663 56.331 54.840 -0.286 0.000 0.775 75 L CB -0.648 41.203 42.059 -0.346 0.000 0.913 75 L HN 0.485 nan 8.230 nan 0.000 0.440 76 T N -3.276 111.252 114.554 -0.043 0.000 3.081 76 T HA 0.151 4.503 4.350 0.004 0.000 0.250 76 T C 0.761 175.478 174.700 0.028 0.000 1.100 76 T CA -0.290 61.810 62.100 -0.001 0.000 1.038 76 T CB -0.281 68.582 68.868 -0.007 0.000 0.962 76 T HN 0.030 nan 8.240 nan 0.000 0.516 77 L N 2.989 124.234 121.223 0.036 0.000 2.584 77 L HA 0.212 4.554 4.340 0.004 0.000 0.272 77 L C -2.014 174.895 176.870 0.064 0.000 1.195 77 L CA -1.731 53.138 54.840 0.049 0.000 0.920 77 L CB -0.103 41.988 42.059 0.054 0.000 1.173 77 L HN 0.066 nan 8.230 nan 0.000 0.489 78 P HA -0.119 nan 4.420 nan 0.000 0.266 78 P C 0.566 177.894 177.300 0.046 0.000 1.193 78 P CA -0.257 62.873 63.100 0.051 0.000 0.770 78 P CB 0.582 32.308 31.700 0.044 0.000 0.836 79 L N 4.285 125.529 121.223 0.036 0.000 2.013 79 L HA -0.201 4.141 4.340 0.004 0.000 0.212 79 L C 2.040 178.917 176.870 0.012 0.000 1.073 79 L CA 1.825 56.672 54.840 0.012 0.000 0.753 79 L CB -1.506 40.544 42.059 -0.015 0.000 0.890 79 L HN 0.331 nan 8.230 nan 0.000 0.432 80 L N -0.631 120.604 121.223 0.019 0.000 2.051 80 L HA -0.310 4.033 4.340 0.004 0.000 0.214 80 L C 2.558 179.445 176.870 0.029 0.000 1.076 80 L CA 2.045 56.900 54.840 0.025 0.000 0.758 80 L CB -0.445 41.637 42.059 0.037 0.000 0.890 80 L HN 0.478 nan 8.230 nan 0.000 0.433 81 Q N -1.523 118.297 119.800 0.033 0.000 2.187 81 Q HA -0.159 4.183 4.340 0.004 0.000 0.199 81 Q C 2.171 178.192 176.000 0.035 0.000 0.957 81 Q CA 1.150 56.974 55.803 0.034 0.000 0.857 81 Q CB -0.141 28.618 28.738 0.035 0.000 0.929 81 Q HN 0.442 nan 8.270 nan 0.000 0.453 82 L N 0.137 121.381 121.223 0.036 0.000 1.994 82 L HA -0.166 4.177 4.340 0.004 0.000 0.208 82 L C 2.145 179.029 176.870 0.024 0.000 1.071 82 L CA 1.393 56.254 54.840 0.035 0.000 0.745 82 L CB -0.505 41.576 42.059 0.038 0.000 0.892 82 L HN -0.021 nan 8.230 nan 0.000 0.431 83 V N -0.151 119.773 119.914 0.016 0.000 2.282 83 V HA -0.364 3.759 4.120 0.004 0.000 0.249 83 V C 2.622 178.744 176.094 0.046 0.000 1.057 83 V CA 2.196 64.510 62.300 0.024 0.000 1.032 83 V CB -0.799 31.033 31.823 0.015 0.000 0.645 83 V HN 0.657 nan 8.190 nan 0.000 0.447 84 Q N 0.290 120.114 119.800 0.040 0.000 2.061 84 Q HA -0.261 4.082 4.340 0.004 0.000 0.204 84 Q C 2.312 178.342 176.000 0.049 0.000 0.984 84 Q CA 2.005 57.834 55.803 0.043 0.000 0.846 84 Q CB -0.131 28.629 28.738 0.036 0.000 0.902 84 Q HN 0.632 nan 8.270 nan 0.000 0.421 85 K N 0.068 120.496 120.400 0.047 0.000 2.097 85 K HA -0.076 4.246 4.320 0.004 0.000 0.205 85 K C 2.343 178.982 176.600 0.066 0.000 1.050 85 K CA 0.930 57.247 56.287 0.050 0.000 0.938 85 K CB -0.079 32.447 32.500 0.044 0.000 0.718 85 K HN 0.191 nan 8.250 nan 0.000 0.442 86 L N 0.880 122.145 121.223 0.071 0.000 2.046 86 L HA -0.226 4.117 4.340 0.004 0.000 0.208 86 L C 2.685 179.676 176.870 0.202 0.000 1.077 86 L CA 1.139 56.046 54.840 0.111 0.000 0.747 86 L CB -0.262 41.831 42.059 0.056 0.000 0.896 86 L HN 0.156 nan 8.230 nan 0.000 0.432 87 Q N -0.019 119.872 119.800 0.151 0.000 2.167 87 Q HA -0.155 4.188 4.340 0.004 0.000 0.202 87 Q C 2.244 178.282 176.000 0.063 0.000 0.970 87 Q CA 1.872 57.743 55.803 0.112 0.000 0.855 87 Q CB -0.155 28.625 28.738 0.071 0.000 0.911 87 Q HN 0.512 nan 8.270 nan 0.000 0.438 88 S N -1.900 113.836 115.700 0.061 0.000 2.562 88 S HA 0.222 4.694 4.470 0.004 0.000 0.221 88 S C 1.442 176.071 174.600 0.049 0.000 0.975 88 S CA 0.488 58.714 58.200 0.043 0.000 0.918 88 S CB -0.059 63.164 63.200 0.037 0.000 0.772 88 S HN 0.676 nan 8.310 nan 0.000 0.531 89 G N 1.164 110.009 108.800 0.076 0.000 2.159 89 G HA2 -0.333 3.629 3.960 0.004 0.000 0.256 89 G HA3 -0.333 3.629 3.960 0.004 0.000 0.256 89 G C 0.545 175.485 174.900 0.067 0.000 0.977 89 G CA 0.520 45.668 45.100 0.080 0.000 0.652 89 G HN 0.562 nan 8.290 nan 0.000 0.531 90 E N -0.723 119.513 120.200 0.060 0.000 2.072 90 E HA 0.095 4.447 4.350 0.004 0.000 0.191 90 E C 0.972 177.605 176.600 0.056 0.000 0.985 90 E CA 0.478 56.908 56.400 0.050 0.000 0.801 90 E CB -0.018 29.708 29.700 0.043 0.000 0.750 90 E HN 0.567 nan 8.360 nan 0.000 0.452 91 L N 1.465 122.724 121.223 0.060 0.000 2.307 91 L HA 0.220 4.562 4.340 0.004 0.000 0.284 91 L C 0.090 176.999 176.870 0.065 0.000 1.023 91 L CA -0.820 54.057 54.840 0.062 0.000 0.810 91 L CB 1.796 43.885 42.059 0.051 0.000 1.231 91 L HN 0.039 nan 8.230 nan 0.000 0.423 92 S N 2.094 117.838 115.700 0.074 0.000 2.601 92 S HA 0.345 4.817 4.470 0.004 0.000 0.271 92 S C -1.936 172.668 174.600 0.006 0.000 1.305 92 S CA -1.162 57.079 58.200 0.068 0.000 1.022 92 S CB 1.251 64.513 63.200 0.103 0.000 0.940 92 S HN 0.413 nan 8.310 nan 0.000 0.525 93 P HA -0.053 nan 4.420 nan 0.000 0.218 93 P C 0.977 178.191 177.300 -0.143 0.000 1.149 93 P CA 1.091 64.077 63.100 -0.190 0.000 0.817 93 P CB 0.012 31.513 31.700 -0.332 0.000 0.785 94 E N 0.092 120.258 120.200 -0.058 0.000 2.058 94 E HA -0.158 4.195 4.350 0.004 0.000 0.194 94 E C 2.226 178.781 176.600 -0.074 0.000 0.997 94 E CA 1.810 58.206 56.400 -0.006 0.000 0.801 94 E CB -1.171 28.682 29.700 0.256 0.000 0.746 94 E HN 0.167 nan 8.360 nan 0.000 0.450 95 A N 0.275 123.123 122.820 0.046 0.000 1.898 95 A HA -0.120 4.203 4.320 0.004 0.000 0.216 95 A C 2.473 180.008 177.584 -0.082 0.000 1.181 95 A CA 1.247 53.313 52.037 0.048 0.000 0.620 95 A CB -0.614 18.538 19.000 0.254 0.000 0.819 95 A HN 0.151 nan 8.150 nan 0.000 0.442 96 V N -1.233 118.656 119.914 -0.043 0.000 2.358 96 V HA -0.218 3.905 4.120 0.004 0.000 0.246 96 V C 2.233 178.287 176.094 -0.067 0.000 1.047 96 V CA 2.069 64.360 62.300 -0.014 0.000 1.035 96 V CB -0.858 30.956 31.823 -0.015 0.000 0.658 96 V HN 0.649 nan 8.190 nan 0.000 0.452 97 F N 0.415 120.149 119.950 -0.360 0.000 2.060 97 F HA -0.169 4.361 4.527 0.004 0.000 0.295 97 F C 2.070 177.547 175.800 -0.539 0.000 1.120 97 F CA 1.886 59.566 58.000 -0.533 0.000 1.205 97 F CB -0.378 38.192 39.000 -0.717 0.000 0.986 97 F HN 0.125 nan 8.300 nan 0.000 0.470 98 F N -0.040 119.692 119.950 -0.364 0.000 2.293 98 F HA -0.147 4.382 4.527 0.005 0.000 0.300 98 F C 2.392 177.922 175.800 -0.450 0.000 1.086 98 F CA 1.307 58.993 58.000 -0.523 0.000 1.375 98 F CB -0.857 37.627 39.000 -0.859 0.000 1.045 98 F HN -0.083 nan 8.300 nan 0.000 0.516 99 T N -1.153 113.257 114.554 -0.240 0.000 2.777 99 T HA -0.199 4.154 4.350 0.004 0.000 0.266 99 T C 1.539 176.093 174.700 -0.243 0.000 1.040 99 T CA 1.318 63.321 62.100 -0.161 0.000 1.141 99 T CB -0.451 68.341 68.868 -0.125 0.000 0.868 99 T HN 0.197 nan 8.240 nan 0.000 0.444 100 Y N 0.594 120.701 120.300 -0.322 0.000 2.263 100 Y HA 0.076 4.629 4.550 0.005 0.000 0.292 100 Y C 2.101 177.761 175.900 -0.400 0.000 1.130 100 Y CA 0.312 58.192 58.100 -0.366 0.000 1.179 100 Y CB -0.375 37.782 38.460 -0.504 0.000 0.998 100 Y HN 0.076 nan 8.280 nan 0.000 0.532 101 L N -0.270 120.691 121.223 -0.438 0.000 2.042 101 L HA -0.137 4.206 4.340 0.004 0.000 0.210 101 L C 2.422 179.255 176.870 -0.063 0.000 1.076 101 L CA 2.184 56.834 54.840 -0.315 0.000 0.749 101 L CB -1.139 40.642 42.059 -0.462 0.000 0.893 101 L HN 0.220 nan 8.230 nan 0.000 0.432 102 G N -1.181 107.579 108.800 -0.068 0.000 2.418 102 G HA2 -0.335 3.628 3.960 0.004 0.000 0.217 102 G HA3 -0.335 3.628 3.960 0.004 0.000 0.217 102 G C 1.697 176.651 174.900 0.090 0.000 1.158 102 G CA 0.944 46.050 45.100 0.009 0.000 0.771 102 G HN 0.335 nan 8.290 nan 0.000 0.545 103 K N 1.009 121.414 120.400 0.009 0.000 2.103 103 K HA 0.248 4.570 4.320 0.004 0.000 0.204 103 K C 2.680 179.326 176.600 0.078 0.000 1.052 103 K CA 1.368 57.659 56.287 0.007 0.000 0.945 103 K CB -0.604 31.828 32.500 -0.114 0.000 0.722 103 K HN 0.151 nan 8.250 nan 0.000 0.443 104 A N 0.007 122.907 122.820 0.134 0.000 1.865 104 A HA -0.195 4.128 4.320 0.004 0.000 0.217 104 A C 2.172 179.847 177.584 0.151 0.000 1.191 104 A CA 1.745 53.889 52.037 0.179 0.000 0.623 104 A CB -1.331 17.866 19.000 0.329 0.000 0.826 104 A HN 0.674 nan 8.150 nan 0.000 0.444 105 W N 0.814 122.109 121.300 -0.007 0.000 2.342 105 W HA -0.175 4.487 4.660 0.004 0.000 0.297 105 W C 2.045 178.548 176.519 -0.026 0.000 1.213 105 W CA 2.032 59.360 57.345 -0.028 0.000 1.251 105 W CB -0.076 29.356 29.460 -0.048 0.000 1.136 105 W HN 0.509 nan 8.180 nan 0.000 0.526 106 E N -0.405 119.892 120.200 0.162 0.000 2.047 106 E HA -0.231 4.122 4.350 0.004 0.000 0.191 106 E C 2.214 178.738 176.600 -0.127 0.000 0.987 106 E CA 2.219 58.613 56.400 -0.010 0.000 0.799 106 E CB -0.632 29.125 29.700 0.096 0.000 0.752 106 E HN 0.292 nan 8.360 nan 0.000 0.449 107 V N -0.050 119.822 119.914 -0.070 0.000 2.809 107 V HA -0.113 4.010 4.120 0.004 0.000 0.256 107 V C 1.810 177.839 176.094 -0.109 0.000 1.080 107 V CA 1.844 64.093 62.300 -0.085 0.000 1.102 107 V CB -0.573 31.218 31.823 -0.054 0.000 0.705 107 V HN 0.131 nan 8.190 nan 0.000 0.475 108 N N 1.117 119.737 118.700 -0.133 0.000 2.289 108 N HA -0.166 4.577 4.740 0.004 0.000 0.184 108 N C 1.731 177.117 175.510 -0.207 0.000 1.016 108 N CA 1.613 54.571 53.050 -0.155 0.000 0.872 108 N CB -0.392 37.997 38.487 -0.163 0.000 0.973 108 N HN 0.588 nan 8.380 nan 0.000 0.433 109 K N -1.139 119.088 120.400 -0.288 0.000 2.097 109 K HA 0.006 4.329 4.320 0.004 0.000 0.206 109 K C 1.717 178.219 176.600 -0.165 0.000 1.049 109 K CA 1.309 57.429 56.287 -0.278 0.000 0.933 109 K CB -0.239 32.054 32.500 -0.345 0.000 0.717 109 K HN 0.297 nan 8.250 nan 0.000 0.442 110 G N -0.649 108.071 108.800 -0.133 0.000 2.939 110 G HA2 -0.103 3.860 3.960 0.004 0.000 0.210 110 G HA3 -0.103 3.860 3.960 0.004 0.000 0.210 110 G C 1.229 176.088 174.900 -0.068 0.000 1.160 110 G CA 0.925 45.971 45.100 -0.091 0.000 0.770 110 G HN 0.416 nan 8.290 nan 0.000 0.543 111 T N -3.481 111.031 114.554 -0.070 0.000 2.964 111 T HA 0.122 4.474 4.350 0.004 0.000 0.250 111 T C 0.940 175.621 174.700 -0.031 0.000 0.982 111 T CA 0.512 62.588 62.100 -0.041 0.000 0.959 111 T CB -0.062 68.785 68.868 -0.035 0.000 1.141 111 T HN 0.151 nan 8.240 nan 0.000 0.494 112 N N 0.768 119.438 118.700 -0.050 0.000 2.714 112 N HA -0.196 4.547 4.740 0.004 0.000 0.253 112 N C 0.732 176.229 175.510 -0.022 0.000 1.024 112 N CA 0.686 53.717 53.050 -0.032 0.000 0.726 112 N CB -1.809 36.675 38.487 -0.005 0.000 0.908 112 N HN 0.818 nan 8.380 nan 0.000 0.542 113 C N -3.265 116.012 119.300 -0.039 0.000 2.674 113 C HA 0.482 4.944 4.460 0.004 0.000 0.276 113 C C 0.972 175.922 174.990 -0.067 0.000 1.300 113 C CA -0.367 58.630 59.018 -0.036 0.000 1.732 113 C CB -0.674 27.051 27.740 -0.026 0.000 2.076 113 C HN 0.233 nan 8.230 nan 0.000 0.548 114 V N 3.094 122.960 119.914 -0.080 0.000 2.370 114 V HA 0.354 4.476 4.120 0.004 0.000 0.279 114 V C 1.530 177.532 176.094 -0.155 0.000 1.029 114 V CA 0.918 63.155 62.300 -0.105 0.000 0.870 114 V CB 1.248 33.031 31.823 -0.066 0.000 0.984 114 V HN 0.658 nan 8.190 nan 0.000 0.451 115 T N 0.383 114.776 114.554 -0.268 0.000 3.044 115 T HA 0.152 4.505 4.350 0.004 0.000 0.255 115 T C 0.715 175.233 174.700 -0.303 0.000 1.073 115 T CA 0.566 62.327 62.100 -0.565 0.000 1.125 115 T CB 0.379 68.565 68.868 -1.137 0.000 0.908 115 T HN 0.603 nan 8.240 nan 0.000 0.480 116 S N -0.547 115.092 115.700 -0.102 0.000 2.542 116 S HA 0.444 4.917 4.470 0.004 0.000 0.276 116 S C -2.084 172.567 174.600 0.085 0.000 1.148 116 S CA -1.021 57.216 58.200 0.062 0.000 0.886 116 S CB 1.234 64.534 63.200 0.165 0.000 1.109 116 S HN 0.432 nan 8.310 nan 0.000 0.458 117 Y N 5.068 125.387 120.300 0.031 0.000 2.383 117 Y HA 0.545 5.097 4.550 0.004 0.000 0.344 117 Y C -0.333 175.555 175.900 -0.021 0.000 0.986 117 Y CA -0.891 57.214 58.100 0.008 0.000 1.175 117 Y CB 0.570 39.090 38.460 0.100 0.000 1.152 117 Y HN 0.603 nan 8.280 nan 0.000 0.511 118 L N 7.720 128.616 121.223 -0.545 0.000 2.515 118 L HA 0.024 4.367 4.340 0.004 0.000 0.281 118 L C 1.391 177.893 176.870 -0.614 0.000 1.131 118 L CA 0.012 54.346 54.840 -0.844 0.000 0.905 118 L CB 0.350 41.681 42.059 -1.213 0.000 1.246 118 L HN 0.857 nan 8.230 nan 0.000 0.463 119 T N -1.882 112.549 114.554 -0.205 0.000 2.821 119 T HA -0.168 4.185 4.350 0.004 0.000 0.267 119 T C 1.223 175.842 174.700 -0.135 0.000 1.046 119 T CA 1.064 63.042 62.100 -0.203 0.000 1.139 119 T CB -0.213 68.697 68.868 0.069 0.000 0.871 119 T HN 0.686 nan 8.240 nan 0.000 0.454 120 D N 1.603 122.000 120.400 -0.005 0.000 2.338 120 D HA -0.019 4.623 4.640 0.004 0.000 0.239 120 D C 1.998 178.279 176.300 -0.032 0.000 1.095 120 D CA 0.340 54.348 54.000 0.014 0.000 0.888 120 D CB -1.368 39.474 40.800 0.069 0.000 0.899 120 D HN 0.714 nan 8.370 nan 0.000 0.525 121 C N -0.993 118.242 119.300 -0.108 0.000 2.437 121 C HA 0.090 4.553 4.460 0.004 0.000 0.283 121 C C 2.075 176.903 174.990 -0.270 0.000 1.424 121 C CA -0.115 58.829 59.018 -0.123 0.000 1.782 121 C CB -0.752 26.954 27.740 -0.056 0.000 1.833 121 C HN 0.245 nan 8.230 nan 0.000 0.532 122 E N 1.775 121.846 120.200 -0.214 0.000 2.072 122 E HA -0.132 4.220 4.350 0.004 0.000 0.191 122 E C 2.383 178.866 176.600 -0.196 0.000 0.985 122 E CA 1.982 58.221 56.400 -0.269 0.000 0.801 122 E CB -0.355 29.332 29.700 -0.021 0.000 0.750 122 E HN 0.917 nan 8.360 nan 0.000 0.452 123 T N -0.429 114.062 114.554 -0.104 0.000 2.951 123 T HA -0.154 4.198 4.350 0.004 0.000 0.268 123 T C 1.924 176.570 174.700 -0.090 0.000 1.073 123 T CA 0.987 63.044 62.100 -0.071 0.000 1.134 123 T CB -0.016 68.834 68.868 -0.031 0.000 0.884 123 T HN -0.052 nan 8.240 nan 0.000 0.479 124 Q N 0.983 120.717 119.800 -0.110 0.000 2.119 124 Q HA 0.057 4.399 4.340 0.004 0.000 0.201 124 Q C 2.102 178.014 176.000 -0.147 0.000 0.972 124 Q CA 0.975 56.717 55.803 -0.102 0.000 0.847 124 Q CB -0.847 27.848 28.738 -0.072 0.000 0.903 124 Q HN 0.497 nan 8.270 nan 0.000 0.433 125 L N 0.295 121.359 121.223 -0.264 0.000 2.043 125 L HA -0.179 4.164 4.340 0.004 0.000 0.212 125 L C 2.122 178.882 176.870 -0.184 0.000 1.075 125 L CA 2.463 57.105 54.840 -0.330 0.000 0.752 125 L CB -0.888 40.812 42.059 -0.599 0.000 0.891 125 L HN 0.427 nan 8.230 nan 0.000 0.432 126 S N -2.266 113.357 115.700 -0.128 0.000 2.522 126 S HA -0.083 4.390 4.470 0.004 0.000 0.227 126 S C 1.638 176.234 174.600 -0.006 0.000 0.986 126 S CA 0.688 58.861 58.200 -0.046 0.000 0.929 126 S CB -0.231 62.950 63.200 -0.032 0.000 0.769 126 S HN 0.706 nan 8.310 nan 0.000 0.529 127 Q N 0.384 120.173 119.800 -0.019 0.000 2.217 127 Q HA 0.479 4.821 4.340 0.004 0.000 0.217 127 Q C 0.345 176.359 176.000 0.023 0.000 0.844 127 Q CA -0.013 55.790 55.803 -0.000 0.000 0.957 127 Q CB 0.792 29.517 28.738 -0.021 0.000 1.127 127 Q HN 0.650 nan 8.270 nan 0.000 0.503 128 A N 3.074 125.921 122.820 0.045 0.000 2.573 128 A HA 0.089 4.412 4.320 0.004 0.000 0.250 128 A C -2.218 175.474 177.584 0.181 0.000 1.049 128 A CA -0.689 51.413 52.037 0.109 0.000 0.767 128 A CB -0.376 18.681 19.000 0.096 0.000 0.965 128 A HN 0.000 nan 8.150 nan 0.000 0.514 129 P HA 0.044 nan 4.420 nan 0.000 0.263 129 P C 0.852 178.121 177.300 -0.051 0.000 1.195 129 P CA -0.108 63.002 63.100 0.017 0.000 0.762 129 P CB 0.465 32.164 31.700 -0.002 0.000 0.799 130 R N 2.489 122.840 120.500 -0.248 0.000 2.148 130 R HA -0.119 4.224 4.340 0.004 0.000 0.227 130 R C 0.862 176.906 176.300 -0.427 0.000 1.103 130 R CA 1.459 57.171 56.100 -0.646 0.000 0.983 130 R CB -0.034 29.982 30.300 -0.474 0.000 0.874 130 R HN 0.553 nan 8.270 nan 0.000 0.451 131 Q N -0.885 118.805 119.800 -0.184 0.000 2.280 131 Q HA 0.193 4.535 4.340 0.004 0.000 0.201 131 Q C 0.246 176.230 176.000 -0.026 0.000 0.890 131 Q CA -0.020 55.727 55.803 -0.094 0.000 0.947 131 Q CB 1.100 29.804 28.738 -0.057 0.000 1.081 131 Q HN 0.211 nan 8.270 nan 0.000 0.502 132 G N -0.052 108.751 108.800 0.004 0.000 2.491 132 G HA2 0.124 4.086 3.960 0.004 0.000 0.242 132 G HA3 0.124 4.086 3.960 0.004 0.000 0.242 132 G C 0.492 175.426 174.900 0.056 0.000 1.266 132 G CA -0.441 44.689 45.100 0.049 0.000 0.844 132 G HN 0.322 nan 8.290 nan 0.000 0.571 133 L N 1.079 122.322 121.223 0.032 0.000 2.456 133 L HA 0.058 4.401 4.340 0.004 0.000 0.224 133 L C 1.483 178.363 176.870 0.016 0.000 1.148 133 L CA 0.775 55.625 54.840 0.016 0.000 0.825 133 L CB -0.228 41.824 42.059 -0.012 0.000 0.937 133 L HN 0.427 nan 8.230 nan 0.000 0.450 134 L N -1.379 119.858 121.223 0.024 0.000 3.202 134 L HA 0.167 4.510 4.340 0.004 0.000 0.278 134 L C 0.096 176.984 176.870 0.031 0.000 1.268 134 L CA -0.634 54.209 54.840 0.004 0.000 1.034 134 L CB -0.065 41.972 42.059 -0.036 0.000 1.407 134 L HN 0.048 nan 8.230 nan 0.000 0.581 135 Y N 1.547 121.822 120.300 -0.041 0.000 2.865 135 Y HA 0.070 4.622 4.550 0.004 0.000 0.338 135 Y C 1.538 177.411 175.900 -0.045 0.000 1.269 135 Y CA 1.191 59.267 58.100 -0.041 0.000 1.585 135 Y CB 0.470 38.912 38.460 -0.030 0.000 1.224 135 Y HN 0.423 nan 8.280 nan 0.000 0.554 136 G N 3.702 112.111 108.800 -0.652 0.000 2.155 136 G HA2 -0.284 3.679 3.960 0.004 0.000 0.257 136 G HA3 -0.284 3.679 3.960 0.004 0.000 0.257 136 G C -0.355 174.364 174.900 -0.301 0.000 0.983 136 G CA 0.173 44.910 45.100 -0.604 0.000 0.676 136 G HN 0.721 nan 8.290 nan 0.000 0.528 137 V N 2.056 121.845 119.914 -0.209 0.000 2.432 137 V HA 0.398 4.521 4.120 0.004 0.000 0.271 137 V C -1.591 174.397 176.094 -0.177 0.000 1.046 137 V CA -1.392 60.798 62.300 -0.183 0.000 0.945 137 V CB 1.438 33.178 31.823 -0.138 0.000 0.992 137 V HN 0.123 nan 8.190 nan 0.000 0.471 138 P HA 0.316 nan 4.420 nan 0.000 0.281 138 P C -0.885 176.392 177.300 -0.037 0.000 1.252 138 P CA -0.100 62.870 63.100 -0.217 0.000 0.778 138 P CB 0.996 32.287 31.700 -0.683 0.000 0.895 139 V N 2.791 122.819 119.914 0.190 0.000 2.588 139 V HA 0.405 4.528 4.120 0.004 0.000 0.304 139 V C 0.054 176.154 176.094 0.009 0.000 1.042 139 V CA -0.586 61.762 62.300 0.080 0.000 0.877 139 V CB 2.036 33.834 31.823 -0.042 0.000 0.996 139 V HN 0.593 nan 8.190 nan 0.000 0.425 140 S N 5.418 121.041 115.700 -0.128 0.000 2.541 140 S HA 0.832 5.305 4.470 0.004 0.000 0.283 140 S C -0.785 173.677 174.600 -0.231 0.000 1.196 140 S CA -0.699 57.294 58.200 -0.344 0.000 1.062 140 S CB 1.193 64.213 63.200 -0.299 0.000 1.009 140 S HN 0.510 nan 8.310 nan 0.000 0.502 141 L N 2.292 123.390 121.223 -0.208 0.000 2.333 141 L HA 0.517 4.859 4.340 0.004 0.000 0.280 141 L C 0.230 177.185 176.870 0.141 0.000 1.004 141 L CA -0.879 53.918 54.840 -0.072 0.000 0.820 141 L CB 1.770 43.816 42.059 -0.020 0.000 1.247 141 L HN 0.744 nan 8.230 nan 0.000 0.416 142 K N 2.290 122.827 120.400 0.229 0.000 2.469 142 K HA -0.069 4.254 4.320 0.004 0.000 0.274 142 K C 1.028 177.752 176.600 0.207 0.000 0.983 142 K CA 0.115 56.543 56.287 0.235 0.000 0.974 142 K CB 0.706 33.385 32.500 0.299 0.000 0.913 142 K HN 0.674 nan 8.250 nan 0.000 0.493 143 E N 2.452 122.617 120.200 -0.058 0.000 2.267 143 E HA -0.213 4.140 4.350 0.004 0.000 0.197 143 E C 1.539 177.911 176.600 -0.381 0.000 0.998 143 E CA 1.585 57.711 56.400 -0.456 0.000 0.830 143 E CB -0.097 29.413 29.700 -0.316 0.000 0.751 143 E HN 0.806 nan 8.360 nan 0.000 0.491 144 C N -0.423 118.788 119.300 -0.150 0.000 2.456 144 C HA 0.102 4.564 4.460 0.004 0.000 0.279 144 C C 1.157 176.040 174.990 -0.178 0.000 1.427 144 C CA -0.771 58.145 59.018 -0.169 0.000 1.778 144 C CB -1.692 25.918 27.740 -0.216 0.000 1.842 144 C HN 0.039 nan 8.230 nan 0.000 0.531 145 F N 3.347 123.338 119.950 0.069 0.000 2.490 145 F HA 0.237 4.766 4.527 0.004 0.000 0.357 145 F C 1.176 177.129 175.800 0.255 0.000 1.166 145 F CA 0.265 58.355 58.000 0.150 0.000 1.116 145 F CB -0.161 38.930 39.000 0.152 0.000 1.171 145 F HN 0.058 nan 8.300 nan 0.000 0.576 146 S N 3.591 119.461 115.700 0.284 0.000 2.552 146 S HA 0.009 4.481 4.470 0.004 0.000 0.289 146 S C -0.784 174.007 174.600 0.319 0.000 1.304 146 S CA 0.174 58.535 58.200 0.268 0.000 1.063 146 S CB 0.022 63.314 63.200 0.154 0.000 0.848 146 S HN 0.500 nan 8.310 nan 0.000 0.499 147 Y N 2.422 122.834 120.300 0.186 0.000 2.386 147 Y HA 0.333 4.885 4.550 0.004 0.000 0.334 147 Y C -0.108 175.858 175.900 0.110 0.000 1.002 147 Y CA -0.940 57.199 58.100 0.064 0.000 1.068 147 Y CB 0.993 39.359 38.460 -0.156 0.000 1.203 147 Y HN 0.582 nan 8.280 nan 0.000 0.443 148 K N 3.410 123.693 120.400 -0.194 0.000 2.511 148 K HA 0.276 4.598 4.320 0.004 0.000 0.280 148 K C 1.043 177.753 176.600 0.183 0.000 1.008 148 K CA 1.649 57.912 56.287 -0.039 0.000 1.050 148 K CB -0.077 32.323 32.500 -0.167 0.000 0.889 148 K HN 1.109 nan 8.250 nan 0.000 0.484 149 G N 2.895 111.789 108.800 0.157 0.000 2.179 149 G HA2 -0.234 3.728 3.960 0.004 0.000 0.260 149 G HA3 -0.234 3.728 3.960 0.004 0.000 0.260 149 G C -0.236 174.700 174.900 0.059 0.000 0.977 149 G CA 0.177 45.352 45.100 0.125 0.000 0.641 149 G HN 0.791 nan 8.290 nan 0.000 0.533 150 H N 0.534 119.703 119.070 0.165 0.000 2.637 150 H HA 0.337 4.896 4.556 0.005 0.000 0.363 150 H C -0.733 174.712 175.328 0.194 0.000 1.131 150 H CA -0.926 55.238 56.048 0.194 0.000 1.183 150 H CB 1.605 31.519 29.762 0.253 0.000 1.637 150 H HN 0.158 nan 8.280 nan 0.000 0.531 151 D N 0.989 121.539 120.400 0.250 0.000 2.400 151 D HA 0.027 4.670 4.640 0.004 0.000 0.238 151 D C -0.123 176.286 176.300 0.181 0.000 1.157 151 D CA 0.451 54.564 54.000 0.188 0.000 0.889 151 D CB 0.826 41.726 40.800 0.166 0.000 1.199 151 D HN 0.291 nan 8.370 nan 0.000 0.436 152 S N 0.055 115.819 115.700 0.107 0.000 2.269 152 S HA 0.114 4.586 4.470 0.004 0.000 0.194 152 S C 1.404 176.026 174.600 0.036 0.000 1.547 152 S CA -0.603 57.607 58.200 0.017 0.000 1.186 152 S CB 0.680 63.888 63.200 0.013 0.000 1.069 152 S HN 0.534 nan 8.310 nan 0.000 0.473 153 T N 0.387 114.987 114.554 0.076 0.000 2.857 153 T HA 0.002 4.354 4.350 0.004 0.000 0.266 153 T C 1.053 175.773 174.700 0.034 0.000 1.048 153 T CA 0.604 62.752 62.100 0.080 0.000 1.139 153 T CB -0.711 68.250 68.868 0.155 0.000 0.874 153 T HN 0.599 nan 8.240 nan 0.000 0.455 154 L N 0.395 121.645 121.223 0.044 0.000 4.232 154 L HA -0.200 4.143 4.340 0.004 0.000 0.415 154 L C 1.386 178.277 176.870 0.036 0.000 1.168 154 L CA 0.279 55.135 54.840 0.027 0.000 0.966 154 L CB -2.617 39.436 42.059 -0.011 0.000 2.052 154 L HN 0.712 nan 8.230 nan 0.000 0.887 155 G N -0.658 108.192 108.800 0.084 0.000 2.162 155 G HA2 -0.313 3.650 3.960 0.004 0.000 0.260 155 G HA3 -0.313 3.650 3.960 0.004 0.000 0.260 155 G C 0.101 174.969 174.900 -0.055 0.000 0.976 155 G CA 0.569 45.693 45.100 0.040 0.000 0.655 155 G HN 0.341 nan 8.290 nan 0.000 0.533 156 L N 1.258 122.427 121.223 -0.090 0.000 2.295 156 L HA 0.467 4.810 4.340 0.004 0.000 0.285 156 L C 1.982 178.783 176.870 -0.116 0.000 1.035 156 L CA -0.109 54.633 54.840 -0.164 0.000 0.806 156 L CB 1.667 43.572 42.059 -0.257 0.000 1.214 156 L HN 0.264 nan 8.230 nan 0.000 0.426 157 S N 3.432 119.066 115.700 -0.111 0.000 2.402 157 S HA -0.231 4.242 4.470 0.004 0.000 0.233 157 S C 1.630 176.185 174.600 -0.074 0.000 1.030 157 S CA 1.542 59.693 58.200 -0.082 0.000 1.003 157 S CB -0.596 62.560 63.200 -0.074 0.000 0.813 157 S HN 0.728 nan 8.310 nan 0.000 0.477 158 L N -0.175 120.991 121.223 -0.094 0.000 2.362 158 L HA 0.172 4.515 4.340 0.004 0.000 0.219 158 L C 1.098 177.941 176.870 -0.044 0.000 1.134 158 L CA 1.340 56.137 54.840 -0.072 0.000 0.807 158 L CB -0.517 41.490 42.059 -0.087 0.000 0.927 158 L HN 0.130 nan 8.230 nan 0.000 0.447 159 N N 0.282 118.957 118.700 -0.041 0.000 2.235 159 N HA 0.070 4.813 4.740 0.004 0.000 0.209 159 N C -0.061 175.458 175.510 0.014 0.000 1.122 159 N CA 0.093 53.139 53.050 -0.007 0.000 0.845 159 N CB 0.216 38.702 38.487 -0.001 0.000 1.004 159 N HN 0.465 nan 8.380 nan 0.000 0.499 160 E N 0.433 120.634 120.200 0.001 0.000 2.301 160 E HA 0.284 4.637 4.350 0.004 0.000 0.275 160 E C 0.566 177.177 176.600 0.019 0.000 1.030 160 E CA -0.079 56.330 56.400 0.015 0.000 0.852 160 E CB 0.834 30.526 29.700 -0.014 0.000 1.060 160 E HN 0.378 nan 8.360 nan 0.000 0.401 161 G N 4.543 113.363 108.800 0.034 0.000 2.221 161 G HA2 -0.209 3.753 3.960 0.004 0.000 0.265 161 G HA3 -0.209 3.753 3.960 0.004 0.000 0.265 161 G C 0.263 175.178 174.900 0.026 0.000 1.041 161 G CA 0.564 45.681 45.100 0.027 0.000 0.807 161 G HN 0.412 nan 8.290 nan 0.000 0.502 162 M N 0.721 120.343 119.600 0.037 0.000 2.693 162 M HA 0.211 4.693 4.480 0.004 0.000 0.224 162 M C -2.647 173.685 176.300 0.054 0.000 1.149 162 M CA -1.258 54.064 55.300 0.037 0.000 0.622 162 M CB 1.425 34.043 32.600 0.031 0.000 1.443 162 M HN 0.001 nan 8.290 nan 0.000 0.431 163 P HA 0.156 nan 4.420 nan 0.000 0.271 163 P C 0.019 177.369 177.300 0.082 0.000 1.216 163 P CA 0.190 63.337 63.100 0.079 0.000 0.776 163 P CB 0.692 32.423 31.700 0.051 0.000 0.881 164 S N 1.557 117.328 115.700 0.118 0.000 2.563 164 S HA -0.007 4.466 4.470 0.004 0.000 0.284 164 S C 1.175 175.813 174.600 0.063 0.000 1.331 164 S CA -0.121 58.136 58.200 0.095 0.000 1.047 164 S CB 0.149 63.424 63.200 0.127 0.000 0.859 164 S HN 0.441 nan 8.310 nan 0.000 0.514 165 E N 0.482 120.702 120.200 0.034 0.000 2.481 165 E HA 0.114 4.466 4.350 0.004 0.000 0.198 165 E C -0.067 176.529 176.600 -0.006 0.000 1.027 165 E CA -0.054 56.354 56.400 0.013 0.000 0.900 165 E CB 0.409 30.114 29.700 0.009 0.000 0.993 165 E HN 0.610 nan 8.360 nan 0.000 0.482 166 S N 0.173 115.868 115.700 -0.009 0.000 2.565 166 S HA 0.265 4.738 4.470 0.004 0.000 0.269 166 S C -1.094 173.474 174.600 -0.053 0.000 1.153 166 S CA -1.185 56.989 58.200 -0.042 0.000 0.835 166 S CB 1.811 64.993 63.200 -0.029 0.000 1.122 166 S HN -0.184 nan 8.310 nan 0.000 0.462 167 D N 1.731 122.055 120.400 -0.126 0.000 2.455 167 D HA 0.266 4.909 4.640 0.004 0.000 0.241 167 D C 1.088 177.383 176.300 -0.008 0.000 1.138 167 D CA -0.197 53.731 54.000 -0.119 0.000 0.877 167 D CB 0.409 41.084 40.800 -0.208 0.000 1.187 167 D HN 0.883 nan 8.370 nan 0.000 0.451 168 C N 0.434 119.776 119.300 0.070 0.000 2.705 168 C HA 0.121 4.584 4.460 0.004 0.000 0.382 168 C C 2.199 177.241 174.990 0.085 0.000 1.322 168 C CA -0.918 58.161 59.018 0.101 0.000 2.290 168 C CB -0.035 27.813 27.740 0.180 0.000 2.650 168 C HN 0.501 nan 8.230 nan 0.000 0.695 169 V N 2.502 122.468 119.914 0.086 0.000 2.287 169 V HA -0.208 3.915 4.120 0.004 0.000 0.248 169 V C 2.644 178.774 176.094 0.060 0.000 1.053 169 V CA 2.713 65.051 62.300 0.064 0.000 1.027 169 V CB -0.886 30.980 31.823 0.071 0.000 0.646 169 V HN 1.013 nan 8.190 nan 0.000 0.447 170 V N -2.295 117.679 119.914 0.100 0.000 2.626 170 V HA -0.129 3.993 4.120 0.004 0.000 0.252 170 V C 2.172 178.274 176.094 0.014 0.000 1.067 170 V CA 1.785 64.121 62.300 0.061 0.000 1.081 170 V CB -0.707 31.172 31.823 0.093 0.000 0.686 170 V HN 0.295 nan 8.190 nan 0.000 0.468 171 V N 0.484 120.426 119.914 0.047 0.000 2.358 171 V HA -0.244 3.878 4.120 0.004 0.000 0.246 171 V C 2.861 178.947 176.094 -0.014 0.000 1.047 171 V CA 2.409 64.724 62.300 0.026 0.000 1.035 171 V CB -0.770 31.110 31.823 0.096 0.000 0.658 171 V HN 0.567 nan 8.190 nan 0.000 0.452 172 Q N -0.527 119.257 119.800 -0.026 0.000 2.096 172 Q HA -0.190 4.153 4.340 0.004 0.000 0.204 172 Q C 2.328 178.281 176.000 -0.078 0.000 0.982 172 Q CA 1.918 57.685 55.803 -0.060 0.000 0.850 172 Q CB -0.330 28.378 28.738 -0.050 0.000 0.901 172 Q HN 0.546 nan 8.270 nan 0.000 0.422 173 V N 0.992 120.873 119.914 -0.055 0.000 2.358 173 V HA -0.237 3.886 4.120 0.004 0.000 0.246 173 V C 2.209 178.263 176.094 -0.066 0.000 1.047 173 V CA 1.344 63.606 62.300 -0.063 0.000 1.035 173 V CB -0.498 31.303 31.823 -0.036 0.000 0.658 173 V HN 0.334 nan 8.190 nan 0.000 0.452 174 L N -0.338 120.851 121.223 -0.057 0.000 2.013 174 L HA -0.256 4.087 4.340 0.004 0.000 0.212 174 L C 2.630 179.469 176.870 -0.052 0.000 1.073 174 L CA 1.900 56.706 54.840 -0.057 0.000 0.753 174 L CB -0.587 41.435 42.059 -0.062 0.000 0.890 174 L HN 0.301 nan 8.230 nan 0.000 0.432 175 K N -0.165 120.202 120.400 -0.054 0.000 2.097 175 K HA -0.124 4.198 4.320 0.004 0.000 0.205 175 K C 2.073 178.623 176.600 -0.083 0.000 1.050 175 K CA 1.021 57.275 56.287 -0.056 0.000 0.938 175 K CB -0.158 32.308 32.500 -0.057 0.000 0.718 175 K HN 0.240 nan 8.250 nan 0.000 0.442 176 L N 1.036 122.174 121.223 -0.142 0.000 2.141 176 L HA -0.166 4.177 4.340 0.004 0.000 0.209 176 L C 2.033 178.831 176.870 -0.121 0.000 1.094 176 L CA 0.917 55.616 54.840 -0.235 0.000 0.763 176 L CB -0.143 41.579 42.059 -0.562 0.000 0.908 176 L HN 0.156 nan 8.230 nan 0.000 0.437 177 Q N -0.127 119.640 119.800 -0.056 0.000 2.415 177 Q HA 0.080 4.423 4.340 0.004 0.000 0.206 177 Q C 1.500 177.516 176.000 0.026 0.000 0.946 177 Q CA 0.793 56.597 55.803 0.001 0.000 0.951 177 Q CB 0.514 29.249 28.738 -0.005 0.000 1.026 177 Q HN 0.578 nan 8.270 nan 0.000 0.510 178 G N 0.412 109.227 108.800 0.025 0.000 2.176 178 G HA2 -0.309 3.653 3.960 0.004 0.000 0.253 178 G HA3 -0.309 3.653 3.960 0.004 0.000 0.253 178 G C 0.464 175.363 174.900 -0.002 0.000 0.979 178 G CA 0.182 45.331 45.100 0.081 0.000 0.641 178 G HN 0.606 nan 8.290 nan 0.000 0.530 179 A N -0.688 122.115 122.820 -0.029 0.000 2.386 179 A HA 0.634 4.956 4.320 0.004 0.000 0.246 179 A C 0.496 178.049 177.584 -0.052 0.000 1.089 179 A CA 0.793 52.795 52.037 -0.057 0.000 0.790 179 A CB 0.889 19.856 19.000 -0.055 0.000 1.042 179 A HN 1.221 nan 8.150 nan 0.000 0.497 180 V N 2.966 122.855 119.914 -0.040 0.000 2.380 180 V HA 0.243 4.366 4.120 0.004 0.000 0.268 180 V C -2.559 173.594 176.094 0.098 0.000 1.008 180 V CA -1.262 61.038 62.300 0.001 0.000 0.823 180 V CB 0.983 32.782 31.823 -0.039 0.000 1.053 180 V HN 0.711 nan 8.190 nan 0.000 0.446 181 P HA 0.088 nan 4.420 nan 0.000 0.263 181 P C 0.101 177.397 177.300 -0.007 0.000 1.195 181 P CA 0.369 63.464 63.100 -0.009 0.000 0.762 181 P CB 0.237 31.907 31.700 -0.051 0.000 0.799 182 F N 3.339 123.171 119.950 -0.196 0.000 2.819 182 F HA 0.356 4.886 4.527 0.004 0.000 0.325 182 F C -0.292 175.420 175.800 -0.148 0.000 1.041 182 F CA -0.302 57.627 58.000 -0.118 0.000 1.184 182 F CB 0.138 39.162 39.000 0.040 0.000 1.019 182 F HN 0.085 nan 8.300 nan 0.000 0.590 183 V N -1.244 118.183 119.914 -0.812 0.000 2.971 183 V HA 0.528 4.650 4.120 0.004 0.000 0.309 183 V C -1.260 174.554 176.094 -0.467 0.000 1.130 183 V CA -0.996 60.951 62.300 -0.588 0.000 0.964 183 V CB 1.271 32.721 31.823 -0.621 0.000 1.029 183 V HN 0.291 nan 8.190 nan 0.000 0.427 184 H N 1.580 120.450 119.070 -0.334 0.000 2.502 184 H HA 0.696 5.255 4.556 0.004 0.000 0.327 184 H C 0.273 175.468 175.328 -0.222 0.000 1.099 184 H CA 0.229 56.131 56.048 -0.243 0.000 1.323 184 H CB 1.689 31.337 29.762 -0.190 0.000 1.450 184 H HN 1.052 nan 8.280 nan 0.000 0.502 185 T N 0.787 115.326 114.554 -0.025 0.000 2.912 185 T HA 0.198 4.551 4.350 0.004 0.000 0.288 185 T C 0.187 174.842 174.700 -0.075 0.000 1.030 185 T CA -1.200 60.854 62.100 -0.076 0.000 1.020 185 T CB 1.676 70.507 68.868 -0.061 0.000 1.056 185 T HN 0.453 nan 8.240 nan 0.000 0.480 186 N N 0.286 118.941 118.700 -0.073 0.000 2.444 186 N HA 0.447 5.189 4.740 0.004 0.000 0.255 186 N C -0.463 175.055 175.510 0.013 0.000 1.255 186 N CA -0.202 52.823 53.050 -0.042 0.000 0.933 186 N CB 0.756 39.238 38.487 -0.009 0.000 1.143 186 N HN 0.855 nan 8.380 nan 0.000 0.453 187 V N -0.504 119.440 119.914 0.050 0.000 3.078 187 V HA 0.757 4.879 4.120 0.004 0.000 0.311 187 V C -2.719 173.427 176.094 0.086 0.000 1.138 187 V CA -2.070 60.266 62.300 0.060 0.000 1.007 187 V CB 1.994 33.847 31.823 0.049 0.000 1.045 187 V HN 0.634 nan 8.190 nan 0.000 0.432 188 P HA 0.111 nan 4.420 nan 0.000 0.272 188 P C -0.498 176.878 177.300 0.127 0.000 1.223 188 P CA -0.046 63.114 63.100 0.099 0.000 0.784 188 P CB 0.525 32.277 31.700 0.087 0.000 0.923 189 Q N 1.956 121.841 119.800 0.141 0.000 2.339 189 Q HA -0.019 4.324 4.340 0.004 0.000 0.308 189 Q C 0.690 176.812 176.000 0.204 0.000 1.097 189 Q CA 1.407 57.295 55.803 0.142 0.000 1.007 189 Q CB -0.400 28.445 28.738 0.178 0.000 1.051 189 Q HN 0.719 nan 8.270 nan 0.000 0.381 190 S N 3.067 118.830 115.700 0.105 0.000 2.596 190 S HA -0.346 4.127 4.470 0.004 0.000 0.260 190 S C 0.691 175.444 174.600 0.255 0.000 1.282 190 S CA 1.371 59.662 58.200 0.152 0.000 1.357 190 S CB -1.723 61.660 63.200 0.304 0.000 1.674 190 S HN 1.005 nan 8.310 nan 0.000 0.641 191 M N -2.545 117.184 119.600 0.216 0.000 2.931 191 M HA -0.218 4.265 4.480 0.004 0.000 0.190 191 M C 0.128 176.557 176.300 0.215 0.000 0.626 191 M CA 1.551 56.955 55.300 0.173 0.000 0.722 191 M CB -2.019 30.643 32.600 0.104 0.000 2.597 191 M HN 0.540 nan 8.290 nan 0.000 0.299 192 F N 2.188 122.259 119.950 0.202 0.000 2.640 192 F HA 0.513 5.043 4.527 0.005 0.000 0.354 192 F C 0.473 176.354 175.800 0.135 0.000 1.213 192 F CA 0.816 58.903 58.000 0.144 0.000 1.314 192 F CB 0.380 39.458 39.000 0.130 0.000 1.679 192 F HN 0.097 nan 8.300 nan 0.000 0.622 193 S N 2.628 118.334 115.700 0.009 0.000 2.597 193 S HA 0.227 4.699 4.470 0.004 0.000 0.274 193 S C -0.756 173.850 174.600 0.010 0.000 1.132 193 S CA -0.624 57.591 58.200 0.026 0.000 0.835 193 S CB 0.310 63.557 63.200 0.079 0.000 1.092 193 S HN 0.425 nan 8.310 nan 0.000 0.457 194 Y N 1.023 121.173 120.300 -0.251 0.000 2.720 194 Y HA 0.601 5.154 4.550 0.005 0.000 0.268 194 Y C 0.118 175.881 175.900 -0.228 0.000 1.142 194 Y CA -0.705 57.177 58.100 -0.364 0.000 1.193 194 Y CB 0.088 37.953 38.460 -0.992 0.000 1.176 194 Y HN 0.499 nan 8.280 nan 0.000 0.542 195 D N 0.062 120.322 120.400 -0.234 0.000 2.595 195 D HA 0.338 4.980 4.640 0.004 0.000 0.268 195 D C -0.717 175.567 176.300 -0.027 0.000 1.181 195 D CA -0.802 53.115 54.000 -0.138 0.000 1.085 195 D CB 2.193 42.897 40.800 -0.161 0.000 1.186 195 D HN 0.195 nan 8.370 nan 0.000 0.621 196 C N 1.276 120.579 119.300 0.005 0.000 3.319 196 C HA 0.559 5.021 4.460 0.004 0.000 0.200 196 C C -0.853 174.165 174.990 0.046 0.000 1.332 196 C CA -0.239 58.801 59.018 0.036 0.000 1.170 196 C CB -1.541 26.226 27.740 0.045 0.000 1.855 196 C HN 0.366 nan 8.230 nan 0.000 0.593 197 S N 2.521 118.251 115.700 0.050 0.000 2.549 197 S HA 0.865 5.337 4.470 0.004 0.000 0.280 197 S C -0.869 173.777 174.600 0.077 0.000 1.109 197 S CA -0.340 57.895 58.200 0.058 0.000 0.905 197 S CB 1.334 64.554 63.200 0.034 0.000 1.081 197 S HN 0.900 nan 8.310 nan 0.000 0.477 198 N N 1.811 120.558 118.700 0.079 0.000 2.610 198 N HA 0.600 5.343 4.740 0.004 0.000 0.264 198 N C -2.881 172.643 175.510 0.022 0.000 1.348 198 N CA -1.561 51.531 53.050 0.071 0.000 0.819 198 N CB 1.342 39.883 38.487 0.091 0.000 1.521 198 N HN 0.204 nan 8.380 nan 0.000 0.497 199 P HA 0.130 nan 4.420 nan 0.000 0.241 199 P C 0.508 177.740 177.300 -0.112 0.000 1.191 199 P CA 0.497 63.572 63.100 -0.042 0.000 0.771 199 P CB 0.313 32.039 31.700 0.043 0.000 0.929 200 L N -2.449 118.651 121.223 -0.206 0.000 2.121 200 L HA 0.074 4.417 4.340 0.004 0.000 0.200 200 L C 1.712 178.235 176.870 -0.577 0.000 1.077 200 L CA 1.346 55.889 54.840 -0.494 0.000 0.766 200 L CB -0.637 40.926 42.059 -0.828 0.000 0.931 200 L HN -0.102 nan 8.230 nan 0.000 0.452 201 F N -0.385 119.573 119.950 0.013 0.000 2.721 201 F HA 0.374 4.904 4.527 0.004 0.000 0.301 201 F C 1.518 177.317 175.800 -0.001 0.000 1.096 201 F CA 0.272 58.278 58.000 0.010 0.000 1.308 201 F CB 0.040 39.049 39.000 0.015 0.000 1.086 201 F HN 0.195 nan 8.300 nan 0.000 0.587 202 G N 0.911 109.766 108.800 0.092 0.000 2.553 202 G HA2 -0.296 3.667 3.960 0.004 0.000 0.242 202 G HA3 -0.296 3.667 3.960 0.004 0.000 0.242 202 G C -0.590 174.352 174.900 0.070 0.000 1.277 202 G CA -0.451 44.680 45.100 0.052 0.000 0.910 202 G HN 0.336 nan 8.290 nan 0.000 0.576 203 Q N 0.080 119.905 119.800 0.042 0.000 2.271 203 Q HA 0.605 4.948 4.340 0.004 0.000 0.258 203 Q C -0.181 175.839 176.000 0.033 0.000 0.936 203 Q CA -0.281 55.543 55.803 0.034 0.000 0.909 203 Q CB 0.940 29.687 28.738 0.014 0.000 1.253 203 Q HN 0.644 nan 8.270 nan 0.000 0.440 204 T N 4.425 119.002 114.554 0.038 0.000 2.889 204 T HA 0.454 4.807 4.350 0.004 0.000 0.291 204 T C -0.182 174.538 174.700 0.034 0.000 0.995 204 T CA -0.225 61.894 62.100 0.031 0.000 1.092 204 T CB 0.633 69.522 68.868 0.036 0.000 0.954 204 T HN 0.570 nan 8.240 nan 0.000 0.506 205 M N 2.729 122.346 119.600 0.029 0.000 2.528 205 M HA 0.348 4.831 4.480 0.004 0.000 0.321 205 M C 0.311 176.647 176.300 0.059 0.000 1.153 205 M CA -0.936 54.386 55.300 0.036 0.000 0.951 205 M CB 1.506 34.115 32.600 0.016 0.000 1.705 205 M HN 0.459 nan 8.290 nan 0.000 0.451 206 N N 3.882 122.636 118.700 0.091 0.000 2.454 206 N HA 0.071 4.813 4.740 0.004 0.000 0.260 206 N C -1.837 173.742 175.510 0.114 0.000 1.218 206 N CA -0.855 52.282 53.050 0.147 0.000 0.904 206 N CB 1.090 39.685 38.487 0.180 0.000 1.065 206 N HN 0.401 nan 8.380 nan 0.000 0.462 207 P HA -0.046 nan 4.420 nan 0.000 0.229 207 P C 0.767 177.995 177.300 -0.121 0.000 1.160 207 P CA 1.021 64.082 63.100 -0.065 0.000 0.777 207 P CB -0.001 31.599 31.700 -0.167 0.000 0.814 208 W N 0.885 122.192 121.300 0.012 0.000 2.518 208 W HA 0.173 4.836 4.660 0.005 0.000 0.273 208 W C 1.125 177.641 176.519 -0.007 0.000 1.247 208 W CA 0.462 57.810 57.345 0.004 0.000 1.288 208 W CB 0.180 29.644 29.460 0.007 0.000 1.107 208 W HN -0.121 nan 8.180 nan 0.000 0.586 209 K N -0.201 120.322 120.400 0.204 0.000 2.582 209 K HA 0.050 4.373 4.320 0.004 0.000 0.259 209 K C 0.641 177.281 176.600 0.066 0.000 0.973 209 K CA 0.197 56.549 56.287 0.107 0.000 0.880 209 K CB 1.046 33.603 32.500 0.095 0.000 1.310 209 K HN -0.142 nan 8.250 nan 0.000 0.443 210 S N 0.642 116.363 115.700 0.034 0.000 2.481 210 S HA -0.132 4.341 4.470 0.004 0.000 0.231 210 S C 1.469 176.076 174.600 0.012 0.000 0.996 210 S CA 1.249 59.460 58.200 0.018 0.000 0.942 210 S CB -0.153 63.048 63.200 0.002 0.000 0.768 210 S HN 0.623 nan 8.310 nan 0.000 0.520 211 S N 0.798 116.503 115.700 0.008 0.000 2.555 211 S HA 0.153 4.625 4.470 0.004 0.000 0.230 211 S C 0.592 175.188 174.600 -0.008 0.000 0.978 211 S CA -0.044 58.154 58.200 -0.004 0.000 0.934 211 S CB -0.254 62.940 63.200 -0.010 0.000 0.766 211 S HN 0.257 nan 8.310 nan 0.000 0.533 212 K N 2.058 122.461 120.400 0.005 0.000 2.123 212 K HA 0.405 4.727 4.320 0.004 0.000 0.259 212 K C -0.250 176.369 176.600 0.031 0.000 0.960 212 K CA -0.306 55.978 56.287 -0.004 0.000 0.872 212 K CB 1.722 34.215 32.500 -0.011 0.000 1.079 212 K HN 0.207 nan 8.250 nan 0.000 0.440 213 S N 2.651 118.370 115.700 0.031 0.000 2.564 213 S HA 0.129 4.602 4.470 0.004 0.000 0.278 213 S C -1.447 173.285 174.600 0.219 0.000 1.333 213 S CA -1.074 57.186 58.200 0.099 0.000 1.048 213 S CB 0.450 63.708 63.200 0.095 0.000 0.900 213 S HN 0.340 nan 8.310 nan 0.000 0.505 214 P HA 0.213 nan 4.420 nan 0.000 0.245 214 P C 0.839 178.320 177.300 0.301 0.000 1.212 214 P CA 0.780 64.032 63.100 0.253 0.000 0.774 214 P CB -0.745 31.046 31.700 0.153 0.000 0.999 215 G N -0.978 108.015 108.800 0.321 0.000 2.698 215 G HA2 0.258 4.221 3.960 0.004 0.000 0.225 215 G HA3 0.258 4.221 3.960 0.004 0.000 0.225 215 G C -0.296 174.610 174.900 0.010 0.000 1.345 215 G CA -0.588 44.520 45.100 0.012 0.000 0.871 215 G HN 0.630 nan 8.290 nan 0.000 0.540 216 G N -2.759 106.037 108.800 -0.006 0.000 2.320 216 G HA2 0.673 4.636 3.960 0.004 0.000 0.296 216 G HA3 0.673 4.636 3.960 0.004 0.000 0.296 216 G C 0.822 175.783 174.900 0.101 0.000 1.306 216 G CA 0.861 45.988 45.100 0.045 0.000 0.836 216 G HN 2.171 nan 8.290 nan 0.000 0.517 217 S N -0.970 114.781 115.700 0.085 0.000 2.515 217 S HA 0.052 4.525 4.470 0.004 0.000 0.231 217 S C 1.377 176.012 174.600 0.059 0.000 0.987 217 S CA 1.256 59.493 58.200 0.061 0.000 0.936 217 S CB 0.060 63.295 63.200 0.058 0.000 0.766 217 S HN 0.762 nan 8.310 nan 0.000 0.528 218 S N 1.820 117.559 115.700 0.065 0.000 2.930 218 S HA 0.342 4.815 4.470 0.004 0.000 0.257 218 S C 1.540 176.173 174.600 0.055 0.000 1.208 218 S CA -0.007 58.232 58.200 0.065 0.000 1.233 218 S CB -0.212 63.032 63.200 0.075 0.000 0.900 218 S HN 0.684 nan 8.310 nan 0.000 0.472 219 G N 2.034 110.866 108.800 0.052 0.000 2.403 219 G HA2 -0.031 3.932 3.960 0.004 0.000 0.216 219 G HA3 -0.031 3.932 3.960 0.004 0.000 0.216 219 G C 1.395 176.325 174.900 0.050 0.000 1.154 219 G CA 0.485 45.619 45.100 0.057 0.000 0.784 219 G HN 0.591 nan 8.290 nan 0.000 0.538 220 G N 0.862 109.681 108.800 0.032 0.000 2.476 220 G HA2 -0.209 3.754 3.960 0.004 0.000 0.218 220 G HA3 -0.209 3.754 3.960 0.004 0.000 0.218 220 G C 1.642 176.547 174.900 0.009 0.000 1.164 220 G CA 1.225 46.331 45.100 0.009 0.000 0.768 220 G HN 0.347 nan 8.290 nan 0.000 0.560 221 E N 0.635 120.844 120.200 0.016 0.000 2.058 221 E HA -0.110 4.242 4.350 0.004 0.000 0.194 221 E C 2.794 179.416 176.600 0.036 0.000 0.997 221 E CA 1.205 57.613 56.400 0.014 0.000 0.801 221 E CB -1.032 28.681 29.700 0.021 0.000 0.746 221 E HN 0.354 nan 8.360 nan 0.000 0.450 222 G N 1.107 109.941 108.800 0.056 0.000 2.446 222 G HA2 -0.237 3.726 3.960 0.004 0.000 0.217 222 G HA3 -0.237 3.726 3.960 0.004 0.000 0.217 222 G C 1.759 176.719 174.900 0.100 0.000 1.168 222 G CA 1.629 46.781 45.100 0.087 0.000 0.771 222 G HN 0.413 nan 8.290 nan 0.000 0.551 223 A N 0.196 123.066 122.820 0.082 0.000 1.902 223 A HA 0.086 4.409 4.320 0.004 0.000 0.217 223 A C 2.369 179.974 177.584 0.035 0.000 1.181 223 A CA 1.726 53.803 52.037 0.066 0.000 0.623 223 A CB -0.429 18.599 19.000 0.047 0.000 0.818 223 A HN 0.435 nan 8.150 nan 0.000 0.443 224 L N -0.175 121.064 121.223 0.028 0.000 2.027 224 L HA -0.022 4.321 4.340 0.004 0.000 0.206 224 L C 2.230 179.131 176.870 0.052 0.000 1.074 224 L CA 1.727 56.583 54.840 0.026 0.000 0.745 224 L CB -0.395 41.667 42.059 0.006 0.000 0.898 224 L HN 0.420 nan 8.230 nan 0.000 0.433 225 I N -0.640 119.965 120.570 0.057 0.000 2.286 225 I HA -0.145 4.028 4.170 0.004 0.000 0.245 225 I C 2.385 178.551 176.117 0.081 0.000 1.104 225 I CA 1.125 62.468 61.300 0.073 0.000 1.397 225 I CB -1.013 37.022 38.000 0.058 0.000 1.072 225 I HN 0.401 nan 8.210 nan 0.000 0.417 226 G N 0.320 109.175 108.800 0.092 0.000 2.498 226 G HA2 -0.205 3.757 3.960 0.004 0.000 0.219 226 G HA3 -0.205 3.757 3.960 0.004 0.000 0.219 226 G C 1.470 176.366 174.900 -0.007 0.000 1.119 226 G CA 1.071 46.243 45.100 0.120 0.000 0.766 226 G HN 0.525 nan 8.290 nan 0.000 0.552 227 S N -1.446 114.228 115.700 -0.044 0.000 2.554 227 S HA 0.450 4.923 4.470 0.004 0.000 0.226 227 S C 1.506 176.070 174.600 -0.061 0.000 0.980 227 S CA 0.711 58.839 58.200 -0.120 0.000 0.939 227 S CB 0.516 63.635 63.200 -0.134 0.000 0.832 227 S HN 1.366 nan 8.310 nan 0.000 0.486 228 G N 0.652 109.458 108.800 0.009 0.000 2.159 228 G HA2 -0.174 3.789 3.960 0.004 0.000 0.227 228 G HA3 -0.174 3.789 3.960 0.004 0.000 0.227 228 G C 0.831 175.798 174.900 0.110 0.000 0.986 228 G CA -0.062 45.063 45.100 0.042 0.000 0.651 228 G HN 0.876 nan 8.290 nan 0.000 0.523 229 G N -0.538 108.342 108.800 0.133 0.000 2.712 229 G HA2 0.433 4.396 3.960 0.004 0.000 0.212 229 G HA3 0.433 4.396 3.960 0.004 0.000 0.212 229 G C 0.550 175.691 174.900 0.401 0.000 1.142 229 G CA 1.615 46.839 45.100 0.208 0.000 0.789 229 G HN 1.767 nan 8.290 nan 0.000 0.535 230 S N -0.622 115.282 115.700 0.340 0.000 2.563 230 S HA 0.488 4.960 4.470 0.004 0.000 0.279 230 S C -2.475 172.140 174.600 0.025 0.000 1.155 230 S CA -0.797 57.513 58.200 0.184 0.000 0.928 230 S CB 2.399 65.716 63.200 0.194 0.000 1.107 230 S HN -0.104 nan 8.310 nan 0.000 0.462 231 P HA 0.251 nan 4.420 nan 0.000 0.236 231 P C -0.116 177.130 177.300 -0.091 0.000 1.177 231 P CA 0.244 63.251 63.100 -0.155 0.000 0.773 231 P CB -0.015 31.482 31.700 -0.339 0.000 0.878 232 L N -1.248 119.921 121.223 -0.090 0.000 2.643 232 L HA 0.751 5.093 4.340 0.004 0.000 0.257 232 L C -1.215 175.614 176.870 -0.069 0.000 0.922 232 L CA -0.520 54.277 54.840 -0.073 0.000 0.909 232 L CB 1.654 43.657 42.059 -0.094 0.000 1.424 232 L HN -0.025 nan 8.230 nan 0.000 0.422 233 G N 3.585 112.342 108.800 -0.071 0.000 2.680 233 G HA2 0.721 4.684 3.960 0.004 0.000 0.290 233 G HA3 0.721 4.684 3.960 0.004 0.000 0.290 233 G C -1.972 172.854 174.900 -0.124 0.000 1.355 233 G CA -0.805 44.236 45.100 -0.098 0.000 0.903 233 G HN 0.645 nan 8.290 nan 0.000 0.474 234 L N 0.264 121.367 121.223 -0.201 0.000 2.346 234 L HA 0.784 5.126 4.340 0.004 0.000 0.276 234 L C 0.659 177.510 176.870 -0.032 0.000 1.006 234 L CA -0.674 54.017 54.840 -0.248 0.000 0.817 234 L CB 2.103 43.733 42.059 -0.716 0.000 1.272 234 L HN 0.790 nan 8.230 nan 0.000 0.421 235 G N 0.420 109.317 108.800 0.162 0.000 3.105 235 G HA2 0.767 4.730 3.960 0.004 0.000 0.277 235 G HA3 0.767 4.730 3.960 0.004 0.000 0.277 235 G C -1.052 174.038 174.900 0.318 0.000 1.375 235 G CA -0.271 45.008 45.100 0.298 0.000 0.962 235 G HN 0.529 nan 8.290 nan 0.000 0.541 236 T N -2.260 112.395 114.554 0.167 0.000 2.883 236 T HA 0.664 5.017 4.350 0.004 0.000 0.301 236 T C -2.075 172.650 174.700 0.040 0.000 1.158 236 T CA -0.701 61.450 62.100 0.084 0.000 1.007 236 T CB 2.724 71.584 68.868 -0.013 0.000 1.186 236 T HN 0.499 nan 8.240 nan 0.000 0.499 237 D N 1.066 121.477 120.400 0.017 0.000 2.613 237 D HA 0.321 4.964 4.640 0.004 0.000 0.230 237 D C -0.274 176.012 176.300 -0.023 0.000 1.365 237 D CA -0.488 53.508 54.000 -0.006 0.000 0.976 237 D CB 1.898 42.690 40.800 -0.013 0.000 1.415 237 D HN 0.639 nan 8.370 nan 0.000 0.589 238 I N 1.768 122.312 120.570 -0.044 0.000 4.323 238 I HA 0.309 4.481 4.170 0.004 0.000 0.328 238 I C 1.096 177.158 176.117 -0.092 0.000 1.310 238 I CA 0.210 61.472 61.300 -0.064 0.000 1.186 238 I CB 0.824 38.783 38.000 -0.069 0.000 1.130 238 I HN 0.455 nan 8.210 nan 0.000 0.411 239 G N -0.568 108.175 108.800 -0.095 0.000 4.213 239 G HA2 0.401 4.364 3.960 0.004 0.000 0.274 239 G HA3 0.401 4.364 3.960 0.004 0.000 0.274 239 G C 0.719 175.584 174.900 -0.058 0.000 1.033 239 G CA 0.435 45.478 45.100 -0.094 0.000 0.822 239 G HN 0.412 nan 8.290 nan 0.000 0.432 240 G N -0.194 108.544 108.800 -0.104 0.000 2.321 240 G HA2 -0.163 3.799 3.960 0.004 0.000 0.174 240 G HA3 -0.163 3.799 3.960 0.004 0.000 0.174 240 G C 1.011 175.813 174.900 -0.164 0.000 1.008 240 G CA 0.502 45.384 45.100 -0.364 0.000 0.739 240 G HN 0.300 nan 8.290 nan 0.000 0.502 241 S N -0.087 115.635 115.700 0.037 0.000 2.603 241 S HA 0.228 4.700 4.470 0.004 0.000 0.229 241 S C 2.026 176.655 174.600 0.049 0.000 0.972 241 S CA 0.808 59.073 58.200 0.108 0.000 0.935 241 S CB -0.005 63.239 63.200 0.073 0.000 0.769 241 S HN 0.500 nan 8.310 nan 0.000 0.536 242 I N 0.392 120.958 120.570 -0.006 0.000 2.867 242 I HA 0.052 4.225 4.170 0.004 0.000 0.265 242 I C 2.389 178.476 176.117 -0.050 0.000 1.162 242 I CA 0.562 61.858 61.300 -0.007 0.000 1.471 242 I CB 0.104 38.104 38.000 -0.001 0.000 1.123 242 I HN 0.099 nan 8.210 nan 0.000 0.440 243 R N -0.224 120.193 120.500 -0.139 0.000 2.080 243 R HA 0.009 4.351 4.340 0.004 0.000 0.222 243 R C 2.187 178.343 176.300 -0.240 0.000 1.107 243 R CA 1.117 57.093 56.100 -0.207 0.000 0.980 243 R CB -0.277 29.847 30.300 -0.294 0.000 0.879 243 R HN 0.111 nan 8.270 nan 0.000 0.439 244 F N 1.491 121.297 119.950 -0.240 0.000 2.069 244 F HA -0.134 4.396 4.527 0.005 0.000 0.298 244 F C -0.571 174.874 175.800 -0.592 0.000 1.113 244 F CA 1.213 58.893 58.000 -0.533 0.000 1.214 244 F CB -1.528 37.149 39.000 -0.539 0.000 0.978 244 F HN 0.045 nan 8.300 nan 0.000 0.474 245 P HA -0.058 nan 4.420 nan 0.000 0.219 245 P C 1.568 178.897 177.300 0.049 0.000 1.150 245 P CA 1.524 64.606 63.100 -0.030 0.000 0.814 245 P CB -0.033 31.684 31.700 0.029 0.000 0.787 246 S N 0.644 116.358 115.700 0.023 0.000 2.356 246 S HA -0.111 4.362 4.470 0.004 0.000 0.223 246 S C 2.257 176.905 174.600 0.080 0.000 1.032 246 S CA 1.557 59.786 58.200 0.048 0.000 1.005 246 S CB -1.052 62.154 63.200 0.010 0.000 0.867 246 S HN 0.188 nan 8.310 nan 0.000 0.449 247 A N 1.287 124.151 122.820 0.072 0.000 1.877 247 A HA -0.021 4.302 4.320 0.004 0.000 0.216 247 A C 1.830 179.592 177.584 0.296 0.000 1.186 247 A CA 1.327 53.451 52.037 0.145 0.000 0.620 247 A CB -0.830 18.263 19.000 0.156 0.000 0.822 247 A HN 0.440 nan 8.150 nan 0.000 0.443 248 F N -0.339 119.655 119.950 0.073 0.000 2.216 248 F HA -0.118 4.412 4.527 0.004 0.000 0.300 248 F C 2.263 178.095 175.800 0.053 0.000 1.085 248 F CA 0.135 58.171 58.000 0.060 0.000 1.326 248 F CB -1.175 37.893 39.000 0.112 0.000 1.027 248 F HN 0.240 nan 8.300 nan 0.000 0.497 249 C N -0.755 118.730 119.300 0.309 0.000 2.906 249 C HA 0.550 5.013 4.460 0.004 0.000 0.274 249 C C 1.651 176.865 174.990 0.373 0.000 1.257 249 C CA 0.136 59.374 59.018 0.367 0.000 1.695 249 C CB -0.762 27.169 27.740 0.317 0.000 1.958 249 C HN 0.691 nan 8.230 nan 0.000 0.619 250 G N 2.253 111.150 108.800 0.161 0.000 2.256 250 G HA2 -0.213 3.749 3.960 0.004 0.000 0.272 250 G HA3 -0.213 3.749 3.960 0.004 0.000 0.272 250 G C -0.225 174.771 174.900 0.159 0.000 1.076 250 G CA 0.649 45.809 45.100 0.101 0.000 0.882 250 G HN 0.788 nan 8.290 nan 0.000 0.497 251 I N -3.961 116.684 120.570 0.125 0.000 3.322 251 I HA 0.835 5.008 4.170 0.004 0.000 0.313 251 I C 0.356 176.504 176.117 0.051 0.000 1.129 251 I CA -1.708 59.650 61.300 0.096 0.000 0.963 251 I CB 1.705 39.768 38.000 0.104 0.000 1.273 251 I HN 0.049 nan 8.210 nan 0.000 0.473 252 C N 1.445 120.766 119.300 0.035 0.000 2.370 252 C HA 0.908 5.371 4.460 0.004 0.000 0.354 252 C C 0.559 175.552 174.990 0.004 0.000 1.218 252 C CA -0.097 58.927 59.018 0.010 0.000 2.154 252 C CB 0.215 27.959 27.740 0.007 0.000 2.391 252 C HN 0.981 nan 8.230 nan 0.000 0.540 253 G N 1.334 110.127 108.800 -0.011 0.000 2.706 253 G HA2 0.638 4.601 3.960 0.004 0.000 0.297 253 G HA3 0.638 4.601 3.960 0.004 0.000 0.297 253 G C -2.039 172.849 174.900 -0.020 0.000 1.403 253 G CA -0.325 44.767 45.100 -0.013 0.000 0.954 253 G HN 0.665 nan 8.290 nan 0.000 0.500 254 L N 0.708 121.924 121.223 -0.012 0.000 2.409 254 L HA 0.698 5.041 4.340 0.004 0.000 0.272 254 L C -0.312 176.560 176.870 0.003 0.000 0.980 254 L CA -0.857 53.979 54.840 -0.006 0.000 0.826 254 L CB 1.999 44.061 42.059 0.004 0.000 1.268 254 L HN 0.448 nan 8.230 nan 0.000 0.407 255 K N 6.841 127.241 120.400 -0.001 0.000 2.299 255 K HA 0.511 4.834 4.320 0.004 0.000 0.268 255 K C -2.544 174.064 176.600 0.013 0.000 1.075 255 K CA -1.726 54.565 56.287 0.008 0.000 0.936 255 K CB 1.068 33.566 32.500 -0.004 0.000 1.228 255 K HN 0.378 nan 8.250 nan 0.000 0.454 256 P HA 0.029 nan 4.420 nan 0.000 0.275 256 P C -0.655 176.619 177.300 -0.043 0.000 1.270 256 P CA -0.324 62.780 63.100 0.007 0.000 0.791 256 P CB 0.321 32.048 31.700 0.044 0.000 1.089 257 T N 0.304 114.779 114.554 -0.132 0.000 2.946 257 T HA 0.080 4.432 4.350 0.004 0.000 0.311 257 T C 1.901 176.483 174.700 -0.198 0.000 1.063 257 T CA 0.728 62.653 62.100 -0.292 0.000 1.139 257 T CB 0.039 68.460 68.868 -0.745 0.000 0.994 257 T HN 0.575 nan 8.240 nan 0.000 0.547 258 G N 2.317 111.021 108.800 -0.160 0.000 2.529 258 G HA2 -0.292 3.670 3.960 0.004 0.000 0.219 258 G HA3 -0.292 3.670 3.960 0.004 0.000 0.219 258 G C 1.260 176.170 174.900 0.018 0.000 1.177 258 G CA 0.698 45.769 45.100 -0.048 0.000 0.773 258 G HN 0.665 nan 8.290 nan 0.000 0.573 259 N N -0.496 118.224 118.700 0.035 0.000 2.327 259 N HA 0.139 4.881 4.740 0.004 0.000 0.231 259 N C 1.659 177.392 175.510 0.372 0.000 1.130 259 N CA -0.194 52.987 53.050 0.218 0.000 0.845 259 N CB 0.109 38.781 38.487 0.308 0.000 1.073 259 N HN 0.180 nan 8.380 nan 0.000 0.496 260 R N -0.464 120.205 120.500 0.282 0.000 2.119 260 R HA 0.262 4.605 4.340 0.004 0.000 0.222 260 R C -0.019 176.462 176.300 0.301 0.000 1.088 260 R CA 1.040 57.374 56.100 0.390 0.000 0.984 260 R CB 0.162 30.627 30.300 0.274 0.000 0.884 260 R HN 0.181 nan 8.270 nan 0.000 0.447 261 L N -0.402 120.952 121.223 0.218 0.000 2.333 261 L HA 0.395 4.738 4.340 0.004 0.000 0.269 261 L C -0.263 176.711 176.870 0.174 0.000 1.010 261 L CA -1.094 53.858 54.840 0.185 0.000 0.818 261 L CB 1.877 44.025 42.059 0.149 0.000 1.306 261 L HN -0.050 nan 8.230 nan 0.000 0.430 262 S N 0.423 116.219 115.700 0.159 0.000 2.528 262 S HA 0.161 4.634 4.470 0.004 0.000 0.277 262 S C 0.537 175.220 174.600 0.139 0.000 1.297 262 S CA -0.289 57.998 58.200 0.144 0.000 1.052 262 S CB 0.481 63.757 63.200 0.126 0.000 0.917 262 S HN 0.606 nan 8.310 nan 0.000 0.492 263 K N 2.649 123.121 120.400 0.120 0.000 2.387 263 K HA 0.137 4.460 4.320 0.004 0.000 0.198 263 K C 0.410 177.064 176.600 0.090 0.000 1.022 263 K CA -0.112 56.235 56.287 0.100 0.000 1.128 263 K CB 0.366 32.916 32.500 0.083 0.000 0.853 263 K HN 0.503 nan 8.250 nan 0.000 0.523 264 S N 0.297 116.053 115.700 0.094 0.000 2.525 264 S HA 0.188 4.661 4.470 0.004 0.000 0.285 264 S C 1.193 175.840 174.600 0.077 0.000 1.283 264 S CA 1.001 59.247 58.200 0.077 0.000 1.072 264 S CB 0.206 63.448 63.200 0.071 0.000 0.867 264 S HN 0.673 nan 8.310 nan 0.000 0.492 265 G N 3.371 112.209 108.800 0.062 0.000 2.176 265 G HA2 -0.210 3.753 3.960 0.004 0.000 0.253 265 G HA3 -0.210 3.753 3.960 0.004 0.000 0.253 265 G C -0.141 174.799 174.900 0.067 0.000 0.979 265 G CA 0.097 45.235 45.100 0.063 0.000 0.641 265 G HN 0.681 nan 8.290 nan 0.000 0.530 266 L N 0.668 121.919 121.223 0.047 0.000 2.380 266 L HA 0.594 4.937 4.340 0.004 0.000 0.273 266 L C 0.675 177.577 176.870 0.053 0.000 1.138 266 L CA -0.257 54.566 54.840 -0.029 0.000 0.832 266 L CB 1.179 43.169 42.059 -0.116 0.000 1.124 266 L HN 0.199 nan 8.230 nan 0.000 0.454 267 K N 1.773 122.182 120.400 0.015 0.000 2.205 267 K HA 0.691 5.014 4.320 0.004 0.000 0.279 267 K C -0.124 176.486 176.600 0.017 0.000 1.027 267 K CA 0.053 56.390 56.287 0.083 0.000 0.932 267 K CB 1.079 33.604 32.500 0.042 0.000 1.032 267 K HN 0.687 nan 8.250 nan 0.000 0.466 268 G N 1.186 109.988 108.800 0.003 0.000 2.788 268 G HA2 0.292 4.254 3.960 0.004 0.000 0.293 268 G HA3 0.292 4.254 3.960 0.004 0.000 0.293 268 G C -0.144 174.556 174.900 -0.333 0.000 1.392 268 G CA -0.622 44.337 45.100 -0.234 0.000 0.810 268 G HN 0.665 nan 8.290 nan 0.000 0.508 269 C N -1.157 117.971 119.300 -0.286 0.000 2.609 269 C HA 0.481 4.944 4.460 0.004 0.000 0.305 269 C C 0.670 175.525 174.990 -0.225 0.000 1.319 269 C CA 0.168 59.085 59.018 -0.169 0.000 1.793 269 C CB -0.040 27.727 27.740 0.046 0.000 2.260 269 C HN 0.314 nan 8.230 nan 0.000 0.535 270 V N 0.588 120.307 119.914 -0.325 0.000 2.588 270 V HA 0.473 4.596 4.120 0.004 0.000 0.304 270 V C -1.483 174.386 176.094 -0.376 0.000 1.042 270 V CA -0.476 61.696 62.300 -0.214 0.000 0.877 270 V CB 1.369 33.161 31.823 -0.051 0.000 0.996 270 V HN 0.300 nan 8.190 nan 0.000 0.425 271 Y N 1.551 121.876 120.300 0.042 0.000 2.429 271 Y HA 0.692 5.244 4.550 0.004 0.000 0.342 271 Y C 1.079 176.999 175.900 0.034 0.000 1.004 271 Y CA 0.057 58.177 58.100 0.034 0.000 1.075 271 Y CB 2.191 40.669 38.460 0.029 0.000 1.214 271 Y HN 0.833 nan 8.280 nan 0.000 0.455 272 G N 1.323 110.239 108.800 0.194 0.000 2.157 272 G HA2 -0.237 3.726 3.960 0.004 0.000 0.239 272 G HA3 -0.237 3.726 3.960 0.004 0.000 0.239 272 G C -0.043 174.910 174.900 0.089 0.000 0.982 272 G CA -0.318 44.859 45.100 0.128 0.000 0.650 272 G HN 0.514 nan 8.290 nan 0.000 0.527 273 Q N 1.283 121.122 119.800 0.065 0.000 2.337 273 Q HA 0.486 4.828 4.340 0.004 0.000 0.255 273 Q C 1.218 177.240 176.000 0.037 0.000 0.997 273 Q CA 0.873 56.698 55.803 0.036 0.000 0.925 273 Q CB 0.745 29.481 28.738 -0.003 0.000 1.212 273 Q HN 0.580 nan 8.270 nan 0.000 0.436 274 T N -0.241 114.341 114.554 0.047 0.000 3.043 274 T HA 0.285 4.638 4.350 0.004 0.000 0.272 274 T C 1.389 176.113 174.700 0.040 0.000 0.990 274 T CA 0.371 62.501 62.100 0.049 0.000 0.897 274 T CB 0.409 69.317 68.868 0.066 0.000 1.111 274 T HN 0.390 nan 8.240 nan 0.000 0.529 275 A N 1.630 124.469 122.820 0.033 0.000 1.877 275 A HA 0.276 4.599 4.320 0.004 0.000 0.216 275 A C 1.125 178.708 177.584 -0.002 0.000 1.186 275 A CA 1.057 53.108 52.037 0.023 0.000 0.620 275 A CB -0.532 18.479 19.000 0.018 0.000 0.822 275 A HN 0.452 nan 8.150 nan 0.000 0.443 276 V N 1.112 121.015 119.914 -0.018 0.000 2.304 276 V HA 0.268 4.391 4.120 0.004 0.000 0.278 276 V C -0.570 175.510 176.094 -0.024 0.000 1.018 276 V CA -0.606 61.673 62.300 -0.035 0.000 0.814 276 V CB 0.932 32.718 31.823 -0.062 0.000 1.021 276 V HN 0.495 nan 8.190 nan 0.000 0.440 277 Q N 2.476 122.268 119.800 -0.013 0.000 2.364 277 Q HA 0.332 4.674 4.340 0.004 0.000 0.267 277 Q C -0.371 175.624 176.000 -0.009 0.000 0.999 277 Q CA -0.048 55.754 55.803 -0.001 0.000 0.886 277 Q CB 1.095 29.834 28.738 0.003 0.000 1.243 277 Q HN 0.643 nan 8.270 nan 0.000 0.415 278 L N 1.842 123.065 121.223 0.000 0.000 2.426 278 L HA 0.382 4.725 4.340 0.004 0.000 0.271 278 L C -0.478 176.399 176.870 0.011 0.000 1.169 278 L CA 0.764 55.603 54.840 -0.002 0.000 0.836 278 L CB 1.130 43.189 42.059 -0.001 0.000 1.112 278 L HN 0.568 nan 8.230 nan 0.000 0.465 279 S N 4.326 120.033 115.700 0.012 0.000 2.536 279 S HA 0.773 5.246 4.470 0.004 0.000 0.287 279 S C -0.961 173.674 174.600 0.057 0.000 1.101 279 S CA -0.816 57.403 58.200 0.031 0.000 0.950 279 S CB 1.046 64.255 63.200 0.014 0.000 1.056 279 S HN 0.706 nan 8.310 nan 0.000 0.481 280 L N 2.523 123.805 121.223 0.098 0.000 2.330 280 L HA 1.135 5.478 4.340 0.004 0.000 0.271 280 L C 0.094 177.045 176.870 0.135 0.000 1.013 280 L CA -0.154 54.787 54.840 0.168 0.000 0.816 280 L CB 1.468 43.702 42.059 0.292 0.000 1.287 280 L HN 0.804 nan 8.230 nan 0.000 0.435 281 G N 0.498 109.375 108.800 0.129 0.000 2.495 281 G HA2 0.565 4.528 3.960 0.004 0.000 0.294 281 G HA3 0.565 4.528 3.960 0.004 0.000 0.294 281 G C -3.375 171.540 174.900 0.025 0.000 1.397 281 G CA -0.817 44.320 45.100 0.062 0.000 0.790 281 G HN 0.602 nan 8.290 nan 0.000 0.486 282 P HA 0.538 nan 4.420 nan 0.000 0.281 282 P C -0.873 176.415 177.300 -0.020 0.000 1.249 282 P CA -0.285 62.794 63.100 -0.035 0.000 0.810 282 P CB 1.470 33.137 31.700 -0.055 0.000 1.008 283 M N 1.632 121.218 119.600 -0.024 0.000 2.395 283 M HA 0.733 5.216 4.480 0.004 0.000 0.307 283 M C -0.411 175.882 176.300 -0.012 0.000 1.091 283 M CA -0.339 54.957 55.300 -0.008 0.000 0.919 283 M CB 2.675 35.278 32.600 0.006 0.000 1.662 283 M HN 0.477 nan 8.290 nan 0.000 0.440 284 A N 1.646 124.467 122.820 0.002 0.000 2.536 284 A HA 0.612 4.935 4.320 0.004 0.000 0.293 284 A C -0.417 177.185 177.584 0.029 0.000 1.119 284 A CA -0.790 51.251 52.037 0.005 0.000 0.654 284 A CB 1.294 20.285 19.000 -0.015 0.000 1.291 284 A HN 0.889 nan 8.150 nan 0.000 0.439 285 R N -0.215 120.307 120.500 0.038 0.000 2.297 285 R HA 0.136 4.479 4.340 0.004 0.000 0.197 285 R C -0.778 175.551 176.300 0.050 0.000 0.943 285 R CA 1.292 57.426 56.100 0.057 0.000 1.038 285 R CB -0.066 30.276 30.300 0.069 0.000 0.957 285 R HN 0.813 nan 8.270 nan 0.000 0.484 286 D N -3.421 117.001 120.400 0.037 0.000 2.639 286 D HA 0.049 4.692 4.640 0.004 0.000 0.271 286 D C 0.517 176.837 176.300 0.034 0.000 1.254 286 D CA -0.761 53.262 54.000 0.039 0.000 0.810 286 D CB 0.840 41.667 40.800 0.046 0.000 1.351 286 D HN -0.337 nan 8.370 nan 0.000 0.427 287 V N -0.113 119.831 119.914 0.051 0.000 2.379 287 V HA -0.150 3.972 4.120 0.004 0.000 0.245 287 V C 2.289 178.425 176.094 0.070 0.000 1.044 287 V CA 2.144 64.481 62.300 0.062 0.000 1.036 287 V CB -0.778 31.105 31.823 0.100 0.000 0.664 287 V HN 0.770 nan 8.190 nan 0.000 0.453 288 E N 0.781 121.052 120.200 0.119 0.000 2.130 288 E HA -0.224 4.129 4.350 0.004 0.000 0.196 288 E C 2.267 178.871 176.600 0.006 0.000 0.998 288 E CA 1.942 58.418 56.400 0.126 0.000 0.806 288 E CB -0.372 29.409 29.700 0.135 0.000 0.738 288 E HN 0.555 nan 8.360 nan 0.000 0.459 289 S N -0.198 115.499 115.700 -0.004 0.000 2.368 289 S HA -0.118 4.355 4.470 0.004 0.000 0.225 289 S C 1.855 176.404 174.600 -0.084 0.000 1.030 289 S CA 1.243 59.419 58.200 -0.041 0.000 0.999 289 S CB -0.301 62.885 63.200 -0.023 0.000 0.844 289 S HN 0.292 nan 8.310 nan 0.000 0.459 290 L N 1.004 122.180 121.223 -0.078 0.000 2.046 290 L HA -0.112 4.230 4.340 0.004 0.000 0.208 290 L C 2.780 179.535 176.870 -0.192 0.000 1.077 290 L CA 1.233 56.012 54.840 -0.102 0.000 0.747 290 L CB -0.755 41.267 42.059 -0.062 0.000 0.896 290 L HN 0.318 nan 8.230 nan 0.000 0.432 291 A N 0.023 122.680 122.820 -0.271 0.000 1.930 291 A HA -0.173 4.150 4.320 0.004 0.000 0.217 291 A C 2.198 179.424 177.584 -0.597 0.000 1.175 291 A CA 1.298 53.020 52.037 -0.525 0.000 0.627 291 A CB -0.556 17.943 19.000 -0.835 0.000 0.815 291 A HN 0.309 nan 8.150 nan 0.000 0.443 292 L N -0.369 120.656 121.223 -0.330 0.000 2.093 292 L HA -0.117 4.226 4.340 0.004 0.000 0.208 292 L C 2.486 179.192 176.870 -0.274 0.000 1.085 292 L CA 2.043 56.722 54.840 -0.268 0.000 0.755 292 L CB -1.077 40.903 42.059 -0.132 0.000 0.904 292 L HN 0.519 nan 8.230 nan 0.000 0.435 293 C N -1.126 118.035 119.300 -0.232 0.000 2.446 293 C HA -0.090 4.373 4.460 0.004 0.000 0.277 293 C C 2.727 177.593 174.990 -0.207 0.000 1.275 293 C CA 0.719 59.627 59.018 -0.183 0.000 1.727 293 C CB -1.007 26.651 27.740 -0.138 0.000 2.010 293 C HN 0.585 nan 8.230 nan 0.000 0.486 294 L N 1.321 122.378 121.223 -0.276 0.000 2.056 294 L HA -0.067 4.276 4.340 0.004 0.000 0.207 294 L C 2.591 179.274 176.870 -0.311 0.000 1.078 294 L CA 2.010 56.715 54.840 -0.224 0.000 0.749 294 L CB -0.793 41.179 42.059 -0.145 0.000 0.901 294 L HN 0.380 nan 8.230 nan 0.000 0.433 295 K N -0.809 119.185 120.400 -0.677 0.000 2.063 295 K HA -0.200 4.123 4.320 0.004 0.000 0.208 295 K C 2.016 178.500 176.600 -0.194 0.000 1.048 295 K CA 1.395 57.381 56.287 -0.501 0.000 0.928 295 K CB -0.149 31.986 32.500 -0.608 0.000 0.713 295 K HN 0.341 nan 8.250 nan 0.000 0.442 296 A N 0.780 123.489 122.820 -0.185 0.000 1.930 296 A HA -0.086 4.237 4.320 0.004 0.000 0.217 296 A C 2.037 179.568 177.584 -0.089 0.000 1.175 296 A CA 1.169 53.143 52.037 -0.105 0.000 0.627 296 A CB -0.407 18.536 19.000 -0.095 0.000 0.815 296 A HN 0.304 nan 8.150 nan 0.000 0.443 297 L N -0.956 120.207 121.223 -0.100 0.000 2.127 297 L HA 0.065 4.408 4.340 0.004 0.000 0.203 297 L C 0.758 177.538 176.870 -0.151 0.000 1.080 297 L CA 0.333 55.117 54.840 -0.093 0.000 0.768 297 L CB -0.299 41.726 42.059 -0.057 0.000 0.924 297 L HN 0.236 nan 8.230 nan 0.000 0.444 298 L N 1.627 122.795 121.223 -0.091 0.000 2.511 298 L HA 0.062 4.405 4.340 0.004 0.000 0.239 298 L C 0.117 176.857 176.870 -0.218 0.000 1.400 298 L CA -0.624 54.170 54.840 -0.077 0.000 1.226 298 L CB -0.841 41.362 42.059 0.240 0.000 1.475 298 L HN 0.424 nan 8.230 nan 0.000 0.428 299 C N -3.347 115.634 119.300 -0.531 0.000 2.973 299 C HA 0.457 4.920 4.460 0.004 0.000 0.329 299 C C 1.773 176.417 174.990 -0.576 0.000 1.327 299 C CA -0.848 57.954 59.018 -0.359 0.000 1.632 299 C CB 1.977 29.609 27.740 -0.181 0.000 2.098 299 C HN 0.440 nan 8.230 nan 0.000 0.469 300 E N 0.346 120.390 120.200 -0.259 0.000 2.097 300 E HA -0.194 4.159 4.350 0.004 0.000 0.196 300 E C 1.980 178.465 176.600 -0.193 0.000 1.000 300 E CA 1.895 58.203 56.400 -0.154 0.000 0.804 300 E CB -0.477 29.126 29.700 -0.161 0.000 0.740 300 E HN 0.753 nan 8.360 nan 0.000 0.454 301 H N 0.126 119.124 119.070 -0.120 0.000 2.319 301 H HA -0.164 4.395 4.556 0.005 0.000 0.297 301 H C 2.345 177.603 175.328 -0.117 0.000 1.097 301 H CA 1.433 57.425 56.048 -0.092 0.000 1.285 301 H CB -0.674 29.036 29.762 -0.086 0.000 1.368 301 H HN 0.135 nan 8.280 nan 0.000 0.495 302 L N 0.542 121.693 121.223 -0.120 0.000 2.017 302 L HA -0.164 4.179 4.340 0.004 0.000 0.208 302 L C 2.103 178.946 176.870 -0.044 0.000 1.073 302 L CA 1.491 56.239 54.840 -0.154 0.000 0.745 302 L CB -0.691 41.180 42.059 -0.314 0.000 0.894 302 L HN -0.046 nan 8.230 nan 0.000 0.432 303 F N -0.225 119.755 119.950 0.049 0.000 2.234 303 F HA -0.110 4.420 4.527 0.005 0.000 0.299 303 F C 2.697 178.513 175.800 0.027 0.000 1.087 303 F CA 1.326 59.345 58.000 0.031 0.000 1.340 303 F CB -1.992 37.015 39.000 0.012 0.000 1.031 303 F HN 0.333 nan 8.300 nan 0.000 0.500 304 T N -2.075 112.581 114.554 0.170 0.000 2.937 304 T HA -0.030 4.323 4.350 0.004 0.000 0.260 304 T C 2.067 176.822 174.700 0.092 0.000 1.051 304 T CA 0.689 62.857 62.100 0.113 0.000 1.141 304 T CB -0.763 68.155 68.868 0.083 0.000 0.879 304 T HN 0.277 nan 8.240 nan 0.000 0.459 305 L N 0.808 122.082 121.223 0.085 0.000 2.131 305 L HA 0.110 4.452 4.340 0.004 0.000 0.210 305 L C 0.845 177.759 176.870 0.074 0.000 1.092 305 L CA 1.147 56.027 54.840 0.067 0.000 0.759 305 L CB -0.105 41.985 42.059 0.052 0.000 0.903 305 L HN 0.329 nan 8.230 nan 0.000 0.435 306 D N -1.509 118.952 120.400 0.100 0.000 2.364 306 D HA 0.184 4.827 4.640 0.004 0.000 0.251 306 D C -2.074 174.304 176.300 0.130 0.000 1.282 306 D CA -1.754 52.309 54.000 0.105 0.000 0.927 306 D CB 1.255 42.121 40.800 0.109 0.000 1.267 306 D HN -0.187 nan 8.370 nan 0.000 0.531 307 P HA -0.047 nan 4.420 nan 0.000 0.234 307 P C 1.302 178.641 177.300 0.065 0.000 1.167 307 P CA 0.884 64.034 63.100 0.085 0.000 0.763 307 P CB 0.069 31.803 31.700 0.056 0.000 0.835 308 T N -4.240 110.359 114.554 0.075 0.000 3.072 308 T HA 0.015 4.368 4.350 0.004 0.000 0.266 308 T C 0.710 175.462 174.700 0.087 0.000 1.127 308 T CA 0.235 62.376 62.100 0.069 0.000 1.107 308 T CB -0.837 68.075 68.868 0.074 0.000 0.910 308 T HN -0.173 nan 8.240 nan 0.000 0.513 309 V N 5.016 125.003 119.914 0.121 0.000 2.408 309 V HA 0.321 4.444 4.120 0.004 0.000 0.267 309 V C -2.022 174.095 176.094 0.038 0.000 1.047 309 V CA -2.304 60.089 62.300 0.156 0.000 0.937 309 V CB 0.824 32.811 31.823 0.273 0.000 0.999 309 V HN 0.347 nan 8.190 nan 0.000 0.472 310 P HA 0.134 nan 4.420 nan 0.000 0.267 310 P C -2.505 174.529 177.300 -0.443 0.000 1.209 310 P CA -1.382 61.566 63.100 -0.254 0.000 0.763 310 P CB 0.255 31.725 31.700 -0.382 0.000 0.816 311 P HA 0.176 nan 4.420 nan 0.000 0.237 311 P C -0.402 176.319 177.300 -0.965 0.000 1.788 311 P CA 0.068 62.241 63.100 -1.545 0.000 1.061 311 P CB -0.085 30.992 31.700 -1.039 0.000 1.967 312 L N 5.051 125.928 121.223 -0.577 0.000 2.288 312 L HA 0.321 4.663 4.340 0.004 0.000 0.283 312 L C -1.675 175.260 176.870 0.109 0.000 1.072 312 L CA -2.212 52.526 54.840 -0.171 0.000 0.862 312 L CB 0.687 42.701 42.059 -0.076 0.000 1.245 312 L HN 0.072 nan 8.230 nan 0.000 0.432 313 P HA -0.108 nan 4.420 nan 0.000 0.269 313 P C -0.450 176.991 177.300 0.235 0.000 1.217 313 P CA -0.232 63.029 63.100 0.268 0.000 0.783 313 P CB 0.535 32.343 31.700 0.179 0.000 0.898 314 F N 2.711 122.735 119.950 0.123 0.000 2.533 314 F HA 0.087 4.617 4.527 0.006 0.000 0.378 314 F C 1.068 176.914 175.800 0.078 0.000 1.070 314 F CA -0.054 57.998 58.000 0.086 0.000 1.172 314 F CB 0.211 39.244 39.000 0.054 0.000 1.085 314 F HN 0.139 nan 8.300 nan 0.000 0.552 315 R N 5.360 125.631 120.500 -0.382 0.000 2.891 315 R HA 0.014 4.356 4.340 0.004 0.000 0.248 315 R C 1.269 177.364 176.300 -0.342 0.000 1.439 315 R CA -0.077 55.873 56.100 -0.250 0.000 1.288 315 R CB 0.179 30.380 30.300 -0.165 0.000 1.212 315 R HN 0.752 nan 8.270 nan 0.000 0.605 316 E N 2.523 122.675 120.200 -0.081 0.000 2.114 316 E HA -0.281 4.072 4.350 0.004 0.000 0.199 316 E C 1.718 178.387 176.600 0.116 0.000 1.008 316 E CA 1.966 58.469 56.400 0.172 0.000 0.810 316 E CB 0.267 30.156 29.700 0.315 0.000 0.739 316 E HN 0.560 nan 8.360 nan 0.000 0.456 317 E N 0.169 120.395 120.200 0.044 0.000 2.204 317 E HA -0.138 4.215 4.350 0.004 0.000 0.194 317 E C 2.090 178.693 176.600 0.005 0.000 0.989 317 E CA 1.326 57.742 56.400 0.025 0.000 0.824 317 E CB -0.352 29.356 29.700 0.014 0.000 0.756 317 E HN 0.301 nan 8.360 nan 0.000 0.477 318 V N 0.847 120.750 119.914 -0.018 0.000 2.427 318 V HA -0.231 3.892 4.120 0.004 0.000 0.248 318 V C 2.333 178.449 176.094 0.037 0.000 1.051 318 V CA 1.758 64.050 62.300 -0.013 0.000 1.048 318 V CB -0.970 30.825 31.823 -0.047 0.000 0.666 318 V HN 0.264 nan 8.190 nan 0.000 0.456 319 Y N 2.198 122.446 120.300 -0.086 0.000 2.181 319 Y HA -0.155 4.397 4.550 0.004 0.000 0.288 319 Y C 2.411 178.343 175.900 0.053 0.000 1.146 319 Y CA 1.501 59.602 58.100 0.001 0.000 1.164 319 Y CB -0.194 38.308 38.460 0.069 0.000 0.982 319 Y HN 0.154 nan 8.280 nan 0.000 0.515 320 R N 0.447 120.833 120.500 -0.191 0.000 2.320 320 R HA 0.098 4.440 4.340 0.004 0.000 0.211 320 R C 0.995 177.221 176.300 -0.123 0.000 0.931 320 R CA 0.527 56.474 56.100 -0.255 0.000 1.071 320 R CB -0.369 29.864 30.300 -0.112 0.000 1.025 320 R HN 0.191 nan 8.270 nan 0.000 0.495 321 S N 0.579 116.237 115.700 -0.069 0.000 2.560 321 S HA 0.031 4.503 4.470 0.004 0.000 0.284 321 S C 0.845 175.434 174.600 -0.018 0.000 1.327 321 S CA -0.226 57.957 58.200 -0.028 0.000 1.055 321 S CB 0.959 64.155 63.200 -0.006 0.000 0.868 321 S HN 0.194 nan 8.310 nan 0.000 0.506 322 S N 3.527 119.225 115.700 -0.002 0.000 2.539 322 S HA 0.220 4.693 4.470 0.004 0.000 0.221 322 S C 0.495 175.118 174.600 0.038 0.000 0.987 322 S CA -0.405 57.806 58.200 0.019 0.000 0.929 322 S CB 0.079 63.279 63.200 0.001 0.000 0.832 322 S HN 0.668 nan 8.310 nan 0.000 0.492 323 R N 2.546 123.066 120.500 0.033 0.000 2.640 323 R HA 0.127 4.469 4.340 0.004 0.000 0.270 323 R C -2.623 173.729 176.300 0.086 0.000 1.024 323 R CA -0.974 55.147 56.100 0.034 0.000 1.085 323 R CB -0.476 29.836 30.300 0.020 0.000 0.963 323 R HN 0.109 nan 8.270 nan 0.000 0.426 324 P HA 0.046 nan 4.420 nan 0.000 0.270 324 P C -0.600 176.810 177.300 0.183 0.000 1.223 324 P CA 0.137 63.306 63.100 0.116 0.000 0.785 324 P CB 0.553 32.233 31.700 -0.033 0.000 0.923 325 L N 1.500 122.925 121.223 0.337 0.000 2.370 325 L HA 0.486 4.829 4.340 0.004 0.000 0.266 325 L C 0.564 177.408 176.870 -0.042 0.000 1.002 325 L CA -0.848 53.998 54.840 0.012 0.000 0.818 325 L CB 2.044 43.941 42.059 -0.270 0.000 1.325 325 L HN 0.193 nan 8.230 nan 0.000 0.418 326 R N 1.890 122.314 120.500 -0.126 0.000 2.196 326 R HA 0.448 4.791 4.340 0.004 0.000 0.340 326 R C -1.162 174.967 176.300 -0.285 0.000 1.043 326 R CA -0.465 55.542 56.100 -0.155 0.000 0.883 326 R CB 1.242 31.459 30.300 -0.139 0.000 1.078 326 R HN 0.257 nan 8.270 nan 0.000 0.462 327 V N 3.119 122.883 119.914 -0.250 0.000 2.313 327 V HA 0.312 4.435 4.120 0.004 0.000 0.278 327 V C 0.806 176.797 176.094 -0.172 0.000 1.017 327 V CA -0.902 61.200 62.300 -0.330 0.000 0.823 327 V CB 1.454 33.104 31.823 -0.290 0.000 1.010 327 V HN 0.921 nan 8.190 nan 0.000 0.443 328 G N 4.165 112.778 108.800 -0.312 0.000 2.491 328 G HA2 0.439 4.402 3.960 0.004 0.000 0.242 328 G HA3 0.439 4.402 3.960 0.004 0.000 0.242 328 G C -0.872 174.079 174.900 0.085 0.000 1.266 328 G CA 0.047 45.037 45.100 -0.182 0.000 0.844 328 G HN 0.962 nan 8.290 nan 0.000 0.571 329 Y N 0.059 120.417 120.300 0.098 0.000 2.571 329 Y HA 0.691 5.244 4.550 0.004 0.000 0.341 329 Y C -1.317 174.749 175.900 0.277 0.000 1.076 329 Y CA -2.116 56.049 58.100 0.108 0.000 1.029 329 Y CB 1.297 39.788 38.460 0.051 0.000 1.308 329 Y HN 0.816 nan 8.280 nan 0.000 0.461 330 Y N -0.544 119.889 120.300 0.223 0.000 2.581 330 Y HA 0.687 5.239 4.550 0.004 0.000 0.345 330 Y C -0.194 175.884 175.900 0.296 0.000 1.036 330 Y CA -1.387 56.816 58.100 0.172 0.000 1.042 330 Y CB 2.027 40.572 38.460 0.143 0.000 1.289 330 Y HN 0.723 nan 8.280 nan 0.000 0.471 331 E N 0.190 120.645 120.200 0.424 0.000 2.431 331 E HA 0.126 4.479 4.350 0.004 0.000 0.200 331 E C -0.168 176.649 176.600 0.361 0.000 0.995 331 E CA 0.601 57.187 56.400 0.310 0.000 0.915 331 E CB 0.922 30.781 29.700 0.265 0.000 0.930 331 E HN 0.649 nan 8.360 nan 0.000 0.496 332 T N 0.131 114.983 114.554 0.497 0.000 2.889 332 T HA 0.094 4.447 4.350 0.004 0.000 0.315 332 T C -1.172 173.860 174.700 0.552 0.000 1.291 332 T CA -0.736 61.715 62.100 0.586 0.000 1.028 332 T CB 1.495 70.638 68.868 0.458 0.000 1.235 332 T HN -0.002 nan 8.240 nan 0.000 0.491 333 D N 1.747 122.442 120.400 0.492 0.000 2.349 333 D HA 0.124 4.767 4.640 0.004 0.000 0.214 333 D C 0.582 176.897 176.300 0.025 0.000 1.063 333 D CA -0.126 53.928 54.000 0.090 0.000 0.847 333 D CB -0.822 39.925 40.800 -0.089 0.000 0.933 333 D HN 0.815 nan 8.370 nan 0.000 0.513 334 N N -1.627 117.095 118.700 0.035 0.000 2.708 334 N HA -0.319 4.423 4.740 0.004 0.000 0.251 334 N C -0.374 175.090 175.510 -0.077 0.000 1.123 334 N CA 0.900 53.759 53.050 -0.318 0.000 0.739 334 N CB -1.306 36.981 38.487 -0.333 0.000 1.113 334 N HN 0.391 nan 8.380 nan 0.000 0.561 335 Y N -0.453 119.940 120.300 0.157 0.000 2.886 335 Y HA 0.219 4.772 4.550 0.004 0.000 0.244 335 Y C 0.582 176.802 175.900 0.533 0.000 1.017 335 Y CA 0.597 58.912 58.100 0.358 0.000 1.389 335 Y CB 0.852 39.386 38.460 0.124 0.000 1.477 335 Y HN -0.081 nan 8.280 nan 0.000 0.466 336 T N 3.403 118.244 114.554 0.479 0.000 2.733 336 T HA 0.257 4.610 4.350 0.004 0.000 0.294 336 T C -0.382 174.609 174.700 0.485 0.000 0.956 336 T CA -0.456 61.901 62.100 0.429 0.000 0.987 336 T CB 0.628 69.730 68.868 0.391 0.000 0.920 336 T HN 0.229 nan 8.240 nan 0.000 0.470 337 M N 7.117 126.794 119.600 0.128 0.000 2.268 337 M HA 0.175 4.658 4.480 0.004 0.000 0.349 337 M C -2.037 174.445 176.300 0.302 0.000 1.485 337 M CA -1.385 53.832 55.300 -0.139 0.000 1.094 337 M CB 0.628 32.676 32.600 -0.921 0.000 1.843 337 M HN 0.249 nan 8.290 nan 0.000 0.460 338 P HA 0.090 nan 4.420 nan 0.000 0.272 338 P C -0.944 176.552 177.300 0.326 0.000 1.230 338 P CA -0.291 62.992 63.100 0.305 0.000 0.788 338 P CB 0.479 32.298 31.700 0.198 0.000 0.949 339 S N 1.514 117.350 115.700 0.226 0.000 2.593 339 S HA 0.193 4.666 4.470 0.004 0.000 0.269 339 S C -1.688 172.980 174.600 0.114 0.000 1.334 339 S CA -0.876 57.416 58.200 0.153 0.000 1.015 339 S CB -0.325 62.881 63.200 0.010 0.000 0.912 339 S HN 0.271 nan 8.310 nan 0.000 0.541 340 P HA -0.085 nan 4.420 nan 0.000 0.216 340 P C 1.598 178.914 177.300 0.027 0.000 1.153 340 P CA 1.972 65.109 63.100 0.060 0.000 0.858 340 P CB -0.270 31.459 31.700 0.048 0.000 0.789 341 A N -1.193 121.629 122.820 0.004 0.000 1.902 341 A HA -0.205 4.118 4.320 0.004 0.000 0.217 341 A C 2.233 179.805 177.584 -0.020 0.000 1.181 341 A CA 1.876 53.901 52.037 -0.020 0.000 0.623 341 A CB -1.443 17.530 19.000 -0.044 0.000 0.818 341 A HN 0.102 nan 8.150 nan 0.000 0.443 342 M N -1.467 118.126 119.600 -0.012 0.000 2.080 342 M HA -0.181 4.301 4.480 0.004 0.000 0.260 342 M C 2.458 178.746 176.300 -0.019 0.000 1.068 342 M CA 2.084 57.367 55.300 -0.027 0.000 1.109 342 M CB -0.279 32.306 32.600 -0.026 0.000 1.342 342 M HN 0.477 nan 8.290 nan 0.000 0.405 343 R N 0.031 120.542 120.500 0.018 0.000 2.081 343 R HA -0.158 4.185 4.340 0.004 0.000 0.235 343 R C 2.316 178.629 176.300 0.021 0.000 1.131 343 R CA 1.636 57.759 56.100 0.039 0.000 0.960 343 R CB -0.199 30.144 30.300 0.072 0.000 0.856 343 R HN 0.260 nan 8.270 nan 0.000 0.436 344 R N 0.027 120.533 120.500 0.011 0.000 2.081 344 R HA -0.121 4.222 4.340 0.004 0.000 0.235 344 R C 2.085 178.374 176.300 -0.019 0.000 1.131 344 R CA 1.514 57.613 56.100 -0.002 0.000 0.960 344 R CB -0.300 29.997 30.300 -0.005 0.000 0.856 344 R HN 0.303 nan 8.270 nan 0.000 0.436 345 A N 1.690 124.493 122.820 -0.029 0.000 1.883 345 A HA -0.187 4.136 4.320 0.004 0.000 0.217 345 A C 2.124 179.679 177.584 -0.048 0.000 1.186 345 A CA 1.312 53.323 52.037 -0.044 0.000 0.624 345 A CB -0.732 18.234 19.000 -0.055 0.000 0.822 345 A HN 0.405 nan 8.150 nan 0.000 0.444 346 L N 0.020 121.218 121.223 -0.041 0.000 1.994 346 L HA -0.125 4.217 4.340 0.004 0.000 0.208 346 L C 2.378 179.220 176.870 -0.047 0.000 1.071 346 L CA 2.113 56.929 54.840 -0.040 0.000 0.745 346 L CB -0.977 41.075 42.059 -0.012 0.000 0.892 346 L HN 0.478 nan 8.230 nan 0.000 0.431 347 I N 0.060 120.612 120.570 -0.031 0.000 2.226 347 I HA -0.318 3.855 4.170 0.004 0.000 0.245 347 I C 2.491 178.572 176.117 -0.059 0.000 1.100 347 I CA 1.284 62.556 61.300 -0.048 0.000 1.374 347 I CB -0.245 37.748 38.000 -0.012 0.000 1.057 347 I HN 0.354 nan 8.210 nan 0.000 0.413 348 E N 0.270 120.444 120.200 -0.042 0.000 2.077 348 E HA -0.179 4.174 4.350 0.004 0.000 0.193 348 E C 2.159 178.733 176.600 -0.044 0.000 0.989 348 E CA 1.850 58.227 56.400 -0.039 0.000 0.800 348 E CB -0.131 29.551 29.700 -0.031 0.000 0.746 348 E HN 0.479 nan 8.360 nan 0.000 0.452 349 T N 1.329 115.852 114.554 -0.052 0.000 2.737 349 T HA -0.175 4.177 4.350 0.004 0.000 0.265 349 T C 1.802 176.473 174.700 -0.049 0.000 1.038 349 T CA 1.249 63.318 62.100 -0.050 0.000 1.144 349 T CB -0.120 68.708 68.868 -0.067 0.000 0.866 349 T HN 0.126 nan 8.240 nan 0.000 0.434 350 K N 1.016 121.360 120.400 -0.092 0.000 2.020 350 K HA -0.228 4.095 4.320 0.004 0.000 0.212 350 K C 2.362 178.894 176.600 -0.114 0.000 1.050 350 K CA 1.674 57.864 56.287 -0.161 0.000 0.929 350 K CB -0.164 32.131 32.500 -0.342 0.000 0.714 350 K HN 0.399 nan 8.250 nan 0.000 0.443 351 Q N -0.142 119.604 119.800 -0.090 0.000 2.050 351 Q HA -0.111 4.232 4.340 0.004 0.000 0.202 351 Q C 2.315 178.302 176.000 -0.023 0.000 0.980 351 Q CA 1.392 57.162 55.803 -0.055 0.000 0.840 351 Q CB -0.052 28.659 28.738 -0.044 0.000 0.898 351 Q HN 0.277 nan 8.270 nan 0.000 0.424 352 R N 0.326 120.818 120.500 -0.013 0.000 2.096 352 R HA -0.105 4.237 4.340 0.004 0.000 0.235 352 R C 2.276 178.604 176.300 0.046 0.000 1.127 352 R CA 0.958 57.064 56.100 0.010 0.000 0.968 352 R CB -0.336 29.968 30.300 0.007 0.000 0.861 352 R HN 0.296 nan 8.270 nan 0.000 0.440 353 L N 0.510 121.772 121.223 0.066 0.000 2.093 353 L HA -0.153 4.189 4.340 0.004 0.000 0.208 353 L C 2.255 179.211 176.870 0.144 0.000 1.085 353 L CA 1.365 56.304 54.840 0.164 0.000 0.755 353 L CB -0.335 41.812 42.059 0.146 0.000 0.904 353 L HN 0.195 nan 8.230 nan 0.000 0.435 354 E N 0.168 120.399 120.200 0.052 0.000 2.077 354 E HA -0.211 4.142 4.350 0.004 0.000 0.193 354 E C 2.317 178.919 176.600 0.003 0.000 0.989 354 E CA 1.140 57.553 56.400 0.021 0.000 0.800 354 E CB -0.175 29.519 29.700 -0.010 0.000 0.746 354 E HN 0.497 nan 8.360 nan 0.000 0.452 355 A N 1.301 124.122 122.820 0.002 0.000 1.972 355 A HA -0.044 4.278 4.320 0.004 0.000 0.219 355 A C 2.254 179.825 177.584 -0.022 0.000 1.169 355 A CA 1.427 53.459 52.037 -0.009 0.000 0.635 355 A CB -0.356 18.641 19.000 -0.005 0.000 0.810 355 A HN 0.262 nan 8.150 nan 0.000 0.446 356 A N -1.793 121.021 122.820 -0.011 0.000 2.235 356 A HA 0.406 4.729 4.320 0.004 0.000 0.208 356 A C 1.706 179.164 177.584 -0.211 0.000 1.172 356 A CA 1.196 53.198 52.037 -0.058 0.000 0.786 356 A CB -0.917 18.102 19.000 0.032 0.000 0.804 356 A HN 1.856 nan 8.150 nan 0.000 0.479 357 G N -1.391 107.308 108.800 -0.167 0.000 2.141 357 G HA2 -0.186 3.777 3.960 0.004 0.000 0.231 357 G HA3 -0.186 3.777 3.960 0.004 0.000 0.231 357 G C 0.016 174.766 174.900 -0.249 0.000 0.984 357 G CA 0.145 45.125 45.100 -0.200 0.000 0.660 357 G HN 0.664 nan 8.290 nan 0.000 0.525 358 H N 0.533 119.593 119.070 -0.016 0.000 2.505 358 H HA 0.493 5.051 4.556 0.004 0.000 0.351 358 H C 0.108 175.417 175.328 -0.032 0.000 1.151 358 H CA 0.636 56.666 56.048 -0.030 0.000 1.339 358 H CB 1.089 30.834 29.762 -0.029 0.000 1.483 358 H HN 0.117 nan 8.280 nan 0.000 0.558 359 T N 4.145 118.750 114.554 0.086 0.000 2.744 359 T HA 0.236 4.589 4.350 0.004 0.000 0.291 359 T C 0.416 175.136 174.700 0.034 0.000 0.957 359 T CA -0.718 61.404 62.100 0.038 0.000 1.002 359 T CB 0.391 69.266 68.868 0.012 0.000 0.919 359 T HN 0.124 nan 8.240 nan 0.000 0.468 360 L N 4.949 126.209 121.223 0.062 0.000 2.287 360 L HA 0.581 4.924 4.340 0.004 0.000 0.287 360 L C -0.330 176.690 176.870 0.251 0.000 1.022 360 L CA -0.448 54.468 54.840 0.125 0.000 0.814 360 L CB 1.133 43.198 42.059 0.010 0.000 1.217 360 L HN 0.655 nan 8.230 nan 0.000 0.420 361 I N 5.219 125.955 120.570 0.276 0.000 2.466 361 I HA 0.346 4.518 4.170 0.004 0.000 0.289 361 I C -2.309 173.811 176.117 0.004 0.000 1.026 361 I CA -1.956 59.430 61.300 0.143 0.000 1.078 361 I CB 2.375 40.390 38.000 0.025 0.000 1.249 361 I HN 0.337 nan 8.210 nan 0.000 0.429 362 P HA 0.177 nan 4.420 nan 0.000 0.268 362 P C -1.111 176.150 177.300 -0.065 0.000 1.204 362 P CA 0.187 63.031 63.100 -0.427 0.000 0.768 362 P CB 0.276 31.820 31.700 -0.261 0.000 0.842 363 F N 4.216 124.036 119.950 -0.216 0.000 2.622 363 F HA 0.537 5.065 4.527 0.002 0.000 0.318 363 F C -2.202 173.613 175.800 0.024 0.000 1.135 363 F CA -0.941 57.019 58.000 -0.068 0.000 1.015 363 F CB 1.333 40.298 39.000 -0.059 0.000 1.275 363 F HN 0.087 nan 8.300 nan 0.000 0.457 364 L N 8.206 129.064 121.223 -0.609 0.000 2.441 364 L HA 0.667 5.009 4.340 0.004 0.000 0.270 364 L C -2.598 173.881 176.870 -0.652 0.000 0.973 364 L CA -1.977 52.541 54.840 -0.537 0.000 0.842 364 L CB 1.675 43.500 42.059 -0.391 0.000 1.239 364 L HN 0.342 nan 8.230 nan 0.000 0.406 365 P HA 0.046 nan 4.420 nan 0.000 0.263 365 P C -1.033 176.165 177.300 -0.170 0.000 1.175 365 P CA 0.239 63.216 63.100 -0.205 0.000 0.761 365 P CB 0.169 31.877 31.700 0.014 0.000 0.794 366 N N 2.095 120.726 118.700 -0.116 0.000 2.453 366 N HA -0.017 4.725 4.740 0.004 0.000 0.253 366 N C 0.048 175.635 175.510 0.128 0.000 1.252 366 N CA -0.285 52.746 53.050 -0.032 0.000 0.917 366 N CB -0.210 38.261 38.487 -0.026 0.000 1.117 366 N HN 0.265 nan 8.380 nan 0.000 0.442 367 N N -0.040 118.707 118.700 0.078 0.000 2.725 367 N HA -0.197 4.545 4.740 0.004 0.000 0.251 367 N C 0.297 175.852 175.510 0.076 0.000 1.031 367 N CA 0.640 53.758 53.050 0.113 0.000 0.720 367 N CB -0.879 37.715 38.487 0.180 0.000 0.930 367 N HN 0.650 nan 8.380 nan 0.000 0.543 368 I N 0.458 121.025 120.570 -0.006 0.000 2.163 368 I HA -0.213 3.960 4.170 0.004 0.000 0.243 368 I C -0.534 175.473 176.117 -0.185 0.000 1.085 368 I CA 1.494 62.722 61.300 -0.121 0.000 1.347 368 I CB -0.911 36.996 38.000 -0.155 0.000 1.044 368 I HN 0.191 nan 8.210 nan 0.000 0.408 369 P HA -0.231 nan 4.420 nan 0.000 0.215 369 P C 1.595 178.885 177.300 -0.016 0.000 1.153 369 P CA 1.490 64.594 63.100 0.008 0.000 0.853 369 P CB -0.163 31.664 31.700 0.212 0.000 0.788 370 Y N 0.834 121.059 120.300 -0.124 0.000 2.145 370 Y HA -0.170 4.383 4.550 0.005 0.000 0.286 370 Y C 2.321 178.052 175.900 -0.282 0.000 1.145 370 Y CA 1.718 59.725 58.100 -0.155 0.000 1.148 370 Y CB -1.098 37.283 38.460 -0.131 0.000 0.981 370 Y HN -0.122 nan 8.280 nan 0.000 0.507 371 A N 0.282 122.782 122.820 -0.534 0.000 1.933 371 A HA -0.114 4.208 4.320 0.004 0.000 0.218 371 A C 2.242 179.513 177.584 -0.521 0.000 1.175 371 A CA 1.883 53.436 52.037 -0.806 0.000 0.628 371 A CB -0.965 17.463 19.000 -0.953 0.000 0.814 371 A HN 0.575 nan 8.150 nan 0.000 0.444 372 L N -1.474 119.503 121.223 -0.409 0.000 2.102 372 L HA -0.043 4.300 4.340 0.004 0.000 0.202 372 L C 2.510 179.271 176.870 -0.181 0.000 1.076 372 L CA 1.192 55.834 54.840 -0.329 0.000 0.761 372 L CB -0.455 41.309 42.059 -0.492 0.000 0.921 372 L HN 0.387 nan 8.230 nan 0.000 0.444 373 E N -0.494 119.625 120.200 -0.134 0.000 2.122 373 E HA -0.088 4.265 4.350 0.004 0.000 0.190 373 E C 2.139 178.732 176.600 -0.011 0.000 0.977 373 E CA 0.797 57.207 56.400 0.016 0.000 0.820 373 E CB 0.287 30.037 29.700 0.083 0.000 0.770 373 E HN 0.217 nan 8.360 nan 0.000 0.462 374 V N 0.844 120.673 119.914 -0.142 0.000 2.581 374 V HA -0.070 4.053 4.120 0.004 0.000 0.240 374 V C 2.049 178.006 176.094 -0.227 0.000 1.054 374 V CA 0.879 63.079 62.300 -0.167 0.000 1.076 374 V CB -0.142 31.566 31.823 -0.191 0.000 0.748 374 V HN 0.172 nan 8.190 nan 0.000 0.474 375 L N -0.465 120.523 121.223 -0.391 0.000 2.130 375 L HA 0.011 4.354 4.340 0.004 0.000 0.200 375 L C 2.594 179.345 176.870 -0.198 0.000 1.075 375 L CA 1.141 55.778 54.840 -0.339 0.000 0.768 375 L CB -0.662 41.092 42.059 -0.508 0.000 0.933 375 L HN 0.245 nan 8.230 nan 0.000 0.451 376 S N -0.305 115.275 115.700 -0.200 0.000 2.355 376 S HA -0.151 4.321 4.470 0.004 0.000 0.222 376 S C 2.026 176.618 174.600 -0.013 0.000 1.031 376 S CA 1.876 60.006 58.200 -0.117 0.000 0.993 376 S CB -0.354 62.762 63.200 -0.139 0.000 0.859 376 S HN 0.385 nan 8.310 nan 0.000 0.453 377 T N 1.697 116.290 114.554 0.064 0.000 2.708 377 T HA -0.041 4.312 4.350 0.004 0.000 0.266 377 T C 2.103 176.933 174.700 0.217 0.000 1.037 377 T CA 1.377 63.630 62.100 0.256 0.000 1.146 377 T CB -0.930 68.120 68.868 0.304 0.000 0.865 377 T HN 0.541 nan 8.240 nan 0.000 0.435 378 G N 0.847 109.699 108.800 0.087 0.000 2.422 378 G HA2 -0.055 3.907 3.960 0.004 0.000 0.218 378 G HA3 -0.055 3.907 3.960 0.004 0.000 0.218 378 G C 1.700 176.621 174.900 0.034 0.000 1.146 378 G CA 0.978 46.114 45.100 0.060 0.000 0.769 378 G HN 0.570 nan 8.290 nan 0.000 0.547 379 G N 0.761 109.555 108.800 -0.010 0.000 2.402 379 G HA2 -0.103 3.860 3.960 0.004 0.000 0.216 379 G HA3 -0.103 3.860 3.960 0.004 0.000 0.216 379 G C 1.743 176.599 174.900 -0.073 0.000 1.162 379 G CA 0.630 45.710 45.100 -0.033 0.000 0.777 379 G HN 0.428 nan 8.290 nan 0.000 0.539 380 L N -1.180 119.960 121.223 -0.138 0.000 2.270 380 L HA 0.262 4.604 4.340 0.004 0.000 0.210 380 L C 1.035 177.555 176.870 -0.582 0.000 1.104 380 L CA 0.346 54.967 54.840 -0.366 0.000 0.804 380 L CB 0.092 41.879 42.059 -0.453 0.000 0.937 380 L HN 0.112 nan 8.230 nan 0.000 0.450 381 F N -1.670 118.255 119.950 -0.042 0.000 2.850 381 F HA 0.210 4.740 4.527 0.004 0.000 0.329 381 F C 1.820 177.585 175.800 -0.058 0.000 1.182 381 F CA -0.257 57.691 58.000 -0.086 0.000 1.270 381 F CB -0.135 38.791 39.000 -0.124 0.000 0.979 381 F HN -0.171 nan 8.300 nan 0.000 0.506 382 S N 0.112 115.854 115.700 0.069 0.000 2.400 382 S HA -0.208 4.265 4.470 0.004 0.000 0.232 382 S C 1.565 176.193 174.600 0.047 0.000 1.025 382 S CA 1.825 60.056 58.200 0.051 0.000 0.993 382 S CB -0.254 62.965 63.200 0.031 0.000 0.808 382 S HN 0.595 nan 8.310 nan 0.000 0.478 383 D N -0.049 120.382 120.400 0.052 0.000 2.395 383 D HA 0.252 4.895 4.640 0.004 0.000 0.226 383 D C 1.116 177.449 176.300 0.055 0.000 1.146 383 D CA 0.462 54.489 54.000 0.046 0.000 0.830 383 D CB -0.587 40.240 40.800 0.044 0.000 0.958 383 D HN 0.340 nan 8.370 nan 0.000 0.501 384 G N -0.167 108.671 108.800 0.063 0.000 2.189 384 G HA2 -0.240 3.723 3.960 0.004 0.000 0.267 384 G HA3 -0.240 3.723 3.960 0.004 0.000 0.267 384 G C 1.205 176.138 174.900 0.054 0.000 0.975 384 G CA 0.507 45.622 45.100 0.026 0.000 0.644 384 G HN 1.465 nan 8.290 nan 0.000 0.537 385 G N -1.134 107.760 108.800 0.155 0.000 2.175 385 G HA2 -0.300 3.663 3.960 0.004 0.000 0.244 385 G HA3 -0.300 3.663 3.960 0.004 0.000 0.244 385 G C 0.995 176.004 174.900 0.182 0.000 0.982 385 G CA 1.151 46.384 45.100 0.221 0.000 0.641 385 G HN 0.908 nan 8.290 nan 0.000 0.527 386 R N 0.683 121.247 120.500 0.106 0.000 2.083 386 R HA -0.062 4.281 4.340 0.004 0.000 0.237 386 R C 2.836 179.192 176.300 0.092 0.000 1.137 386 R CA 2.250 58.398 56.100 0.079 0.000 0.951 386 R CB -0.341 29.988 30.300 0.049 0.000 0.851 386 R HN 0.452 nan 8.270 nan 0.000 0.434 387 S N 0.274 116.035 115.700 0.101 0.000 2.368 387 S HA -0.167 4.305 4.470 0.004 0.000 0.225 387 S C 1.495 176.168 174.600 0.121 0.000 1.030 387 S CA 1.255 59.511 58.200 0.093 0.000 0.999 387 S CB -0.399 62.852 63.200 0.084 0.000 0.844 387 S HN 0.330 nan 8.310 nan 0.000 0.459 388 F N 2.496 122.446 119.950 0.000 0.000 2.095 388 F HA -0.049 4.481 4.527 0.005 0.000 0.298 388 F C 1.801 177.681 175.800 0.133 0.000 1.104 388 F CA 1.214 59.222 58.000 0.014 0.000 1.232 388 F CB -0.514 38.444 39.000 -0.071 0.000 0.987 388 F HN 0.075 nan 8.300 nan 0.000 0.475 389 L N 0.086 121.352 121.223 0.073 0.000 2.191 389 L HA -0.214 4.128 4.340 0.004 0.000 0.212 389 L C 2.443 179.339 176.870 0.044 0.000 1.103 389 L CA 0.696 55.550 54.840 0.023 0.000 0.769 389 L CB -0.699 41.383 42.059 0.040 0.000 0.908 389 L HN 0.209 nan 8.230 nan 0.000 0.438 390 Q N -0.153 119.655 119.800 0.015 0.000 2.226 390 Q HA -0.144 4.199 4.340 0.004 0.000 0.204 390 Q C 1.797 177.767 176.000 -0.050 0.000 0.975 390 Q CA 1.002 56.803 55.803 -0.004 0.000 0.866 390 Q CB -0.490 28.250 28.738 0.003 0.000 0.915 390 Q HN 0.597 nan 8.270 nan 0.000 0.440 391 N N -0.227 118.400 118.700 -0.122 0.000 2.381 391 N HA -0.087 4.655 4.740 0.004 0.000 0.182 391 N C 0.908 176.169 175.510 -0.415 0.000 1.025 391 N CA 0.770 53.649 53.050 -0.286 0.000 0.888 391 N CB -0.082 38.141 38.487 -0.440 0.000 0.965 391 N HN 0.267 nan 8.380 nan 0.000 0.438 392 F N 0.997 120.824 119.950 -0.206 0.000 2.727 392 F HA 0.215 4.744 4.527 0.004 0.000 0.302 392 F C 0.782 176.507 175.800 -0.124 0.000 1.097 392 F CA -0.216 57.685 58.000 -0.165 0.000 1.330 392 F CB 0.311 39.200 39.000 -0.185 0.000 1.084 392 F HN -0.350 nan 8.300 nan 0.000 0.578 393 K N 0.799 121.212 120.400 0.022 0.000 2.436 393 K HA 0.228 4.551 4.320 0.004 0.000 0.282 393 K C 1.173 177.744 176.600 -0.049 0.000 1.044 393 K CA 0.827 57.108 56.287 -0.010 0.000 1.028 393 K CB 0.120 32.608 32.500 -0.021 0.000 0.919 393 K HN 0.377 nan 8.250 nan 0.000 0.474 394 G N 2.472 111.234 108.800 -0.064 0.000 2.148 394 G HA2 -0.236 3.726 3.960 0.004 0.000 0.254 394 G HA3 -0.236 3.726 3.960 0.004 0.000 0.254 394 G C -0.191 174.602 174.900 -0.179 0.000 0.981 394 G CA 0.270 45.301 45.100 -0.114 0.000 0.670 394 G HN 0.647 nan 8.290 nan 0.000 0.528 395 D N -0.799 119.518 120.400 -0.139 0.000 2.299 395 D HA 0.648 5.291 4.640 0.004 0.000 0.243 395 D C 0.595 176.806 176.300 -0.149 0.000 0.982 395 D CA -0.861 53.041 54.000 -0.163 0.000 0.924 395 D CB 0.651 41.404 40.800 -0.077 0.000 1.238 395 D HN -0.022 nan 8.370 nan 0.000 0.484 396 F N 0.143 120.112 119.950 0.033 0.000 2.496 396 F HA 0.208 4.738 4.527 0.004 0.000 0.344 396 F C 0.737 176.605 175.800 0.113 0.000 1.155 396 F CA -0.349 57.680 58.000 0.048 0.000 1.302 396 F CB 0.652 39.665 39.000 0.021 0.000 1.159 396 F HN -0.090 nan 8.300 nan 0.000 0.595 397 V N 2.372 122.472 119.914 0.311 0.000 2.328 397 V HA 0.076 4.198 4.120 0.004 0.000 0.278 397 V C -0.012 176.191 176.094 0.182 0.000 1.021 397 V CA -0.981 61.461 62.300 0.237 0.000 0.838 397 V CB 1.027 32.907 31.823 0.095 0.000 0.999 397 V HN 0.671 nan 8.190 nan 0.000 0.447 398 D N 6.701 127.212 120.400 0.184 0.000 2.488 398 D HA 0.056 4.698 4.640 0.004 0.000 0.238 398 D C -1.482 174.863 176.300 0.075 0.000 1.138 398 D CA -1.075 52.991 54.000 0.109 0.000 0.873 398 D CB 2.118 42.984 40.800 0.109 0.000 1.183 398 D HN 0.242 nan 8.370 nan 0.000 0.458 399 P HA -0.135 nan 4.420 nan 0.000 0.218 399 P C 1.594 178.904 177.300 0.017 0.000 1.146 399 P CA 0.805 63.918 63.100 0.022 0.000 0.813 399 P CB -0.159 31.543 31.700 0.003 0.000 0.778 400 C N -2.124 117.187 119.300 0.018 0.000 2.430 400 C HA 0.012 4.475 4.460 0.004 0.000 0.288 400 C C 2.230 177.225 174.990 0.008 0.000 1.448 400 C CA 0.100 59.117 59.018 -0.002 0.000 1.784 400 C CB -2.177 25.562 27.740 -0.002 0.000 1.776 400 C HN 0.106 nan 8.230 nan 0.000 0.547 401 L N 1.244 122.500 121.223 0.055 0.000 2.599 401 L HA 0.288 4.630 4.340 0.004 0.000 0.230 401 L C 2.098 179.002 176.870 0.057 0.000 1.141 401 L CA 0.592 55.483 54.840 0.086 0.000 0.877 401 L CB -1.044 41.095 42.059 0.134 0.000 1.009 401 L HN 0.716 nan 8.230 nan 0.000 0.447 402 G N 0.933 109.750 108.800 0.029 0.000 2.583 402 G HA2 -0.348 3.615 3.960 0.004 0.000 0.292 402 G HA3 -0.348 3.615 3.960 0.004 0.000 0.292 402 G C 0.310 175.231 174.900 0.035 0.000 1.203 402 G CA 0.397 45.512 45.100 0.026 0.000 0.987 402 G HN 0.325 nan 8.290 nan 0.000 0.554 403 D N 0.549 120.980 120.400 0.052 0.000 2.340 403 D HA 0.173 4.815 4.640 0.004 0.000 0.217 403 D C 2.336 178.667 176.300 0.052 0.000 1.081 403 D CA 0.246 54.274 54.000 0.047 0.000 0.842 403 D CB 0.447 41.282 40.800 0.059 0.000 0.934 403 D HN 0.249 nan 8.370 nan 0.000 0.511 404 L N 1.090 122.360 121.223 0.078 0.000 1.990 404 L HA -0.209 4.134 4.340 0.004 0.000 0.213 404 L C 1.848 178.718 176.870 0.000 0.000 1.072 404 L CA 1.629 56.525 54.840 0.093 0.000 0.755 404 L CB -0.335 41.833 42.059 0.183 0.000 0.889 404 L HN -0.071 nan 8.230 nan 0.000 0.432 405 I N -0.758 119.773 120.570 -0.065 0.000 2.315 405 I HA -0.249 3.923 4.170 0.004 0.000 0.248 405 I C 2.563 178.603 176.117 -0.129 0.000 1.117 405 I CA 1.364 62.554 61.300 -0.184 0.000 1.404 405 I CB -1.415 36.336 38.000 -0.414 0.000 1.071 405 I HN 0.379 nan 8.210 nan 0.000 0.419 406 L N 0.585 121.758 121.223 -0.084 0.000 2.046 406 L HA -0.182 4.161 4.340 0.004 0.000 0.208 406 L C 2.511 179.343 176.870 -0.064 0.000 1.077 406 L CA 1.577 56.378 54.840 -0.065 0.000 0.747 406 L CB -0.142 41.895 42.059 -0.036 0.000 0.896 406 L HN 0.045 nan 8.230 nan 0.000 0.432 407 I N -0.452 120.089 120.570 -0.049 0.000 2.252 407 I HA -0.317 3.856 4.170 0.004 0.000 0.245 407 I C 2.294 178.332 176.117 -0.131 0.000 1.102 407 I CA 1.214 62.474 61.300 -0.066 0.000 1.385 407 I CB -0.204 37.774 38.000 -0.036 0.000 1.064 407 I HN 0.271 nan 8.210 nan 0.000 0.414 408 L N 0.025 121.158 121.223 -0.149 0.000 2.191 408 L HA -0.154 4.189 4.340 0.004 0.000 0.212 408 L C 2.424 179.226 176.870 -0.113 0.000 1.103 408 L CA 1.159 55.900 54.840 -0.164 0.000 0.769 408 L CB -0.506 41.489 42.059 -0.107 0.000 0.908 408 L HN 0.154 nan 8.230 nan 0.000 0.438 409 R N -0.240 120.200 120.500 -0.100 0.000 2.307 409 R HA 0.093 4.436 4.340 0.004 0.000 0.199 409 R C 0.358 176.592 176.300 -0.111 0.000 1.000 409 R CA 0.065 56.111 56.100 -0.091 0.000 1.023 409 R CB -0.111 30.136 30.300 -0.088 0.000 0.908 409 R HN 0.268 nan 8.270 nan 0.000 0.473 410 L N 2.078 123.226 121.223 -0.126 0.000 2.417 410 L HA 0.205 4.547 4.340 0.004 0.000 0.268 410 L C -2.040 174.721 176.870 -0.182 0.000 1.158 410 L CA -2.131 52.610 54.840 -0.165 0.000 0.819 410 L CB 0.158 42.167 42.059 -0.083 0.000 1.112 410 L HN -0.183 nan 8.230 nan 0.000 0.458 411 P HA 0.074 nan 4.420 nan 0.000 0.275 411 P C 0.399 177.528 177.300 -0.285 0.000 1.228 411 P CA -0.319 62.623 63.100 -0.263 0.000 0.786 411 P CB 1.171 32.674 31.700 -0.329 0.000 0.927 412 S N 2.099 117.740 115.700 -0.097 0.000 2.392 412 S HA -0.147 4.326 4.470 0.004 0.000 0.232 412 S C 1.449 176.050 174.600 0.002 0.000 1.041 412 S CA 1.441 59.620 58.200 -0.036 0.000 1.026 412 S CB -0.703 62.518 63.200 0.035 0.000 0.845 412 S HN 0.679 nan 8.310 nan 0.000 0.465 413 W N -0.122 121.206 121.300 0.047 0.000 2.381 413 W HA -0.104 4.559 4.660 0.004 0.000 0.301 413 W C 1.899 178.463 176.519 0.074 0.000 1.205 413 W CA 0.623 57.997 57.345 0.050 0.000 1.285 413 W CB -1.391 28.102 29.460 0.055 0.000 1.133 413 W HN 0.379 nan 8.180 nan 0.000 0.521 414 F N 2.694 122.099 119.950 -0.908 0.000 2.325 414 F HA -0.020 4.510 4.527 0.005 0.000 0.299 414 F C 2.454 178.038 175.800 -0.361 0.000 1.090 414 F CA 1.875 59.381 58.000 -0.822 0.000 1.392 414 F CB -0.210 37.994 39.000 -1.326 0.000 1.053 414 F HN -0.274 nan 8.300 nan 0.000 0.521 415 K N 0.046 120.309 120.400 -0.228 0.000 2.002 415 K HA -0.218 4.105 4.320 0.004 0.000 0.209 415 K C 2.259 178.749 176.600 -0.184 0.000 1.048 415 K CA 1.610 57.777 56.287 -0.200 0.000 0.930 415 K CB -0.397 32.010 32.500 -0.155 0.000 0.714 415 K HN 0.165 nan 8.250 nan 0.000 0.438 416 R N 1.096 121.533 120.500 -0.105 0.000 2.103 416 R HA -0.199 4.144 4.340 0.004 0.000 0.242 416 R C 2.341 178.601 176.300 -0.067 0.000 1.142 416 R CA 1.365 57.435 56.100 -0.050 0.000 0.960 416 R CB -0.302 30.013 30.300 0.025 0.000 0.858 416 R HN 0.117 nan 8.270 nan 0.000 0.439 417 L N 0.405 121.572 121.223 -0.094 0.000 2.005 417 L HA -0.105 4.237 4.340 0.004 0.000 0.207 417 L C 2.006 178.753 176.870 -0.205 0.000 1.072 417 L CA 1.583 56.357 54.840 -0.110 0.000 0.744 417 L CB -0.758 41.254 42.059 -0.079 0.000 0.895 417 L HN 0.239 nan 8.230 nan 0.000 0.433 418 L N -0.813 120.185 121.223 -0.374 0.000 2.079 418 L HA -0.197 4.146 4.340 0.004 0.000 0.210 418 L C 2.781 179.551 176.870 -0.167 0.000 1.081 418 L CA 1.985 56.628 54.840 -0.329 0.000 0.752 418 L CB -0.881 40.916 42.059 -0.437 0.000 0.896 418 L HN 0.509 nan 8.230 nan 0.000 0.433 419 S N -1.062 114.555 115.700 -0.138 0.000 2.348 419 S HA -0.153 4.320 4.470 0.004 0.000 0.221 419 S C 2.009 176.576 174.600 -0.055 0.000 1.033 419 S CA 1.328 59.482 58.200 -0.077 0.000 1.010 419 S CB -0.257 62.904 63.200 -0.065 0.000 0.891 419 S HN 0.431 nan 8.310 nan 0.000 0.442 420 L N 0.488 121.678 121.223 -0.054 0.000 2.083 420 L HA -0.106 4.237 4.340 0.004 0.000 0.209 420 L C 2.487 179.332 176.870 -0.041 0.000 1.083 420 L CA 1.005 55.823 54.840 -0.037 0.000 0.752 420 L CB -0.704 41.339 42.059 -0.026 0.000 0.899 420 L HN 0.335 nan 8.230 nan 0.000 0.433 421 L N -0.508 120.682 121.223 -0.055 0.000 2.056 421 L HA -0.160 4.183 4.340 0.004 0.000 0.207 421 L C 2.349 179.196 176.870 -0.038 0.000 1.078 421 L CA 1.474 56.285 54.840 -0.048 0.000 0.749 421 L CB -0.261 41.761 42.059 -0.061 0.000 0.901 421 L HN 0.150 nan 8.230 nan 0.000 0.433 422 L N -1.190 120.015 121.223 -0.030 0.000 2.341 422 L HA -0.108 4.234 4.340 0.004 0.000 0.214 422 L C 2.401 179.261 176.870 -0.017 0.000 1.115 422 L CA 0.394 55.240 54.840 0.009 0.000 0.820 422 L CB -0.348 41.739 42.059 0.047 0.000 0.944 422 L HN 0.234 nan 8.230 nan 0.000 0.452 423 K N 1.185 121.568 120.400 -0.029 0.000 2.044 423 K HA -0.185 4.138 4.320 0.004 0.000 0.210 423 K C -0.610 175.959 176.600 -0.053 0.000 1.049 423 K CA 1.710 57.979 56.287 -0.029 0.000 0.927 423 K CB -0.684 31.804 32.500 -0.021 0.000 0.713 423 K HN 0.172 nan 8.250 nan 0.000 0.443 424 P HA -0.080 nan 4.420 nan 0.000 0.223 424 P C 0.940 178.137 177.300 -0.171 0.000 1.151 424 P CA 0.994 64.037 63.100 -0.095 0.000 0.787 424 P CB 0.170 31.820 31.700 -0.084 0.000 0.788 425 L N -2.751 118.312 121.223 -0.265 0.000 2.276 425 L HA 0.165 4.508 4.340 0.004 0.000 0.194 425 L C 0.587 177.012 176.870 -0.741 0.000 1.099 425 L CA 0.698 55.179 54.840 -0.598 0.000 0.800 425 L CB -0.083 41.495 42.059 -0.802 0.000 0.994 425 L HN -0.215 nan 8.230 nan 0.000 0.475 426 F N 0.042 119.950 119.950 -0.070 0.000 2.453 426 F HA 0.313 4.843 4.527 0.004 0.000 0.358 426 F C -1.707 174.007 175.800 -0.143 0.000 1.129 426 F CA -1.765 56.166 58.000 -0.115 0.000 1.200 426 F CB 0.503 39.399 39.000 -0.173 0.000 1.431 426 F HN -0.117 nan 8.300 nan 0.000 0.503 427 P HA -0.149 nan 4.420 nan 0.000 0.218 427 P C 1.476 178.723 177.300 -0.089 0.000 1.149 427 P CA 1.353 64.445 63.100 -0.015 0.000 0.817 427 P CB 0.232 31.951 31.700 0.033 0.000 0.785 428 R N -0.393 119.952 120.500 -0.258 0.000 2.073 428 R HA -0.026 4.316 4.340 0.004 0.000 0.234 428 R C 2.541 178.650 176.300 -0.318 0.000 1.134 428 R CA 1.145 57.029 56.100 -0.360 0.000 0.952 428 R CB -1.002 28.872 30.300 -0.709 0.000 0.850 428 R HN 0.256 nan 8.270 nan 0.000 0.433 429 L N 0.160 121.123 121.223 -0.434 0.000 2.046 429 L HA -0.135 4.208 4.340 0.004 0.000 0.208 429 L C 2.735 179.573 176.870 -0.054 0.000 1.077 429 L CA 1.245 55.877 54.840 -0.347 0.000 0.747 429 L CB -0.716 41.109 42.059 -0.390 0.000 0.896 429 L HN 0.231 nan 8.230 nan 0.000 0.432 430 A N 0.224 123.021 122.820 -0.039 0.000 1.933 430 A HA -0.158 4.165 4.320 0.004 0.000 0.218 430 A C 2.535 180.130 177.584 0.019 0.000 1.175 430 A CA 1.790 53.821 52.037 -0.010 0.000 0.628 430 A CB -0.618 18.376 19.000 -0.011 0.000 0.814 430 A HN 0.409 nan 8.150 nan 0.000 0.444 431 A N -1.339 121.507 122.820 0.044 0.000 1.930 431 A HA 0.035 4.357 4.320 0.004 0.000 0.217 431 A C 1.990 179.667 177.584 0.154 0.000 1.175 431 A CA 1.484 53.572 52.037 0.084 0.000 0.627 431 A CB -0.666 18.390 19.000 0.093 0.000 0.815 431 A HN 0.588 nan 8.150 nan 0.000 0.443 432 F N 0.792 120.764 119.950 0.035 0.000 2.069 432 F HA -0.162 4.367 4.527 0.004 0.000 0.298 432 F C 1.932 177.730 175.800 -0.004 0.000 1.113 432 F CA 1.620 59.672 58.000 0.086 0.000 1.214 432 F CB -0.547 38.586 39.000 0.222 0.000 0.978 432 F HN 0.144 nan 8.300 nan 0.000 0.474 433 L N -0.083 121.097 121.223 -0.071 0.000 2.046 433 L HA -0.255 4.088 4.340 0.004 0.000 0.208 433 L C 2.287 179.050 176.870 -0.178 0.000 1.077 433 L CA 1.782 56.492 54.840 -0.217 0.000 0.747 433 L CB -0.895 41.090 42.059 -0.123 0.000 0.896 433 L HN 0.207 nan 8.230 nan 0.000 0.432 434 N N 0.146 118.795 118.700 -0.085 0.000 2.188 434 N HA -0.172 4.571 4.740 0.004 0.000 0.184 434 N C 1.451 176.929 175.510 -0.053 0.000 1.018 434 N CA 1.229 54.245 53.050 -0.056 0.000 0.858 434 N CB -0.018 38.459 38.487 -0.017 0.000 0.989 434 N HN 0.230 nan 8.380 nan 0.000 0.426 435 N N -0.055 118.617 118.700 -0.047 0.000 2.336 435 N HA 0.040 4.783 4.740 0.004 0.000 0.189 435 N C 0.680 176.165 175.510 -0.041 0.000 1.113 435 N CA 0.220 53.261 53.050 -0.015 0.000 0.858 435 N CB 0.124 38.633 38.487 0.037 0.000 0.970 435 N HN 0.574 nan 8.380 nan 0.000 0.471 436 M N -0.895 118.598 119.600 -0.178 0.000 2.493 436 M HA 0.298 4.781 4.480 0.004 0.000 0.244 436 M C -0.101 176.101 176.300 -0.164 0.000 1.182 436 M CA -0.123 55.023 55.300 -0.257 0.000 0.981 436 M CB 0.206 32.355 32.600 -0.752 0.000 1.551 436 M HN -0.266 nan 8.290 nan 0.000 0.476 437 R N 2.442 122.887 120.500 -0.092 0.000 2.490 437 R HA 0.461 4.803 4.340 0.004 0.000 0.278 437 R C -2.317 173.975 176.300 -0.013 0.000 1.069 437 R CA -1.526 54.540 56.100 -0.057 0.000 1.080 437 R CB 0.241 30.517 30.300 -0.041 0.000 1.030 437 R HN 0.130 nan 8.270 nan 0.000 0.491 438 P HA 0.057 nan 4.420 nan 0.000 0.272 438 P C -1.088 176.216 177.300 0.007 0.000 1.223 438 P CA 0.029 63.135 63.100 0.010 0.000 0.784 438 P CB 0.800 32.506 31.700 0.010 0.000 0.923 439 R N -0.421 120.082 120.500 0.005 0.000 2.752 439 R HA 0.554 4.896 4.340 0.004 0.000 0.271 439 R C -0.576 175.711 176.300 -0.022 0.000 1.026 439 R CA -0.835 55.263 56.100 -0.004 0.000 0.901 439 R CB 0.426 30.728 30.300 0.003 0.000 1.243 439 R HN 0.470 nan 8.270 nan 0.000 0.463 440 S N -0.056 115.620 115.700 -0.041 0.000 2.608 440 S HA 0.323 4.796 4.470 0.004 0.000 0.261 440 S C 1.334 175.857 174.600 -0.128 0.000 1.314 440 S CA -0.203 57.948 58.200 -0.081 0.000 0.992 440 S CB 1.288 64.433 63.200 -0.092 0.000 0.935 440 S HN 0.815 nan 8.310 nan 0.000 0.564 441 A N 0.128 122.824 122.820 -0.207 0.000 1.972 441 A HA -0.085 4.238 4.320 0.004 0.000 0.219 441 A C 2.110 179.358 177.584 -0.560 0.000 1.169 441 A CA 1.574 53.401 52.037 -0.350 0.000 0.635 441 A CB -1.126 17.621 19.000 -0.422 0.000 0.810 441 A HN 1.008 nan 8.150 nan 0.000 0.446 442 E N -0.134 119.785 120.200 -0.468 0.000 2.085 442 E HA -0.238 4.114 4.350 0.004 0.000 0.194 442 E C 1.633 178.180 176.600 -0.089 0.000 0.994 442 E CA 1.364 57.558 56.400 -0.344 0.000 0.801 442 E CB -0.013 29.572 29.700 -0.192 0.000 0.743 442 E HN 0.369 nan 8.360 nan 0.000 0.453 443 K N 0.318 120.683 120.400 -0.059 0.000 2.167 443 K HA -0.097 4.226 4.320 0.004 0.000 0.203 443 K C 2.156 178.792 176.600 0.061 0.000 1.052 443 K CA 0.330 56.630 56.287 0.021 0.000 0.956 443 K CB -0.358 32.148 32.500 0.011 0.000 0.735 443 K HN 0.197 nan 8.250 nan 0.000 0.451 444 L N 0.206 121.447 121.223 0.031 0.000 2.027 444 L HA -0.100 4.242 4.340 0.004 0.000 0.206 444 L C 1.875 178.886 176.870 0.235 0.000 1.074 444 L CA 1.591 56.487 54.840 0.093 0.000 0.745 444 L CB -0.669 41.424 42.059 0.057 0.000 0.898 444 L HN 0.136 nan 8.230 nan 0.000 0.433 445 W N 0.713 122.037 121.300 0.041 0.000 2.317 445 W HA -0.273 4.390 4.660 0.005 0.000 0.318 445 W C 2.825 179.388 176.519 0.074 0.000 1.227 445 W CA 1.846 59.220 57.345 0.048 0.000 1.269 445 W CB -1.289 28.190 29.460 0.031 0.000 1.155 445 W HN 0.260 nan 8.180 nan 0.000 0.484 446 K N 0.050 120.643 120.400 0.323 0.000 2.074 446 K HA -0.234 4.088 4.320 0.004 0.000 0.209 446 K C 2.144 178.872 176.600 0.214 0.000 1.048 446 K CA 1.902 58.333 56.287 0.240 0.000 0.926 446 K CB -0.624 31.982 32.500 0.178 0.000 0.713 446 K HN 0.075 nan 8.250 nan 0.000 0.444 447 L N 1.109 122.431 121.223 0.165 0.000 2.072 447 L HA -0.137 4.206 4.340 0.004 0.000 0.205 447 L C 2.418 179.355 176.870 0.110 0.000 1.079 447 L CA 1.706 56.612 54.840 0.110 0.000 0.752 447 L CB -0.556 41.545 42.059 0.070 0.000 0.906 447 L HN 0.273 nan 8.230 nan 0.000 0.436 448 Q N -0.984 118.905 119.800 0.149 0.000 2.124 448 Q HA -0.279 4.064 4.340 0.004 0.000 0.202 448 Q C 2.261 178.355 176.000 0.156 0.000 0.977 448 Q CA 2.059 57.941 55.803 0.132 0.000 0.850 448 Q CB -0.620 28.204 28.738 0.144 0.000 0.901 448 Q HN 0.735 nan 8.270 nan 0.000 0.429 449 H N -0.151 118.967 119.070 0.081 0.000 2.353 449 H HA -0.092 4.467 4.556 0.005 0.000 0.300 449 H C 1.508 176.892 175.328 0.092 0.000 1.090 449 H CA 1.592 57.682 56.048 0.071 0.000 1.327 449 H CB 0.367 30.171 29.762 0.071 0.000 1.383 449 H HN 0.464 nan 8.280 nan 0.000 0.508 450 E N 0.339 120.580 120.200 0.067 0.000 2.110 450 E HA -0.155 4.197 4.350 0.004 0.000 0.193 450 E C 2.428 179.061 176.600 0.055 0.000 0.988 450 E CA 1.079 57.507 56.400 0.047 0.000 0.804 450 E CB 0.067 29.849 29.700 0.136 0.000 0.745 450 E HN 0.546 nan 8.360 nan 0.000 0.458 451 I N 1.129 121.720 120.570 0.034 0.000 2.179 451 I HA -0.275 3.897 4.170 0.004 0.000 0.242 451 I C 2.664 178.825 176.117 0.073 0.000 1.088 451 I CA 1.149 62.476 61.300 0.045 0.000 1.357 451 I CB -0.248 37.760 38.000 0.013 0.000 1.051 451 I HN 0.142 nan 8.210 nan 0.000 0.409 452 E N 0.999 121.223 120.200 0.041 0.000 2.049 452 E HA -0.282 4.071 4.350 0.004 0.000 0.198 452 E C 2.380 178.978 176.600 -0.003 0.000 1.007 452 E CA 1.738 58.156 56.400 0.029 0.000 0.809 452 E CB -0.062 29.668 29.700 0.050 0.000 0.749 452 E HN 0.391 nan 8.360 nan 0.000 0.450 453 M N -0.583 118.967 119.600 -0.083 0.000 2.117 453 M HA -0.180 4.303 4.480 0.004 0.000 0.262 453 M C 2.245 178.563 176.300 0.030 0.000 1.065 453 M CA 1.399 56.657 55.300 -0.071 0.000 1.114 453 M CB -0.397 32.108 32.600 -0.158 0.000 1.361 453 M HN 0.274 nan 8.290 nan 0.000 0.408 454 Y N 0.749 121.045 120.300 -0.007 0.000 2.145 454 Y HA -0.256 4.298 4.550 0.006 0.000 0.286 454 Y C 2.624 178.528 175.900 0.007 0.000 1.145 454 Y CA 1.790 59.905 58.100 0.026 0.000 1.148 454 Y CB -0.186 38.291 38.460 0.028 0.000 0.981 454 Y HN 0.070 nan 8.280 nan 0.000 0.507 455 R N -0.076 120.398 120.500 -0.043 0.000 2.083 455 R HA -0.213 4.130 4.340 0.004 0.000 0.237 455 R C 2.233 178.510 176.300 -0.039 0.000 1.137 455 R CA 1.996 58.058 56.100 -0.064 0.000 0.951 455 R CB -0.186 30.146 30.300 0.054 0.000 0.851 455 R HN 0.400 nan 8.270 nan 0.000 0.434 456 Q N -0.025 119.764 119.800 -0.019 0.000 2.167 456 Q HA -0.119 4.223 4.340 0.004 0.000 0.202 456 Q C 2.162 178.148 176.000 -0.024 0.000 0.970 456 Q CA 1.810 57.612 55.803 -0.002 0.000 0.855 456 Q CB -0.118 28.625 28.738 0.007 0.000 0.911 456 Q HN 0.473 nan 8.270 nan 0.000 0.438 457 S N -0.253 115.394 115.700 -0.090 0.000 2.383 457 S HA -0.080 4.393 4.470 0.004 0.000 0.227 457 S C 2.096 176.647 174.600 -0.082 0.000 1.026 457 S CA 1.246 59.391 58.200 -0.091 0.000 0.981 457 S CB -0.506 62.627 63.200 -0.111 0.000 0.818 457 S HN 0.123 nan 8.310 nan 0.000 0.472 458 V N 1.756 121.567 119.914 -0.172 0.000 2.591 458 V HA 0.026 4.148 4.120 0.004 0.000 0.249 458 V C 2.404 178.663 176.094 0.274 0.000 1.053 458 V CA 1.312 63.625 62.300 0.022 0.000 1.068 458 V CB -0.704 31.049 31.823 -0.117 0.000 0.689 458 V HN 0.470 nan 8.190 nan 0.000 0.462 459 I N 0.702 121.382 120.570 0.184 0.000 2.226 459 I HA -0.236 3.936 4.170 0.004 0.000 0.245 459 I C 2.649 178.861 176.117 0.158 0.000 1.100 459 I CA 1.529 62.904 61.300 0.125 0.000 1.374 459 I CB -0.496 37.514 38.000 0.017 0.000 1.057 459 I HN 0.290 nan 8.210 nan 0.000 0.413 460 A N -0.130 122.764 122.820 0.123 0.000 1.933 460 A HA -0.247 4.075 4.320 0.004 0.000 0.218 460 A C 2.260 179.954 177.584 0.184 0.000 1.175 460 A CA 1.452 53.561 52.037 0.120 0.000 0.628 460 A CB -0.540 18.500 19.000 0.068 0.000 0.814 460 A HN 0.447 nan 8.150 nan 0.000 0.444 461 Q N -1.594 118.350 119.800 0.240 0.000 2.050 461 Q HA -0.202 4.141 4.340 0.004 0.000 0.202 461 Q C 2.052 178.369 176.000 0.527 0.000 0.980 461 Q CA 1.558 57.563 55.803 0.337 0.000 0.840 461 Q CB -0.266 28.667 28.738 0.326 0.000 0.898 461 Q HN 0.915 nan 8.270 nan 0.000 0.424 462 W N 1.711 123.201 121.300 0.317 0.000 2.335 462 W HA -0.209 4.453 4.660 0.002 0.000 0.311 462 W C 1.518 178.037 176.519 -0.001 0.000 1.213 462 W CA 1.299 58.671 57.345 0.044 0.000 1.274 462 W CB -0.097 29.368 29.460 0.008 0.000 1.148 462 W HN 0.042 nan 8.180 nan 0.000 0.498 463 K N 0.383 121.010 120.400 0.378 0.000 2.057 463 K HA -0.121 4.202 4.320 0.004 0.000 0.207 463 K C 2.188 178.872 176.600 0.140 0.000 1.049 463 K CA 1.604 58.025 56.287 0.223 0.000 0.931 463 K CB -1.130 31.458 32.500 0.147 0.000 0.714 463 K HN 0.161 nan 8.250 nan 0.000 0.440 464 A N 0.728 123.635 122.820 0.145 0.000 2.024 464 A HA -0.132 4.190 4.320 0.004 0.000 0.220 464 A C 2.027 179.661 177.584 0.084 0.000 1.164 464 A CA 1.516 53.615 52.037 0.103 0.000 0.643 464 A CB -0.284 18.779 19.000 0.105 0.000 0.806 464 A HN 0.305 nan 8.150 nan 0.000 0.451 465 M N -1.144 118.510 119.600 0.089 0.000 2.371 465 M HA 0.199 4.681 4.480 0.004 0.000 0.246 465 M C 0.501 176.775 176.300 -0.043 0.000 1.103 465 M CA 0.216 55.538 55.300 0.036 0.000 1.010 465 M CB -0.127 32.522 32.600 0.081 0.000 1.457 465 M HN 0.565 nan 8.290 nan 0.000 0.486 466 N N 1.598 120.286 118.700 -0.021 0.000 2.725 466 N HA -0.161 4.581 4.740 0.004 0.000 0.251 466 N C -1.210 174.224 175.510 -0.128 0.000 1.031 466 N CA -0.152 52.880 53.050 -0.030 0.000 0.720 466 N CB -0.760 37.719 38.487 -0.013 0.000 0.930 466 N HN 0.409 nan 8.380 nan 0.000 0.543 467 L N 0.216 121.252 121.223 -0.311 0.000 2.417 467 L HA 0.150 4.493 4.340 0.004 0.000 0.268 467 L C 1.372 178.075 176.870 -0.279 0.000 1.158 467 L CA -0.504 53.996 54.840 -0.568 0.000 0.819 467 L CB 0.604 41.826 42.059 -1.395 0.000 1.112 467 L HN 0.139 nan 8.230 nan 0.000 0.458 468 D N 0.726 120.978 120.400 -0.247 0.000 2.259 468 D HA 0.073 4.716 4.640 0.004 0.000 0.216 468 D C 0.324 176.615 176.300 -0.015 0.000 0.961 468 D CA 1.054 55.012 54.000 -0.070 0.000 0.878 468 D CB 0.695 41.416 40.800 -0.131 0.000 1.009 468 D HN 0.354 nan 8.370 nan 0.000 0.490 469 V N -1.845 117.879 119.914 -0.318 0.000 3.226 469 V HA 0.681 4.804 4.120 0.004 0.000 0.304 469 V C -1.704 174.076 176.094 -0.522 0.000 1.336 469 V CA -1.194 60.941 62.300 -0.275 0.000 1.066 469 V CB 2.632 34.141 31.823 -0.524 0.000 1.087 469 V HN -0.071 nan 8.190 nan 0.000 0.451 470 L N 1.687 122.787 121.223 -0.204 0.000 2.436 470 L HA 0.853 5.196 4.340 0.004 0.000 0.268 470 L C -1.439 175.512 176.870 0.134 0.000 0.974 470 L CA -0.571 54.183 54.840 -0.143 0.000 0.826 470 L CB 1.682 43.676 42.059 -0.108 0.000 1.291 470 L HN 0.961 nan 8.230 nan 0.000 0.406 471 L N 4.767 126.072 121.223 0.138 0.000 2.296 471 L HA 0.885 5.228 4.340 0.004 0.000 0.286 471 L C -0.251 176.573 176.870 -0.077 0.000 1.023 471 L CA 0.502 55.434 54.840 0.153 0.000 0.812 471 L CB 1.575 43.780 42.059 0.244 0.000 1.223 471 L HN 0.902 nan 8.230 nan 0.000 0.421 472 T N 2.534 116.979 114.554 -0.181 0.000 2.865 472 T HA 0.762 5.115 4.350 0.004 0.000 0.294 472 T C -2.932 171.625 174.700 -0.238 0.000 1.119 472 T CA -2.111 59.747 62.100 -0.403 0.000 1.007 472 T CB 1.942 70.543 68.868 -0.445 0.000 1.225 472 T HN 0.351 nan 8.240 nan 0.000 0.515 473 P HA 0.442 nan 4.420 nan 0.000 0.272 473 P C -0.978 176.111 177.300 -0.352 0.000 1.230 473 P CA -0.586 62.312 63.100 -0.337 0.000 0.788 473 P CB 0.307 31.677 31.700 -0.550 0.000 0.949 474 M N 2.378 121.825 119.600 -0.256 0.000 2.395 474 M HA 0.412 4.895 4.480 0.004 0.000 0.307 474 M C -1.553 174.710 176.300 -0.061 0.000 1.091 474 M CA -1.566 53.652 55.300 -0.137 0.000 0.919 474 M CB 1.201 33.753 32.600 -0.080 0.000 1.662 474 M HN 0.081 nan 8.290 nan 0.000 0.440 475 L N 4.511 125.786 121.223 0.087 0.000 2.540 475 L HA 0.612 4.955 4.340 0.004 0.000 0.276 475 L C 0.090 177.159 176.870 0.333 0.000 1.212 475 L CA 1.408 56.405 54.840 0.261 0.000 0.893 475 L CB -0.148 42.196 42.059 0.476 0.000 1.138 475 L HN 0.874 nan 8.230 nan 0.000 0.491 476 G N 4.582 113.490 108.800 0.179 0.000 2.368 476 G HA2 0.384 4.346 3.960 0.004 0.000 0.293 476 G HA3 0.384 4.346 3.960 0.004 0.000 0.293 476 G C -3.277 171.588 174.900 -0.057 0.000 1.467 476 G CA -0.665 44.463 45.100 0.046 0.000 0.804 476 G HN 0.508 nan 8.290 nan 0.000 0.535 477 P HA 0.448 nan 4.420 nan 0.000 0.286 477 P C 0.426 177.422 177.300 -0.505 0.000 1.293 477 P CA 0.190 63.148 63.100 -0.238 0.000 0.770 477 P CB 0.529 32.107 31.700 -0.204 0.000 1.206 478 A N 0.246 122.655 122.820 -0.685 0.000 2.565 478 A HA 0.137 4.459 4.320 0.004 0.000 0.237 478 A C 0.294 177.499 177.584 -0.632 0.000 1.053 478 A CA 0.155 51.517 52.037 -1.124 0.000 0.755 478 A CB -1.064 17.622 19.000 -0.524 0.000 0.980 478 A HN 0.384 nan 8.150 nan 0.000 0.506 479 L N 2.199 123.068 121.223 -0.590 0.000 2.453 479 L HA 0.220 4.563 4.340 0.004 0.000 0.261 479 L C 0.543 177.320 176.870 -0.155 0.000 1.179 479 L CA 0.138 54.833 54.840 -0.243 0.000 0.813 479 L CB 0.223 42.212 42.059 -0.116 0.000 1.110 479 L HN 0.618 nan 8.230 nan 0.000 0.466 480 D N 0.964 121.297 120.400 -0.111 0.000 2.400 480 D HA 0.138 4.781 4.640 0.004 0.000 0.238 480 D C 0.128 176.390 176.300 -0.064 0.000 1.157 480 D CA -0.105 53.850 54.000 -0.075 0.000 0.889 480 D CB 0.416 41.179 40.800 -0.062 0.000 1.199 480 D HN 0.260 nan 8.370 nan 0.000 0.436 481 L N 2.731 123.929 121.223 -0.042 0.000 2.559 481 L HA -0.137 4.205 4.340 0.004 0.000 0.282 481 L C 1.106 177.946 176.870 -0.050 0.000 1.232 481 L CA 0.281 55.100 54.840 -0.036 0.000 0.885 481 L CB -0.027 42.020 42.059 -0.020 0.000 1.131 481 L HN 0.429 nan 8.230 nan 0.000 0.498 482 N N -0.378 118.285 118.700 -0.062 0.000 2.909 482 N HA -0.199 4.543 4.740 0.004 0.000 0.242 482 N C 1.046 176.506 175.510 -0.083 0.000 0.975 482 N CA 1.444 54.455 53.050 -0.064 0.000 0.921 482 N CB -1.145 37.319 38.487 -0.038 0.000 1.112 482 N HN 0.924 nan 8.380 nan 0.000 0.581 483 T N -4.207 110.283 114.554 -0.108 0.000 3.040 483 T HA 0.170 4.522 4.350 0.004 0.000 0.252 483 T C -1.100 173.481 174.700 -0.197 0.000 1.064 483 T CA 0.396 62.428 62.100 -0.114 0.000 1.110 483 T CB -0.228 68.588 68.868 -0.085 0.000 0.921 483 T HN -0.017 nan 8.240 nan 0.000 0.480 484 P HA -0.011 nan 4.420 nan 0.000 0.216 484 P C 1.791 178.764 177.300 -0.545 0.000 1.150 484 P CA 1.514 64.153 63.100 -0.769 0.000 0.843 484 P CB -0.655 30.276 31.700 -1.283 0.000 0.787 485 G N -0.966 107.640 108.800 -0.322 0.000 2.598 485 G HA2 -0.170 3.793 3.960 0.004 0.000 0.215 485 G HA3 -0.170 3.793 3.960 0.004 0.000 0.215 485 G C 1.424 176.263 174.900 -0.100 0.000 1.131 485 G CA 0.144 45.147 45.100 -0.162 0.000 0.785 485 G HN 0.278 nan 8.290 nan 0.000 0.539 486 R N -0.337 120.101 120.500 -0.103 0.000 2.397 486 R HA 0.361 4.703 4.340 0.004 0.000 0.241 486 R C 0.863 177.131 176.300 -0.054 0.000 0.914 486 R CA 0.309 56.389 56.100 -0.033 0.000 1.071 486 R CB 0.768 31.071 30.300 0.004 0.000 1.116 486 R HN 0.197 nan 8.270 nan 0.000 0.524 487 A N 0.411 123.138 122.820 -0.156 0.000 3.113 487 A HA 0.210 4.533 4.320 0.004 0.000 0.307 487 A C 0.717 178.100 177.584 -0.335 0.000 1.025 487 A CA -0.413 51.537 52.037 -0.146 0.000 1.012 487 A CB 0.127 19.134 19.000 0.012 0.000 1.085 487 A HN -0.004 nan 8.150 nan 0.000 0.519 488 T N -0.224 113.780 114.554 -0.916 0.000 2.833 488 T HA -0.108 4.244 4.350 0.004 0.000 0.269 488 T C 2.113 176.255 174.700 -0.930 0.000 1.054 488 T CA 1.970 63.482 62.100 -0.980 0.000 1.135 488 T CB -0.074 67.977 68.868 -1.361 0.000 0.869 488 T HN 0.672 nan 8.240 nan 0.000 0.466 489 G N 1.192 109.349 108.800 -1.071 0.000 2.450 489 G HA2 -0.085 3.878 3.960 0.004 0.000 0.220 489 G HA3 -0.085 3.878 3.960 0.004 0.000 0.220 489 G C 1.645 176.570 174.900 0.043 0.000 1.130 489 G CA 0.750 45.734 45.100 -0.193 0.000 0.760 489 G HN 0.598 nan 8.290 nan 0.000 0.557 490 A N 0.555 123.388 122.820 0.022 0.000 2.248 490 A HA 0.190 4.513 4.320 0.004 0.000 0.210 490 A C 2.430 180.060 177.584 0.075 0.000 1.174 490 A CA 1.450 53.571 52.037 0.140 0.000 0.750 490 A CB -0.447 18.676 19.000 0.204 0.000 0.780 490 A HN 0.887 nan 8.150 nan 0.000 0.478 491 V N -1.475 118.396 119.914 -0.072 0.000 3.305 491 V HA -0.143 3.979 4.120 0.004 0.000 0.269 491 V C 2.224 178.320 176.094 0.004 0.000 1.157 491 V CA 1.802 64.099 62.300 -0.005 0.000 1.157 491 V CB -1.441 30.313 31.823 -0.115 0.000 0.772 491 V HN 0.662 nan 8.190 nan 0.000 0.498 492 S N 0.669 116.356 115.700 -0.022 0.000 2.372 492 S HA -0.332 4.141 4.470 0.004 0.000 0.227 492 S C 1.868 176.391 174.600 -0.129 0.000 1.044 492 S CA 2.096 60.207 58.200 -0.149 0.000 1.050 492 S CB -1.239 61.870 63.200 -0.152 0.000 0.901 492 S HN 0.629 nan 8.310 nan 0.000 0.447 493 Y N 3.052 123.417 120.300 0.109 0.000 2.274 493 Y HA -0.063 4.489 4.550 0.004 0.000 0.290 493 Y C 3.266 179.242 175.900 0.126 0.000 1.145 493 Y CA 1.461 59.659 58.100 0.164 0.000 1.203 493 Y CB -0.972 37.592 38.460 0.174 0.000 0.984 493 Y HN 0.656 nan 8.280 nan 0.000 0.533 494 T N -3.749 110.862 114.554 0.096 0.000 2.983 494 T HA -0.091 4.261 4.350 0.004 0.000 0.250 494 T C 1.823 176.509 174.700 -0.022 0.000 1.037 494 T CA 0.816 62.900 62.100 -0.027 0.000 1.142 494 T CB -0.495 68.116 68.868 -0.427 0.000 0.876 494 T HN 0.190 nan 8.240 nan 0.000 0.455 495 M N 1.363 120.911 119.600 -0.088 0.000 2.213 495 M HA 0.195 4.677 4.480 0.004 0.000 0.263 495 M C 1.929 178.119 176.300 -0.184 0.000 1.062 495 M CA 0.979 56.204 55.300 -0.125 0.000 1.105 495 M CB -0.893 31.624 32.600 -0.137 0.000 1.385 495 M HN 0.265 nan 8.290 nan 0.000 0.417 496 L N -0.370 120.696 121.223 -0.262 0.000 2.043 496 L HA -0.217 4.125 4.340 0.004 0.000 0.212 496 L C 1.573 178.093 176.870 -0.583 0.000 1.075 496 L CA 2.074 56.632 54.840 -0.471 0.000 0.752 496 L CB -0.948 40.731 42.059 -0.632 0.000 0.891 496 L HN 0.475 nan 8.230 nan 0.000 0.432 497 Y N -1.100 119.160 120.300 -0.068 0.000 2.523 497 Y HA 0.042 4.594 4.550 0.004 0.000 0.279 497 Y C 2.159 178.008 175.900 -0.086 0.000 1.139 497 Y CA 0.714 58.760 58.100 -0.091 0.000 1.296 497 Y CB -0.735 37.731 38.460 0.011 0.000 1.045 497 Y HN 0.342 nan 8.280 nan 0.000 0.538 498 N N -0.728 117.966 118.700 -0.010 0.000 2.135 498 N HA -0.190 4.553 4.740 0.004 0.000 0.186 498 N C 1.941 177.407 175.510 -0.074 0.000 1.027 498 N CA 1.488 54.514 53.050 -0.040 0.000 0.849 498 N CB -0.628 37.820 38.487 -0.064 0.000 1.002 498 N HN 0.320 nan 8.380 nan 0.000 0.425 499 C N 0.676 119.901 119.300 -0.126 0.000 2.401 499 C HA -0.040 4.422 4.460 0.004 0.000 0.276 499 C C 2.187 177.120 174.990 -0.094 0.000 1.233 499 C CA 0.782 59.722 59.018 -0.130 0.000 1.753 499 C CB -1.228 26.391 27.740 -0.201 0.000 2.029 499 C HN 0.425 nan 8.230 nan 0.000 0.478 500 L N 0.010 121.132 121.223 -0.168 0.000 2.492 500 L HA 0.080 4.423 4.340 0.004 0.000 0.223 500 L C 0.818 177.630 176.870 -0.097 0.000 1.132 500 L CA 1.008 55.684 54.840 -0.274 0.000 0.850 500 L CB -0.494 41.056 42.059 -0.848 0.000 0.966 500 L HN 0.337 nan 8.230 nan 0.000 0.454 501 D N 0.555 120.946 120.400 -0.016 0.000 2.803 501 D HA -0.264 4.379 4.640 0.004 0.000 0.233 501 D C -0.617 175.831 176.300 0.247 0.000 1.182 501 D CA 0.749 54.784 54.000 0.058 0.000 0.726 501 D CB -1.120 39.681 40.800 0.001 0.000 0.987 501 D HN 0.155 nan 8.370 nan 0.000 0.412 502 F N 0.243 120.179 119.950 -0.023 0.000 2.508 502 F HA 0.443 4.972 4.527 0.004 0.000 0.325 502 F C -1.521 174.247 175.800 -0.054 0.000 1.090 502 F CA -2.478 55.486 58.000 -0.060 0.000 0.945 502 F CB 2.151 41.185 39.000 0.058 0.000 1.156 502 F HN -0.125 nan 8.300 nan 0.000 0.463 503 P HA 0.153 nan 4.420 nan 0.000 0.268 503 P C -1.333 175.995 177.300 0.047 0.000 1.205 503 P CA 0.035 63.149 63.100 0.023 0.000 0.771 503 P CB 1.220 32.909 31.700 -0.019 0.000 0.858 504 A N 2.453 125.285 122.820 0.020 0.000 2.465 504 A HA 0.723 5.046 4.320 0.004 0.000 0.292 504 A C -0.419 177.147 177.584 -0.030 0.000 1.041 504 A CA -0.364 51.658 52.037 -0.025 0.000 0.718 504 A CB 1.519 20.489 19.000 -0.050 0.000 1.266 504 A HN 0.614 nan 8.150 nan 0.000 0.403 505 G N -0.070 108.705 108.800 -0.042 0.000 2.658 505 G HA2 0.828 4.790 3.960 0.004 0.000 0.292 505 G HA3 0.828 4.790 3.960 0.004 0.000 0.292 505 G C -0.696 174.157 174.900 -0.079 0.000 1.320 505 G CA -0.052 45.018 45.100 -0.050 0.000 0.933 505 G HN 1.942 nan 8.290 nan 0.000 0.476 506 V N -2.091 117.778 119.914 -0.075 0.000 2.769 506 V HA 0.888 5.011 4.120 0.004 0.000 0.312 506 V C -0.696 175.354 176.094 -0.072 0.000 1.061 506 V CA -1.068 61.182 62.300 -0.084 0.000 0.931 506 V CB 1.578 33.355 31.823 -0.076 0.000 1.010 506 V HN 0.632 nan 8.190 nan 0.000 0.433 507 V N 3.869 123.731 119.914 -0.087 0.000 2.577 507 V HA 0.516 4.639 4.120 0.004 0.000 0.303 507 V C -2.574 173.482 176.094 -0.062 0.000 1.042 507 V CA -1.791 60.465 62.300 -0.072 0.000 0.872 507 V CB 2.176 33.935 31.823 -0.107 0.000 0.998 507 V HN 0.896 nan 8.190 nan 0.000 0.423 508 P HA 0.146 nan 4.420 nan 0.000 0.267 508 P C 0.452 177.721 177.300 -0.051 0.000 1.205 508 P CA 0.239 63.313 63.100 -0.043 0.000 0.765 508 P CB 1.071 32.756 31.700 -0.025 0.000 0.828 509 V N -0.214 119.663 119.914 -0.063 0.000 3.497 509 V HA 0.352 4.475 4.120 0.004 0.000 0.272 509 V C 0.472 176.533 176.094 -0.056 0.000 1.474 509 V CA 0.651 62.916 62.300 -0.059 0.000 1.025 509 V CB 0.349 32.131 31.823 -0.068 0.000 0.820 509 V HN 0.601 nan 8.190 nan 0.000 0.437 510 T N 0.615 115.126 114.554 -0.070 0.000 2.693 510 T HA 0.599 4.952 4.350 0.004 0.000 0.304 510 T C -1.012 173.623 174.700 -0.109 0.000 1.471 510 T CA 0.556 62.612 62.100 -0.073 0.000 0.993 510 T CB 1.763 70.595 68.868 -0.060 0.000 1.554 510 T HN 0.838 nan 8.240 nan 0.000 0.496 511 T N -0.638 113.852 114.554 -0.106 0.000 2.907 511 T HA 0.696 5.049 4.350 0.004 0.000 0.292 511 T C -0.439 174.198 174.700 -0.105 0.000 1.043 511 T CA -0.691 61.322 62.100 -0.145 0.000 1.003 511 T CB 1.166 69.938 68.868 -0.160 0.000 1.084 511 T HN 0.504 nan 8.240 nan 0.000 0.483 512 V N 3.704 123.548 119.914 -0.116 0.000 2.540 512 V HA 0.313 4.436 4.120 0.004 0.000 0.297 512 V C 1.451 177.508 176.094 -0.061 0.000 1.024 512 V CA 0.080 62.330 62.300 -0.084 0.000 1.105 512 V CB 0.107 31.874 31.823 -0.093 0.000 0.938 512 V HN 1.206 nan 8.190 nan 0.000 0.482 513 T N 2.498 117.026 114.554 -0.043 0.000 2.881 513 T HA 0.591 4.943 4.350 0.004 0.000 0.278 513 T C 1.270 175.956 174.700 -0.024 0.000 0.982 513 T CA -0.121 61.962 62.100 -0.029 0.000 0.989 513 T CB 1.717 70.573 68.868 -0.020 0.000 1.058 513 T HN 0.696 nan 8.240 nan 0.000 0.529 514 A N -0.027 122.784 122.820 -0.016 0.000 1.933 514 A HA -0.069 4.253 4.320 0.004 0.000 0.218 514 A C 2.271 179.849 177.584 -0.010 0.000 1.175 514 A CA 1.883 53.913 52.037 -0.013 0.000 0.628 514 A CB -1.171 17.824 19.000 -0.008 0.000 0.814 514 A HN 1.046 nan 8.150 nan 0.000 0.444 515 E N -0.032 120.164 120.200 -0.008 0.000 2.058 515 E HA -0.264 4.089 4.350 0.004 0.000 0.194 515 E C 1.259 177.858 176.600 -0.003 0.000 0.997 515 E CA 1.554 57.953 56.400 -0.003 0.000 0.801 515 E CB -0.186 29.512 29.700 -0.002 0.000 0.746 515 E HN 0.566 nan 8.360 nan 0.000 0.450 516 D N 0.378 120.774 120.400 -0.008 0.000 2.117 516 D HA -0.168 4.475 4.640 0.004 0.000 0.197 516 D C 1.636 177.930 176.300 -0.011 0.000 0.987 516 D CA 1.398 55.394 54.000 -0.008 0.000 0.829 516 D CB -0.417 40.371 40.800 -0.020 0.000 0.961 516 D HN 0.279 nan 8.370 nan 0.000 0.460 517 D N 0.268 120.656 120.400 -0.020 0.000 2.097 517 D HA -0.034 4.608 4.640 0.004 0.000 0.197 517 D C 1.995 178.286 176.300 -0.015 0.000 0.984 517 D CA 1.448 55.432 54.000 -0.027 0.000 0.826 517 D CB -0.063 40.718 40.800 -0.032 0.000 0.973 517 D HN 0.063 nan 8.370 nan 0.000 0.460 518 A N 0.054 122.870 122.820 -0.007 0.000 1.986 518 A HA -0.245 4.078 4.320 0.004 0.000 0.220 518 A C 2.076 179.667 177.584 0.010 0.000 1.171 518 A CA 1.566 53.604 52.037 0.001 0.000 0.640 518 A CB -0.668 18.334 19.000 0.002 0.000 0.811 518 A HN 0.368 nan 8.150 nan 0.000 0.451 519 Q N -1.367 118.442 119.800 0.015 0.000 2.436 519 Q HA 0.027 4.370 4.340 0.004 0.000 0.209 519 Q C 1.722 177.755 176.000 0.055 0.000 0.965 519 Q CA 0.524 56.346 55.803 0.033 0.000 0.910 519 Q CB -0.110 28.648 28.738 0.035 0.000 0.980 519 Q HN 0.518 nan 8.270 nan 0.000 0.491 520 M N 0.503 120.124 119.600 0.035 0.000 2.358 520 M HA -0.144 4.339 4.480 0.004 0.000 0.264 520 M C 1.318 177.657 176.300 0.065 0.000 1.064 520 M CA 1.237 56.559 55.300 0.037 0.000 1.093 520 M CB -0.386 32.187 32.600 -0.045 0.000 1.401 520 M HN 0.145 nan 8.290 nan 0.000 0.440 521 E N 0.023 120.250 120.200 0.045 0.000 2.338 521 E HA -0.047 4.305 4.350 0.004 0.000 0.197 521 E C 1.895 178.534 176.600 0.064 0.000 1.007 521 E CA 0.824 57.251 56.400 0.046 0.000 0.849 521 E CB -0.188 29.528 29.700 0.027 0.000 0.774 521 E HN 0.518 nan 8.360 nan 0.000 0.506 522 L N -0.609 120.660 121.223 0.077 0.000 2.585 522 L HA 0.109 4.452 4.340 0.004 0.000 0.226 522 L C 0.674 177.589 176.870 0.075 0.000 1.113 522 L CA -0.368 54.508 54.840 0.061 0.000 0.876 522 L CB -0.037 42.047 42.059 0.041 0.000 1.072 522 L HN -0.011 nan 8.230 nan 0.000 0.468 523 Y N 1.805 122.096 120.300 -0.015 0.000 2.650 523 Y HA -0.101 4.452 4.550 0.005 0.000 0.331 523 Y C 1.225 177.106 175.900 -0.032 0.000 1.165 523 Y CA 0.734 58.817 58.100 -0.029 0.000 1.473 523 Y CB 0.384 38.831 38.460 -0.022 0.000 1.224 523 Y HN -0.034 nan 8.280 nan 0.000 0.533 524 K N 4.058 124.272 120.400 -0.310 0.000 2.399 524 K HA 0.295 4.617 4.320 0.004 0.000 0.196 524 K C 0.547 176.991 176.600 -0.261 0.000 1.117 524 K CA 0.465 56.647 56.287 -0.176 0.000 0.965 524 K CB 0.491 32.911 32.500 -0.133 0.000 0.983 524 K HN 0.981 nan 8.250 nan 0.000 0.531 525 G N 0.664 109.066 108.800 -0.665 0.000 2.787 525 G HA2 -0.268 3.695 3.960 0.004 0.000 0.685 525 G HA3 -0.268 3.695 3.960 0.004 0.000 0.685 525 G C -0.171 174.477 174.900 -0.421 0.000 1.437 525 G CA -0.412 44.370 45.100 -0.529 0.000 0.872 525 G HN 0.164 nan 8.290 nan 0.000 0.566 526 Y N -0.144 120.047 120.300 -0.181 0.000 2.523 526 Y HA 0.372 4.925 4.550 0.005 0.000 0.279 526 Y C 2.282 177.830 175.900 -0.586 0.000 1.139 526 Y CA 1.100 58.949 58.100 -0.417 0.000 1.296 526 Y CB -0.025 38.074 38.460 -0.603 0.000 1.045 526 Y HN 0.459 nan 8.280 nan 0.000 0.538 527 F N -2.076 117.901 119.950 0.045 0.000 2.667 527 F HA 0.390 4.920 4.527 0.004 0.000 0.288 527 F C 2.017 177.846 175.800 0.048 0.000 1.086 527 F CA 0.514 58.529 58.000 0.026 0.000 1.297 527 F CB 0.124 39.111 39.000 -0.021 0.000 1.059 527 F HN -0.078 nan 8.300 nan 0.000 0.624 528 G N 1.200 110.123 108.800 0.205 0.000 2.148 528 G HA2 -0.285 3.678 3.960 0.004 0.000 0.254 528 G HA3 -0.285 3.678 3.960 0.004 0.000 0.254 528 G C -0.206 174.805 174.900 0.185 0.000 0.981 528 G CA 0.424 45.619 45.100 0.158 0.000 0.670 528 G HN 0.443 nan 8.290 nan 0.000 0.528 529 D N -0.609 119.887 120.400 0.160 0.000 2.478 529 D HA 0.512 5.155 4.640 0.004 0.000 0.269 529 D C 1.534 177.755 176.300 -0.132 0.000 1.232 529 D CA -0.734 53.229 54.000 -0.061 0.000 1.059 529 D CB 0.202 40.891 40.800 -0.186 0.000 1.104 529 D HN 0.115 nan 8.370 nan 0.000 0.566 530 I N -0.640 119.736 120.570 -0.323 0.000 2.361 530 I HA -0.148 4.025 4.170 0.004 0.000 0.251 530 I C 1.328 177.496 176.117 0.085 0.000 1.133 530 I CA 1.019 62.230 61.300 -0.148 0.000 1.413 530 I CB -0.315 37.560 38.000 -0.210 0.000 1.073 530 I HN 0.398 nan 8.210 nan 0.000 0.424 531 W N 0.630 121.883 121.300 -0.077 0.000 2.388 531 W HA -0.125 4.537 4.660 0.004 0.000 0.294 531 W C 2.328 178.867 176.519 0.034 0.000 1.212 531 W CA 0.782 58.108 57.345 -0.033 0.000 1.271 531 W CB -1.483 27.941 29.460 -0.061 0.000 1.126 531 W HN 0.177 nan 8.180 nan 0.000 0.535 532 D N -0.110 120.454 120.400 0.273 0.000 2.117 532 D HA -0.099 4.544 4.640 0.004 0.000 0.198 532 D C 2.297 178.722 176.300 0.208 0.000 0.982 532 D CA 1.169 55.324 54.000 0.259 0.000 0.828 532 D CB -0.478 40.456 40.800 0.222 0.000 0.967 532 D HN 0.104 nan 8.370 nan 0.000 0.464 533 I N 0.790 121.443 120.570 0.138 0.000 2.179 533 I HA -0.220 3.953 4.170 0.004 0.000 0.242 533 I C 2.224 178.384 176.117 0.072 0.000 1.088 533 I CA 0.575 61.932 61.300 0.094 0.000 1.357 533 I CB -0.072 37.959 38.000 0.052 0.000 1.051 533 I HN -0.009 nan 8.210 nan 0.000 0.409 534 I N 0.318 120.934 120.570 0.078 0.000 2.179 534 I HA -0.275 3.898 4.170 0.004 0.000 0.242 534 I C 2.592 178.723 176.117 0.023 0.000 1.088 534 I CA 1.569 62.898 61.300 0.048 0.000 1.357 534 I CB -1.028 37.009 38.000 0.062 0.000 1.051 534 I HN 0.254 nan 8.210 nan 0.000 0.409 535 L N 1.251 122.505 121.223 0.053 0.000 2.017 535 L HA -0.219 4.124 4.340 0.004 0.000 0.208 535 L C 2.638 179.428 176.870 -0.134 0.000 1.073 535 L CA 1.938 56.779 54.840 0.001 0.000 0.745 535 L CB -0.790 41.319 42.059 0.084 0.000 0.894 535 L HN 0.159 nan 8.230 nan 0.000 0.432 536 K N -0.358 119.967 120.400 -0.124 0.000 2.020 536 K HA -0.304 4.019 4.320 0.004 0.000 0.212 536 K C 2.355 178.864 176.600 -0.152 0.000 1.050 536 K CA 2.225 58.370 56.287 -0.236 0.000 0.929 536 K CB -0.264 32.257 32.500 0.034 0.000 0.714 536 K HN 0.314 nan 8.250 nan 0.000 0.443 537 K N -0.252 120.108 120.400 -0.068 0.000 2.097 537 K HA -0.074 4.248 4.320 0.004 0.000 0.205 537 K C 1.917 178.471 176.600 -0.077 0.000 1.050 537 K CA 1.047 57.301 56.287 -0.056 0.000 0.938 537 K CB -0.111 32.373 32.500 -0.026 0.000 0.718 537 K HN 0.271 nan 8.250 nan 0.000 0.442 538 A N 0.745 123.514 122.820 -0.084 0.000 2.015 538 A HA -0.078 4.245 4.320 0.004 0.000 0.219 538 A C 1.881 179.389 177.584 -0.125 0.000 1.163 538 A CA 1.164 53.146 52.037 -0.092 0.000 0.646 538 A CB -0.260 18.693 19.000 -0.078 0.000 0.806 538 A HN 0.322 nan 8.150 nan 0.000 0.448 539 M N -0.657 118.849 119.600 -0.156 0.000 2.502 539 M HA 0.083 4.566 4.480 0.004 0.000 0.243 539 M C 0.350 176.559 176.300 -0.151 0.000 1.130 539 M CA 0.278 55.470 55.300 -0.179 0.000 1.055 539 M CB 0.114 32.578 32.600 -0.227 0.000 1.457 539 M HN 0.190 nan 8.290 nan 0.000 0.488 540 K N 1.076 121.401 120.400 -0.124 0.000 2.132 540 K HA 0.093 4.415 4.320 0.004 0.000 0.240 540 K C 0.117 176.671 176.600 -0.077 0.000 1.036 540 K CA -0.115 56.118 56.287 -0.089 0.000 0.888 540 K CB 0.114 32.574 32.500 -0.068 0.000 1.071 540 K HN 0.107 nan 8.250 nan 0.000 0.502 541 N N -0.049 118.617 118.700 -0.057 0.000 2.705 541 N HA -0.167 4.576 4.740 0.004 0.000 0.255 541 N C -0.839 174.639 175.510 -0.054 0.000 1.008 541 N CA 0.797 53.820 53.050 -0.045 0.000 0.742 541 N CB -0.974 37.491 38.487 -0.037 0.000 0.906 541 N HN 0.349 nan 8.380 nan 0.000 0.541 542 S N -1.338 114.323 115.700 -0.065 0.000 2.749 542 S HA 0.183 4.655 4.470 0.004 0.000 0.246 542 S C 0.406 174.963 174.600 -0.072 0.000 1.023 542 S CA -0.513 57.639 58.200 -0.082 0.000 1.012 542 S CB 0.918 64.047 63.200 -0.118 0.000 0.942 542 S HN 0.245 nan 8.310 nan 0.000 0.531 543 V N 2.385 122.270 119.914 -0.048 0.000 2.557 543 V HA 0.311 4.434 4.120 0.004 0.000 0.301 543 V C 1.482 177.555 176.094 -0.035 0.000 1.026 543 V CA 1.552 63.828 62.300 -0.040 0.000 1.137 543 V CB 0.111 31.921 31.823 -0.022 0.000 0.917 543 V HN 0.707 nan 8.190 nan 0.000 0.484 544 G N 4.001 112.768 108.800 -0.055 0.000 2.213 544 G HA2 -0.190 3.773 3.960 0.004 0.000 0.236 544 G HA3 -0.190 3.773 3.960 0.004 0.000 0.236 544 G C 0.079 174.877 174.900 -0.170 0.000 0.991 544 G CA -0.078 44.990 45.100 -0.054 0.000 0.629 544 G HN 0.552 nan 8.290 nan 0.000 0.517 545 L N 2.575 123.677 121.223 -0.202 0.000 2.371 545 L HA 0.386 4.728 4.340 0.004 0.000 0.272 545 L C -1.575 175.047 176.870 -0.412 0.000 1.124 545 L CA -1.903 52.727 54.840 -0.349 0.000 0.816 545 L CB 0.710 42.629 42.059 -0.233 0.000 1.129 545 L HN -0.015 nan 8.230 nan 0.000 0.448 546 P HA 0.133 nan 4.420 nan 0.000 0.271 546 P C -0.892 176.277 177.300 -0.219 0.000 1.218 546 P CA -0.131 62.715 63.100 -0.423 0.000 0.780 546 P CB 1.245 32.650 31.700 -0.492 0.000 0.901 547 V N 1.926 121.750 119.914 -0.150 0.000 2.709 547 V HA 0.675 4.798 4.120 0.004 0.000 0.308 547 V C 0.204 176.257 176.094 -0.067 0.000 1.062 547 V CA -0.700 61.548 62.300 -0.086 0.000 0.901 547 V CB 1.782 33.554 31.823 -0.084 0.000 1.003 547 V HN 0.781 nan 8.190 nan 0.000 0.425 548 A N 3.778 126.574 122.820 -0.041 0.000 2.309 548 A HA 1.010 5.333 4.320 0.004 0.000 0.317 548 A C -0.451 177.089 177.584 -0.074 0.000 1.134 548 A CA -0.512 51.494 52.037 -0.052 0.000 0.866 548 A CB 1.975 20.957 19.000 -0.031 0.000 1.329 548 A HN 1.466 nan 8.150 nan 0.000 0.477 549 V N -1.855 118.001 119.914 -0.097 0.000 3.019 549 V HA 0.757 4.879 4.120 0.004 0.000 0.317 549 V C -0.474 175.541 176.094 -0.131 0.000 1.094 549 V CA -0.741 61.486 62.300 -0.120 0.000 1.000 549 V CB 1.388 33.130 31.823 -0.134 0.000 1.060 549 V HN 1.014 nan 8.190 nan 0.000 0.443 550 Q N 0.521 120.242 119.800 -0.132 0.000 2.282 550 Q HA 0.601 4.944 4.340 0.004 0.000 0.260 550 Q C -1.491 174.434 176.000 -0.125 0.000 0.964 550 Q CA -0.510 55.219 55.803 -0.123 0.000 0.880 550 Q CB 1.803 30.485 28.738 -0.092 0.000 1.286 550 Q HN 0.994 nan 8.270 nan 0.000 0.445 551 C N 3.358 122.585 119.300 -0.121 0.000 2.351 551 C HA 0.799 5.262 4.460 0.004 0.000 0.326 551 C C -0.561 174.456 174.990 0.045 0.000 1.272 551 C CA -0.643 58.356 59.018 -0.031 0.000 1.650 551 C CB 0.772 28.385 27.740 -0.211 0.000 2.257 551 C HN 0.646 nan 8.230 nan 0.000 0.505 552 V N 2.242 122.245 119.914 0.148 0.000 2.789 552 V HA 0.940 5.063 4.120 0.004 0.000 0.311 552 V C 0.104 176.366 176.094 0.281 0.000 1.073 552 V CA -0.221 62.140 62.300 0.102 0.000 0.921 552 V CB 1.752 33.519 31.823 -0.092 0.000 1.009 552 V HN 1.142 nan 8.190 nan 0.000 0.426 553 A N 3.080 126.009 122.820 0.182 0.000 2.524 553 A HA 0.933 5.256 4.320 0.004 0.000 0.286 553 A C -0.888 176.463 177.584 -0.388 0.000 1.203 553 A CA -0.806 51.294 52.037 0.104 0.000 0.736 553 A CB 1.154 20.191 19.000 0.061 0.000 1.322 553 A HN 0.733 nan 8.150 nan 0.000 0.424 554 L N 0.579 121.371 121.223 -0.717 0.000 2.476 554 L HA 0.282 4.624 4.340 0.004 0.000 0.255 554 L C -2.042 174.398 176.870 -0.718 0.000 1.218 554 L CA -1.656 52.474 54.840 -1.183 0.000 0.819 554 L CB 0.220 41.690 42.059 -0.982 0.000 1.119 554 L HN 0.388 nan 8.230 nan 0.000 0.485 555 P HA -0.099 nan 4.420 nan 0.000 0.266 555 P C -0.859 176.252 177.300 -0.316 0.000 1.195 555 P CA 0.364 63.136 63.100 -0.546 0.000 0.768 555 P CB 0.115 31.511 31.700 -0.507 0.000 0.838 556 W N -0.021 121.225 121.300 -0.091 0.000 2.869 556 W HA -0.191 4.471 4.660 0.003 0.000 0.285 556 W C 0.500 176.974 176.519 -0.074 0.000 1.098 556 W CA 0.017 57.324 57.345 -0.063 0.000 0.571 556 W CB -2.283 27.138 29.460 -0.065 0.000 2.131 556 W HN 0.348 nan 8.180 nan 0.000 1.367 557 Q N 0.481 120.292 119.800 0.019 0.000 2.526 557 Q HA 0.143 4.485 4.340 0.004 0.000 0.353 557 Q C 1.272 177.279 176.000 0.012 0.000 0.977 557 Q CA 0.316 56.118 55.803 -0.000 0.000 1.027 557 Q CB 0.316 29.018 28.738 -0.059 0.000 1.272 557 Q HN 0.329 nan 8.270 nan 0.000 0.420 558 E N 0.546 120.771 120.200 0.041 0.000 2.118 558 E HA -0.201 4.152 4.350 0.004 0.000 0.195 558 E C 1.248 177.884 176.600 0.059 0.000 0.992 558 E CA 1.310 57.747 56.400 0.063 0.000 0.804 558 E CB 0.298 30.066 29.700 0.113 0.000 0.741 558 E HN 0.378 nan 8.360 nan 0.000 0.458 559 E N -0.018 120.171 120.200 -0.019 0.000 2.072 559 E HA -0.139 4.214 4.350 0.004 0.000 0.191 559 E C 1.840 178.485 176.600 0.075 0.000 0.985 559 E CA 0.566 56.916 56.400 -0.083 0.000 0.801 559 E CB -0.188 29.325 29.700 -0.312 0.000 0.750 559 E HN 0.115 nan 8.360 nan 0.000 0.452 560 L N 0.483 121.738 121.223 0.054 0.000 2.027 560 L HA -0.129 4.214 4.340 0.004 0.000 0.206 560 L C 2.232 179.190 176.870 0.147 0.000 1.074 560 L CA 1.578 56.469 54.840 0.086 0.000 0.745 560 L CB -0.890 41.196 42.059 0.046 0.000 0.898 560 L HN 0.330 nan 8.230 nan 0.000 0.433 561 C N -0.599 118.781 119.300 0.133 0.000 2.391 561 C HA -0.218 4.245 4.460 0.004 0.000 0.276 561 C C 2.790 177.893 174.990 0.189 0.000 1.217 561 C CA 1.407 60.528 59.018 0.171 0.000 1.766 561 C CB -1.095 26.709 27.740 0.107 0.000 2.046 561 C HN 0.610 nan 8.230 nan 0.000 0.475 562 L N 0.258 121.594 121.223 0.187 0.000 2.109 562 L HA -0.046 4.297 4.340 0.004 0.000 0.207 562 L C 3.008 180.121 176.870 0.404 0.000 1.086 562 L CA 1.239 56.218 54.840 0.231 0.000 0.760 562 L CB -0.836 41.303 42.059 0.134 0.000 0.910 562 L HN 0.334 nan 8.230 nan 0.000 0.437 563 R N 0.557 121.310 120.500 0.422 0.000 2.096 563 R HA -0.269 4.073 4.340 0.004 0.000 0.240 563 R C 2.287 178.720 176.300 0.222 0.000 1.139 563 R CA 2.127 58.381 56.100 0.255 0.000 0.952 563 R CB -0.831 29.562 30.300 0.156 0.000 0.854 563 R HN 0.370 nan 8.270 nan 0.000 0.436 564 F N 0.566 120.538 119.950 0.038 0.000 2.146 564 F HA -0.158 4.373 4.527 0.007 0.000 0.298 564 F C 2.371 178.167 175.800 -0.008 0.000 1.096 564 F CA 1.098 59.081 58.000 -0.029 0.000 1.275 564 F CB -0.015 38.958 39.000 -0.045 0.000 1.008 564 F HN -0.010 nan 8.300 nan 0.000 0.480 565 M N 0.063 119.630 119.600 -0.055 0.000 2.159 565 M HA -0.223 4.260 4.480 0.004 0.000 0.263 565 M C 2.285 178.553 176.300 -0.054 0.000 1.063 565 M CA 1.713 56.921 55.300 -0.155 0.000 1.110 565 M CB -0.503 32.067 32.600 -0.050 0.000 1.374 565 M HN 0.110 nan 8.290 nan 0.000 0.411 566 R N 0.361 120.904 120.500 0.071 0.000 2.092 566 R HA -0.189 4.154 4.340 0.004 0.000 0.231 566 R C 1.945 178.262 176.300 0.029 0.000 1.119 566 R CA 1.657 57.807 56.100 0.083 0.000 0.970 566 R CB -0.024 30.349 30.300 0.122 0.000 0.864 566 R HN 0.211 nan 8.270 nan 0.000 0.440 567 E N -0.019 120.200 120.200 0.032 0.000 2.047 567 E HA -0.113 4.240 4.350 0.004 0.000 0.191 567 E C 1.835 178.431 176.600 -0.008 0.000 0.987 567 E CA 1.457 57.885 56.400 0.047 0.000 0.799 567 E CB -0.069 29.697 29.700 0.111 0.000 0.752 567 E HN 0.162 nan 8.360 nan 0.000 0.449 568 V N 0.977 120.822 119.914 -0.116 0.000 2.343 568 V HA -0.235 3.888 4.120 0.004 0.000 0.247 568 V C 2.418 178.461 176.094 -0.086 0.000 1.051 568 V CA 2.192 64.400 62.300 -0.154 0.000 1.036 568 V CB -0.554 31.075 31.823 -0.324 0.000 0.654 568 V HN 0.400 nan 8.190 nan 0.000 0.451 569 E N -0.334 119.825 120.200 -0.068 0.000 2.051 569 E HA -0.287 4.066 4.350 0.004 0.000 0.192 569 E C 2.350 178.945 176.600 -0.008 0.000 0.991 569 E CA 1.372 57.754 56.400 -0.030 0.000 0.799 569 E CB -0.163 29.532 29.700 -0.009 0.000 0.748 569 E HN 0.524 nan 8.360 nan 0.000 0.449 570 Q N 0.547 120.349 119.800 0.003 0.000 2.084 570 Q HA -0.151 4.192 4.340 0.004 0.000 0.202 570 Q C 2.336 178.343 176.000 0.012 0.000 0.978 570 Q CA 1.222 57.033 55.803 0.014 0.000 0.844 570 Q CB -0.119 28.633 28.738 0.022 0.000 0.898 570 Q HN 0.414 nan 8.270 nan 0.000 0.426 571 L N -0.445 120.785 121.223 0.011 0.000 2.109 571 L HA -0.120 4.222 4.340 0.004 0.000 0.207 571 L C 2.382 179.251 176.870 -0.001 0.000 1.086 571 L CA 0.644 55.492 54.840 0.013 0.000 0.760 571 L CB -0.234 41.840 42.059 0.026 0.000 0.910 571 L HN 0.216 nan 8.230 nan 0.000 0.437 572 M N -1.176 118.416 119.600 -0.013 0.000 2.466 572 M HA 0.074 4.557 4.480 0.004 0.000 0.265 572 M C 0.883 177.176 176.300 -0.012 0.000 1.122 572 M CA 0.841 56.129 55.300 -0.019 0.000 1.157 572 M CB -0.420 32.158 32.600 -0.037 0.000 1.352 572 M HN 0.238 nan 8.290 nan 0.000 0.464 573 T N -2.045 112.505 114.554 -0.007 0.000 3.542 573 T HA 0.330 4.683 4.350 0.004 0.000 0.276 573 T C -2.186 172.520 174.700 0.011 0.000 1.412 573 T CA -1.264 60.837 62.100 0.003 0.000 1.664 573 T CB 0.955 69.826 68.868 0.005 0.000 0.863 573 T HN -0.047 nan 8.240 nan 0.000 0.661 574 P HA -0.167 nan 4.420 nan 0.000 0.217 574 P C 1.384 178.695 177.300 0.018 0.000 1.148 574 P CA 1.175 64.283 63.100 0.014 0.000 0.828 574 P CB 0.203 31.910 31.700 0.012 0.000 0.783 575 Q N -0.312 119.500 119.800 0.020 0.000 2.437 575 Q HA -0.069 4.274 4.340 0.004 0.000 0.210 575 Q C 1.803 177.821 176.000 0.029 0.000 0.972 575 Q CA 0.847 56.665 55.803 0.024 0.000 0.903 575 Q CB -0.474 28.280 28.738 0.026 0.000 0.967 575 Q HN 0.332 nan 8.270 nan 0.000 0.486 576 K N 0.669 121.088 120.400 0.030 0.000 2.439 576 K HA 0.027 4.350 4.320 0.004 0.000 0.197 576 K C 0.392 177.014 176.600 0.037 0.000 1.041 576 K CA 0.443 56.751 56.287 0.036 0.000 0.970 576 K CB 0.324 32.845 32.500 0.034 0.000 0.773 576 K HN 0.392 nan 8.250 nan 0.000 0.479 577 Q N 0.219 120.039 119.800 0.033 0.000 2.394 577 Q HA 0.311 4.654 4.340 0.004 0.000 0.273 577 Q C -2.214 173.803 176.000 0.029 0.000 1.089 577 Q CA -2.051 53.773 55.803 0.034 0.000 0.812 577 Q CB 1.488 30.245 28.738 0.032 0.000 1.353 577 Q HN -0.064 nan 8.270 nan 0.000 0.438 578 P HA 0.000 nan 4.420 nan 0.000 0.216 578 P CA 0.000 63.115 63.100 0.026 0.000 0.800 578 P CB 0.000 31.715 31.700 0.025 0.000 0.726