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 2vzm_1_B DATA FIRST_RESID 13 DATA SEQUENCE PVLDLGALGQ DFAADPYPTY ARLRAEGPAH RVRTPEGNEV WLVVGYDRAR DATA SEQUENCE AVLADPRFSK DWRNSTTPLT EAEAALNHNM LESDPPRHTR LRKLVAREFT DATA SEQUENCE MRRVELLRPR VQEIVDGLVD AMLAAPDGRA DLMESLAWPL PITVISELLG DATA SEQUENCE VPEPDRAAFR VWTDAFVFPD DPAQAQTAMA EMSGYLSRLI DSKRGQDGED DATA SEQUENCE LLSALVRTSD EDGSRLTSEE LLGMAHILLV AGHETTVNLI ANGMYALLSH DATA SEQUENCE PDQLAALRAD MTLLDGAVEE MLRYEGPVES ATYRFPVEPV DLDGTVIPAG DATA SEQUENCE DTVLVVLADA HRTPERFPDP HRFDIRRDTA GHLAFGHGIH FCIGAPLARL DATA SEQUENCE EARIAVRALL ERCPDLALDV SPGELVWYPN PMIRGLKALP IRWR 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 13 P HA 0.000 nan 4.420 nan 0.000 0.216 13 P C 0.000 177.267 177.300 -0.055 0.000 1.155 13 P CA 0.000 63.079 63.100 -0.034 0.000 0.800 13 P CB 0.000 31.682 31.700 -0.031 0.000 0.726 14 V N 2.919 122.787 119.914 -0.076 0.000 2.409 14 V HA 0.161 4.273 4.120 -0.014 0.000 0.270 14 V C 0.988 177.025 176.094 -0.095 0.000 1.019 14 V CA -0.031 62.205 62.300 -0.107 0.000 1.066 14 V CB 0.694 32.444 31.823 -0.122 0.000 1.021 14 V HN 0.748 nan 8.190 nan 0.000 0.476 15 L N 5.677 126.844 121.223 -0.094 0.000 2.559 15 L HA 0.156 4.488 4.340 -0.014 0.000 0.274 15 L C 0.301 177.094 176.870 -0.128 0.000 1.205 15 L CA 0.756 55.534 54.840 -0.104 0.000 0.907 15 L CB 0.309 42.305 42.059 -0.105 0.000 1.153 15 L HN 0.607 nan 8.230 nan 0.000 0.490 16 D N 4.782 125.104 120.400 -0.131 0.000 2.396 16 D HA 0.144 4.775 4.640 -0.014 0.000 0.225 16 D C 0.996 177.172 176.300 -0.207 0.000 1.121 16 D CA -0.143 53.774 54.000 -0.137 0.000 0.853 16 D CB 0.880 41.621 40.800 -0.099 0.000 1.043 16 D HN 0.657 nan 8.370 nan 0.000 0.500 17 L N 2.782 123.847 121.223 -0.263 0.000 2.156 17 L HA 0.047 4.379 4.340 -0.014 0.000 0.208 17 L C 2.452 179.132 176.870 -0.317 0.000 1.095 17 L CA 0.818 55.376 54.840 -0.469 0.000 0.770 17 L CB -0.159 41.576 42.059 -0.540 0.000 0.914 17 L HN 0.444 nan 8.230 nan 0.000 0.439 18 G N 0.200 108.907 108.800 -0.155 0.000 2.440 18 G HA2 -0.251 3.701 3.960 -0.014 0.000 0.218 18 G HA3 -0.251 3.701 3.960 -0.014 0.000 0.218 18 G C 1.489 176.349 174.900 -0.066 0.000 1.154 18 G CA 0.693 45.750 45.100 -0.070 0.000 0.767 18 G HN 0.453 nan 8.290 nan 0.000 0.552 19 A N -0.591 122.176 122.820 -0.087 0.000 2.265 19 A HA 0.470 4.782 4.320 -0.014 0.000 0.213 19 A C 1.761 179.300 177.584 -0.075 0.000 1.255 19 A CA 0.377 52.374 52.037 -0.067 0.000 0.862 19 A CB -0.085 18.877 19.000 -0.064 0.000 0.852 19 A HN 0.277 nan 8.150 nan 0.000 0.484 20 L N -2.033 119.130 121.223 -0.099 0.000 2.537 20 L HA 0.386 4.718 4.340 -0.014 0.000 0.224 20 L C 1.430 178.303 176.870 0.005 0.000 1.065 20 L CA 1.261 56.055 54.840 -0.076 0.000 0.860 20 L CB -0.642 41.310 42.059 -0.177 0.000 1.086 20 L HN 0.612 nan 8.230 nan 0.000 0.482 21 G N -0.140 108.675 108.800 0.025 0.000 2.615 21 G HA2 -0.397 3.555 3.960 -0.014 0.000 0.218 21 G HA3 -0.397 3.555 3.960 -0.014 0.000 0.218 21 G C 0.401 175.362 174.900 0.101 0.000 1.339 21 G CA 0.323 45.456 45.100 0.056 0.000 0.884 21 G HN 0.243 nan 8.290 nan 0.000 0.559 22 Q N -0.452 119.393 119.800 0.075 0.000 2.291 22 Q HA 0.011 4.343 4.340 -0.014 0.000 0.205 22 Q C 1.901 177.933 176.000 0.053 0.000 0.970 22 Q CA 2.410 58.257 55.803 0.074 0.000 0.876 22 Q CB -0.268 28.504 28.738 0.057 0.000 0.935 22 Q HN 0.585 nan 8.270 nan 0.000 0.455 23 D N -0.212 120.217 120.400 0.049 0.000 2.116 23 D HA -0.196 4.436 4.640 -0.014 0.000 0.193 23 D C 1.321 177.622 176.300 0.002 0.000 0.998 23 D CA 1.307 55.321 54.000 0.024 0.000 0.836 23 D CB -0.378 40.439 40.800 0.029 0.000 0.951 23 D HN 0.380 nan 8.370 nan 0.000 0.449 24 F N 1.259 121.143 119.950 -0.111 0.000 2.102 24 F HA -0.111 4.408 4.527 -0.014 0.000 0.298 24 F C 2.198 177.878 175.800 -0.199 0.000 1.105 24 F CA 1.617 59.510 58.000 -0.179 0.000 1.239 24 F CB -0.428 38.474 39.000 -0.164 0.000 0.991 24 F HN -0.051 nan 8.300 nan 0.000 0.474 25 A N 0.410 123.159 122.820 -0.118 0.000 1.908 25 A HA -0.109 4.203 4.320 -0.014 0.000 0.218 25 A C 2.388 179.781 177.584 -0.320 0.000 1.181 25 A CA 2.050 53.973 52.037 -0.191 0.000 0.627 25 A CB -1.577 17.453 19.000 0.050 0.000 0.818 25 A HN 0.528 nan 8.150 nan 0.000 0.445 26 A N -1.429 121.261 122.820 -0.216 0.000 1.897 26 A HA 0.074 4.386 4.320 -0.014 0.000 0.215 26 A C 0.981 178.280 177.584 -0.475 0.000 1.181 26 A CA 1.612 53.468 52.037 -0.303 0.000 0.620 26 A CB -0.066 18.945 19.000 0.018 0.000 0.821 26 A HN 0.383 nan 8.150 nan 0.000 0.443 27 D N -1.849 118.331 120.400 -0.368 0.000 2.405 27 D HA 0.282 4.914 4.640 -0.014 0.000 0.264 27 D C -2.248 173.761 176.300 -0.486 0.000 1.240 27 D CA -1.587 52.220 54.000 -0.322 0.000 0.893 27 D CB 1.337 42.060 40.800 -0.128 0.000 1.198 27 D HN 0.077 nan 8.370 nan 0.000 0.514 28 P HA -0.046 nan 4.420 nan 0.000 0.240 28 P C 1.050 177.833 177.300 -0.862 0.000 1.190 28 P CA 0.305 62.667 63.100 -1.230 0.000 0.781 28 P CB 0.215 30.856 31.700 -1.765 0.000 0.931 29 Y N 1.379 121.496 120.300 -0.304 0.000 2.128 29 Y HA -0.127 4.415 4.550 -0.013 0.000 0.284 29 Y C -0.113 175.764 175.900 -0.038 0.000 1.154 29 Y CA 1.743 59.797 58.100 -0.076 0.000 1.149 29 Y CB -2.719 35.724 38.460 -0.029 0.000 0.976 29 Y HN 0.149 nan 8.280 nan 0.000 0.505 30 P HA -0.129 nan 4.420 nan 0.000 0.216 30 P C 1.475 178.784 177.300 0.015 0.000 1.150 30 P CA 2.118 65.239 63.100 0.034 0.000 0.837 30 P CB -0.109 31.589 31.700 -0.003 0.000 0.786 31 T N -1.444 113.080 114.554 -0.050 0.000 2.674 31 T HA -0.187 4.154 4.350 -0.014 0.000 0.265 31 T C 1.606 176.309 174.700 0.005 0.000 1.039 31 T CA 1.463 63.532 62.100 -0.051 0.000 1.150 31 T CB -1.185 67.662 68.868 -0.035 0.000 0.864 31 T HN 0.198 nan 8.240 nan 0.000 0.427 32 Y N 1.170 121.510 120.300 0.067 0.000 2.181 32 Y HA -0.083 4.459 4.550 -0.014 0.000 0.288 32 Y C 2.862 178.786 175.900 0.040 0.000 1.146 32 Y CA 0.402 58.526 58.100 0.041 0.000 1.164 32 Y CB -0.328 38.160 38.460 0.046 0.000 0.982 32 Y HN 0.206 nan 8.280 nan 0.000 0.515 33 A N 0.378 123.331 122.820 0.223 0.000 1.930 33 A HA -0.181 4.130 4.320 -0.014 0.000 0.217 33 A C 2.177 179.822 177.584 0.102 0.000 1.175 33 A CA 1.400 53.539 52.037 0.170 0.000 0.627 33 A CB -0.656 18.456 19.000 0.187 0.000 0.815 33 A HN 0.415 nan 8.150 nan 0.000 0.443 34 R N -0.072 120.467 120.500 0.065 0.000 2.080 34 R HA -0.123 4.209 4.340 -0.014 0.000 0.236 34 R C 1.974 178.264 176.300 -0.017 0.000 1.137 34 R CA 1.771 57.886 56.100 0.024 0.000 0.943 34 R CB -0.498 29.804 30.300 0.002 0.000 0.846 34 R HN 0.526 nan 8.270 nan 0.000 0.431 35 L N 0.229 121.396 121.223 -0.094 0.000 2.013 35 L HA -0.230 4.102 4.340 -0.014 0.000 0.212 35 L C 2.949 179.752 176.870 -0.112 0.000 1.073 35 L CA 1.752 56.378 54.840 -0.357 0.000 0.753 35 L CB -0.673 41.047 42.059 -0.566 0.000 0.890 35 L HN 0.305 nan 8.230 nan 0.000 0.432 36 R N 0.378 120.909 120.500 0.051 0.000 2.105 36 R HA -0.184 4.148 4.340 -0.014 0.000 0.239 36 R C 2.298 178.682 176.300 0.139 0.000 1.135 36 R CA 1.433 57.621 56.100 0.146 0.000 0.967 36 R CB -0.232 30.149 30.300 0.135 0.000 0.861 36 R HN 0.389 nan 8.270 nan 0.000 0.442 37 A N 0.851 123.732 122.820 0.103 0.000 2.019 37 A HA -0.182 4.130 4.320 -0.014 0.000 0.219 37 A C 1.778 179.427 177.584 0.107 0.000 1.164 37 A CA 1.555 53.647 52.037 0.093 0.000 0.644 37 A CB -0.243 18.800 19.000 0.072 0.000 0.805 37 A HN 0.507 nan 8.150 nan 0.000 0.449 38 E N -1.297 118.989 120.200 0.143 0.000 2.086 38 E HA 0.326 4.667 4.350 -0.014 0.000 0.190 38 E C 1.036 177.756 176.600 0.200 0.000 0.975 38 E CA 0.451 56.961 56.400 0.183 0.000 0.813 38 E CB 0.039 29.883 29.700 0.240 0.000 0.768 38 E HN 0.587 nan 8.360 nan 0.000 0.457 39 G N -0.383 108.581 108.800 0.273 0.000 2.322 39 G HA2 0.079 4.031 3.960 -0.014 0.000 0.295 39 G HA3 0.079 4.031 3.960 -0.014 0.000 0.295 39 G C -2.609 172.395 174.900 0.172 0.000 1.369 39 G CA -0.759 44.422 45.100 0.134 0.000 0.821 39 G HN -0.244 nan 8.290 nan 0.000 0.536 40 P HA 0.287 nan 4.420 nan 0.000 0.230 40 P C 0.506 177.820 177.300 0.024 0.000 1.168 40 P CA 1.250 64.382 63.100 0.054 0.000 0.793 40 P CB 0.748 32.453 31.700 0.009 0.000 0.851 41 A N 0.192 122.904 122.820 -0.181 0.000 2.422 41 A HA 0.688 4.999 4.320 -0.014 0.000 0.302 41 A C -0.989 176.449 177.584 -0.244 0.000 1.041 41 A CA -0.520 51.491 52.037 -0.044 0.000 0.708 41 A CB 1.075 20.098 19.000 0.039 0.000 1.257 41 A HN 0.072 nan 8.150 nan 0.000 0.414 42 H N 1.077 120.354 119.070 0.346 0.000 2.865 42 H HA 0.343 4.891 4.556 -0.014 0.000 0.362 42 H C -0.780 174.492 175.328 -0.093 0.000 1.114 42 H CA -0.672 55.462 56.048 0.144 0.000 1.208 42 H CB 1.929 31.736 29.762 0.075 0.000 1.727 42 H HN 0.777 nan 8.280 nan 0.000 0.534 43 R N 2.135 122.397 120.500 -0.396 0.000 2.298 43 R HA 0.388 4.719 4.340 -0.014 0.000 0.310 43 R C -0.299 175.812 176.300 -0.315 0.000 1.068 43 R CA -0.400 55.263 56.100 -0.728 0.000 0.957 43 R CB 0.396 30.102 30.300 -0.989 0.000 1.003 43 R HN 0.468 nan 8.270 nan 0.000 0.454 44 V N 0.910 120.674 119.914 -0.249 0.000 3.158 44 V HA 0.658 4.770 4.120 -0.014 0.000 0.311 44 V C -1.033 174.982 176.094 -0.132 0.000 1.181 44 V CA -1.221 60.993 62.300 -0.144 0.000 1.054 44 V CB 2.027 33.804 31.823 -0.076 0.000 1.085 44 V HN 0.782 nan 8.190 nan 0.000 0.446 45 R N 1.411 121.848 120.500 -0.105 0.000 2.393 45 R HA 0.607 4.938 4.340 -0.014 0.000 0.315 45 R C 0.069 176.334 176.300 -0.058 0.000 0.952 45 R CA 0.159 56.214 56.100 -0.074 0.000 0.842 45 R CB 1.502 31.760 30.300 -0.070 0.000 1.163 45 R HN 1.160 nan 8.270 nan 0.000 0.450 46 T N 1.681 116.228 114.554 -0.012 0.000 2.813 46 T HA 0.212 4.554 4.350 -0.014 0.000 0.297 46 T C -1.602 173.108 174.700 0.017 0.000 1.036 46 T CA -1.453 60.661 62.100 0.022 0.000 1.044 46 T CB 0.977 69.898 68.868 0.088 0.000 0.993 46 T HN 0.402 nan 8.240 nan 0.000 0.535 47 P HA -0.093 nan 4.420 nan 0.000 0.218 47 P C 0.726 178.060 177.300 0.056 0.000 1.146 47 P CA 1.132 64.255 63.100 0.038 0.000 0.813 47 P CB -0.010 31.744 31.700 0.091 0.000 0.778 48 E N -1.804 118.443 120.200 0.078 0.000 2.489 48 E HA 0.262 4.604 4.350 -0.014 0.000 0.193 48 E C 1.527 178.166 176.600 0.066 0.000 1.057 48 E CA 0.720 57.169 56.400 0.082 0.000 0.866 48 E CB -0.595 29.170 29.700 0.108 0.000 0.916 48 E HN 0.255 nan 8.360 nan 0.000 0.500 49 G N 0.308 109.137 108.800 0.048 0.000 2.218 49 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.216 49 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.216 49 G C -0.054 174.867 174.900 0.035 0.000 0.994 49 G CA -0.392 44.728 45.100 0.033 0.000 0.637 49 G HN 0.186 nan 8.290 nan 0.000 0.505 50 N N 2.064 120.799 118.700 0.058 0.000 2.497 50 N HA 0.323 5.055 4.740 -0.014 0.000 0.271 50 N C -0.125 175.394 175.510 0.015 0.000 1.142 50 N CA 0.171 53.258 53.050 0.062 0.000 0.965 50 N CB 0.764 39.323 38.487 0.120 0.000 1.077 50 N HN 0.362 nan 8.380 nan 0.000 0.462 51 E N 1.444 121.640 120.200 -0.006 0.000 2.223 51 E HA 0.250 4.592 4.350 -0.014 0.000 0.282 51 E C 0.271 176.827 176.600 -0.074 0.000 1.046 51 E CA -0.411 55.952 56.400 -0.061 0.000 0.857 51 E CB 0.983 30.642 29.700 -0.067 0.000 1.055 51 E HN 0.405 nan 8.360 nan 0.000 0.409 52 V N -0.526 119.314 119.914 -0.123 0.000 3.206 52 V HA 0.612 4.724 4.120 -0.014 0.000 0.305 52 V C -1.496 174.509 176.094 -0.147 0.000 1.257 52 V CA -1.287 60.962 62.300 -0.086 0.000 1.057 52 V CB 1.564 33.338 31.823 -0.081 0.000 1.075 52 V HN 0.521 nan 8.190 nan 0.000 0.443 53 W N 1.133 122.409 121.300 -0.039 0.000 2.469 53 W HA 0.814 5.465 4.660 -0.015 0.000 0.320 53 W C -0.418 176.093 176.519 -0.013 0.000 1.086 53 W CA -0.592 56.749 57.345 -0.007 0.000 1.211 53 W CB 1.469 30.929 29.460 -0.001 0.000 1.298 53 W HN 0.531 nan 8.180 nan 0.000 0.525 54 L N 3.813 125.183 121.223 0.244 0.000 2.295 54 L HA 0.534 4.866 4.340 -0.014 0.000 0.285 54 L C -0.276 176.699 176.870 0.176 0.000 1.035 54 L CA -1.202 53.733 54.840 0.157 0.000 0.806 54 L CB 0.860 43.005 42.059 0.145 0.000 1.214 54 L HN 0.036 nan 8.230 nan 0.000 0.426 55 V N 4.316 124.261 119.914 0.051 0.000 2.370 55 V HA 0.414 4.526 4.120 -0.014 0.000 0.279 55 V C 0.175 176.256 176.094 -0.022 0.000 1.029 55 V CA -0.538 61.767 62.300 0.008 0.000 0.870 55 V CB 1.758 33.515 31.823 -0.109 0.000 0.984 55 V HN 0.566 nan 8.190 nan 0.000 0.451 56 V N 1.776 121.718 119.914 0.046 0.000 3.046 56 V HA 1.113 5.225 4.120 -0.014 0.000 0.316 56 V C 0.151 176.271 176.094 0.043 0.000 1.104 56 V CA -0.357 61.958 62.300 0.026 0.000 1.006 56 V CB 1.263 33.140 31.823 0.091 0.000 1.058 56 V HN 1.682 nan 8.190 nan 0.000 0.440 57 G N 0.313 109.145 108.800 0.054 0.000 2.895 57 G HA2 -0.210 3.742 3.960 -0.014 0.000 0.686 57 G HA3 -0.210 3.742 3.960 -0.014 0.000 0.686 57 G C -0.597 174.352 174.900 0.081 0.000 1.108 57 G CA 0.290 45.445 45.100 0.092 0.000 0.761 57 G HN 1.854 nan 8.290 nan 0.000 0.611 58 Y N 1.354 121.674 120.300 0.033 0.000 2.097 58 Y HA -0.176 4.366 4.550 -0.013 0.000 0.282 58 Y C 2.493 178.392 175.900 -0.003 0.000 1.152 58 Y CA 2.795 60.914 58.100 0.032 0.000 1.136 58 Y CB 0.051 38.541 38.460 0.051 0.000 0.975 58 Y HN 0.632 nan 8.280 nan 0.000 0.498 59 D N -0.402 120.077 120.400 0.133 0.000 2.117 59 D HA -0.166 4.465 4.640 -0.014 0.000 0.197 59 D C 2.257 178.506 176.300 -0.085 0.000 0.987 59 D CA 1.445 55.467 54.000 0.035 0.000 0.829 59 D CB -0.331 40.523 40.800 0.091 0.000 0.961 59 D HN 0.204 nan 8.370 nan 0.000 0.460 60 R N 0.950 121.415 120.500 -0.058 0.000 2.092 60 R HA 0.026 4.358 4.340 -0.014 0.000 0.231 60 R C 1.985 178.195 176.300 -0.150 0.000 1.119 60 R CA 1.479 57.531 56.100 -0.081 0.000 0.970 60 R CB -0.613 29.660 30.300 -0.045 0.000 0.864 60 R HN 0.079 nan 8.270 nan 0.000 0.440 61 A N 0.620 123.332 122.820 -0.180 0.000 1.865 61 A HA -0.205 4.107 4.320 -0.014 0.000 0.217 61 A C 2.240 179.674 177.584 -0.250 0.000 1.191 61 A CA 1.735 53.637 52.037 -0.225 0.000 0.623 61 A CB -0.674 18.186 19.000 -0.234 0.000 0.826 61 A HN 0.410 nan 8.150 nan 0.000 0.444 62 R N -0.448 119.835 120.500 -0.362 0.000 2.083 62 R HA -0.149 4.183 4.340 -0.014 0.000 0.237 62 R C 2.333 178.584 176.300 -0.083 0.000 1.137 62 R CA 1.666 57.581 56.100 -0.309 0.000 0.951 62 R CB -0.471 29.496 30.300 -0.555 0.000 0.851 62 R HN 0.450 nan 8.270 nan 0.000 0.434 63 A N 0.120 122.879 122.820 -0.101 0.000 1.883 63 A HA -0.128 4.184 4.320 -0.014 0.000 0.217 63 A C 2.288 179.829 177.584 -0.071 0.000 1.186 63 A CA 1.763 53.778 52.037 -0.035 0.000 0.624 63 A CB -0.627 18.352 19.000 -0.036 0.000 0.822 63 A HN 0.254 nan 8.150 nan 0.000 0.444 64 V N 0.062 119.860 119.914 -0.195 0.000 2.427 64 V HA -0.229 3.883 4.120 -0.014 0.000 0.248 64 V C 2.533 178.444 176.094 -0.305 0.000 1.051 64 V CA 1.746 63.797 62.300 -0.414 0.000 1.048 64 V CB -0.717 30.696 31.823 -0.683 0.000 0.666 64 V HN 0.568 nan 8.190 nan 0.000 0.456 65 L N 0.116 121.237 121.223 -0.169 0.000 2.081 65 L HA -0.202 4.129 4.340 -0.014 0.000 0.212 65 L C 2.332 179.180 176.870 -0.036 0.000 1.080 65 L CA 1.825 56.617 54.840 -0.080 0.000 0.754 65 L CB -0.510 41.563 42.059 0.024 0.000 0.893 65 L HN 0.402 nan 8.230 nan 0.000 0.433 66 A N -2.093 120.716 122.820 -0.019 0.000 2.348 66 A HA -0.000 4.312 4.320 -0.014 0.000 0.224 66 A C 0.498 178.074 177.584 -0.014 0.000 1.227 66 A CA -0.196 51.799 52.037 -0.071 0.000 0.885 66 A CB -0.106 18.788 19.000 -0.177 0.000 0.933 66 A HN 0.218 nan 8.150 nan 0.000 0.506 67 D N 0.931 121.352 120.400 0.035 0.000 2.325 67 D HA 0.217 4.849 4.640 -0.014 0.000 0.251 67 D C -1.722 174.671 176.300 0.155 0.000 1.196 67 D CA -2.016 52.053 54.000 0.115 0.000 0.866 67 D CB 1.405 42.329 40.800 0.207 0.000 1.101 67 D HN 0.077 nan 8.370 nan 0.000 0.476 68 P HA 0.003 nan 4.420 nan 0.000 0.242 68 P C 0.947 178.268 177.300 0.036 0.000 1.197 68 P CA 0.284 63.417 63.100 0.056 0.000 0.765 68 P CB 0.333 32.045 31.700 0.019 0.000 0.936 69 R N -0.990 119.528 120.500 0.031 0.000 2.189 69 R HA 0.018 4.350 4.340 -0.014 0.000 0.223 69 R C 0.233 176.358 176.300 -0.292 0.000 1.092 69 R CA 0.680 56.694 56.100 -0.142 0.000 0.989 69 R CB -0.329 29.835 30.300 -0.226 0.000 0.876 69 R HN 0.218 nan 8.270 nan 0.000 0.457 70 F N 0.297 120.212 119.950 -0.058 0.000 2.332 70 F HA 0.226 4.745 4.527 -0.014 0.000 0.368 70 F C 0.508 176.266 175.800 -0.071 0.000 1.110 70 F CA -0.619 57.333 58.000 -0.080 0.000 1.087 70 F CB 1.482 40.413 39.000 -0.115 0.000 1.235 70 F HN -0.213 nan 8.300 nan 0.000 0.470 71 S N 2.483 118.227 115.700 0.074 0.000 2.610 71 S HA 0.337 4.799 4.470 -0.014 0.000 0.273 71 S C 0.837 175.443 174.600 0.009 0.000 1.274 71 S CA -0.580 57.664 58.200 0.073 0.000 1.023 71 S CB 0.874 64.137 63.200 0.106 0.000 0.962 71 S HN 0.726 nan 8.310 nan 0.000 0.523 72 K N 1.173 121.575 120.400 0.003 0.000 2.358 72 K HA 0.157 4.469 4.320 -0.014 0.000 0.200 72 K C -0.439 176.209 176.600 0.080 0.000 1.030 72 K CA -0.201 56.021 56.287 -0.110 0.000 1.097 72 K CB 0.270 32.620 32.500 -0.250 0.000 0.862 72 K HN 0.543 nan 8.250 nan 0.000 0.534 73 D N -0.300 120.207 120.400 0.178 0.000 2.280 73 D HA 0.012 4.644 4.640 -0.014 0.000 0.243 73 D C 0.367 176.760 176.300 0.156 0.000 1.129 73 D CA -0.431 53.681 54.000 0.186 0.000 0.848 73 D CB 0.580 41.462 40.800 0.137 0.000 1.107 73 D HN 0.021 nan 8.370 nan 0.000 0.471 74 W N 3.278 124.637 121.300 0.098 0.000 2.387 74 W HA -0.089 4.566 4.660 -0.007 0.000 0.272 74 W C 2.256 178.655 176.519 -0.200 0.000 1.224 74 W CA 0.211 57.476 57.345 -0.134 0.000 1.210 74 W CB -0.089 29.327 29.460 -0.073 0.000 1.125 74 W HN 0.418 nan 8.180 nan 0.000 0.572 75 R N 0.037 120.592 120.500 0.093 0.000 2.200 75 R HA -0.147 4.185 4.340 -0.014 0.000 0.234 75 R C 1.109 177.383 176.300 -0.042 0.000 1.127 75 R CA 1.158 57.274 56.100 0.026 0.000 0.989 75 R CB -0.433 29.892 30.300 0.043 0.000 0.869 75 R HN 0.213 nan 8.270 nan 0.000 0.459 76 N N -0.090 118.555 118.700 -0.091 0.000 2.270 76 N HA -0.011 4.721 4.740 -0.014 0.000 0.198 76 N C -0.192 175.141 175.510 -0.295 0.000 1.117 76 N CA 0.193 53.175 53.050 -0.113 0.000 0.845 76 N CB 0.882 39.367 38.487 -0.002 0.000 0.980 76 N HN -0.035 nan 8.380 nan 0.000 0.486 77 S N 0.093 115.434 115.700 -0.598 0.000 2.508 77 S HA 0.209 4.671 4.470 -0.014 0.000 0.284 77 S C 1.409 175.832 174.600 -0.295 0.000 1.192 77 S CA -0.548 57.158 58.200 -0.824 0.000 1.070 77 S CB 0.987 63.224 63.200 -1.605 0.000 1.004 77 S HN 0.331 nan 8.310 nan 0.000 0.493 78 T N 1.085 115.538 114.554 -0.168 0.000 3.113 78 T HA 0.102 4.444 4.350 -0.014 0.000 0.256 78 T C 0.608 175.308 174.700 0.000 0.000 1.131 78 T CA 0.269 62.336 62.100 -0.054 0.000 1.074 78 T CB -0.467 68.392 68.868 -0.016 0.000 0.944 78 T HN 0.524 nan 8.240 nan 0.000 0.516 79 T N 4.771 119.341 114.554 0.027 0.000 2.743 79 T HA 0.467 4.808 4.350 -0.014 0.000 0.293 79 T C -2.616 172.205 174.700 0.202 0.000 0.945 79 T CA -1.152 61.036 62.100 0.146 0.000 1.030 79 T CB 1.267 70.303 68.868 0.281 0.000 0.912 79 T HN 0.203 nan 8.240 nan 0.000 0.483 80 P HA 0.327 nan 4.420 nan 0.000 0.278 80 P C -0.314 176.959 177.300 -0.046 0.000 1.238 80 P CA -0.700 62.426 63.100 0.043 0.000 0.794 80 P CB 0.564 32.269 31.700 0.008 0.000 0.955 81 L N 1.513 122.624 121.223 -0.188 0.000 2.426 81 L HA 0.198 4.530 4.340 -0.014 0.000 0.271 81 L C 1.507 178.247 176.870 -0.216 0.000 1.169 81 L CA -0.119 54.492 54.840 -0.381 0.000 0.836 81 L CB 0.101 41.862 42.059 -0.498 0.000 1.112 81 L HN 0.494 nan 8.230 nan 0.000 0.465 82 T N -1.603 112.824 114.554 -0.212 0.000 2.766 82 T HA 0.062 4.404 4.350 -0.014 0.000 0.295 82 T C 1.049 175.662 174.700 -0.145 0.000 1.024 82 T CA -0.073 61.943 62.100 -0.141 0.000 1.018 82 T CB 0.870 69.665 68.868 -0.121 0.000 1.002 82 T HN 0.799 nan 8.240 nan 0.000 0.532 83 E N 1.086 121.224 120.200 -0.105 0.000 2.077 83 E HA -0.124 4.218 4.350 -0.014 0.000 0.193 83 E C 2.275 178.805 176.600 -0.117 0.000 0.989 83 E CA 1.166 57.509 56.400 -0.095 0.000 0.800 83 E CB -0.803 28.856 29.700 -0.068 0.000 0.746 83 E HN 0.736 nan 8.360 nan 0.000 0.452 84 A N 1.075 123.820 122.820 -0.124 0.000 1.902 84 A HA -0.235 4.077 4.320 -0.014 0.000 0.217 84 A C 2.047 179.510 177.584 -0.201 0.000 1.181 84 A CA 1.760 53.709 52.037 -0.146 0.000 0.623 84 A CB -0.564 18.357 19.000 -0.133 0.000 0.818 84 A HN 0.401 nan 8.150 nan 0.000 0.443 85 E N -0.319 119.741 120.200 -0.232 0.000 2.072 85 E HA -0.045 4.297 4.350 -0.014 0.000 0.191 85 E C 2.235 178.652 176.600 -0.304 0.000 0.985 85 E CA 0.912 57.124 56.400 -0.313 0.000 0.801 85 E CB -0.287 29.177 29.700 -0.394 0.000 0.750 85 E HN 0.604 nan 8.360 nan 0.000 0.452 86 A N 1.208 123.877 122.820 -0.250 0.000 2.070 86 A HA -0.081 4.230 4.320 -0.014 0.000 0.220 86 A C 2.284 179.821 177.584 -0.077 0.000 1.159 86 A CA 1.419 53.350 52.037 -0.176 0.000 0.656 86 A CB -0.491 18.435 19.000 -0.123 0.000 0.800 86 A HN 0.282 nan 8.150 nan 0.000 0.453 87 A N -1.016 121.740 122.820 -0.107 0.000 2.119 87 A HA 0.217 4.529 4.320 -0.014 0.000 0.217 87 A C 1.768 179.307 177.584 -0.074 0.000 1.153 87 A CA 1.150 53.141 52.037 -0.077 0.000 0.692 87 A CB -0.271 18.663 19.000 -0.110 0.000 0.799 87 A HN 0.471 nan 8.150 nan 0.000 0.458 88 L N -0.318 120.816 121.223 -0.148 0.000 2.817 88 L HA 0.084 4.416 4.340 -0.014 0.000 0.248 88 L C 1.702 178.523 176.870 -0.082 0.000 1.133 88 L CA 0.338 55.042 54.840 -0.226 0.000 0.935 88 L CB 0.004 41.712 42.059 -0.584 0.000 1.266 88 L HN 0.533 nan 8.230 nan 0.000 0.535 89 N N -0.962 117.702 118.700 -0.059 0.000 2.398 89 N HA -0.124 4.608 4.740 -0.014 0.000 0.188 89 N C 0.506 175.983 175.510 -0.055 0.000 1.122 89 N CA 0.262 53.273 53.050 -0.066 0.000 0.866 89 N CB -0.132 38.236 38.487 -0.198 0.000 0.970 89 N HN 0.393 nan 8.380 nan 0.000 0.462 90 H N 1.141 120.245 119.070 0.057 0.000 2.970 90 H HA 0.128 4.676 4.556 -0.013 0.000 0.226 90 H C -0.304 175.085 175.328 0.101 0.000 1.909 90 H CA -0.114 55.983 56.048 0.080 0.000 1.388 90 H CB -0.553 29.238 29.762 0.049 0.000 1.773 90 H HN 0.551 nan 8.280 nan 0.000 0.559 91 N N -0.369 118.435 118.700 0.173 0.000 2.455 91 N HA 0.104 4.836 4.740 -0.014 0.000 0.278 91 N C 1.146 176.761 175.510 0.175 0.000 1.291 91 N CA -0.954 52.199 53.050 0.171 0.000 0.780 91 N CB 0.976 39.578 38.487 0.191 0.000 1.520 91 N HN 0.095 nan 8.380 nan 0.000 0.486 92 M N -0.809 118.887 119.600 0.159 0.000 2.213 92 M HA 0.015 4.487 4.480 -0.014 0.000 0.263 92 M C 0.808 177.349 176.300 0.401 0.000 1.062 92 M CA 1.418 56.851 55.300 0.221 0.000 1.105 92 M CB -0.344 32.298 32.600 0.070 0.000 1.385 92 M HN 0.487 nan 8.290 nan 0.000 0.417 93 L N 1.374 122.755 121.223 0.263 0.000 2.291 93 L HA 0.054 4.386 4.340 -0.014 0.000 0.214 93 L C 0.860 177.768 176.870 0.062 0.000 1.120 93 L CA 1.651 56.594 54.840 0.171 0.000 0.799 93 L CB -0.396 41.715 42.059 0.086 0.000 0.925 93 L HN 0.404 nan 8.230 nan 0.000 0.446 94 E N -0.896 119.402 120.200 0.163 0.000 2.723 94 E HA 0.281 4.622 4.350 -0.014 0.000 0.219 94 E C -0.427 176.294 176.600 0.202 0.000 1.060 94 E CA -0.163 56.349 56.400 0.187 0.000 1.291 94 E CB 0.367 30.256 29.700 0.315 0.000 1.265 94 E HN 0.182 nan 8.360 nan 0.000 0.438 95 S N 0.332 116.172 115.700 0.234 0.000 2.588 95 S HA 0.393 4.854 4.470 -0.014 0.000 0.275 95 S C -1.005 173.774 174.600 0.299 0.000 1.130 95 S CA -0.997 57.353 58.200 0.250 0.000 0.855 95 S CB 1.987 65.350 63.200 0.272 0.000 1.116 95 S HN 0.096 nan 8.310 nan 0.000 0.472 96 D N 1.127 121.658 120.400 0.217 0.000 2.392 96 D HA 0.518 5.150 4.640 -0.014 0.000 0.246 96 D C -2.723 173.675 176.300 0.163 0.000 1.013 96 D CA -1.742 52.361 54.000 0.171 0.000 0.993 96 D CB 0.609 41.478 40.800 0.115 0.000 1.219 96 D HN 0.105 nan 8.370 nan 0.000 0.538 97 P HA 0.098 nan 4.420 nan 0.000 0.269 97 P C -1.603 175.745 177.300 0.080 0.000 1.209 97 P CA -0.641 62.521 63.100 0.103 0.000 0.776 97 P CB 0.246 31.982 31.700 0.060 0.000 0.876 98 P HA 0.054 nan 4.420 nan 0.000 0.239 98 P C 1.384 178.732 177.300 0.080 0.000 1.188 98 P CA 0.626 63.767 63.100 0.069 0.000 0.794 98 P CB 0.358 32.087 31.700 0.048 0.000 0.937 99 R N 0.135 120.693 120.500 0.097 0.000 2.091 99 R HA -0.193 4.138 4.340 -0.014 0.000 0.238 99 R C 2.448 178.808 176.300 0.101 0.000 1.136 99 R CA 1.312 57.471 56.100 0.099 0.000 0.959 99 R CB -0.915 29.457 30.300 0.120 0.000 0.856 99 R HN 0.264 nan 8.270 nan 0.000 0.437 100 H N 0.075 119.183 119.070 0.064 0.000 2.319 100 H HA -0.105 4.442 4.556 -0.014 0.000 0.297 100 H C 1.327 176.664 175.328 0.015 0.000 1.097 100 H CA 2.323 58.400 56.048 0.048 0.000 1.285 100 H CB -0.027 29.739 29.762 0.006 0.000 1.368 100 H HN 0.233 nan 8.280 nan 0.000 0.495 101 T N 0.958 115.519 114.554 0.013 0.000 2.708 101 T HA -0.161 4.181 4.350 -0.014 0.000 0.266 101 T C 2.168 176.826 174.700 -0.069 0.000 1.037 101 T CA 1.553 63.640 62.100 -0.022 0.000 1.146 101 T CB -0.239 68.658 68.868 0.048 0.000 0.865 101 T HN 0.363 nan 8.240 nan 0.000 0.435 102 R N 0.753 121.236 120.500 -0.028 0.000 2.073 102 R HA -0.016 4.315 4.340 -0.014 0.000 0.234 102 R C 2.442 178.720 176.300 -0.037 0.000 1.134 102 R CA 1.233 57.323 56.100 -0.017 0.000 0.952 102 R CB -0.488 29.818 30.300 0.011 0.000 0.850 102 R HN 0.356 nan 8.270 nan 0.000 0.433 103 L N 0.064 121.254 121.223 -0.054 0.000 2.017 103 L HA -0.155 4.177 4.340 -0.014 0.000 0.208 103 L C 2.907 179.727 176.870 -0.082 0.000 1.073 103 L CA 1.653 56.465 54.840 -0.047 0.000 0.745 103 L CB -0.477 41.571 42.059 -0.018 0.000 0.894 103 L HN 0.262 nan 8.230 nan 0.000 0.432 104 R N 0.624 121.003 120.500 -0.203 0.000 2.096 104 R HA -0.175 4.157 4.340 -0.014 0.000 0.235 104 R C 2.265 178.529 176.300 -0.061 0.000 1.127 104 R CA 1.385 57.381 56.100 -0.174 0.000 0.968 104 R CB -0.004 30.096 30.300 -0.333 0.000 0.861 104 R HN 0.223 nan 8.270 nan 0.000 0.440 105 K N 0.153 120.520 120.400 -0.056 0.000 2.209 105 K HA -0.113 4.199 4.320 -0.014 0.000 0.204 105 K C 1.902 178.506 176.600 0.008 0.000 1.048 105 K CA 1.166 57.445 56.287 -0.013 0.000 0.940 105 K CB -0.065 32.427 32.500 -0.013 0.000 0.729 105 K HN 0.236 nan 8.250 nan 0.000 0.451 106 L N 0.296 121.524 121.223 0.008 0.000 2.191 106 L HA -0.132 4.199 4.340 -0.014 0.000 0.212 106 L C 1.858 178.756 176.870 0.046 0.000 1.103 106 L CA 0.851 55.705 54.840 0.024 0.000 0.769 106 L CB -0.135 41.939 42.059 0.025 0.000 0.908 106 L HN 0.111 nan 8.230 nan 0.000 0.438 107 V N -6.345 113.614 119.914 0.076 0.000 3.398 107 V HA 0.395 4.507 4.120 -0.014 0.000 0.298 107 V C 2.059 178.275 176.094 0.204 0.000 1.496 107 V CA 0.367 62.755 62.300 0.146 0.000 1.044 107 V CB 0.065 32.038 31.823 0.249 0.000 0.880 107 V HN 0.095 nan 8.190 nan 0.000 0.443 108 A N 1.930 124.829 122.820 0.132 0.000 1.917 108 A HA -0.218 4.094 4.320 -0.014 0.000 0.219 108 A C 2.313 179.973 177.584 0.127 0.000 1.182 108 A CA 2.442 54.563 52.037 0.140 0.000 0.633 108 A CB -0.586 18.457 19.000 0.073 0.000 0.819 108 A HN 0.590 nan 8.150 nan 0.000 0.448 109 R N -0.407 120.131 120.500 0.062 0.000 2.193 109 R HA -0.079 4.253 4.340 -0.014 0.000 0.229 109 R C 1.541 177.822 176.300 -0.032 0.000 1.110 109 R CA 1.132 57.242 56.100 0.017 0.000 0.988 109 R CB -0.153 30.146 30.300 -0.002 0.000 0.871 109 R HN 0.533 nan 8.270 nan 0.000 0.458 110 E N -0.358 119.794 120.200 -0.080 0.000 2.358 110 E HA -0.079 4.262 4.350 -0.014 0.000 0.195 110 E C 0.672 176.966 176.600 -0.510 0.000 1.010 110 E CA 0.912 57.111 56.400 -0.336 0.000 0.856 110 E CB 0.186 29.568 29.700 -0.529 0.000 0.795 110 E HN 0.369 nan 8.360 nan 0.000 0.504 111 F N 0.642 120.588 119.950 -0.006 0.000 2.724 111 F HA 0.062 4.580 4.527 -0.014 0.000 0.310 111 F C 0.934 176.730 175.800 -0.007 0.000 1.107 111 F CA -0.444 57.551 58.000 -0.009 0.000 1.218 111 F CB 0.489 39.483 39.000 -0.009 0.000 1.042 111 F HN -0.229 nan 8.300 nan 0.000 0.540 112 T N -2.103 112.510 114.554 0.097 0.000 2.856 112 T HA -0.010 4.332 4.350 -0.014 0.000 0.306 112 T C 1.498 176.227 174.700 0.047 0.000 1.062 112 T CA -0.487 61.653 62.100 0.067 0.000 1.083 112 T CB 1.151 70.039 68.868 0.034 0.000 0.984 112 T HN 0.296 nan 8.240 nan 0.000 0.542 113 M N 0.687 120.312 119.600 0.042 0.000 2.106 113 M HA -0.148 4.324 4.480 -0.014 0.000 0.259 113 M C 2.705 179.015 176.300 0.017 0.000 1.068 113 M CA 1.746 57.065 55.300 0.031 0.000 1.100 113 M CB -0.293 32.324 32.600 0.029 0.000 1.351 113 M HN 0.825 nan 8.290 nan 0.000 0.404 114 R N -0.239 120.267 120.500 0.011 0.000 2.083 114 R HA -0.244 4.088 4.340 -0.014 0.000 0.237 114 R C 2.193 178.487 176.300 -0.010 0.000 1.137 114 R CA 2.190 58.290 56.100 0.001 0.000 0.951 114 R CB -0.262 30.038 30.300 -0.001 0.000 0.851 114 R HN 0.225 nan 8.270 nan 0.000 0.434 115 R N 0.017 120.506 120.500 -0.019 0.000 2.092 115 R HA -0.038 4.294 4.340 -0.014 0.000 0.231 115 R C 2.073 178.344 176.300 -0.047 0.000 1.119 115 R CA 1.356 57.430 56.100 -0.045 0.000 0.970 115 R CB -0.492 29.764 30.300 -0.074 0.000 0.864 115 R HN 0.127 nan 8.270 nan 0.000 0.440 116 V N 0.730 120.628 119.914 -0.026 0.000 2.515 116 V HA -0.152 3.960 4.120 -0.014 0.000 0.250 116 V C 2.075 178.165 176.094 -0.006 0.000 1.058 116 V CA 1.965 64.257 62.300 -0.013 0.000 1.064 116 V CB -0.462 31.378 31.823 0.028 0.000 0.675 116 V HN 0.353 nan 8.190 nan 0.000 0.461 117 E N 0.451 120.650 120.200 -0.002 0.000 2.204 117 E HA -0.160 4.181 4.350 -0.014 0.000 0.195 117 E C 1.940 178.536 176.600 -0.007 0.000 0.990 117 E CA 1.095 57.495 56.400 0.000 0.000 0.821 117 E CB -0.381 29.321 29.700 0.003 0.000 0.750 117 E HN 0.593 nan 8.360 nan 0.000 0.477 118 L N -0.098 121.115 121.223 -0.016 0.000 2.353 118 L HA -0.114 4.218 4.340 -0.014 0.000 0.220 118 L C 1.902 178.760 176.870 -0.021 0.000 1.133 118 L CA 0.563 55.391 54.840 -0.020 0.000 0.798 118 L CB -0.274 41.769 42.059 -0.028 0.000 0.922 118 L HN 0.208 nan 8.230 nan 0.000 0.445 119 L N -0.840 120.370 121.223 -0.021 0.000 2.509 119 L HA -0.032 4.299 4.340 -0.014 0.000 0.222 119 L C 2.606 179.471 176.870 -0.010 0.000 1.123 119 L CA 0.177 55.005 54.840 -0.020 0.000 0.856 119 L CB -0.405 41.641 42.059 -0.023 0.000 0.985 119 L HN 0.243 nan 8.230 nan 0.000 0.456 120 R N 1.316 121.813 120.500 -0.005 0.000 2.096 120 R HA -0.195 4.137 4.340 -0.014 0.000 0.240 120 R C -0.473 175.826 176.300 -0.002 0.000 1.139 120 R CA 1.983 58.083 56.100 0.000 0.000 0.952 120 R CB -1.107 29.195 30.300 0.003 0.000 0.854 120 R HN 0.198 nan 8.270 nan 0.000 0.436 121 P HA -0.159 nan 4.420 nan 0.000 0.215 121 P C 0.763 178.059 177.300 -0.007 0.000 1.153 121 P CA 1.329 64.426 63.100 -0.006 0.000 0.853 121 P CB -0.093 31.603 31.700 -0.007 0.000 0.788 122 R N 0.032 120.527 120.500 -0.009 0.000 2.066 122 R HA -0.073 4.259 4.340 -0.014 0.000 0.232 122 R C 1.943 178.237 176.300 -0.009 0.000 1.131 122 R CA 1.584 57.678 56.100 -0.011 0.000 0.955 122 R CB -1.553 28.739 30.300 -0.015 0.000 0.851 122 R HN -0.026 nan 8.270 nan 0.000 0.432 123 V N 0.878 120.788 119.914 -0.007 0.000 2.343 123 V HA -0.240 3.871 4.120 -0.014 0.000 0.247 123 V C 2.358 178.450 176.094 -0.004 0.000 1.051 123 V CA 2.123 64.420 62.300 -0.005 0.000 1.036 123 V CB -0.660 31.164 31.823 0.002 0.000 0.654 123 V HN 0.375 nan 8.190 nan 0.000 0.451 124 Q N 0.519 120.318 119.800 -0.003 0.000 2.096 124 Q HA -0.251 4.081 4.340 -0.014 0.000 0.204 124 Q C 2.196 178.192 176.000 -0.007 0.000 0.982 124 Q CA 2.362 58.163 55.803 -0.004 0.000 0.850 124 Q CB -0.377 28.359 28.738 -0.003 0.000 0.901 124 Q HN 0.736 nan 8.270 nan 0.000 0.422 125 E N -0.628 119.568 120.200 -0.007 0.000 2.077 125 E HA -0.177 4.165 4.350 -0.014 0.000 0.193 125 E C 1.919 178.515 176.600 -0.007 0.000 0.989 125 E CA 1.284 57.680 56.400 -0.007 0.000 0.800 125 E CB -0.193 29.504 29.700 -0.006 0.000 0.746 125 E HN 0.492 nan 8.360 nan 0.000 0.452 126 I N 0.350 120.915 120.570 -0.008 0.000 2.127 126 I HA -0.289 3.873 4.170 -0.014 0.000 0.241 126 I C 2.403 178.516 176.117 -0.007 0.000 1.075 126 I CA 0.898 62.194 61.300 -0.008 0.000 1.334 126 I CB -0.251 37.742 38.000 -0.012 0.000 1.040 126 I HN 0.074 nan 8.210 nan 0.000 0.405 127 V N 0.759 120.668 119.914 -0.008 0.000 2.343 127 V HA -0.309 3.803 4.120 -0.014 0.000 0.247 127 V C 2.098 178.182 176.094 -0.018 0.000 1.051 127 V CA 2.051 64.345 62.300 -0.010 0.000 1.036 127 V CB -0.726 31.092 31.823 -0.008 0.000 0.654 127 V HN 0.402 nan 8.190 nan 0.000 0.451 128 D N 0.746 121.136 120.400 -0.017 0.000 2.116 128 D HA -0.148 4.484 4.640 -0.014 0.000 0.193 128 D C 2.209 178.497 176.300 -0.020 0.000 0.998 128 D CA 1.800 55.788 54.000 -0.021 0.000 0.836 128 D CB -0.741 40.050 40.800 -0.015 0.000 0.951 128 D HN 0.465 nan 8.370 nan 0.000 0.449 129 G N 0.373 109.166 108.800 -0.011 0.000 2.418 129 G HA2 -0.190 3.762 3.960 -0.014 0.000 0.217 129 G HA3 -0.190 3.762 3.960 -0.014 0.000 0.217 129 G C 1.793 176.691 174.900 -0.004 0.000 1.158 129 G CA 0.310 45.407 45.100 -0.005 0.000 0.771 129 G HN 0.254 nan 8.290 nan 0.000 0.545 130 L N 0.114 121.334 121.223 -0.004 0.000 2.093 130 L HA -0.040 4.292 4.340 -0.014 0.000 0.208 130 L C 2.951 179.811 176.870 -0.016 0.000 1.085 130 L CA 0.332 55.174 54.840 0.003 0.000 0.755 130 L CB -0.258 41.807 42.059 0.010 0.000 0.904 130 L HN 0.094 nan 8.230 nan 0.000 0.435 131 V N -0.548 119.341 119.914 -0.041 0.000 2.453 131 V HA -0.239 3.873 4.120 -0.014 0.000 0.247 131 V C 2.049 178.091 176.094 -0.087 0.000 1.048 131 V CA 1.544 63.791 62.300 -0.088 0.000 1.049 131 V CB -0.466 31.295 31.823 -0.104 0.000 0.672 131 V HN 0.401 nan 8.190 nan 0.000 0.457 132 D N 0.895 121.265 120.400 -0.049 0.000 2.116 132 D HA -0.185 4.447 4.640 -0.014 0.000 0.193 132 D C 2.226 178.522 176.300 -0.007 0.000 0.998 132 D CA 1.895 55.877 54.000 -0.029 0.000 0.836 132 D CB -0.350 40.443 40.800 -0.012 0.000 0.951 132 D HN 0.445 nan 8.370 nan 0.000 0.449 133 A N 0.581 123.403 122.820 0.004 0.000 1.930 133 A HA -0.118 4.194 4.320 -0.014 0.000 0.217 133 A C 2.197 179.811 177.584 0.050 0.000 1.175 133 A CA 1.419 53.473 52.037 0.029 0.000 0.627 133 A CB -0.576 18.443 19.000 0.032 0.000 0.815 133 A HN 0.220 nan 8.150 nan 0.000 0.443 134 M N -0.529 119.087 119.600 0.027 0.000 2.159 134 M HA -0.053 4.419 4.480 -0.014 0.000 0.263 134 M C 1.621 178.003 176.300 0.136 0.000 1.063 134 M CA 1.480 56.819 55.300 0.064 0.000 1.110 134 M CB -0.213 32.365 32.600 -0.037 0.000 1.374 134 M HN 0.394 nan 8.290 nan 0.000 0.411 135 L N -0.145 121.080 121.223 0.003 0.000 2.465 135 L HA -0.061 4.270 4.340 -0.014 0.000 0.224 135 L C 2.402 179.402 176.870 0.218 0.000 1.145 135 L CA 0.503 55.384 54.840 0.069 0.000 0.834 135 L CB -0.682 41.324 42.059 -0.088 0.000 0.944 135 L HN 0.363 nan 8.230 nan 0.000 0.451 136 A N 0.274 123.186 122.820 0.154 0.000 2.167 136 A HA 0.190 4.501 4.320 -0.014 0.000 0.214 136 A C 1.434 179.101 177.584 0.138 0.000 1.151 136 A CA 0.527 52.637 52.037 0.123 0.000 0.735 136 A CB -0.354 18.692 19.000 0.077 0.000 0.802 136 A HN 0.276 nan 8.150 nan 0.000 0.467 137 A N 0.995 123.934 122.820 0.198 0.000 2.526 137 A HA 0.403 4.715 4.320 -0.014 0.000 0.267 137 A C -0.764 176.863 177.584 0.072 0.000 1.095 137 A CA -0.689 51.428 52.037 0.134 0.000 0.775 137 A CB -0.177 18.914 19.000 0.152 0.000 1.036 137 A HN 0.253 nan 8.150 nan 0.000 0.510 138 P HA -0.219 nan 4.420 nan 0.000 0.216 138 P C 0.791 178.057 177.300 -0.056 0.000 1.157 138 P CA 1.861 64.960 63.100 -0.002 0.000 0.880 138 P CB 0.091 31.787 31.700 -0.006 0.000 0.791 139 D N -2.049 118.291 120.400 -0.100 0.000 2.349 139 D HA 0.069 4.701 4.640 -0.014 0.000 0.224 139 D C 1.180 177.282 176.300 -0.331 0.000 1.029 139 D CA 0.667 54.567 54.000 -0.167 0.000 0.879 139 D CB -1.151 39.563 40.800 -0.142 0.000 0.906 139 D HN 0.211 nan 8.370 nan 0.000 0.528 140 G N 0.636 109.170 108.800 -0.442 0.000 2.273 140 G HA2 -0.335 3.617 3.960 -0.014 0.000 0.280 140 G HA3 -0.335 3.617 3.960 -0.014 0.000 0.280 140 G C -0.058 173.908 174.900 -1.557 0.000 1.047 140 G CA 0.117 44.527 45.100 -1.150 0.000 0.869 140 G HN 0.484 nan 8.290 nan 0.000 0.502 141 R N -0.614 119.371 120.500 -0.859 0.000 2.803 141 R HA 0.872 5.204 4.340 -0.014 0.000 0.276 141 R C -0.036 176.174 176.300 -0.150 0.000 0.978 141 R CA 0.013 55.807 56.100 -0.509 0.000 0.939 141 R CB 2.151 32.297 30.300 -0.256 0.000 1.179 141 R HN 0.921 nan 8.270 nan 0.000 0.472 142 A N 0.967 123.824 122.820 0.061 0.000 2.608 142 A HA 0.296 4.607 4.320 -0.014 0.000 0.292 142 A C -1.879 175.776 177.584 0.118 0.000 1.066 142 A CA -0.775 51.368 52.037 0.178 0.000 0.676 142 A CB 1.760 20.993 19.000 0.387 0.000 1.277 142 A HN 0.636 nan 8.150 nan 0.000 0.413 143 D N 1.238 121.685 120.400 0.079 0.000 2.339 143 D HA 0.281 4.913 4.640 -0.014 0.000 0.241 143 D C 0.957 177.301 176.300 0.073 0.000 1.183 143 D CA -0.410 53.618 54.000 0.048 0.000 0.859 143 D CB 0.977 41.785 40.800 0.012 0.000 1.067 143 D HN 0.386 nan 8.370 nan 0.000 0.484 144 L N 4.966 126.234 121.223 0.075 0.000 2.127 144 L HA -0.132 4.199 4.340 -0.014 0.000 0.211 144 L C 1.904 178.821 176.870 0.079 0.000 1.089 144 L CA 1.672 56.560 54.840 0.079 0.000 0.757 144 L CB -0.652 41.449 42.059 0.070 0.000 0.899 144 L HN 0.595 nan 8.230 nan 0.000 0.434 145 M N -0.181 119.458 119.600 0.064 0.000 2.084 145 M HA -0.244 4.228 4.480 -0.014 0.000 0.259 145 M C 2.282 178.673 176.300 0.151 0.000 1.072 145 M CA 2.329 57.689 55.300 0.100 0.000 1.107 145 M CB -0.787 31.844 32.600 0.053 0.000 1.299 145 M HN 0.443 nan 8.290 nan 0.000 0.413 146 E N -1.087 119.174 120.200 0.101 0.000 2.118 146 E HA -0.173 4.169 4.350 -0.014 0.000 0.195 146 E C 1.712 178.393 176.600 0.136 0.000 0.992 146 E CA 1.727 58.190 56.400 0.104 0.000 0.804 146 E CB -0.093 29.634 29.700 0.046 0.000 0.741 146 E HN 0.599 nan 8.360 nan 0.000 0.458 147 S N -0.193 115.574 115.700 0.112 0.000 2.414 147 S HA -0.028 4.434 4.470 -0.014 0.000 0.227 147 S C 1.548 176.203 174.600 0.093 0.000 1.022 147 S CA 0.910 59.169 58.200 0.100 0.000 0.958 147 S CB 0.191 63.446 63.200 0.092 0.000 0.797 147 S HN 0.306 nan 8.310 nan 0.000 0.493 148 L N -0.637 120.646 121.223 0.101 0.000 2.567 148 L HA 0.540 4.872 4.340 -0.014 0.000 0.228 148 L C 1.838 178.763 176.870 0.091 0.000 1.046 148 L CA 0.877 55.762 54.840 0.076 0.000 1.013 148 L CB -0.934 41.149 42.059 0.040 0.000 1.944 148 L HN 0.064 nan 8.230 nan 0.000 0.510 149 A N 0.006 122.896 122.820 0.117 0.000 1.898 149 A HA -0.204 4.108 4.320 -0.014 0.000 0.216 149 A C 2.112 179.786 177.584 0.150 0.000 1.181 149 A CA 1.813 53.921 52.037 0.118 0.000 0.620 149 A CB -1.186 17.887 19.000 0.122 0.000 0.819 149 A HN 0.742 nan 8.150 nan 0.000 0.442 150 W N 1.683 123.025 121.300 0.070 0.000 2.413 150 W HA -0.075 4.576 4.660 -0.015 0.000 0.315 150 W C -1.251 175.340 176.519 0.118 0.000 1.186 150 W CA 2.075 59.482 57.345 0.103 0.000 1.326 150 W CB -1.066 28.448 29.460 0.090 0.000 1.153 150 W HN 0.291 nan 8.180 nan 0.000 0.489 151 P HA -0.177 nan 4.420 nan 0.000 0.219 151 P C 1.956 179.175 177.300 -0.136 0.000 1.150 151 P CA 1.320 64.388 63.100 -0.054 0.000 0.814 151 P CB -0.414 31.370 31.700 0.141 0.000 0.787 152 L N 1.239 122.413 121.223 -0.082 0.000 1.976 152 L HA 0.017 4.349 4.340 -0.014 0.000 0.209 152 L C -0.836 175.966 176.870 -0.112 0.000 1.071 152 L CA 2.715 57.516 54.840 -0.067 0.000 0.746 152 L CB -2.361 39.685 42.059 -0.021 0.000 0.890 152 L HN -0.036 nan 8.230 nan 0.000 0.432 153 P HA -0.140 nan 4.420 nan 0.000 0.217 153 P C 2.018 179.179 177.300 -0.232 0.000 1.150 153 P CA 1.350 64.372 63.100 -0.130 0.000 0.832 153 P CB -0.149 31.510 31.700 -0.069 0.000 0.787 154 I N -0.729 119.595 120.570 -0.410 0.000 2.315 154 I HA -0.188 3.974 4.170 -0.014 0.000 0.248 154 I C 1.718 177.662 176.117 -0.288 0.000 1.117 154 I CA 1.935 62.938 61.300 -0.496 0.000 1.404 154 I CB -1.094 36.466 38.000 -0.732 0.000 1.071 154 I HN -0.104 nan 8.210 nan 0.000 0.419 155 T N -0.222 114.212 114.554 -0.200 0.000 2.674 155 T HA -0.142 4.199 4.350 -0.014 0.000 0.265 155 T C 2.023 176.666 174.700 -0.094 0.000 1.039 155 T CA 1.872 63.904 62.100 -0.114 0.000 1.150 155 T CB -0.533 68.294 68.868 -0.068 0.000 0.864 155 T HN 0.189 nan 8.240 nan 0.000 0.427 156 V N 1.135 120.997 119.914 -0.087 0.000 2.261 156 V HA -0.124 3.988 4.120 -0.014 0.000 0.246 156 V C 2.367 178.425 176.094 -0.060 0.000 1.047 156 V CA 1.452 63.718 62.300 -0.057 0.000 1.015 156 V CB -0.537 31.265 31.823 -0.035 0.000 0.642 156 V HN 0.356 nan 8.190 nan 0.000 0.446 157 I N -0.295 120.224 120.570 -0.085 0.000 2.439 157 I HA -0.149 4.012 4.170 -0.014 0.000 0.251 157 I C 2.456 178.516 176.117 -0.095 0.000 1.139 157 I CA 1.427 62.685 61.300 -0.069 0.000 1.438 157 I CB -0.189 37.759 38.000 -0.087 0.000 1.085 157 I HN 0.186 nan 8.210 nan 0.000 0.427 158 S N 0.208 115.822 115.700 -0.144 0.000 2.382 158 S HA -0.179 4.283 4.470 -0.014 0.000 0.228 158 S C 1.854 176.416 174.600 -0.063 0.000 1.027 158 S CA 1.400 59.522 58.200 -0.129 0.000 0.991 158 S CB -0.335 62.778 63.200 -0.144 0.000 0.823 158 S HN 0.544 nan 8.310 nan 0.000 0.469 159 E N 0.837 121.004 120.200 -0.054 0.000 2.106 159 E HA -0.051 4.290 4.350 -0.014 0.000 0.192 159 E C 2.000 178.581 176.600 -0.032 0.000 0.984 159 E CA 0.766 57.145 56.400 -0.034 0.000 0.806 159 E CB -0.222 29.459 29.700 -0.033 0.000 0.750 159 E HN 0.424 nan 8.360 nan 0.000 0.458 160 L N 0.548 121.749 121.223 -0.037 0.000 2.056 160 L HA -0.158 4.174 4.340 -0.014 0.000 0.207 160 L C 2.362 179.215 176.870 -0.028 0.000 1.078 160 L CA 0.542 55.356 54.840 -0.043 0.000 0.749 160 L CB -0.207 41.822 42.059 -0.049 0.000 0.901 160 L HN 0.208 nan 8.230 nan 0.000 0.433 161 L N -0.533 120.683 121.223 -0.011 0.000 2.131 161 L HA 0.072 4.404 4.340 -0.014 0.000 0.206 161 L C 1.293 178.171 176.870 0.012 0.000 1.087 161 L CA 1.637 56.483 54.840 0.009 0.000 0.767 161 L CB -1.183 40.886 42.059 0.017 0.000 0.917 161 L HN 0.518 nan 8.230 nan 0.000 0.441 162 G N -0.050 108.754 108.800 0.008 0.000 2.327 162 G HA2 -0.154 3.798 3.960 -0.014 0.000 0.159 162 G HA3 -0.154 3.798 3.960 -0.014 0.000 0.159 162 G C -0.236 174.694 174.900 0.051 0.000 1.056 162 G CA -0.134 44.979 45.100 0.022 0.000 0.751 162 G HN 0.042 nan 8.290 nan 0.000 0.488 163 V N 1.280 121.222 119.914 0.047 0.000 2.385 163 V HA 0.387 4.499 4.120 -0.014 0.000 0.269 163 V C -1.408 174.743 176.094 0.095 0.000 1.043 163 V CA -1.541 60.825 62.300 0.109 0.000 0.906 163 V CB 1.349 33.200 31.823 0.046 0.000 0.995 163 V HN 0.207 nan 8.190 nan 0.000 0.467 164 P HA 0.037 nan 4.420 nan 0.000 0.269 164 P C 0.996 178.347 177.300 0.084 0.000 1.209 164 P CA -0.025 63.135 63.100 0.100 0.000 0.776 164 P CB 0.724 32.496 31.700 0.121 0.000 0.876 165 E N 4.313 124.546 120.200 0.054 0.000 2.114 165 E HA -0.198 4.143 4.350 -0.014 0.000 0.199 165 E C -0.924 175.706 176.600 0.050 0.000 1.008 165 E CA 2.282 58.708 56.400 0.044 0.000 0.810 165 E CB -1.757 27.962 29.700 0.032 0.000 0.739 165 E HN 0.359 nan 8.360 nan 0.000 0.456 166 P HA -0.023 nan 4.420 nan 0.000 0.230 166 P C 0.195 177.512 177.300 0.029 0.000 1.158 166 P CA 0.935 64.058 63.100 0.038 0.000 0.769 166 P CB 0.003 31.727 31.700 0.040 0.000 0.807 167 D N -1.443 118.994 120.400 0.060 0.000 2.350 167 D HA 0.073 4.704 4.640 -0.014 0.000 0.213 167 D C 1.808 178.142 176.300 0.058 0.000 1.031 167 D CA 0.297 54.310 54.000 0.020 0.000 0.861 167 D CB -0.098 40.795 40.800 0.155 0.000 0.926 167 D HN 0.155 nan 8.370 nan 0.000 0.520 168 R N 0.677 121.239 120.500 0.103 0.000 2.119 168 R HA 0.112 4.443 4.340 -0.014 0.000 0.222 168 R C 2.127 178.554 176.300 0.212 0.000 1.088 168 R CA 0.969 57.173 56.100 0.173 0.000 0.984 168 R CB -0.069 30.277 30.300 0.075 0.000 0.884 168 R HN 0.042 nan 8.270 nan 0.000 0.447 169 A N 1.550 124.415 122.820 0.074 0.000 1.933 169 A HA -0.113 4.199 4.320 -0.014 0.000 0.218 169 A C 2.378 179.867 177.584 -0.158 0.000 1.175 169 A CA 1.613 53.658 52.037 0.013 0.000 0.628 169 A CB -0.617 18.352 19.000 -0.051 0.000 0.814 169 A HN 0.369 nan 8.150 nan 0.000 0.444 170 A N -1.226 121.369 122.820 -0.376 0.000 2.024 170 A HA -0.063 4.249 4.320 -0.014 0.000 0.220 170 A C 1.873 178.793 177.584 -1.107 0.000 1.164 170 A CA 1.525 52.994 52.037 -0.947 0.000 0.643 170 A CB -0.777 17.407 19.000 -1.360 0.000 0.806 170 A HN 0.489 nan 8.150 nan 0.000 0.451 171 F N -0.580 119.128 119.950 -0.402 0.000 2.146 171 F HA -0.074 4.445 4.527 -0.013 0.000 0.298 171 F C 2.403 178.353 175.800 0.249 0.000 1.096 171 F CA 1.654 59.692 58.000 0.063 0.000 1.275 171 F CB -0.290 38.828 39.000 0.197 0.000 1.008 171 F HN 0.170 nan 8.300 nan 0.000 0.480 172 R N 0.330 121.078 120.500 0.413 0.000 2.127 172 R HA -0.138 4.194 4.340 -0.014 0.000 0.238 172 R C 1.988 178.151 176.300 -0.228 0.000 1.134 172 R CA 1.385 57.441 56.100 -0.074 0.000 0.975 172 R CB -0.397 29.346 30.300 -0.929 0.000 0.865 172 R HN 0.173 nan 8.270 nan 0.000 0.447 173 V N -0.344 119.381 119.914 -0.315 0.000 2.307 173 V HA -0.227 3.885 4.120 -0.014 0.000 0.245 173 V C 2.083 177.976 176.094 -0.335 0.000 1.045 173 V CA 1.505 63.577 62.300 -0.380 0.000 1.024 173 V CB -0.603 30.928 31.823 -0.487 0.000 0.651 173 V HN 0.445 nan 8.190 nan 0.000 0.449 174 W N 0.595 121.675 121.300 -0.368 0.000 2.358 174 W HA -0.111 4.544 4.660 -0.008 0.000 0.303 174 W C 2.631 178.531 176.519 -1.032 0.000 1.208 174 W CA 1.684 58.625 57.345 -0.674 0.000 1.274 174 W CB -1.812 27.282 29.460 -0.609 0.000 1.138 174 W HN 0.271 nan 8.180 nan 0.000 0.515 175 T N 0.422 114.814 114.554 -0.270 0.000 2.708 175 T HA -0.178 4.164 4.350 -0.014 0.000 0.266 175 T C 1.209 175.792 174.700 -0.196 0.000 1.037 175 T CA 1.862 63.893 62.100 -0.116 0.000 1.146 175 T CB -0.497 68.548 68.868 0.295 0.000 0.865 175 T HN -0.072 nan 8.240 nan 0.000 0.435 176 D N 1.336 121.574 120.400 -0.271 0.000 2.158 176 D HA -0.067 4.565 4.640 -0.014 0.000 0.197 176 D C 2.203 177.989 176.300 -0.855 0.000 0.995 176 D CA 1.281 54.932 54.000 -0.581 0.000 0.846 176 D CB -0.373 40.112 40.800 -0.526 0.000 0.941 176 D HN 0.443 nan 8.370 nan 0.000 0.456 177 A N -0.451 122.041 122.820 -0.546 0.000 1.970 177 A HA -0.022 4.290 4.320 -0.014 0.000 0.216 177 A C 2.036 179.553 177.584 -0.111 0.000 1.170 177 A CA 0.443 52.256 52.037 -0.375 0.000 0.645 177 A CB -0.760 18.099 19.000 -0.236 0.000 0.816 177 A HN 0.251 nan 8.150 nan 0.000 0.447 178 F N -1.099 118.808 119.950 -0.073 0.000 2.325 178 F HA -0.071 4.447 4.527 -0.014 0.000 0.299 178 F C 2.161 177.948 175.800 -0.021 0.000 1.090 178 F CA 0.410 58.401 58.000 -0.014 0.000 1.392 178 F CB 0.091 39.126 39.000 0.057 0.000 1.053 178 F HN 0.058 nan 8.300 nan 0.000 0.521 179 V N -0.491 119.475 119.914 0.086 0.000 2.403 179 V HA -0.102 4.010 4.120 -0.014 0.000 0.239 179 V C 0.304 176.451 176.094 0.090 0.000 1.041 179 V CA 1.042 63.397 62.300 0.093 0.000 1.051 179 V CB -0.112 31.767 31.823 0.094 0.000 0.704 179 V HN 0.297 nan 8.190 nan 0.000 0.472 180 F N 1.255 121.094 119.950 -0.185 0.000 2.523 180 F HA 0.637 5.157 4.527 -0.012 0.000 0.322 180 F C -2.676 173.086 175.800 -0.063 0.000 1.361 180 F CA -2.881 55.030 58.000 -0.148 0.000 1.151 180 F CB -0.318 38.493 39.000 -0.314 0.000 1.391 180 F HN 0.028 nan 8.300 nan 0.000 0.566 181 P HA 0.076 nan 4.420 nan 0.000 0.271 181 P C -0.017 177.282 177.300 -0.001 0.000 1.216 181 P CA 0.036 63.080 63.100 -0.094 0.000 0.776 181 P CB 1.429 33.121 31.700 -0.013 0.000 0.881 182 D N 0.687 121.079 120.400 -0.013 0.000 2.117 182 D HA -0.101 4.530 4.640 -0.014 0.000 0.197 182 D C 0.592 176.912 176.300 0.032 0.000 0.987 182 D CA 1.848 55.866 54.000 0.030 0.000 0.829 182 D CB -0.044 40.766 40.800 0.016 0.000 0.961 182 D HN 0.599 nan 8.370 nan 0.000 0.460 183 D N -2.693 117.718 120.400 0.019 0.000 2.583 183 D HA 0.187 4.819 4.640 -0.014 0.000 0.248 183 D C -2.433 173.883 176.300 0.026 0.000 1.209 183 D CA -1.721 52.294 54.000 0.026 0.000 0.848 183 D CB 1.297 42.110 40.800 0.021 0.000 1.431 183 D HN -0.287 nan 8.370 nan 0.000 0.436 184 P HA -0.065 nan 4.420 nan 0.000 0.216 184 P C 1.304 178.619 177.300 0.025 0.000 1.150 184 P CA 2.461 65.581 63.100 0.034 0.000 0.837 184 P CB 0.016 31.736 31.700 0.033 0.000 0.786 185 A N -0.225 122.605 122.820 0.018 0.000 1.972 185 A HA -0.272 4.040 4.320 -0.014 0.000 0.219 185 A C 2.372 179.965 177.584 0.016 0.000 1.169 185 A CA 1.699 53.743 52.037 0.012 0.000 0.635 185 A CB -1.328 17.678 19.000 0.008 0.000 0.810 185 A HN 0.228 nan 8.150 nan 0.000 0.446 186 Q N -0.580 119.229 119.800 0.015 0.000 2.119 186 Q HA -0.101 4.230 4.340 -0.014 0.000 0.201 186 Q C 2.168 178.191 176.000 0.039 0.000 0.972 186 Q CA 1.426 57.236 55.803 0.012 0.000 0.847 186 Q CB -0.311 28.418 28.738 -0.014 0.000 0.903 186 Q HN 0.611 nan 8.270 nan 0.000 0.433 187 A N 0.546 123.403 122.820 0.061 0.000 1.873 187 A HA -0.192 4.120 4.320 -0.014 0.000 0.215 187 A C 2.037 179.704 177.584 0.139 0.000 1.186 187 A CA 1.263 53.391 52.037 0.152 0.000 0.616 187 A CB -0.471 18.614 19.000 0.141 0.000 0.823 187 A HN 0.391 nan 8.150 nan 0.000 0.442 188 Q N -0.278 119.551 119.800 0.049 0.000 2.096 188 Q HA -0.137 4.195 4.340 -0.014 0.000 0.204 188 Q C 2.210 178.210 176.000 0.000 0.000 0.982 188 Q CA 2.098 57.901 55.803 -0.000 0.000 0.850 188 Q CB -1.238 27.489 28.738 -0.018 0.000 0.901 188 Q HN 0.661 nan 8.270 nan 0.000 0.422 189 T N 1.532 116.096 114.554 0.017 0.000 2.708 189 T HA -0.128 4.213 4.350 -0.014 0.000 0.266 189 T C 1.879 176.586 174.700 0.012 0.000 1.037 189 T CA 1.588 63.696 62.100 0.013 0.000 1.146 189 T CB -0.315 68.567 68.868 0.025 0.000 0.865 189 T HN 0.443 nan 8.240 nan 0.000 0.435 190 A N 1.494 124.353 122.820 0.065 0.000 1.940 190 A HA -0.072 4.240 4.320 -0.014 0.000 0.219 190 A C 2.362 179.882 177.584 -0.107 0.000 1.176 190 A CA 1.368 53.429 52.037 0.039 0.000 0.631 190 A CB -0.596 18.476 19.000 0.119 0.000 0.814 190 A HN 0.366 nan 8.150 nan 0.000 0.446 191 M N -0.819 118.834 119.600 0.089 0.000 2.099 191 M HA -0.128 4.344 4.480 -0.014 0.000 0.262 191 M C 2.614 178.797 176.300 -0.195 0.000 1.067 191 M CA 1.560 56.822 55.300 -0.065 0.000 1.124 191 M CB -0.926 31.584 32.600 -0.149 0.000 1.353 191 M HN 0.506 nan 8.290 nan 0.000 0.410 192 A N 0.310 123.042 122.820 -0.147 0.000 1.902 192 A HA -0.182 4.129 4.320 -0.014 0.000 0.217 192 A C 1.944 179.425 177.584 -0.171 0.000 1.181 192 A CA 1.758 53.713 52.037 -0.137 0.000 0.623 192 A CB -0.707 18.243 19.000 -0.082 0.000 0.818 192 A HN 0.563 nan 8.150 nan 0.000 0.443 193 E N -0.970 119.103 120.200 -0.212 0.000 2.051 193 E HA -0.207 4.135 4.350 -0.014 0.000 0.192 193 E C 2.078 178.353 176.600 -0.543 0.000 0.991 193 E CA 1.392 57.655 56.400 -0.228 0.000 0.799 193 E CB -0.280 29.392 29.700 -0.047 0.000 0.748 193 E HN 0.734 nan 8.360 nan 0.000 0.449 194 M N 0.704 119.643 119.600 -1.101 0.000 2.117 194 M HA -0.195 4.277 4.480 -0.014 0.000 0.262 194 M C 2.444 178.510 176.300 -0.391 0.000 1.065 194 M CA 1.635 56.185 55.300 -1.250 0.000 1.114 194 M CB -0.041 31.961 32.600 -0.996 0.000 1.361 194 M HN 0.058 nan 8.290 nan 0.000 0.408 195 S N -0.024 115.510 115.700 -0.278 0.000 2.355 195 S HA -0.076 4.386 4.470 -0.014 0.000 0.222 195 S C 1.983 176.528 174.600 -0.091 0.000 1.031 195 S CA 1.598 59.709 58.200 -0.148 0.000 0.993 195 S CB -0.984 62.117 63.200 -0.165 0.000 0.859 195 S HN 0.687 nan 8.310 nan 0.000 0.453 196 G N -0.001 108.747 108.800 -0.086 0.000 2.476 196 G HA2 -0.258 3.694 3.960 -0.014 0.000 0.218 196 G HA3 -0.258 3.694 3.960 -0.014 0.000 0.218 196 G C 1.342 176.249 174.900 0.013 0.000 1.164 196 G CA 1.158 46.241 45.100 -0.028 0.000 0.768 196 G HN 0.661 nan 8.290 nan 0.000 0.560 197 Y N 1.141 121.412 120.300 -0.047 0.000 2.128 197 Y HA -0.053 4.488 4.550 -0.014 0.000 0.284 197 Y C 2.582 178.529 175.900 0.079 0.000 1.154 197 Y CA 1.532 59.666 58.100 0.057 0.000 1.149 197 Y CB -0.368 38.190 38.460 0.163 0.000 0.976 197 Y HN 0.115 nan 8.280 nan 0.000 0.505 198 L N -0.809 120.369 121.223 -0.076 0.000 2.083 198 L HA -0.242 4.090 4.340 -0.014 0.000 0.209 198 L C 2.546 179.333 176.870 -0.138 0.000 1.083 198 L CA 1.545 56.326 54.840 -0.099 0.000 0.752 198 L CB -0.689 41.426 42.059 0.092 0.000 0.899 198 L HN 0.184 nan 8.230 nan 0.000 0.433 199 S N -0.496 115.146 115.700 -0.096 0.000 2.368 199 S HA -0.148 4.314 4.470 -0.014 0.000 0.225 199 S C 2.022 176.563 174.600 -0.098 0.000 1.030 199 S CA 1.092 59.247 58.200 -0.076 0.000 0.999 199 S CB -0.166 63.002 63.200 -0.054 0.000 0.844 199 S HN 0.369 nan 8.310 nan 0.000 0.459 200 R N 0.385 120.804 120.500 -0.133 0.000 2.081 200 R HA -0.038 4.293 4.340 -0.014 0.000 0.235 200 R C 2.321 178.519 176.300 -0.170 0.000 1.131 200 R CA 1.119 57.143 56.100 -0.127 0.000 0.960 200 R CB -0.637 29.607 30.300 -0.093 0.000 0.856 200 R HN 0.270 nan 8.270 nan 0.000 0.436 201 L N 1.345 122.370 121.223 -0.330 0.000 2.012 201 L HA -0.155 4.176 4.340 -0.014 0.000 0.210 201 L C 2.056 178.860 176.870 -0.110 0.000 1.073 201 L CA 1.627 56.312 54.840 -0.258 0.000 0.748 201 L CB -0.352 41.481 42.059 -0.377 0.000 0.891 201 L HN 0.128 nan 8.230 nan 0.000 0.431 202 I N -0.452 120.060 120.570 -0.096 0.000 2.127 202 I HA -0.330 3.832 4.170 -0.014 0.000 0.241 202 I C 2.206 178.301 176.117 -0.036 0.000 1.075 202 I CA 1.843 63.117 61.300 -0.043 0.000 1.334 202 I CB -0.436 37.545 38.000 -0.032 0.000 1.040 202 I HN 0.339 nan 8.210 nan 0.000 0.405 203 D N 0.312 120.686 120.400 -0.043 0.000 2.178 203 D HA -0.180 4.452 4.640 -0.014 0.000 0.201 203 D C 2.277 178.565 176.300 -0.021 0.000 0.980 203 D CA 1.510 55.493 54.000 -0.029 0.000 0.842 203 D CB 0.015 40.798 40.800 -0.028 0.000 0.948 203 D HN 0.322 nan 8.370 nan 0.000 0.472 204 S N -0.841 114.843 115.700 -0.027 0.000 2.474 204 S HA -0.098 4.364 4.470 -0.014 0.000 0.235 204 S C 1.702 176.300 174.600 -0.004 0.000 0.997 204 S CA 0.509 58.702 58.200 -0.012 0.000 0.949 204 S CB -0.147 63.047 63.200 -0.009 0.000 0.766 204 S HN 0.052 nan 8.310 nan 0.000 0.517 205 K N 1.219 121.615 120.400 -0.007 0.000 2.243 205 K HA 0.196 4.508 4.320 -0.014 0.000 0.201 205 K C 0.717 177.317 176.600 -0.001 0.000 1.051 205 K CA 0.204 56.491 56.287 -0.001 0.000 0.970 205 K CB -0.319 32.181 32.500 -0.000 0.000 0.755 205 K HN 0.466 nan 8.250 nan 0.000 0.465 206 R N 0.587 121.085 120.500 -0.004 0.000 2.502 206 R HA 0.041 4.373 4.340 -0.014 0.000 0.292 206 R C 0.879 177.178 176.300 -0.001 0.000 0.998 206 R CA 0.911 57.009 56.100 -0.003 0.000 1.056 206 R CB -0.137 30.160 30.300 -0.005 0.000 0.939 206 R HN 0.451 nan 8.270 nan 0.000 0.411 207 G N 2.282 111.082 108.800 -0.001 0.000 2.168 207 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.263 207 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.263 207 G C 0.694 175.595 174.900 0.001 0.000 0.977 207 G CA 0.149 45.249 45.100 0.000 0.000 0.659 207 G HN 0.588 nan 8.290 nan 0.000 0.533 208 Q N 0.060 119.861 119.800 0.002 0.000 2.356 208 Q HA 0.149 4.481 4.340 -0.014 0.000 0.205 208 Q C 0.820 176.822 176.000 0.003 0.000 0.901 208 Q CA 0.720 56.525 55.803 0.003 0.000 0.938 208 Q CB 0.296 29.038 28.738 0.006 0.000 1.081 208 Q HN 0.628 nan 8.270 nan 0.000 0.517 209 D N 0.148 120.549 120.400 0.001 0.000 2.870 209 D HA -0.138 4.494 4.640 -0.014 0.000 0.228 209 D C 0.406 176.706 176.300 -0.000 0.000 1.147 209 D CA 1.305 55.305 54.000 0.000 0.000 0.757 209 D CB -1.577 39.223 40.800 -0.000 0.000 1.091 209 D HN 0.365 nan 8.370 nan 0.000 0.429 210 G N -0.159 108.641 108.800 0.001 0.000 2.527 210 G HA2 0.296 4.248 3.960 -0.014 0.000 0.248 210 G HA3 0.296 4.248 3.960 -0.014 0.000 0.248 210 G C 0.775 175.673 174.900 -0.003 0.000 1.231 210 G CA -0.362 44.738 45.100 0.000 0.000 0.838 210 G HN 0.189 nan 8.290 nan 0.000 0.570 211 E N -0.278 119.918 120.200 -0.006 0.000 2.498 211 E HA 0.026 4.368 4.350 -0.014 0.000 0.203 211 E C 0.276 176.866 176.600 -0.017 0.000 1.013 211 E CA -0.267 56.126 56.400 -0.012 0.000 0.927 211 E CB 0.384 30.076 29.700 -0.014 0.000 1.012 211 E HN 0.760 nan 8.360 nan 0.000 0.482 212 D N 0.550 120.942 120.400 -0.012 0.000 2.398 212 D HA -0.056 4.576 4.640 -0.014 0.000 0.247 212 D C 1.171 177.461 176.300 -0.016 0.000 1.227 212 D CA -0.414 53.577 54.000 -0.017 0.000 0.980 212 D CB 1.711 42.507 40.800 -0.007 0.000 1.106 212 D HN -0.074 nan 8.370 nan 0.000 0.493 213 L N 0.328 121.539 121.223 -0.021 0.000 2.093 213 L HA -0.109 4.223 4.340 -0.014 0.000 0.208 213 L C 2.111 178.986 176.870 0.009 0.000 1.085 213 L CA 1.215 56.046 54.840 -0.016 0.000 0.755 213 L CB -1.069 40.977 42.059 -0.022 0.000 0.904 213 L HN 0.534 nan 8.230 nan 0.000 0.435 214 L N -1.172 120.061 121.223 0.017 0.000 2.056 214 L HA -0.113 4.218 4.340 -0.014 0.000 0.207 214 L C 2.455 179.334 176.870 0.016 0.000 1.078 214 L CA 1.845 56.701 54.840 0.027 0.000 0.749 214 L CB -0.846 41.233 42.059 0.034 0.000 0.901 214 L HN 0.252 nan 8.230 nan 0.000 0.433 215 S N -0.148 115.557 115.700 0.009 0.000 2.368 215 S HA -0.173 4.288 4.470 -0.014 0.000 0.225 215 S C 2.107 176.710 174.600 0.003 0.000 1.030 215 S CA 1.157 59.360 58.200 0.005 0.000 0.999 215 S CB -0.607 62.594 63.200 0.002 0.000 0.844 215 S HN 0.675 nan 8.310 nan 0.000 0.459 216 A N 1.295 124.116 122.820 0.001 0.000 1.908 216 A HA -0.043 4.269 4.320 -0.014 0.000 0.218 216 A C 2.123 179.711 177.584 0.007 0.000 1.181 216 A CA 1.248 53.285 52.037 0.000 0.000 0.627 216 A CB -0.722 18.274 19.000 -0.007 0.000 0.818 216 A HN 0.457 nan 8.150 nan 0.000 0.445 217 L N -0.679 120.553 121.223 0.014 0.000 2.056 217 L HA -0.145 4.186 4.340 -0.014 0.000 0.207 217 L C 2.533 179.412 176.870 0.015 0.000 1.078 217 L CA 0.928 55.780 54.840 0.020 0.000 0.749 217 L CB -0.527 41.552 42.059 0.033 0.000 0.901 217 L HN 0.241 nan 8.230 nan 0.000 0.433 218 V N -0.083 119.838 119.914 0.012 0.000 2.287 218 V HA -0.318 3.793 4.120 -0.014 0.000 0.248 218 V C 2.638 178.734 176.094 0.004 0.000 1.053 218 V CA 1.863 64.167 62.300 0.006 0.000 1.027 218 V CB -0.639 31.186 31.823 0.003 0.000 0.646 218 V HN 0.416 nan 8.190 nan 0.000 0.447 219 R N -0.450 120.052 120.500 0.003 0.000 2.081 219 R HA -0.145 4.186 4.340 -0.014 0.000 0.235 219 R C 2.428 178.730 176.300 0.003 0.000 1.131 219 R CA 1.908 58.009 56.100 0.002 0.000 0.960 219 R CB -0.791 29.509 30.300 0.000 0.000 0.856 219 R HN 0.511 nan 8.270 nan 0.000 0.436 220 T N 0.271 114.828 114.554 0.005 0.000 2.665 220 T HA -0.214 4.128 4.350 -0.014 0.000 0.268 220 T C 1.929 176.632 174.700 0.006 0.000 1.035 220 T CA 1.925 64.029 62.100 0.006 0.000 1.151 220 T CB -0.317 68.557 68.868 0.010 0.000 0.862 220 T HN 0.251 nan 8.240 nan 0.000 0.438 221 S N 0.593 116.296 115.700 0.006 0.000 2.356 221 S HA -0.158 4.304 4.470 -0.014 0.000 0.223 221 S C 1.781 176.381 174.600 0.000 0.000 1.032 221 S CA 1.456 59.658 58.200 0.004 0.000 1.005 221 S CB -0.569 62.633 63.200 0.004 0.000 0.867 221 S HN 0.376 nan 8.310 nan 0.000 0.449 222 D N 1.061 121.461 120.400 -0.001 0.000 2.144 222 D HA -0.060 4.572 4.640 -0.014 0.000 0.199 222 D C 2.059 178.358 176.300 -0.002 0.000 0.984 222 D CA 1.096 55.095 54.000 -0.002 0.000 0.834 222 D CB -0.375 40.423 40.800 -0.002 0.000 0.955 222 D HN 0.619 nan 8.370 nan 0.000 0.465 223 E N -0.235 119.965 120.200 -0.000 0.000 2.106 223 E HA -0.088 4.254 4.350 -0.014 0.000 0.192 223 E C 0.232 176.832 176.600 0.000 0.000 0.984 223 E CA 0.800 57.200 56.400 0.000 0.000 0.806 223 E CB 0.279 29.980 29.700 0.001 0.000 0.750 223 E HN 0.057 nan 8.360 nan 0.000 0.458 224 D N -1.474 118.927 120.400 0.001 0.000 2.365 224 D HA 0.104 4.736 4.640 -0.014 0.000 0.235 224 D C 0.427 176.728 176.300 0.002 0.000 1.368 224 D CA -0.179 53.822 54.000 0.001 0.000 1.001 224 D CB 1.088 41.890 40.800 0.003 0.000 1.364 224 D HN 0.046 nan 8.370 nan 0.000 0.577 225 G N 1.480 110.279 108.800 -0.001 0.000 2.498 225 G HA2 -0.202 3.750 3.960 -0.014 0.000 0.219 225 G HA3 -0.202 3.750 3.960 -0.014 0.000 0.219 225 G C 1.323 176.223 174.900 -0.000 0.000 1.119 225 G CA 1.167 46.265 45.100 -0.003 0.000 0.766 225 G HN 0.487 nan 8.290 nan 0.000 0.552 226 S N -0.145 115.557 115.700 0.003 0.000 2.470 226 S HA 0.101 4.563 4.470 -0.014 0.000 0.225 226 S C 2.137 176.744 174.600 0.011 0.000 1.006 226 S CA 0.207 58.411 58.200 0.007 0.000 0.934 226 S CB -0.076 63.129 63.200 0.007 0.000 0.778 226 S HN 0.428 nan 8.310 nan 0.000 0.517 227 R N -0.226 120.279 120.500 0.010 0.000 2.127 227 R HA 0.350 4.681 4.340 -0.014 0.000 0.217 227 R C -0.458 175.851 176.300 0.016 0.000 1.074 227 R CA 0.562 56.669 56.100 0.012 0.000 0.991 227 R CB -0.078 30.228 30.300 0.010 0.000 0.895 227 R HN 0.378 nan 8.270 nan 0.000 0.450 228 L N 1.198 122.429 121.223 0.014 0.000 2.611 228 L HA 0.156 4.488 4.340 -0.014 0.000 0.263 228 L C -0.399 176.476 176.870 0.008 0.000 0.969 228 L CA -0.363 54.487 54.840 0.017 0.000 0.894 228 L CB 1.617 43.688 42.059 0.019 0.000 1.229 228 L HN 0.057 nan 8.230 nan 0.000 0.416 229 T N 0.103 114.658 114.554 0.003 0.000 2.813 229 T HA 0.270 4.612 4.350 -0.014 0.000 0.297 229 T C 1.420 176.105 174.700 -0.025 0.000 1.036 229 T CA 0.131 62.220 62.100 -0.019 0.000 1.044 229 T CB 0.994 69.837 68.868 -0.043 0.000 0.993 229 T HN 0.787 nan 8.240 nan 0.000 0.535 230 S N 0.780 116.458 115.700 -0.036 0.000 2.374 230 S HA -0.231 4.231 4.470 -0.014 0.000 0.227 230 S C 1.680 176.251 174.600 -0.049 0.000 1.037 230 S CA 1.486 59.664 58.200 -0.037 0.000 1.024 230 S CB -0.864 62.313 63.200 -0.039 0.000 0.861 230 S HN 0.839 nan 8.310 nan 0.000 0.456 231 E N 1.250 121.392 120.200 -0.096 0.000 2.110 231 E HA -0.150 4.192 4.350 -0.014 0.000 0.193 231 E C 2.268 178.844 176.600 -0.040 0.000 0.988 231 E CA 1.477 57.796 56.400 -0.135 0.000 0.804 231 E CB -0.183 29.288 29.700 -0.382 0.000 0.745 231 E HN 0.745 nan 8.360 nan 0.000 0.458 232 E N 0.429 120.623 120.200 -0.011 0.000 2.152 232 E HA -0.146 4.195 4.350 -0.014 0.000 0.192 232 E C 2.043 178.682 176.600 0.065 0.000 0.983 232 E CA 0.254 56.696 56.400 0.071 0.000 0.818 232 E CB 0.021 29.762 29.700 0.069 0.000 0.758 232 E HN 0.078 nan 8.360 nan 0.000 0.467 233 L N 1.307 122.551 121.223 0.036 0.000 2.012 233 L HA -0.173 4.159 4.340 -0.014 0.000 0.210 233 L C 2.008 178.911 176.870 0.054 0.000 1.073 233 L CA 1.596 56.459 54.840 0.039 0.000 0.748 233 L CB -0.526 41.543 42.059 0.017 0.000 0.891 233 L HN 0.186 nan 8.230 nan 0.000 0.431 234 L N -0.939 120.309 121.223 0.042 0.000 2.017 234 L HA -0.114 4.217 4.340 -0.014 0.000 0.208 234 L C 2.325 179.260 176.870 0.109 0.000 1.073 234 L CA 1.701 56.574 54.840 0.054 0.000 0.745 234 L CB -1.067 41.000 42.059 0.014 0.000 0.894 234 L HN 0.494 nan 8.230 nan 0.000 0.432 235 G N -0.258 108.612 108.800 0.117 0.000 2.422 235 G HA2 -0.369 3.583 3.960 -0.014 0.000 0.218 235 G HA3 -0.369 3.583 3.960 -0.014 0.000 0.218 235 G C 1.472 176.494 174.900 0.204 0.000 1.146 235 G CA 1.026 46.237 45.100 0.186 0.000 0.769 235 G HN 0.329 nan 8.290 nan 0.000 0.547 236 M N 1.491 121.176 119.600 0.142 0.000 2.099 236 M HA 0.222 4.693 4.480 -0.014 0.000 0.262 236 M C 2.714 179.084 176.300 0.118 0.000 1.067 236 M CA 1.718 57.086 55.300 0.114 0.000 1.124 236 M CB -0.504 32.150 32.600 0.090 0.000 1.353 236 M HN 0.207 nan 8.290 nan 0.000 0.410 237 A N -0.601 122.297 122.820 0.130 0.000 1.883 237 A HA -0.268 4.043 4.320 -0.014 0.000 0.217 237 A C 2.340 180.032 177.584 0.181 0.000 1.186 237 A CA 2.186 54.307 52.037 0.141 0.000 0.624 237 A CB -1.560 17.523 19.000 0.138 0.000 0.822 237 A HN 0.813 nan 8.150 nan 0.000 0.444 238 H N -0.905 118.238 119.070 0.122 0.000 2.290 238 H HA -0.147 4.403 4.556 -0.010 0.000 0.298 238 H C 2.075 177.483 175.328 0.132 0.000 1.087 238 H CA 2.066 58.201 56.048 0.144 0.000 1.291 238 H CB -0.238 29.580 29.762 0.094 0.000 1.369 238 H HN 0.354 nan 8.280 nan 0.000 0.492 239 I N 1.165 121.635 120.570 -0.166 0.000 2.252 239 I HA -0.226 3.936 4.170 -0.014 0.000 0.245 239 I C 2.563 178.612 176.117 -0.113 0.000 1.102 239 I CA 0.899 62.068 61.300 -0.218 0.000 1.385 239 I CB -0.402 37.582 38.000 -0.027 0.000 1.064 239 I HN 0.275 nan 8.210 nan 0.000 0.414 240 L N -0.863 120.340 121.223 -0.034 0.000 2.141 240 L HA -0.181 4.150 4.340 -0.014 0.000 0.209 240 L C 2.356 179.218 176.870 -0.014 0.000 1.094 240 L CA 1.049 55.877 54.840 -0.020 0.000 0.763 240 L CB -0.521 41.578 42.059 0.066 0.000 0.908 240 L HN 0.262 nan 8.230 nan 0.000 0.437 241 L N -1.463 119.759 121.223 -0.001 0.000 2.131 241 L HA -0.094 4.238 4.340 -0.014 0.000 0.206 241 L C 2.248 179.139 176.870 0.034 0.000 1.087 241 L CA 0.487 55.318 54.840 -0.016 0.000 0.767 241 L CB -0.083 41.997 42.059 0.035 0.000 0.917 241 L HN 0.007 nan 8.230 nan 0.000 0.441 242 V N -0.784 119.156 119.914 0.044 0.000 2.685 242 V HA 0.011 4.123 4.120 -0.014 0.000 0.244 242 V C 2.528 178.687 176.094 0.109 0.000 1.054 242 V CA 1.219 63.605 62.300 0.144 0.000 1.076 242 V CB -0.062 31.791 31.823 0.050 0.000 0.725 242 V HN 0.369 nan 8.190 nan 0.000 0.467 243 A N 0.644 123.468 122.820 0.006 0.000 1.933 243 A HA -0.049 4.262 4.320 -0.014 0.000 0.218 243 A C 2.133 179.752 177.584 0.058 0.000 1.175 243 A CA 1.871 53.920 52.037 0.019 0.000 0.628 243 A CB -0.778 18.205 19.000 -0.028 0.000 0.814 243 A HN 0.553 nan 8.150 nan 0.000 0.444 244 G N -2.814 106.019 108.800 0.054 0.000 3.189 244 G HA2 0.177 4.129 3.960 -0.014 0.000 0.225 244 G HA3 0.177 4.129 3.960 -0.014 0.000 0.225 244 G C 0.991 175.969 174.900 0.130 0.000 1.159 244 G CA 0.567 45.711 45.100 0.072 0.000 0.763 244 G HN 0.740 nan 8.290 nan 0.000 0.549 245 H N -0.002 119.086 119.070 0.029 0.000 2.275 245 H HA 0.062 4.610 4.556 -0.014 0.000 0.315 245 H C 2.160 177.532 175.328 0.073 0.000 1.058 245 H CA 0.445 56.500 56.048 0.012 0.000 1.387 245 H CB 0.454 30.254 29.762 0.062 0.000 1.435 245 H HN 0.118 nan 8.280 nan 0.000 0.530 246 E N 0.168 120.401 120.200 0.056 0.000 2.171 246 E HA -0.150 4.191 4.350 -0.014 0.000 0.197 246 E C 2.258 178.914 176.600 0.092 0.000 0.997 246 E CA 1.687 58.111 56.400 0.039 0.000 0.810 246 E CB -0.388 29.381 29.700 0.114 0.000 0.738 246 E HN 0.677 nan 8.360 nan 0.000 0.467 247 T N -1.566 113.052 114.554 0.108 0.000 2.668 247 T HA -0.108 4.234 4.350 -0.014 0.000 0.262 247 T C 2.102 176.862 174.700 0.100 0.000 1.045 247 T CA 1.886 64.047 62.100 0.102 0.000 1.152 247 T CB -0.799 68.130 68.868 0.101 0.000 0.864 247 T HN -0.011 nan 8.240 nan 0.000 0.419 248 T N 1.859 116.475 114.554 0.104 0.000 2.821 248 T HA 0.002 4.344 4.350 -0.014 0.000 0.267 248 T C 2.200 176.952 174.700 0.086 0.000 1.046 248 T CA 1.052 63.212 62.100 0.099 0.000 1.139 248 T CB -0.650 68.271 68.868 0.088 0.000 0.871 248 T HN 0.222 nan 8.240 nan 0.000 0.454 249 V N 2.792 122.754 119.914 0.081 0.000 2.282 249 V HA -0.209 3.903 4.120 -0.014 0.000 0.249 249 V C 2.364 178.526 176.094 0.113 0.000 1.057 249 V CA 1.622 63.980 62.300 0.096 0.000 1.032 249 V CB -0.524 31.371 31.823 0.119 0.000 0.645 249 V HN 0.503 nan 8.190 nan 0.000 0.447 250 N N -0.354 118.417 118.700 0.118 0.000 2.354 250 N HA -0.042 4.689 4.740 -0.014 0.000 0.179 250 N C 1.672 177.254 175.510 0.119 0.000 1.021 250 N CA 0.760 53.888 53.050 0.129 0.000 0.887 250 N CB -0.170 38.412 38.487 0.158 0.000 0.974 250 N HN 0.373 nan 8.380 nan 0.000 0.437 251 L N 1.564 122.846 121.223 0.098 0.000 2.012 251 L HA -0.047 4.285 4.340 -0.014 0.000 0.210 251 L C 1.935 178.860 176.870 0.092 0.000 1.073 251 L CA 1.399 56.289 54.840 0.083 0.000 0.748 251 L CB -0.622 41.479 42.059 0.070 0.000 0.891 251 L HN 0.027 nan 8.230 nan 0.000 0.431 252 I N -0.610 120.014 120.570 0.090 0.000 2.252 252 I HA -0.264 3.897 4.170 -0.014 0.000 0.245 252 I C 2.506 178.676 176.117 0.088 0.000 1.102 252 I CA 1.253 62.603 61.300 0.083 0.000 1.385 252 I CB -0.524 37.520 38.000 0.074 0.000 1.064 252 I HN 0.369 nan 8.210 nan 0.000 0.414 253 A N 0.580 123.453 122.820 0.089 0.000 1.898 253 A HA -0.135 4.176 4.320 -0.014 0.000 0.214 253 A C 2.033 179.682 177.584 0.109 0.000 1.183 253 A CA 1.438 53.519 52.037 0.074 0.000 0.622 253 A CB -0.578 18.441 19.000 0.032 0.000 0.824 253 A HN 0.344 nan 8.150 nan 0.000 0.444 254 N N 0.611 119.399 118.700 0.146 0.000 2.104 254 N HA -0.114 4.618 4.740 -0.014 0.000 0.190 254 N C 1.782 177.420 175.510 0.214 0.000 1.024 254 N CA 1.638 54.838 53.050 0.251 0.000 0.853 254 N CB -0.810 37.838 38.487 0.269 0.000 1.008 254 N HN 0.460 nan 8.380 nan 0.000 0.424 255 G N 0.731 109.614 108.800 0.138 0.000 2.404 255 G HA2 -0.182 3.770 3.960 -0.014 0.000 0.215 255 G HA3 -0.182 3.770 3.960 -0.014 0.000 0.215 255 G C 1.436 176.374 174.900 0.065 0.000 1.174 255 G CA 0.589 45.746 45.100 0.096 0.000 0.780 255 G HN 0.115 nan 8.290 nan 0.000 0.537 256 M N -0.406 119.248 119.600 0.091 0.000 2.159 256 M HA 0.018 4.490 4.480 -0.014 0.000 0.263 256 M C 2.300 178.651 176.300 0.085 0.000 1.063 256 M CA 0.638 55.986 55.300 0.081 0.000 1.110 256 M CB -1.166 31.485 32.600 0.085 0.000 1.374 256 M HN 0.398 nan 8.290 nan 0.000 0.411 257 Y N 1.351 121.654 120.300 0.005 0.000 2.145 257 Y HA -0.148 4.394 4.550 -0.014 0.000 0.286 257 Y C 2.383 178.283 175.900 -0.000 0.000 1.145 257 Y CA 1.838 59.941 58.100 0.005 0.000 1.148 257 Y CB -0.646 37.820 38.460 0.009 0.000 0.981 257 Y HN 0.186 nan 8.280 nan 0.000 0.507 258 A N 0.216 122.896 122.820 -0.234 0.000 1.883 258 A HA -0.220 4.092 4.320 -0.014 0.000 0.217 258 A C 2.242 179.498 177.584 -0.548 0.000 1.186 258 A CA 1.973 53.682 52.037 -0.548 0.000 0.624 258 A CB -1.317 17.158 19.000 -0.875 0.000 0.822 258 A HN 0.534 nan 8.150 nan 0.000 0.444 259 L N -0.362 120.686 121.223 -0.293 0.000 2.056 259 L HA -0.053 4.279 4.340 -0.014 0.000 0.207 259 L C 2.279 179.154 176.870 0.009 0.000 1.078 259 L CA 1.621 56.456 54.840 -0.009 0.000 0.749 259 L CB -0.402 41.713 42.059 0.094 0.000 0.901 259 L HN 0.414 nan 8.230 nan 0.000 0.433 260 L N -1.015 120.186 121.223 -0.036 0.000 2.217 260 L HA -0.074 4.258 4.340 -0.014 0.000 0.211 260 L C 2.268 179.084 176.870 -0.090 0.000 1.107 260 L CA 1.082 55.908 54.840 -0.022 0.000 0.783 260 L CB -0.658 41.416 42.059 0.026 0.000 0.919 260 L HN 0.440 nan 8.230 nan 0.000 0.442 261 S N -2.326 113.232 115.700 -0.237 0.000 2.603 261 S HA -0.041 4.421 4.470 -0.014 0.000 0.220 261 S C 0.380 174.709 174.600 -0.452 0.000 0.967 261 S CA -0.052 57.934 58.200 -0.356 0.000 0.920 261 S CB -0.386 62.437 63.200 -0.627 0.000 0.773 261 S HN 0.447 nan 8.310 nan 0.000 0.529 262 H N 1.629 120.615 119.070 -0.139 0.000 2.423 262 H HA 0.354 4.902 4.556 -0.014 0.000 0.237 262 H C -2.081 173.249 175.328 0.002 0.000 1.391 262 H CA -1.653 54.367 56.048 -0.047 0.000 1.453 262 H CB 1.177 30.955 29.762 0.025 0.000 1.484 262 H HN 0.158 nan 8.280 nan 0.000 0.505 263 P HA -0.208 nan 4.420 nan 0.000 0.218 263 P C 1.147 178.478 177.300 0.052 0.000 1.148 263 P CA 1.270 64.393 63.100 0.039 0.000 0.822 263 P CB 0.536 32.242 31.700 0.009 0.000 0.784 264 D N -0.133 120.302 120.400 0.058 0.000 2.144 264 D HA -0.206 4.426 4.640 -0.014 0.000 0.199 264 D C 1.694 178.018 176.300 0.039 0.000 0.984 264 D CA 1.211 55.236 54.000 0.042 0.000 0.834 264 D CB -0.673 40.149 40.800 0.036 0.000 0.955 264 D HN 0.142 nan 8.370 nan 0.000 0.465 265 Q N 0.002 119.848 119.800 0.076 0.000 2.096 265 Q HA 0.008 4.340 4.340 -0.014 0.000 0.197 265 Q C 2.474 178.514 176.000 0.066 0.000 0.964 265 Q CA 0.224 56.056 55.803 0.049 0.000 0.838 265 Q CB -0.620 28.177 28.738 0.098 0.000 0.906 265 Q HN 0.310 nan 8.270 nan 0.000 0.444 266 L N 1.118 122.400 121.223 0.098 0.000 2.013 266 L HA -0.149 4.183 4.340 -0.014 0.000 0.212 266 L C 2.125 179.021 176.870 0.043 0.000 1.073 266 L CA 2.253 57.136 54.840 0.072 0.000 0.753 266 L CB -0.999 41.099 42.059 0.065 0.000 0.890 266 L HN 0.139 nan 8.230 nan 0.000 0.432 267 A N -0.494 122.347 122.820 0.035 0.000 1.877 267 A HA -0.127 4.185 4.320 -0.014 0.000 0.216 267 A C 2.471 180.063 177.584 0.012 0.000 1.186 267 A CA 2.111 54.161 52.037 0.022 0.000 0.620 267 A CB -1.312 17.699 19.000 0.018 0.000 0.822 267 A HN 0.603 nan 8.150 nan 0.000 0.443 268 A N -0.762 122.062 122.820 0.005 0.000 1.940 268 A HA -0.050 4.262 4.320 -0.014 0.000 0.219 268 A C 2.148 179.727 177.584 -0.008 0.000 1.176 268 A CA 1.840 53.872 52.037 -0.008 0.000 0.631 268 A CB -0.571 18.413 19.000 -0.026 0.000 0.814 268 A HN 0.680 nan 8.150 nan 0.000 0.446 269 L N -0.325 120.898 121.223 -0.001 0.000 2.044 269 L HA -0.040 4.292 4.340 -0.014 0.000 0.205 269 L C 2.394 179.269 176.870 0.008 0.000 1.075 269 L CA 1.762 56.603 54.840 0.002 0.000 0.747 269 L CB -0.624 41.444 42.059 0.016 0.000 0.903 269 L HN 0.315 nan 8.230 nan 0.000 0.435 270 R N -0.569 119.939 120.500 0.014 0.000 2.120 270 R HA -0.084 4.247 4.340 -0.014 0.000 0.234 270 R C 2.058 178.363 176.300 0.008 0.000 1.123 270 R CA 1.186 57.294 56.100 0.013 0.000 0.975 270 R CB -0.496 29.815 30.300 0.018 0.000 0.866 270 R HN 0.517 nan 8.270 nan 0.000 0.446 271 A N 0.339 123.162 122.820 0.006 0.000 2.067 271 A HA -0.076 4.236 4.320 -0.014 0.000 0.217 271 A C 0.395 177.979 177.584 -0.000 0.000 1.156 271 A CA 0.745 52.784 52.037 0.003 0.000 0.683 271 A CB 0.308 19.309 19.000 0.001 0.000 0.808 271 A HN 0.133 nan 8.150 nan 0.000 0.455 272 D N -0.930 119.469 120.400 -0.002 0.000 2.364 272 D HA 0.270 4.902 4.640 -0.014 0.000 0.251 272 D C 0.687 176.985 176.300 -0.003 0.000 1.282 272 D CA -0.377 53.621 54.000 -0.004 0.000 0.927 272 D CB 0.178 40.973 40.800 -0.009 0.000 1.267 272 D HN -0.006 nan 8.370 nan 0.000 0.531 273 M N 0.729 120.329 119.600 0.000 0.000 2.549 273 M HA -0.061 4.411 4.480 -0.014 0.000 0.260 273 M C 1.841 178.143 176.300 0.003 0.000 1.076 273 M CA 0.864 56.166 55.300 0.003 0.000 1.090 273 M CB -1.105 31.498 32.600 0.004 0.000 1.418 273 M HN 0.449 nan 8.290 nan 0.000 0.486 274 T N -2.110 112.444 114.554 0.000 0.000 3.051 274 T HA -0.029 4.313 4.350 -0.014 0.000 0.269 274 T C 1.621 176.320 174.700 -0.002 0.000 1.127 274 T CA 0.587 62.688 62.100 0.001 0.000 1.107 274 T CB -0.507 68.360 68.868 -0.001 0.000 0.898 274 T HN 0.412 nan 8.240 nan 0.000 0.517 275 L N -0.034 121.184 121.223 -0.008 0.000 2.610 275 L HA 0.201 4.532 4.340 -0.014 0.000 0.232 275 L C 2.270 179.133 176.870 -0.012 0.000 1.149 275 L CA -0.020 54.810 54.840 -0.017 0.000 0.872 275 L CB -0.585 41.456 42.059 -0.030 0.000 0.992 275 L HN 0.253 nan 8.230 nan 0.000 0.447 276 L N 0.348 121.572 121.223 0.003 0.000 1.990 276 L HA -0.259 4.073 4.340 -0.014 0.000 0.213 276 L C 1.990 178.873 176.870 0.021 0.000 1.072 276 L CA 2.066 56.914 54.840 0.014 0.000 0.755 276 L CB -0.564 41.507 42.059 0.020 0.000 0.889 276 L HN 0.198 nan 8.230 nan 0.000 0.432 277 D N -0.251 120.165 120.400 0.026 0.000 2.123 277 D HA -0.144 4.487 4.640 -0.014 0.000 0.196 277 D C 2.141 178.463 176.300 0.038 0.000 0.992 277 D CA 1.507 55.532 54.000 0.042 0.000 0.833 277 D CB -0.744 40.084 40.800 0.046 0.000 0.954 277 D HN 0.548 nan 8.370 nan 0.000 0.455 278 G N 0.657 109.464 108.800 0.013 0.000 2.422 278 G HA2 -0.180 3.772 3.960 -0.014 0.000 0.218 278 G HA3 -0.180 3.772 3.960 -0.014 0.000 0.218 278 G C 1.717 176.591 174.900 -0.044 0.000 1.146 278 G CA 1.241 46.335 45.100 -0.010 0.000 0.769 278 G HN 0.406 nan 8.290 nan 0.000 0.547 279 A N 0.204 122.998 122.820 -0.044 0.000 1.908 279 A HA 0.037 4.349 4.320 -0.014 0.000 0.218 279 A C 2.600 180.192 177.584 0.014 0.000 1.181 279 A CA 1.902 53.906 52.037 -0.055 0.000 0.627 279 A CB -0.656 18.338 19.000 -0.009 0.000 0.818 279 A HN 0.271 nan 8.150 nan 0.000 0.445 280 V N 0.318 120.257 119.914 0.042 0.000 2.407 280 V HA -0.199 3.912 4.120 -0.014 0.000 0.248 280 V C 2.525 178.643 176.094 0.039 0.000 1.055 280 V CA 2.023 64.363 62.300 0.066 0.000 1.049 280 V CB -0.727 31.146 31.823 0.085 0.000 0.662 280 V HN 0.509 nan 8.190 nan 0.000 0.455 281 E N 0.175 120.397 120.200 0.036 0.000 2.077 281 E HA -0.248 4.094 4.350 -0.014 0.000 0.193 281 E C 2.214 178.734 176.600 -0.133 0.000 0.989 281 E CA 1.494 57.898 56.400 0.008 0.000 0.800 281 E CB -0.197 29.569 29.700 0.110 0.000 0.746 281 E HN 0.697 nan 8.360 nan 0.000 0.452 282 E N 0.504 120.642 120.200 -0.104 0.000 2.208 282 E HA -0.070 4.272 4.350 -0.014 0.000 0.193 282 E C 2.008 178.639 176.600 0.051 0.000 0.988 282 E CA 0.732 57.044 56.400 -0.146 0.000 0.828 282 E CB -0.126 29.373 29.700 -0.334 0.000 0.763 282 E HN 0.184 nan 8.360 nan 0.000 0.478 283 M N -0.341 119.344 119.600 0.141 0.000 2.117 283 M HA -0.127 4.345 4.480 -0.014 0.000 0.262 283 M C 2.105 178.408 176.300 0.005 0.000 1.065 283 M CA 1.290 56.711 55.300 0.201 0.000 1.114 283 M CB -0.270 32.422 32.600 0.154 0.000 1.361 283 M HN 0.163 nan 8.290 nan 0.000 0.408 284 L N -0.704 120.416 121.223 -0.171 0.000 2.042 284 L HA -0.233 4.098 4.340 -0.014 0.000 0.210 284 L C 2.849 179.399 176.870 -0.533 0.000 1.076 284 L CA 1.181 55.785 54.840 -0.393 0.000 0.749 284 L CB -0.650 41.026 42.059 -0.639 0.000 0.893 284 L HN 0.289 nan 8.230 nan 0.000 0.432 285 R N -0.612 119.510 120.500 -0.630 0.000 2.062 285 R HA -0.203 4.129 4.340 -0.014 0.000 0.229 285 R C 2.324 178.379 176.300 -0.409 0.000 1.128 285 R CA 1.807 57.424 56.100 -0.806 0.000 0.960 285 R CB -0.612 29.279 30.300 -0.683 0.000 0.855 285 R HN 0.319 nan 8.270 nan 0.000 0.432 286 Y N 0.406 120.553 120.300 -0.255 0.000 2.243 286 Y HA -0.068 4.473 4.550 -0.013 0.000 0.293 286 Y C 0.501 176.362 175.900 -0.065 0.000 1.124 286 Y CA 1.546 59.579 58.100 -0.112 0.000 1.159 286 Y CB 0.311 38.825 38.460 0.090 0.000 1.008 286 Y HN 0.066 nan 8.280 nan 0.000 0.527 287 E N 0.249 120.420 120.200 -0.050 0.000 4.230 287 E HA 0.277 4.619 4.350 -0.014 0.000 0.218 287 E C -0.150 176.470 176.600 0.034 0.000 1.140 287 E CA -0.014 56.353 56.400 -0.054 0.000 1.405 287 E CB -0.065 29.651 29.700 0.025 0.000 1.193 287 E HN 0.398 nan 8.360 nan 0.000 0.423 288 G N 1.308 110.109 108.800 0.002 0.000 2.664 288 G HA2 0.134 4.086 3.960 -0.014 0.000 0.242 288 G HA3 0.134 4.086 3.960 -0.014 0.000 0.242 288 G C -1.371 173.553 174.900 0.041 0.000 1.225 288 G CA -0.818 44.272 45.100 -0.016 0.000 0.849 288 G HN 0.184 nan 8.290 nan 0.000 0.581 289 P HA -0.007 nan 4.420 nan 0.000 0.227 289 P C 0.419 177.762 177.300 0.071 0.000 1.161 289 P CA 0.316 63.466 63.100 0.082 0.000 0.788 289 P CB 0.304 32.054 31.700 0.083 0.000 0.822 290 V N 2.237 122.175 119.914 0.039 0.000 2.339 290 V HA 0.117 4.229 4.120 -0.014 0.000 0.261 290 V C 1.900 178.008 176.094 0.022 0.000 1.058 290 V CA 0.071 62.392 62.300 0.036 0.000 0.897 290 V CB 0.442 32.278 31.823 0.022 0.000 1.052 290 V HN 0.064 nan 8.190 nan 0.000 0.480 291 E N 3.277 123.490 120.200 0.021 0.000 2.076 291 E HA -0.024 4.318 4.350 -0.014 0.000 0.190 291 E C 0.520 177.083 176.600 -0.062 0.000 0.979 291 E CA 0.729 57.120 56.400 -0.014 0.000 0.807 291 E CB 0.379 30.077 29.700 -0.003 0.000 0.761 291 E HN 0.656 nan 8.360 nan 0.000 0.454 292 S N -0.637 115.049 115.700 -0.023 0.000 2.540 292 S HA 0.623 5.085 4.470 -0.014 0.000 0.275 292 S C -0.839 173.758 174.600 -0.004 0.000 1.123 292 S CA -0.582 57.593 58.200 -0.042 0.000 0.907 292 S CB 1.831 65.027 63.200 -0.006 0.000 1.081 292 S HN 0.415 nan 8.310 nan 0.000 0.476 293 A N 1.965 124.767 122.820 -0.029 0.000 2.327 293 A HA 0.633 4.945 4.320 -0.014 0.000 0.255 293 A C 0.863 178.452 177.584 0.008 0.000 1.099 293 A CA -0.233 51.791 52.037 -0.022 0.000 0.801 293 A CB -0.356 18.610 19.000 -0.058 0.000 1.062 293 A HN 0.875 nan 8.150 nan 0.000 0.496 294 T N -1.704 112.842 114.554 -0.015 0.000 2.766 294 T HA 0.367 4.709 4.350 -0.014 0.000 0.295 294 T C -0.118 174.589 174.700 0.012 0.000 1.024 294 T CA -0.245 61.853 62.100 -0.002 0.000 1.018 294 T CB -0.038 68.797 68.868 -0.056 0.000 1.002 294 T HN 0.305 nan 8.240 nan 0.000 0.532 295 Y N 1.313 121.470 120.300 -0.238 0.000 2.805 295 Y HA 0.220 4.761 4.550 -0.014 0.000 0.331 295 Y C 1.318 176.708 175.900 -0.850 0.000 1.241 295 Y CA -0.353 57.444 58.100 -0.505 0.000 1.546 295 Y CB -0.278 37.845 38.460 -0.562 0.000 1.248 295 Y HN 0.539 nan 8.280 nan 0.000 0.559 296 R N 3.179 123.289 120.500 -0.650 0.000 2.711 296 R HA 0.612 4.943 4.340 -0.014 0.000 0.284 296 R C -1.561 174.318 176.300 -0.701 0.000 0.968 296 R CA -0.757 54.953 56.100 -0.650 0.000 0.924 296 R CB 1.425 31.591 30.300 -0.224 0.000 1.162 296 R HN 0.441 nan 8.270 nan 0.000 0.465 297 F N 2.375 122.301 119.950 -0.040 0.000 2.499 297 F HA 0.372 4.891 4.527 -0.013 0.000 0.333 297 F C -2.073 173.649 175.800 -0.131 0.000 1.138 297 F CA -2.752 55.191 58.000 -0.096 0.000 0.945 297 F CB 1.865 40.764 39.000 -0.169 0.000 1.181 297 F HN 0.218 nan 8.300 nan 0.000 0.435 298 P HA 0.040 nan 4.420 nan 0.000 0.267 298 P C 0.751 177.941 177.300 -0.183 0.000 1.205 298 P CA 0.052 62.934 63.100 -0.363 0.000 0.765 298 P CB 1.159 32.573 31.700 -0.477 0.000 0.828 299 V N 2.749 122.552 119.914 -0.185 0.000 2.379 299 V HA -0.125 3.986 4.120 -0.014 0.000 0.245 299 V C 1.046 177.071 176.094 -0.115 0.000 1.044 299 V CA 1.778 64.015 62.300 -0.104 0.000 1.036 299 V CB -0.645 31.129 31.823 -0.081 0.000 0.664 299 V HN 0.564 nan 8.190 nan 0.000 0.453 300 E N -0.802 119.304 120.200 -0.157 0.000 2.339 300 E HA 0.388 4.730 4.350 -0.014 0.000 0.262 300 E C -2.698 173.790 176.600 -0.186 0.000 0.934 300 E CA -2.439 53.879 56.400 -0.137 0.000 0.802 300 E CB 1.432 31.063 29.700 -0.115 0.000 1.275 300 E HN 0.107 nan 8.360 nan 0.000 0.427 301 P HA -0.013 nan 4.420 nan 0.000 0.267 301 P C -1.061 176.110 177.300 -0.215 0.000 1.200 301 P CA 0.136 63.130 63.100 -0.176 0.000 0.772 301 P CB 0.450 32.078 31.700 -0.120 0.000 0.855 302 V N 2.830 122.585 119.914 -0.265 0.000 2.487 302 V HA 0.246 4.357 4.120 -0.014 0.000 0.298 302 V C -0.221 175.770 176.094 -0.172 0.000 1.028 302 V CA -0.456 61.697 62.300 -0.245 0.000 0.860 302 V CB 1.822 33.420 31.823 -0.374 0.000 0.991 302 V HN 0.448 nan 8.190 nan 0.000 0.427 303 D N 4.883 125.216 120.400 -0.110 0.000 2.347 303 D HA 0.323 4.955 4.640 -0.014 0.000 0.235 303 D C -0.505 175.764 176.300 -0.051 0.000 1.149 303 D CA -0.089 53.862 54.000 -0.082 0.000 0.850 303 D CB 0.882 41.647 40.800 -0.058 0.000 1.061 303 D HN 0.404 nan 8.370 nan 0.000 0.487 304 L N 3.195 124.383 121.223 -0.058 0.000 2.272 304 L HA 0.270 4.601 4.340 -0.014 0.000 0.284 304 L C 0.982 177.834 176.870 -0.029 0.000 1.045 304 L CA -0.238 54.584 54.840 -0.031 0.000 0.842 304 L CB 0.591 42.626 42.059 -0.039 0.000 1.224 304 L HN 0.672 nan 8.230 nan 0.000 0.430 305 D N 2.511 122.902 120.400 -0.015 0.000 2.706 305 D HA -0.078 4.553 4.640 -0.014 0.000 0.230 305 D C 1.304 177.598 176.300 -0.010 0.000 1.184 305 D CA 1.297 55.292 54.000 -0.008 0.000 0.628 305 D CB -1.456 39.345 40.800 0.001 0.000 1.019 305 D HN 1.159 nan 8.370 nan 0.000 0.415 306 G N -2.033 106.757 108.800 -0.017 0.000 2.213 306 G HA2 0.044 3.996 3.960 -0.014 0.000 0.236 306 G HA3 0.044 3.996 3.960 -0.014 0.000 0.236 306 G C 0.645 175.535 174.900 -0.016 0.000 0.991 306 G CA 0.679 45.771 45.100 -0.012 0.000 0.629 306 G HN 1.576 nan 8.290 nan 0.000 0.517 307 T N 1.641 116.176 114.554 -0.032 0.000 2.744 307 T HA 0.545 4.886 4.350 -0.014 0.000 0.291 307 T C 0.268 174.903 174.700 -0.108 0.000 0.957 307 T CA -0.259 61.821 62.100 -0.034 0.000 1.002 307 T CB 2.290 71.145 68.868 -0.022 0.000 0.919 307 T HN 0.421 nan 8.240 nan 0.000 0.468 308 V N 5.783 125.639 119.914 -0.096 0.000 2.406 308 V HA 0.345 4.456 4.120 -0.014 0.000 0.272 308 V C 0.289 176.178 176.094 -0.342 0.000 1.043 308 V CA -0.607 61.597 62.300 -0.160 0.000 0.915 308 V CB 0.570 32.346 31.823 -0.079 0.000 0.988 308 V HN 0.780 nan 8.190 nan 0.000 0.466 309 I N 7.755 128.026 120.570 -0.498 0.000 2.312 309 I HA 0.335 4.497 4.170 -0.014 0.000 0.290 309 I C -2.277 173.593 176.117 -0.412 0.000 1.008 309 I CA -1.960 58.852 61.300 -0.814 0.000 1.226 309 I CB 1.719 39.179 38.000 -0.900 0.000 1.371 309 I HN 0.390 nan 8.210 nan 0.000 0.468 310 P HA 0.045 nan 4.420 nan 0.000 0.269 310 P C -0.316 176.920 177.300 -0.107 0.000 1.215 310 P CA -0.281 62.764 63.100 -0.091 0.000 0.780 310 P CB 0.598 32.322 31.700 0.040 0.000 0.898 311 A N 2.609 125.373 122.820 -0.094 0.000 2.567 311 A HA 0.359 4.671 4.320 -0.014 0.000 0.240 311 A C 1.586 179.144 177.584 -0.042 0.000 1.053 311 A CA 0.932 52.917 52.037 -0.086 0.000 0.755 311 A CB -1.573 17.383 19.000 -0.073 0.000 0.978 311 A HN 0.891 nan 8.150 nan 0.000 0.507 312 G N 2.256 111.037 108.800 -0.031 0.000 2.179 312 G HA2 -0.223 3.728 3.960 -0.014 0.000 0.260 312 G HA3 -0.223 3.728 3.960 -0.014 0.000 0.260 312 G C 0.060 174.988 174.900 0.047 0.000 0.977 312 G CA 0.509 45.598 45.100 -0.018 0.000 0.641 312 G HN 0.870 nan 8.290 nan 0.000 0.533 313 D N 0.767 121.224 120.400 0.095 0.000 2.360 313 D HA 0.512 5.143 4.640 -0.014 0.000 0.242 313 D C 0.776 177.227 176.300 0.251 0.000 1.184 313 D CA 0.616 54.729 54.000 0.188 0.000 0.930 313 D CB 0.591 41.571 40.800 0.299 0.000 1.161 313 D HN 0.069 nan 8.370 nan 0.000 0.447 314 T N 0.638 115.324 114.554 0.220 0.000 2.806 314 T HA 0.441 4.782 4.350 -0.014 0.000 0.290 314 T C -0.319 174.394 174.700 0.022 0.000 0.966 314 T CA -0.536 61.589 62.100 0.041 0.000 1.060 314 T CB 0.740 69.463 68.868 -0.241 0.000 0.927 314 T HN -0.026 nan 8.240 nan 0.000 0.485 315 V N 5.311 125.162 119.914 -0.104 0.000 2.444 315 V HA 0.436 4.548 4.120 -0.014 0.000 0.294 315 V C -0.347 175.674 176.094 -0.121 0.000 1.022 315 V CA -0.863 61.424 62.300 -0.021 0.000 0.850 315 V CB 1.580 33.423 31.823 0.034 0.000 0.992 315 V HN 0.732 nan 8.190 nan 0.000 0.426 316 L N 5.135 126.324 121.223 -0.056 0.000 2.280 316 L HA 0.540 4.872 4.340 -0.014 0.000 0.287 316 L C -0.374 176.448 176.870 -0.079 0.000 1.023 316 L CA -0.800 54.012 54.840 -0.047 0.000 0.819 316 L CB 1.849 43.913 42.059 0.008 0.000 1.212 316 L HN 0.363 nan 8.230 nan 0.000 0.420 317 V N 4.633 124.473 119.914 -0.122 0.000 2.427 317 V HA 0.077 4.189 4.120 -0.014 0.000 0.268 317 V C 0.459 176.456 176.094 -0.161 0.000 1.046 317 V CA -0.434 61.772 62.300 -0.157 0.000 0.970 317 V CB 1.491 33.203 31.823 -0.185 0.000 1.001 317 V HN 0.435 nan 8.190 nan 0.000 0.476 318 V N 7.438 127.227 119.914 -0.208 0.000 2.267 318 V HA 0.137 4.249 4.120 -0.014 0.000 0.254 318 V C 1.388 177.309 176.094 -0.289 0.000 1.144 318 V CA -0.068 62.044 62.300 -0.314 0.000 0.992 318 V CB 0.126 31.606 31.823 -0.571 0.000 1.199 318 V HN 0.778 nan 8.190 nan 0.000 0.493 319 L N 2.823 123.898 121.223 -0.246 0.000 2.081 319 L HA -0.231 4.101 4.340 -0.014 0.000 0.212 319 L C 2.695 179.331 176.870 -0.389 0.000 1.080 319 L CA 1.898 56.539 54.840 -0.333 0.000 0.754 319 L CB -0.693 41.229 42.059 -0.228 0.000 0.893 319 L HN 0.672 nan 8.230 nan 0.000 0.433 320 A N 0.249 122.957 122.820 -0.187 0.000 1.908 320 A HA -0.310 4.002 4.320 -0.014 0.000 0.218 320 A C 1.998 179.661 177.584 0.131 0.000 1.181 320 A CA 2.347 54.409 52.037 0.042 0.000 0.627 320 A CB -0.683 18.350 19.000 0.055 0.000 0.818 320 A HN 0.484 nan 8.150 nan 0.000 0.445 321 D N -0.833 119.549 120.400 -0.031 0.000 2.123 321 D HA 0.071 4.702 4.640 -0.014 0.000 0.200 321 D C 2.062 178.427 176.300 0.109 0.000 0.976 321 D CA 1.304 55.358 54.000 0.090 0.000 0.831 321 D CB -0.189 40.600 40.800 -0.018 0.000 0.974 321 D HN 0.335 nan 8.370 nan 0.000 0.469 322 A N -0.208 122.618 122.820 0.010 0.000 1.927 322 A HA -0.266 4.045 4.320 -0.014 0.000 0.220 322 A C 1.881 179.704 177.584 0.399 0.000 1.185 322 A CA 1.947 54.075 52.037 0.152 0.000 0.639 322 A CB -1.220 17.746 19.000 -0.056 0.000 0.820 322 A HN 0.548 nan 8.150 nan 0.000 0.451 323 H N -1.919 117.304 119.070 0.254 0.000 2.547 323 H HA 0.087 4.635 4.556 -0.014 0.000 0.272 323 H C 1.291 176.647 175.328 0.046 0.000 0.989 323 H CA 0.253 56.344 56.048 0.073 0.000 1.214 323 H CB 0.299 29.992 29.762 -0.115 0.000 1.389 323 H HN 0.205 nan 8.280 nan 0.000 0.577 324 R N 0.437 121.075 120.500 0.229 0.000 2.393 324 R HA 0.114 4.446 4.340 -0.014 0.000 0.244 324 R C 0.009 176.385 176.300 0.126 0.000 0.920 324 R CA 0.011 56.175 56.100 0.107 0.000 1.076 324 R CB -0.137 30.246 30.300 0.138 0.000 1.119 324 R HN 0.044 nan 8.270 nan 0.000 0.524 325 T N 4.278 118.970 114.554 0.231 0.000 2.751 325 T HA 0.081 4.423 4.350 -0.014 0.000 0.290 325 T C -1.492 173.265 174.700 0.095 0.000 0.919 325 T CA -1.016 61.184 62.100 0.167 0.000 1.136 325 T CB 1.394 70.390 68.868 0.214 0.000 0.875 325 T HN 0.073 nan 8.240 nan 0.000 0.532 326 P HA -0.035 nan 4.420 nan 0.000 0.221 326 P C 0.937 178.217 177.300 -0.034 0.000 1.150 326 P CA 0.823 63.923 63.100 -0.001 0.000 0.800 326 P CB 0.409 32.104 31.700 -0.008 0.000 0.787 327 E N -0.364 119.812 120.200 -0.040 0.000 2.204 327 E HA -0.161 4.181 4.350 -0.014 0.000 0.195 327 E C 2.204 178.693 176.600 -0.184 0.000 0.990 327 E CA 0.953 57.305 56.400 -0.080 0.000 0.821 327 E CB -0.372 29.299 29.700 -0.048 0.000 0.750 327 E HN 0.068 nan 8.360 nan 0.000 0.477 328 R N -0.679 119.653 120.500 -0.281 0.000 2.146 328 R HA 0.174 4.506 4.340 -0.014 0.000 0.206 328 R C -0.381 175.413 176.300 -0.842 0.000 1.049 328 R CA 0.621 56.318 56.100 -0.672 0.000 1.029 328 R CB 0.372 30.027 30.300 -1.075 0.000 0.949 328 R HN 0.028 nan 8.270 nan 0.000 0.471 329 F N 1.786 121.647 119.950 -0.149 0.000 2.552 329 F HA 0.462 4.980 4.527 -0.014 0.000 0.369 329 F C -2.126 173.616 175.800 -0.096 0.000 1.112 329 F CA -2.784 55.150 58.000 -0.110 0.000 1.129 329 F CB 1.715 40.669 39.000 -0.077 0.000 1.360 329 F HN -0.128 nan 8.300 nan 0.000 0.473 330 P HA -0.053 nan 4.420 nan 0.000 0.265 330 P C -0.004 177.297 177.300 0.002 0.000 1.187 330 P CA 0.507 63.605 63.100 -0.005 0.000 0.766 330 P CB 0.463 32.151 31.700 -0.020 0.000 0.820 331 D N 2.795 123.184 120.400 -0.018 0.000 2.737 331 D HA -0.132 4.500 4.640 -0.014 0.000 0.238 331 D C -1.188 175.080 176.300 -0.053 0.000 1.157 331 D CA 0.232 54.218 54.000 -0.023 0.000 0.694 331 D CB -0.445 40.352 40.800 -0.006 0.000 1.021 331 D HN 0.279 nan 8.370 nan 0.000 0.420 332 P HA -0.146 nan 4.420 nan 0.000 0.220 332 P C 1.094 178.281 177.300 -0.189 0.000 1.148 332 P CA 1.052 64.044 63.100 -0.179 0.000 0.803 332 P CB 0.010 31.539 31.700 -0.285 0.000 0.782 333 H N -1.050 118.062 119.070 0.071 0.000 2.547 333 H HA 0.120 4.668 4.556 -0.014 0.000 0.266 333 H C 1.107 176.537 175.328 0.170 0.000 0.988 333 H CA 0.187 56.300 56.048 0.109 0.000 1.147 333 H CB -0.190 29.607 29.762 0.060 0.000 1.365 333 H HN 0.180 nan 8.280 nan 0.000 0.589 334 R N 0.876 121.453 120.500 0.129 0.000 2.265 334 R HA 0.073 4.405 4.340 -0.014 0.000 0.314 334 R C -0.965 175.251 176.300 -0.139 0.000 1.053 334 R CA -0.561 55.552 56.100 0.023 0.000 0.931 334 R CB 0.120 30.417 30.300 -0.006 0.000 1.024 334 R HN -0.100 nan 8.270 nan 0.000 0.457 335 F N 5.147 124.713 119.950 -0.641 0.000 2.434 335 F HA 0.181 4.700 4.527 -0.014 0.000 0.358 335 F C -0.727 174.764 175.800 -0.514 0.000 1.136 335 F CA -0.508 56.920 58.000 -0.953 0.000 1.157 335 F CB 0.536 38.453 39.000 -1.806 0.000 1.167 335 F HN 0.503 nan 8.300 nan 0.000 0.539 336 D N 6.850 126.826 120.400 -0.707 0.000 2.440 336 D HA 0.126 4.758 4.640 -0.014 0.000 0.252 336 D C 1.040 176.995 176.300 -0.575 0.000 1.180 336 D CA -0.453 53.232 54.000 -0.525 0.000 0.894 336 D CB 0.566 41.206 40.800 -0.267 0.000 1.111 336 D HN 0.597 nan 8.370 nan 0.000 0.544 337 I N 0.704 120.893 120.570 -0.635 0.000 2.700 337 I HA -0.023 4.139 4.170 -0.014 0.000 0.261 337 I C 1.170 177.137 176.117 -0.251 0.000 1.219 337 I CA 0.581 61.598 61.300 -0.472 0.000 1.463 337 I CB 0.096 37.874 38.000 -0.371 0.000 1.092 337 I HN 0.058 nan 8.210 nan 0.000 0.452 338 R N 1.530 121.907 120.500 -0.205 0.000 2.334 338 R HA 0.182 4.514 4.340 -0.014 0.000 0.216 338 R C 0.681 176.922 176.300 -0.098 0.000 0.905 338 R CA -0.291 55.736 56.100 -0.122 0.000 1.064 338 R CB -0.003 30.239 30.300 -0.096 0.000 1.046 338 R HN 0.546 nan 8.270 nan 0.000 0.508 339 R N 0.643 121.070 120.500 -0.122 0.000 2.707 339 R HA 0.077 4.408 4.340 -0.014 0.000 0.270 339 R C -0.361 175.926 176.300 -0.022 0.000 1.083 339 R CA -0.551 55.507 56.100 -0.070 0.000 1.182 339 R CB 0.362 30.618 30.300 -0.073 0.000 1.084 339 R HN -0.257 nan 8.270 nan 0.000 0.528 340 D N 0.940 121.350 120.400 0.016 0.000 2.338 340 D HA 0.006 4.638 4.640 -0.014 0.000 0.255 340 D C 0.339 176.719 176.300 0.134 0.000 1.237 340 D CA -0.046 53.983 54.000 0.048 0.000 0.883 340 D CB 1.162 41.975 40.800 0.022 0.000 1.087 340 D HN 0.676 nan 8.370 nan 0.000 0.485 341 T N 0.729 115.366 114.554 0.138 0.000 3.086 341 T HA 0.361 4.703 4.350 -0.014 0.000 0.250 341 T C 0.926 175.822 174.700 0.327 0.000 1.074 341 T CA -0.195 62.043 62.100 0.231 0.000 0.988 341 T CB 0.112 69.067 68.868 0.145 0.000 0.988 341 T HN 0.381 nan 8.240 nan 0.000 0.530 342 A N 0.780 123.722 122.820 0.203 0.000 2.540 342 A HA 0.519 4.830 4.320 -0.014 0.000 0.239 342 A C 1.679 179.366 177.584 0.171 0.000 1.061 342 A CA 0.334 52.456 52.037 0.143 0.000 0.758 342 A CB -1.031 18.008 19.000 0.065 0.000 0.991 342 A HN 1.490 nan 8.150 nan 0.000 0.502 343 G N 1.309 110.198 108.800 0.148 0.000 2.157 343 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.239 343 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.239 343 G C 0.293 175.476 174.900 0.473 0.000 0.982 343 G CA 0.403 45.635 45.100 0.219 0.000 0.650 343 G HN 1.927 nan 8.290 nan 0.000 0.527 344 H N -0.102 119.252 119.070 0.473 0.000 2.852 344 H HA 0.353 4.901 4.556 -0.014 0.000 0.362 344 H C 0.820 176.443 175.328 0.491 0.000 1.122 344 H CA 0.371 56.698 56.048 0.466 0.000 1.419 344 H CB 0.670 30.413 29.762 -0.033 0.000 1.401 344 H HN 0.199 nan 8.280 nan 0.000 0.609 345 L N 2.367 124.115 121.223 0.875 0.000 2.818 345 L HA 0.223 4.555 4.340 -0.014 0.000 0.243 345 L C 2.207 179.339 176.870 0.438 0.000 1.185 345 L CA 0.197 55.329 54.840 0.488 0.000 0.988 345 L CB 0.105 42.286 42.059 0.204 0.000 1.292 345 L HN 0.753 nan 8.230 nan 0.000 0.519 346 A N 0.220 123.400 122.820 0.600 0.000 2.019 346 A HA -0.080 4.231 4.320 -0.014 0.000 0.219 346 A C 1.694 179.207 177.584 -0.119 0.000 1.164 346 A CA 1.434 53.570 52.037 0.166 0.000 0.644 346 A CB -0.451 18.426 19.000 -0.204 0.000 0.805 346 A HN 0.454 nan 8.150 nan 0.000 0.449 347 F N -0.752 119.283 119.950 0.143 0.000 2.664 347 F HA 0.402 4.920 4.527 -0.014 0.000 0.303 347 F C 1.565 177.214 175.800 -0.252 0.000 1.092 347 F CA 0.368 58.247 58.000 -0.200 0.000 1.305 347 F CB 0.244 38.912 39.000 -0.554 0.000 1.054 347 F HN 0.484 nan 8.300 nan 0.000 0.565 348 G N 0.645 109.551 108.800 0.177 0.000 2.615 348 G HA2 -0.160 3.791 3.960 -0.014 0.000 0.218 348 G HA3 -0.160 3.791 3.960 -0.014 0.000 0.218 348 G C -1.378 173.812 174.900 0.483 0.000 1.339 348 G CA -0.366 44.869 45.100 0.226 0.000 0.884 348 G HN 0.570 nan 8.290 nan 0.000 0.559 349 H N -0.851 118.408 119.070 0.314 0.000 3.139 349 H HA 0.673 5.221 4.556 -0.013 0.000 0.325 349 H C 0.407 175.837 175.328 0.170 0.000 1.146 349 H CA 1.894 58.110 56.048 0.280 0.000 1.351 349 H CB 1.019 30.858 29.762 0.128 0.000 2.005 349 H HN 2.730 nan 8.280 nan 0.000 0.517 350 G N 2.559 111.067 108.800 -0.486 0.000 2.512 350 G HA2 -0.203 3.748 3.960 -0.014 0.000 0.210 350 G HA3 -0.203 3.748 3.960 -0.014 0.000 0.210 350 G C 1.221 176.037 174.900 -0.141 0.000 1.295 350 G CA 0.061 44.910 45.100 -0.418 0.000 0.934 350 G HN 1.325 nan 8.290 nan 0.000 0.554 351 I N -2.434 118.024 120.570 -0.186 0.000 2.567 351 I HA 0.030 4.192 4.170 -0.014 0.000 0.257 351 I C 1.653 177.596 176.117 -0.291 0.000 1.184 351 I CA 1.878 63.029 61.300 -0.248 0.000 1.451 351 I CB -0.313 37.433 38.000 -0.423 0.000 1.089 351 I HN 0.474 nan 8.210 nan 0.000 0.441 352 H N 0.717 119.747 119.070 -0.066 0.000 2.526 352 H HA 0.179 4.727 4.556 -0.014 0.000 0.274 352 H C 0.138 175.538 175.328 0.120 0.000 0.999 352 H CA -0.414 55.647 56.048 0.022 0.000 1.157 352 H CB -0.249 29.487 29.762 -0.044 0.000 1.407 352 H HN 0.348 nan 8.280 nan 0.000 0.568 353 F N 2.056 122.053 119.950 0.078 0.000 2.623 353 F HA -0.078 4.441 4.527 -0.014 0.000 0.383 353 F C 0.872 176.724 175.800 0.085 0.000 1.077 353 F CA -0.515 57.543 58.000 0.096 0.000 1.268 353 F CB 0.368 39.405 39.000 0.061 0.000 1.053 353 F HN 0.117 nan 8.300 nan 0.000 0.571 354 C N 8.996 127.968 119.300 -0.545 0.000 2.298 354 C HA -0.078 4.374 4.460 -0.014 0.000 0.395 354 C C 1.958 176.788 174.990 -0.267 0.000 1.526 354 C CA -0.071 58.731 59.018 -0.361 0.000 1.458 354 C CB -1.897 25.640 27.740 -0.339 0.000 2.506 354 C HN 0.977 nan 8.230 nan 0.000 0.604 355 I N 4.660 125.132 120.570 -0.163 0.000 2.676 355 I HA 0.064 4.226 4.170 -0.014 0.000 0.259 355 I C 2.027 177.977 176.117 -0.279 0.000 1.194 355 I CA 1.586 62.785 61.300 -0.168 0.000 1.473 355 I CB -0.120 37.745 38.000 -0.226 0.000 1.096 355 I HN 0.926 nan 8.210 nan 0.000 0.443 356 G N -0.357 108.244 108.800 -0.333 0.000 3.088 356 G HA2 0.090 4.042 3.960 -0.014 0.000 0.212 356 G HA3 0.090 4.042 3.960 -0.014 0.000 0.212 356 G C 1.569 176.335 174.900 -0.223 0.000 1.173 356 G CA 0.490 45.438 45.100 -0.253 0.000 0.779 356 G HN 0.463 nan 8.290 nan 0.000 0.540 357 A N 2.043 124.588 122.820 -0.459 0.000 1.917 357 A HA -0.007 4.305 4.320 -0.014 0.000 0.219 357 A C 0.643 178.009 177.584 -0.363 0.000 1.182 357 A CA 1.724 53.227 52.037 -0.891 0.000 0.633 357 A CB -0.948 17.253 19.000 -1.332 0.000 0.819 357 A HN 0.350 nan 8.150 nan 0.000 0.448 358 P HA -0.093 nan 4.420 nan 0.000 0.219 358 P C 1.595 178.908 177.300 0.022 0.000 1.150 358 P CA 0.649 63.736 63.100 -0.021 0.000 0.814 358 P CB -0.057 31.660 31.700 0.029 0.000 0.787 359 L N -0.130 121.122 121.223 0.048 0.000 2.027 359 L HA -0.011 4.321 4.340 -0.014 0.000 0.206 359 L C 2.258 179.171 176.870 0.072 0.000 1.074 359 L CA 1.920 56.809 54.840 0.081 0.000 0.745 359 L CB -1.596 40.554 42.059 0.152 0.000 0.898 359 L HN -0.126 nan 8.230 nan 0.000 0.433 360 A N -0.211 122.652 122.820 0.071 0.000 1.883 360 A HA -0.246 4.065 4.320 -0.014 0.000 0.217 360 A C 2.414 180.097 177.584 0.165 0.000 1.186 360 A CA 2.002 54.124 52.037 0.142 0.000 0.624 360 A CB -0.585 18.576 19.000 0.269 0.000 0.822 360 A HN 0.509 nan 8.150 nan 0.000 0.444 361 R N -1.214 119.382 120.500 0.160 0.000 2.081 361 R HA -0.110 4.222 4.340 -0.014 0.000 0.235 361 R C 2.139 178.500 176.300 0.102 0.000 1.131 361 R CA 1.374 57.569 56.100 0.159 0.000 0.960 361 R CB -0.620 29.771 30.300 0.153 0.000 0.856 361 R HN 0.488 nan 8.270 nan 0.000 0.436 362 L N 1.703 122.971 121.223 0.075 0.000 1.989 362 L HA -0.199 4.133 4.340 -0.014 0.000 0.211 362 L C 1.853 178.755 176.870 0.053 0.000 1.071 362 L CA 1.878 56.751 54.840 0.056 0.000 0.749 362 L CB -0.398 41.688 42.059 0.043 0.000 0.890 362 L HN 0.142 nan 8.230 nan 0.000 0.431 363 E N -0.546 119.689 120.200 0.058 0.000 2.051 363 E HA -0.230 4.112 4.350 -0.014 0.000 0.192 363 E C 2.153 178.786 176.600 0.054 0.000 0.991 363 E CA 1.217 57.646 56.400 0.048 0.000 0.799 363 E CB -0.372 29.356 29.700 0.047 0.000 0.748 363 E HN 0.661 nan 8.360 nan 0.000 0.449 364 A N 1.482 124.348 122.820 0.076 0.000 1.877 364 A HA -0.207 4.105 4.320 -0.014 0.000 0.216 364 A C 2.090 179.714 177.584 0.066 0.000 1.186 364 A CA 1.469 53.553 52.037 0.078 0.000 0.620 364 A CB -0.443 18.619 19.000 0.103 0.000 0.822 364 A HN 0.074 nan 8.150 nan 0.000 0.443 365 R N -0.538 120.003 120.500 0.068 0.000 2.081 365 R HA -0.059 4.273 4.340 -0.014 0.000 0.235 365 R C 2.014 178.337 176.300 0.038 0.000 1.131 365 R CA 1.671 57.804 56.100 0.055 0.000 0.960 365 R CB -0.495 29.838 30.300 0.056 0.000 0.856 365 R HN 0.583 nan 8.270 nan 0.000 0.436 366 I N 0.372 120.962 120.570 0.033 0.000 2.226 366 I HA -0.263 3.898 4.170 -0.014 0.000 0.245 366 I C 2.579 178.705 176.117 0.015 0.000 1.100 366 I CA 1.228 62.540 61.300 0.020 0.000 1.374 366 I CB -0.411 37.599 38.000 0.016 0.000 1.057 366 I HN 0.225 nan 8.210 nan 0.000 0.413 367 A N 0.450 123.283 122.820 0.021 0.000 1.877 367 A HA -0.141 4.171 4.320 -0.014 0.000 0.216 367 A C 2.426 180.020 177.584 0.015 0.000 1.186 367 A CA 1.686 53.733 52.037 0.016 0.000 0.620 367 A CB -0.954 18.062 19.000 0.027 0.000 0.822 367 A HN 0.221 nan 8.150 nan 0.000 0.443 368 V N 0.029 119.961 119.914 0.029 0.000 2.295 368 V HA -0.255 3.857 4.120 -0.014 0.000 0.246 368 V C 2.652 178.757 176.094 0.018 0.000 1.049 368 V CA 2.310 64.629 62.300 0.032 0.000 1.024 368 V CB -0.830 31.023 31.823 0.050 0.000 0.648 368 V HN 0.666 nan 8.190 nan 0.000 0.447 369 R N 0.230 120.739 120.500 0.016 0.000 2.083 369 R HA -0.205 4.127 4.340 -0.014 0.000 0.237 369 R C 2.333 178.629 176.300 -0.008 0.000 1.137 369 R CA 1.853 57.957 56.100 0.007 0.000 0.951 369 R CB -0.550 29.755 30.300 0.008 0.000 0.851 369 R HN 0.481 nan 8.270 nan 0.000 0.434 370 A N 1.071 123.882 122.820 -0.015 0.000 1.892 370 A HA -0.183 4.128 4.320 -0.014 0.000 0.218 370 A C 2.236 179.785 177.584 -0.058 0.000 1.188 370 A CA 1.606 53.622 52.037 -0.035 0.000 0.631 370 A CB -0.704 18.274 19.000 -0.036 0.000 0.822 370 A HN 0.373 nan 8.150 nan 0.000 0.447 371 L N -0.760 120.432 121.223 -0.052 0.000 2.017 371 L HA -0.195 4.137 4.340 -0.014 0.000 0.208 371 L C 2.587 179.423 176.870 -0.056 0.000 1.073 371 L CA 1.226 56.022 54.840 -0.073 0.000 0.745 371 L CB -0.543 41.493 42.059 -0.039 0.000 0.894 371 L HN 0.382 nan 8.230 nan 0.000 0.432 372 L N -0.782 120.428 121.223 -0.022 0.000 2.093 372 L HA -0.162 4.170 4.340 -0.014 0.000 0.208 372 L C 2.421 179.281 176.870 -0.015 0.000 1.085 372 L CA 1.177 56.014 54.840 -0.006 0.000 0.755 372 L CB -0.423 41.642 42.059 0.010 0.000 0.904 372 L HN 0.307 nan 8.230 nan 0.000 0.435 373 E N -0.088 120.097 120.200 -0.025 0.000 2.170 373 E HA -0.081 4.261 4.350 -0.014 0.000 0.191 373 E C 1.921 178.496 176.600 -0.041 0.000 0.981 373 E CA 0.590 56.975 56.400 -0.025 0.000 0.830 373 E CB 0.222 29.910 29.700 -0.020 0.000 0.775 373 E HN 0.437 nan 8.360 nan 0.000 0.470 374 R N -0.633 119.822 120.500 -0.075 0.000 2.365 374 R HA 0.220 4.552 4.340 -0.014 0.000 0.223 374 R C 0.028 176.226 176.300 -0.171 0.000 0.899 374 R CA -0.080 55.956 56.100 -0.108 0.000 1.059 374 R CB 0.761 30.986 30.300 -0.124 0.000 1.086 374 R HN -0.010 nan 8.270 nan 0.000 0.522 375 C N 3.828 123.028 119.300 -0.166 0.000 2.248 375 C HA 0.332 4.784 4.460 -0.014 0.000 0.320 375 C C -2.230 172.758 174.990 -0.003 0.000 1.065 375 C CA -2.016 56.877 59.018 -0.208 0.000 1.558 375 C CB 0.422 28.012 27.740 -0.250 0.000 1.787 375 C HN 0.180 nan 8.230 nan 0.000 0.426 376 P HA 0.129 nan 4.420 nan 0.000 0.267 376 P C 0.018 177.399 177.300 0.134 0.000 1.205 376 P CA 1.022 64.173 63.100 0.085 0.000 0.765 376 P CB 0.479 32.233 31.700 0.090 0.000 0.828 377 D N -1.049 119.408 120.400 0.095 0.000 2.911 377 D HA -0.193 4.439 4.640 -0.014 0.000 0.227 377 D C 0.462 176.838 176.300 0.126 0.000 1.164 377 D CA 0.539 54.595 54.000 0.094 0.000 0.782 377 D CB -1.759 39.089 40.800 0.081 0.000 1.094 377 D HN 0.318 nan 8.370 nan 0.000 0.425 378 L N 0.043 121.353 121.223 0.146 0.000 2.667 378 L HA 0.229 4.561 4.340 -0.014 0.000 0.296 378 L C 0.392 177.339 176.870 0.129 0.000 1.252 378 L CA 0.889 55.835 54.840 0.176 0.000 0.891 378 L CB 0.203 42.332 42.059 0.117 0.000 1.141 378 L HN 0.292 nan 8.230 nan 0.000 0.501 379 A N 5.006 127.909 122.820 0.138 0.000 2.606 379 A HA 0.584 4.896 4.320 -0.014 0.000 0.293 379 A C -1.056 176.579 177.584 0.085 0.000 1.082 379 A CA -0.884 51.206 52.037 0.088 0.000 0.685 379 A CB 0.668 19.703 19.000 0.058 0.000 1.284 379 A HN 0.693 nan 8.150 nan 0.000 0.408 380 L N 1.047 122.310 121.223 0.067 0.000 2.490 380 L HA 0.145 4.477 4.340 -0.014 0.000 0.274 380 L C 0.066 176.956 176.870 0.035 0.000 1.201 380 L CA 0.259 55.138 54.840 0.065 0.000 0.869 380 L CB 0.435 42.542 42.059 0.080 0.000 1.123 380 L HN 0.815 nan 8.230 nan 0.000 0.484 381 D N 2.991 123.403 120.400 0.020 0.000 3.008 381 D HA 0.423 5.055 4.640 -0.014 0.000 0.312 381 D C -0.897 175.390 176.300 -0.022 0.000 1.361 381 D CA 0.036 54.030 54.000 -0.011 0.000 0.858 381 D CB 0.471 41.254 40.800 -0.028 0.000 1.098 381 D HN 0.154 nan 8.370 nan 0.000 0.482 382 V N 0.155 120.061 119.914 -0.013 0.000 2.989 382 V HA 0.242 4.354 4.120 -0.014 0.000 0.259 382 V C -1.015 175.075 176.094 -0.007 0.000 1.813 382 V CA -0.538 61.747 62.300 -0.026 0.000 0.939 382 V CB 1.743 33.533 31.823 -0.055 0.000 1.361 382 V HN 0.286 nan 8.190 nan 0.000 0.454 383 S N 4.908 120.601 115.700 -0.011 0.000 2.610 383 S HA 0.562 5.024 4.470 -0.014 0.000 0.273 383 S C -1.807 172.801 174.600 0.014 0.000 1.274 383 S CA -0.708 57.498 58.200 0.011 0.000 1.023 383 S CB 1.389 64.591 63.200 0.003 0.000 0.962 383 S HN 0.634 nan 8.310 nan 0.000 0.523 384 P HA -0.168 nan 4.420 nan 0.000 0.222 384 P C 1.624 178.943 177.300 0.032 0.000 1.155 384 P CA 2.090 65.249 63.100 0.098 0.000 0.890 384 P CB -0.505 31.281 31.700 0.143 0.000 0.790 385 G N -1.219 107.591 108.800 0.017 0.000 2.443 385 G HA2 -0.237 3.714 3.960 -0.014 0.000 0.219 385 G HA3 -0.237 3.714 3.960 -0.014 0.000 0.219 385 G C 1.662 176.541 174.900 -0.036 0.000 1.131 385 G CA 1.190 46.290 45.100 0.000 0.000 0.775 385 G HN 0.421 nan 8.290 nan 0.000 0.547 386 E N 0.344 120.510 120.200 -0.058 0.000 2.299 386 E HA 0.359 4.701 4.350 -0.014 0.000 0.193 386 E C 1.259 177.767 176.600 -0.154 0.000 0.998 386 E CA -0.096 56.251 56.400 -0.089 0.000 0.851 386 E CB -0.231 29.421 29.700 -0.079 0.000 0.795 386 E HN 0.444 nan 8.360 nan 0.000 0.492 387 L N 0.720 121.820 121.223 -0.204 0.000 2.439 387 L HA 0.360 4.691 4.340 -0.014 0.000 0.269 387 L C -0.313 176.335 176.870 -0.371 0.000 1.179 387 L CA -0.476 54.140 54.840 -0.372 0.000 0.828 387 L CB 1.650 43.373 42.059 -0.560 0.000 1.106 387 L HN 0.105 nan 8.230 nan 0.000 0.467 388 V N 1.649 121.268 119.914 -0.491 0.000 2.444 388 V HA 0.267 4.379 4.120 -0.014 0.000 0.294 388 V C -0.873 174.879 176.094 -0.571 0.000 1.022 388 V CA -0.565 61.491 62.300 -0.407 0.000 0.850 388 V CB 1.448 33.069 31.823 -0.337 0.000 0.992 388 V HN 0.575 nan 8.190 nan 0.000 0.426 389 W N 3.825 124.946 121.300 -0.298 0.000 2.338 389 W HA 0.530 5.182 4.660 -0.014 0.000 0.307 389 W C 0.137 176.517 176.519 -0.232 0.000 1.167 389 W CA -0.526 56.652 57.345 -0.278 0.000 1.208 389 W CB 0.460 29.816 29.460 -0.173 0.000 1.228 389 W HN 0.525 nan 8.180 nan 0.000 0.499 390 Y N 4.328 124.682 120.300 0.091 0.000 2.712 390 Y HA -0.059 4.484 4.550 -0.012 0.000 0.333 390 Y C -0.980 174.989 175.900 0.116 0.000 1.225 390 Y CA -1.143 56.986 58.100 0.048 0.000 1.499 390 Y CB 0.149 38.625 38.460 0.026 0.000 1.288 390 Y HN 0.309 nan 8.280 nan 0.000 0.575 391 P HA -0.104 nan 4.420 nan 0.000 0.245 391 P C -0.256 177.176 177.300 0.219 0.000 1.212 391 P CA 0.490 63.722 63.100 0.219 0.000 0.774 391 P CB 0.126 31.947 31.700 0.202 0.000 0.999 392 N N 1.769 120.608 118.700 0.231 0.000 2.440 392 N HA -0.025 4.707 4.740 -0.014 0.000 0.265 392 N C -1.384 174.238 175.510 0.187 0.000 1.239 392 N CA -0.803 52.369 53.050 0.204 0.000 0.909 392 N CB 0.886 39.492 38.487 0.197 0.000 1.066 392 N HN -0.001 nan 8.380 nan 0.000 0.474 393 P HA -0.080 nan 4.420 nan 0.000 0.237 393 P C 1.089 178.488 177.300 0.165 0.000 1.178 393 P CA 0.712 63.946 63.100 0.223 0.000 0.766 393 P CB 0.208 32.085 31.700 0.296 0.000 0.876 394 M N -1.303 118.389 119.600 0.153 0.000 2.357 394 M HA 0.107 4.578 4.480 -0.014 0.000 0.266 394 M C 0.326 176.688 176.300 0.103 0.000 1.095 394 M CA 1.087 56.460 55.300 0.122 0.000 1.156 394 M CB 0.414 33.092 32.600 0.129 0.000 1.365 394 M HN -0.299 nan 8.290 nan 0.000 0.447 395 I N 1.129 121.775 120.570 0.127 0.000 2.441 395 I HA 0.315 4.477 4.170 -0.014 0.000 0.295 395 I C -0.445 175.762 176.117 0.149 0.000 0.994 395 I CA -0.525 60.858 61.300 0.140 0.000 1.144 395 I CB 1.721 39.824 38.000 0.172 0.000 1.314 395 I HN 0.122 nan 8.210 nan 0.000 0.445 396 R N 3.839 124.427 120.500 0.146 0.000 2.246 396 R HA 0.701 5.033 4.340 -0.014 0.000 0.332 396 R C -0.655 175.853 176.300 0.346 0.000 0.974 396 R CA -0.298 55.904 56.100 0.171 0.000 0.837 396 R CB 1.058 31.389 30.300 0.052 0.000 1.145 396 R HN 0.852 nan 8.270 nan 0.000 0.467 397 G N 3.218 112.317 108.800 0.500 0.000 2.703 397 G HA2 0.413 4.365 3.960 -0.014 0.000 0.294 397 G HA3 0.413 4.365 3.960 -0.014 0.000 0.294 397 G C -1.731 173.213 174.900 0.074 0.000 1.451 397 G CA -0.785 44.525 45.100 0.350 0.000 0.869 397 G HN 0.437 nan 8.290 nan 0.000 0.516 398 L N 0.742 121.771 121.223 -0.324 0.000 2.360 398 L HA 0.610 4.942 4.340 -0.014 0.000 0.271 398 L C 1.950 178.424 176.870 -0.660 0.000 1.057 398 L CA -0.518 53.877 54.840 -0.741 0.000 0.803 398 L CB 1.433 42.985 42.059 -0.844 0.000 1.207 398 L HN 0.816 nan 8.230 nan 0.000 0.445 399 K N 1.874 121.748 120.400 -0.876 0.000 2.057 399 K HA 0.399 4.711 4.320 -0.014 0.000 0.206 399 K C 0.688 177.086 176.600 -0.336 0.000 1.050 399 K CA 1.463 57.336 56.287 -0.690 0.000 0.935 399 K CB -0.266 31.840 32.500 -0.656 0.000 0.715 399 K HN 0.800 nan 8.250 nan 0.000 0.439 400 A N -1.352 121.260 122.820 -0.347 0.000 2.606 400 A HA 0.698 5.010 4.320 -0.014 0.000 0.293 400 A C -1.770 175.664 177.584 -0.250 0.000 1.082 400 A CA -0.465 51.437 52.037 -0.224 0.000 0.685 400 A CB 1.538 20.432 19.000 -0.176 0.000 1.284 400 A HN 0.676 nan 8.150 nan 0.000 0.408 401 L N 1.557 122.689 121.223 -0.152 0.000 2.481 401 L HA 0.493 4.825 4.340 -0.014 0.000 0.255 401 L C -2.774 174.068 176.870 -0.046 0.000 1.192 401 L CA -1.565 53.199 54.840 -0.128 0.000 0.924 401 L CB 1.377 43.381 42.059 -0.092 0.000 1.179 401 L HN 0.316 nan 8.230 nan 0.000 0.491 402 P HA 0.250 nan 4.420 nan 0.000 0.267 402 P C -0.638 176.678 177.300 0.027 0.000 1.209 402 P CA 0.368 63.459 63.100 -0.015 0.000 0.763 402 P CB 0.434 32.108 31.700 -0.044 0.000 0.816 403 I N -0.676 119.940 120.570 0.076 0.000 3.067 403 I HA 0.977 5.139 4.170 -0.014 0.000 0.312 403 I C -0.096 176.081 176.117 0.099 0.000 1.073 403 I CA -1.490 59.887 61.300 0.129 0.000 1.016 403 I CB 2.215 40.343 38.000 0.213 0.000 1.227 403 I HN 0.121 nan 8.210 nan 0.000 0.456 404 R N 1.844 122.406 120.500 0.102 0.000 2.740 404 R HA 0.822 5.154 4.340 -0.014 0.000 0.273 404 R C -1.962 174.411 176.300 0.121 0.000 0.998 404 R CA -0.402 55.646 56.100 -0.087 0.000 0.900 404 R CB 1.124 31.349 30.300 -0.125 0.000 1.223 404 R HN 1.040 nan 8.270 nan 0.000 0.466 405 W N -1.494 119.810 121.300 0.005 0.000 3.039 405 W HA 0.824 5.475 4.660 -0.014 0.000 0.354 405 W C 0.372 176.894 176.519 0.005 0.000 1.206 405 W CA -0.422 56.927 57.345 0.007 0.000 1.134 405 W CB 0.334 29.800 29.460 0.009 0.000 1.493 405 W HN 1.040 nan 8.180 nan 0.000 0.591 406 R N 0.000 120.657 120.500 0.261 0.000 2.786 406 R HA 0.000 4.332 4.340 -0.014 0.000 0.208 406 R CA 0.000 56.175 56.100 0.125 0.000 0.921 406 R CB 0.000 30.368 30.300 0.114 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535