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 3k7w_1_A DATA FIRST_RESID 9 DATA SEQUENCE SLYPIAVLID ELRNEDVQLR LNSIKKLSTI ALALGVERTR SELLPFLTDT DATA SEQUENCE IYDEDEVLLA LAEQLGTFTT LVGGPEYVHC LLPPLESLAT VEETVVRDKA DATA SEQUENCE VESLRAISHE HSPSDLEAHF VPLVKRLAGG DWFTSRTSAC GLFSVCYPRV DATA SEQUENCE SSAVKAELRQ YFRNLCSDDT PMVRRAAASK LGEFAKVLEL DNVKSEIIPM DATA SEQUENCE FSNLASDEQD SVRLLAVEAC VNIAQLLPQE DLEALVMPTL RQAAEDKSWR DATA SEQUENCE VRYMVADKFT ELQKAVGPEI TKTDLVPAFQ NLMKDCEAEV RAAASHKVKE DATA SEQUENCE FCENLSADCR ENVIMSQILP CIKELVSDAN QHVKSALASV IMGLSPILGK DATA SEQUENCE DNTIEHLLPL FLAQLKDECP EVRLNIISNL DCVNEVIGIR QLSQSLLPAI DATA SEQUENCE VELAEDAKWR VRLAIIEYMP LLAGQLGVEF FDEKLNSLCM AWLVDHVYAI DATA SEQUENCE REAATSNLKK LVEKFGKEWA HATIIPKVLA MSGDPNYLHR MTTLFCINVL DATA SEQUENCE SEVCGQDITT KHMLPTVLRM AGDPVANVRF NVAKSLQKIG PILDNSTLQS DATA SEQUENCE EVKPILEKLT QDQDVDVKYF AQEALTVLSL A 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.575 174.600 -0.042 0.000 1.055 9 S CA 0.000 58.169 58.200 -0.052 0.000 1.107 9 S CB 0.000 63.148 63.200 -0.087 0.000 0.593 10 L N 1.291 122.459 121.223 -0.092 0.000 2.409 10 L HA 0.616 4.955 4.340 -0.001 0.000 0.262 10 L C -1.178 175.659 176.870 -0.054 0.000 0.992 10 L CA -1.015 53.822 54.840 -0.005 0.000 0.817 10 L CB 1.410 43.471 42.059 0.003 0.000 1.350 10 L HN 0.774 nan 8.230 nan 0.000 0.411 11 Y N 1.866 122.122 120.300 -0.072 0.000 2.357 11 Y HA 0.148 4.697 4.550 -0.001 0.000 0.340 11 Y C -1.036 174.823 175.900 -0.069 0.000 1.260 11 Y CA -1.226 56.833 58.100 -0.069 0.000 1.425 11 Y CB 0.118 38.551 38.460 -0.046 0.000 1.326 11 Y HN 0.437 nan 8.280 nan 0.000 0.580 12 P HA -0.032 nan 4.420 nan 0.000 0.240 12 P C 1.164 178.378 177.300 -0.144 0.000 1.190 12 P CA 0.942 64.054 63.100 0.021 0.000 0.781 12 P CB 0.424 32.143 31.700 0.032 0.000 0.931 13 I N 1.158 121.605 120.570 -0.205 0.000 2.226 13 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 13 I C 2.469 178.332 176.117 -0.424 0.000 1.100 13 I CA 1.407 62.510 61.300 -0.329 0.000 1.374 13 I CB -1.802 35.891 38.000 -0.512 0.000 1.057 13 I HN -0.062 nan 8.210 nan 0.000 0.413 14 A N 0.951 123.480 122.820 -0.486 0.000 2.104 14 A HA -0.188 4.132 4.320 -0.001 0.000 0.223 14 A C 2.526 179.800 177.584 -0.517 0.000 1.164 14 A CA 1.826 53.540 52.037 -0.538 0.000 0.659 14 A CB -1.030 17.551 19.000 -0.698 0.000 0.808 14 A HN 0.302 nan 8.150 nan 0.000 0.465 15 V N -0.498 119.114 119.914 -0.502 0.000 2.392 15 V HA -0.251 3.869 4.120 -0.001 0.000 0.249 15 V C 2.438 178.447 176.094 -0.142 0.000 1.059 15 V CA 1.799 63.924 62.300 -0.292 0.000 1.051 15 V CB -0.708 31.019 31.823 -0.160 0.000 0.658 15 V HN 0.512 nan 8.190 nan 0.000 0.455 16 L N -0.707 120.448 121.223 -0.112 0.000 2.046 16 L HA -0.002 4.337 4.340 -0.001 0.000 0.208 16 L C 1.242 178.122 176.870 0.016 0.000 1.077 16 L CA 1.060 55.896 54.840 -0.007 0.000 0.747 16 L CB -0.834 41.271 42.059 0.077 0.000 0.896 16 L HN 0.216 nan 8.230 nan 0.000 0.432 17 I N 0.458 121.020 120.570 -0.014 0.000 2.948 17 I HA -0.129 4.041 4.170 -0.001 0.000 0.290 17 I C 0.495 176.608 176.117 -0.006 0.000 1.226 17 I CA 0.338 61.648 61.300 0.017 0.000 1.413 17 I CB 0.128 38.121 38.000 -0.011 0.000 1.352 17 I HN 0.080 nan 8.210 nan 0.000 0.597 18 D N 4.806 125.212 120.400 0.010 0.000 2.622 18 D HA 0.059 4.699 4.640 -0.001 0.000 0.262 18 D C 0.787 177.087 176.300 -0.001 0.000 1.189 18 D CA -0.295 53.708 54.000 0.006 0.000 0.985 18 D CB 0.342 41.151 40.800 0.015 0.000 0.994 18 D HN 0.337 nan 8.370 nan 0.000 0.513 19 E N 1.277 121.475 120.200 -0.003 0.000 2.492 19 E HA -0.130 4.220 4.350 -0.001 0.000 0.204 19 E C 1.242 177.845 176.600 0.004 0.000 1.073 19 E CA 0.485 56.885 56.400 0.000 0.000 0.887 19 E CB 0.394 30.098 29.700 0.007 0.000 0.813 19 E HN 0.657 nan 8.360 nan 0.000 0.562 20 L N -0.696 120.529 121.223 0.004 0.000 2.470 20 L HA 0.092 4.432 4.340 -0.001 0.000 0.219 20 L C 2.199 179.069 176.870 0.001 0.000 1.071 20 L CA 0.045 54.888 54.840 0.005 0.000 0.850 20 L CB 0.043 42.108 42.059 0.010 0.000 1.040 20 L HN -0.010 nan 8.230 nan 0.000 0.475 21 R N 0.593 121.091 120.500 -0.003 0.000 0.783 21 R HA 0.084 4.424 4.340 -0.001 0.000 0.060 21 R C 0.446 176.737 176.300 -0.016 0.000 0.533 21 R CA 0.496 56.592 56.100 -0.007 0.000 2.119 21 R CB 0.035 30.330 30.300 -0.008 0.000 0.516 21 R HN 0.099 nan 8.270 nan 0.000 0.787 22 N N -0.003 118.678 118.700 -0.031 0.000 2.898 22 N HA 0.007 4.746 4.740 -0.001 0.000 0.203 22 N C -1.184 174.281 175.510 -0.075 0.000 1.276 22 N CA 0.121 53.147 53.050 -0.040 0.000 1.743 22 N CB 0.745 39.217 38.487 -0.024 0.000 1.505 22 N HN 0.287 nan 8.380 nan 0.000 0.636 23 E N 0.233 120.363 120.200 -0.117 0.000 3.751 23 E HA 0.204 4.553 4.350 -0.001 0.000 0.281 23 E C 0.090 176.536 176.600 -0.257 0.000 1.086 23 E CA 0.007 56.262 56.400 -0.241 0.000 1.579 23 E CB 0.358 29.869 29.700 -0.316 0.000 1.666 23 E HN 0.253 nan 8.360 nan 0.000 0.655 24 D N -1.614 118.548 120.400 -0.397 0.000 2.623 24 D HA 0.279 4.919 4.640 -0.001 0.000 0.252 24 D C -0.132 176.064 176.300 -0.175 0.000 1.294 24 D CA -0.390 53.453 54.000 -0.261 0.000 0.824 24 D CB 0.461 41.099 40.800 -0.269 0.000 1.070 24 D HN 0.105 nan 8.370 nan 0.000 0.487 25 V N -0.406 119.423 119.914 -0.141 0.000 6.255 25 V HA -0.210 3.910 4.120 -0.001 0.000 0.344 25 V C 0.372 176.443 176.094 -0.039 0.000 0.339 25 V CA -0.047 62.223 62.300 -0.049 0.000 0.722 25 V CB -2.124 29.691 31.823 -0.014 0.000 0.369 25 V HN 0.614 nan 8.190 nan 0.000 1.517 26 Q N 0.638 120.378 119.800 -0.099 0.000 2.479 26 Q HA 0.415 4.754 4.340 -0.001 0.000 0.267 26 Q C -0.329 175.697 176.000 0.042 0.000 1.071 26 Q CA 0.378 56.172 55.803 -0.015 0.000 0.935 26 Q CB 0.706 29.419 28.738 -0.042 0.000 1.295 26 Q HN 0.699 nan 8.270 nan 0.000 0.476 27 L N 2.207 123.474 121.223 0.074 0.000 2.330 27 L HA 0.534 4.874 4.340 -0.001 0.000 0.271 27 L C 0.063 176.967 176.870 0.058 0.000 1.013 27 L CA -0.977 53.907 54.840 0.073 0.000 0.816 27 L CB 1.494 43.601 42.059 0.080 0.000 1.287 27 L HN 0.613 nan 8.230 nan 0.000 0.435 28 R N 0.956 121.483 120.500 0.046 0.000 2.351 28 R HA 0.043 4.382 4.340 -0.001 0.000 0.318 28 R C 0.850 177.172 176.300 0.037 0.000 1.055 28 R CA -0.354 55.767 56.100 0.036 0.000 0.968 28 R CB 0.708 31.024 30.300 0.026 0.000 0.974 28 R HN 0.457 nan 8.270 nan 0.000 0.439 29 L N 3.843 125.088 121.223 0.036 0.000 1.989 29 L HA -0.220 4.120 4.340 -0.001 0.000 0.211 29 L C 1.231 178.118 176.870 0.028 0.000 1.071 29 L CA 1.912 56.771 54.840 0.031 0.000 0.749 29 L CB -0.384 41.693 42.059 0.029 0.000 0.890 29 L HN 0.586 nan 8.230 nan 0.000 0.431 30 N N -0.909 117.807 118.700 0.027 0.000 2.680 30 N HA -0.106 4.634 4.740 -0.001 0.000 0.197 30 N C 1.444 176.971 175.510 0.028 0.000 1.288 30 N CA 0.921 53.987 53.050 0.026 0.000 0.924 30 N CB 0.094 38.595 38.487 0.024 0.000 1.025 30 N HN 0.435 nan 8.380 nan 0.000 0.447 31 S N -0.608 115.111 115.700 0.031 0.000 2.670 31 S HA 0.238 4.707 4.470 -0.001 0.000 0.241 31 S C 1.541 176.165 174.600 0.041 0.000 1.077 31 S CA -0.391 57.829 58.200 0.034 0.000 0.899 31 S CB 0.372 63.589 63.200 0.029 0.000 0.835 31 S HN 0.026 nan 8.310 nan 0.000 0.481 32 I N 2.511 123.104 120.570 0.038 0.000 2.567 32 I HA -0.045 4.125 4.170 -0.001 0.000 0.257 32 I C 1.754 177.893 176.117 0.036 0.000 1.184 32 I CA 1.368 62.689 61.300 0.034 0.000 1.451 32 I CB -0.742 37.270 38.000 0.020 0.000 1.089 32 I HN 0.325 nan 8.210 nan 0.000 0.441 33 K N 0.623 121.046 120.400 0.039 0.000 2.305 33 K HA -0.011 4.308 4.320 -0.001 0.000 0.199 33 K C 0.895 177.531 176.600 0.060 0.000 1.047 33 K CA 0.492 56.806 56.287 0.045 0.000 0.976 33 K CB 0.150 32.672 32.500 0.036 0.000 0.765 33 K HN 0.177 nan 8.250 nan 0.000 0.474 34 K N 1.234 121.669 120.400 0.057 0.000 3.101 34 K HA 0.087 4.406 4.320 -0.001 0.000 0.229 34 K C 0.430 177.080 176.600 0.083 0.000 1.232 34 K CA -0.146 56.178 56.287 0.061 0.000 1.210 34 K CB 0.504 33.031 32.500 0.044 0.000 1.284 34 K HN -0.031 nan 8.250 nan 0.000 0.448 35 L N 0.513 121.809 121.223 0.122 0.000 2.168 35 L HA -0.055 4.285 4.340 -0.001 0.000 0.203 35 L C 1.859 178.901 176.870 0.286 0.000 1.078 35 L CA 1.586 56.539 54.840 0.187 0.000 0.780 35 L CB -0.195 41.962 42.059 0.163 0.000 0.939 35 L HN 0.245 nan 8.230 nan 0.000 0.451 36 S N -1.936 113.930 115.700 0.276 0.000 2.528 36 S HA -0.173 4.297 4.470 -0.001 0.000 0.244 36 S C 1.656 176.255 174.600 -0.000 0.000 0.982 36 S CA 1.293 59.548 58.200 0.092 0.000 0.953 36 S CB -1.326 61.892 63.200 0.029 0.000 0.754 36 S HN 0.690 nan 8.310 nan 0.000 0.529 37 T N -0.574 114.010 114.554 0.050 0.000 3.033 37 T HA 0.258 4.607 4.350 -0.001 0.000 0.248 37 T C 1.537 176.253 174.700 0.025 0.000 1.040 37 T CA 0.154 62.266 62.100 0.020 0.000 1.133 37 T CB -0.544 68.339 68.868 0.026 0.000 0.895 37 T HN 0.280 nan 8.240 nan 0.000 0.465 38 I N 2.824 123.428 120.570 0.057 0.000 2.454 38 I HA 0.103 4.272 4.170 -0.001 0.000 0.254 38 I C 2.863 179.009 176.117 0.047 0.000 1.156 38 I CA 0.787 62.116 61.300 0.048 0.000 1.433 38 I CB -0.776 37.257 38.000 0.055 0.000 1.082 38 I HN 0.382 nan 8.210 nan 0.000 0.432 39 A N -0.349 122.513 122.820 0.070 0.000 2.014 39 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 39 A C 2.310 179.862 177.584 -0.054 0.000 1.163 39 A CA 1.094 53.146 52.037 0.025 0.000 0.652 39 A CB -0.623 18.343 19.000 -0.057 0.000 0.808 39 A HN 0.401 nan 8.150 nan 0.000 0.449 40 L N -1.218 119.973 121.223 -0.054 0.000 2.162 40 L HA -0.040 4.300 4.340 -0.001 0.000 0.205 40 L C 2.967 179.816 176.870 -0.035 0.000 1.086 40 L CA 0.703 55.507 54.840 -0.060 0.000 0.778 40 L CB -0.389 41.636 42.059 -0.056 0.000 0.928 40 L HN 0.440 nan 8.230 nan 0.000 0.446 41 A N 0.735 123.545 122.820 -0.016 0.000 1.827 41 A HA -0.122 4.198 4.320 -0.001 0.000 0.215 41 A C 0.905 178.481 177.584 -0.013 0.000 1.212 41 A CA 0.993 53.025 52.037 -0.008 0.000 0.624 41 A CB -1.163 17.840 19.000 0.005 0.000 0.853 41 A HN 0.239 nan 8.150 nan 0.000 0.450 42 L N -1.174 120.043 121.223 -0.010 0.000 2.467 42 L HA 0.558 4.897 4.340 -0.001 0.000 0.270 42 L C 0.957 177.810 176.870 -0.028 0.000 1.205 42 L CA 0.058 54.889 54.840 -0.015 0.000 0.828 42 L CB -0.822 41.231 42.059 -0.010 0.000 1.101 42 L HN 0.273 nan 8.230 nan 0.000 0.479 43 G N 0.279 109.057 108.800 -0.036 0.000 2.621 43 G HA2 0.353 4.312 3.960 -0.001 0.000 0.271 43 G HA3 0.353 4.312 3.960 -0.001 0.000 0.271 43 G C 0.886 175.743 174.900 -0.072 0.000 1.236 43 G CA -0.243 44.824 45.100 -0.055 0.000 0.958 43 G HN 0.619 nan 8.290 nan 0.000 0.512 44 V N 0.195 120.048 119.914 -0.102 0.000 2.250 44 V HA -0.245 3.875 4.120 -0.001 0.000 0.250 44 V C 2.941 178.948 176.094 -0.146 0.000 1.060 44 V CA 3.056 65.270 62.300 -0.142 0.000 1.030 44 V CB -0.584 31.128 31.823 -0.185 0.000 0.643 44 V HN 0.826 nan 8.190 nan 0.000 0.445 45 E N -0.195 119.924 120.200 -0.136 0.000 2.058 45 E HA -0.230 4.120 4.350 -0.001 0.000 0.194 45 E C 2.335 178.898 176.600 -0.061 0.000 0.997 45 E CA 1.628 57.961 56.400 -0.112 0.000 0.801 45 E CB -0.350 29.303 29.700 -0.077 0.000 0.746 45 E HN 0.559 nan 8.360 nan 0.000 0.450 46 R N -0.084 120.390 120.500 -0.043 0.000 2.148 46 R HA 0.027 4.367 4.340 -0.001 0.000 0.223 46 R C 2.131 178.430 176.300 -0.002 0.000 1.088 46 R CA 1.360 57.449 56.100 -0.018 0.000 0.985 46 R CB -0.216 30.074 30.300 -0.016 0.000 0.880 46 R HN 0.171 nan 8.270 nan 0.000 0.451 47 T N 0.657 115.206 114.554 -0.009 0.000 2.788 47 T HA -0.116 4.233 4.350 -0.001 0.000 0.268 47 T C 1.748 176.478 174.700 0.050 0.000 1.044 47 T CA 1.173 63.294 62.100 0.036 0.000 1.139 47 T CB -0.047 68.833 68.868 0.021 0.000 0.867 47 T HN 0.292 nan 8.240 nan 0.000 0.454 48 R N 1.200 121.703 120.500 0.006 0.000 2.052 48 R HA -0.021 4.318 4.340 -0.001 0.000 0.226 48 R C 3.106 179.426 176.300 0.034 0.000 1.145 48 R CA 1.613 57.722 56.100 0.016 0.000 0.952 48 R CB -0.556 29.732 30.300 -0.020 0.000 0.847 48 R HN 0.484 nan 8.270 nan 0.000 0.431 49 S N 0.988 116.702 115.700 0.023 0.000 2.399 49 S HA -0.176 4.294 4.470 -0.001 0.000 0.231 49 S C 1.649 176.273 174.600 0.041 0.000 1.022 49 S CA 1.606 59.825 58.200 0.032 0.000 0.983 49 S CB -0.165 63.048 63.200 0.021 0.000 0.803 49 S HN 0.554 nan 8.310 nan 0.000 0.480 50 E N -0.281 119.944 120.200 0.042 0.000 2.399 50 E HA 0.246 4.595 4.350 -0.001 0.000 0.206 50 E C 1.883 178.535 176.600 0.087 0.000 0.812 50 E CA -0.096 56.335 56.400 0.052 0.000 1.138 50 E CB -0.619 29.091 29.700 0.017 0.000 1.140 50 E HN 0.363 nan 8.360 nan 0.000 0.536 51 L N 1.829 123.102 121.223 0.084 0.000 2.005 51 L HA 0.015 4.355 4.340 -0.001 0.000 0.207 51 L C 2.216 179.186 176.870 0.166 0.000 1.072 51 L CA 1.519 56.438 54.840 0.132 0.000 0.744 51 L CB -0.429 41.710 42.059 0.134 0.000 0.895 51 L HN 0.147 nan 8.230 nan 0.000 0.433 52 L N -0.461 120.831 121.223 0.115 0.000 1.989 52 L HA -0.166 4.174 4.340 -0.001 0.000 0.211 52 L C -0.068 176.841 176.870 0.064 0.000 1.071 52 L CA 1.549 56.432 54.840 0.072 0.000 0.749 52 L CB -1.795 40.300 42.059 0.060 0.000 0.890 52 L HN 0.226 nan 8.230 nan 0.000 0.431 53 P HA -0.248 nan 4.420 nan 0.000 0.216 53 P C 1.548 178.895 177.300 0.080 0.000 1.153 53 P CA 1.476 64.617 63.100 0.068 0.000 0.858 53 P CB -0.103 31.644 31.700 0.078 0.000 0.789 54 F N -0.049 119.897 119.950 -0.007 0.000 2.161 54 F HA -0.162 4.364 4.527 -0.001 0.000 0.300 54 F C 1.836 177.625 175.800 -0.018 0.000 1.089 54 F CA 1.466 59.460 58.000 -0.011 0.000 1.282 54 F CB -0.858 38.135 39.000 -0.013 0.000 1.010 54 F HN -0.225 nan 8.300 nan 0.000 0.485 55 L N -0.812 120.332 121.223 -0.132 0.000 2.072 55 L HA -0.166 4.174 4.340 -0.001 0.000 0.205 55 L C 2.397 179.142 176.870 -0.208 0.000 1.079 55 L CA 1.422 56.118 54.840 -0.240 0.000 0.752 55 L CB -1.230 40.771 42.059 -0.097 0.000 0.906 55 L HN 0.089 nan 8.230 nan 0.000 0.436 56 T N 0.487 114.970 114.554 -0.120 0.000 2.565 56 T HA -0.275 4.075 4.350 -0.001 0.000 0.265 56 T C 1.335 175.971 174.700 -0.107 0.000 1.082 56 T CA 2.407 64.454 62.100 -0.089 0.000 1.173 56 T CB -0.426 68.415 68.868 -0.046 0.000 0.864 56 T HN 0.622 nan 8.240 nan 0.000 0.425 57 D N 0.320 120.650 120.400 -0.117 0.000 2.110 57 D HA -0.011 4.629 4.640 -0.001 0.000 0.202 57 D C 0.928 177.141 176.300 -0.144 0.000 0.975 57 D CA 0.586 54.523 54.000 -0.105 0.000 0.839 57 D CB -1.103 39.653 40.800 -0.073 0.000 0.996 57 D HN 0.161 nan 8.370 nan 0.000 0.464 58 T N 0.918 115.316 114.554 -0.259 0.000 2.741 58 T HA 0.074 4.423 4.350 -0.001 0.000 0.237 58 T C 0.063 174.646 174.700 -0.194 0.000 1.065 58 T CA 0.456 62.376 62.100 -0.300 0.000 1.560 58 T CB -0.862 67.597 68.868 -0.681 0.000 1.071 58 T HN 0.210 nan 8.240 nan 0.000 0.542 59 I N 4.019 124.539 120.570 -0.083 0.000 2.641 59 I HA 0.233 4.403 4.170 -0.001 0.000 0.275 59 I C -0.286 175.859 176.117 0.047 0.000 1.129 59 I CA -0.973 60.306 61.300 -0.035 0.000 1.094 59 I CB 0.595 38.565 38.000 -0.049 0.000 1.232 59 I HN 0.411 nan 8.210 nan 0.000 0.503 60 Y N 4.688 124.949 120.300 -0.064 0.000 2.282 60 Y HA 0.210 4.759 4.550 -0.001 0.000 0.335 60 Y C 1.025 176.905 175.900 -0.033 0.000 1.335 60 Y CA -0.149 57.926 58.100 -0.041 0.000 1.529 60 Y CB 0.747 39.186 38.460 -0.036 0.000 1.429 60 Y HN 0.363 nan 8.280 nan 0.000 0.563 61 D N 1.028 120.825 120.400 -1.005 0.000 2.370 61 D HA -0.013 4.627 4.640 -0.001 0.000 0.230 61 D C -0.449 175.378 176.300 -0.788 0.000 1.143 61 D CA 0.301 53.848 54.000 -0.755 0.000 0.834 61 D CB -0.211 40.265 40.800 -0.539 0.000 0.944 61 D HN 0.415 nan 8.370 nan 0.000 0.504 62 E N 1.563 121.287 120.200 -0.793 0.000 1.881 62 E HA -0.032 4.318 4.350 -0.001 0.000 0.264 62 E C 0.762 177.265 176.600 -0.162 0.000 1.243 62 E CA 0.014 56.234 56.400 -0.300 0.000 0.965 62 E CB 0.059 29.787 29.700 0.047 0.000 1.055 62 E HN -0.023 nan 8.360 nan 0.000 0.412 63 D N 3.977 124.283 120.400 -0.156 0.000 2.106 63 D HA -0.224 4.416 4.640 -0.001 0.000 0.191 63 D C 0.914 177.182 176.300 -0.054 0.000 0.997 63 D CA 1.433 55.375 54.000 -0.097 0.000 0.834 63 D CB 0.188 40.938 40.800 -0.083 0.000 0.956 63 D HN 0.650 nan 8.370 nan 0.000 0.448 64 E N 0.356 120.535 120.200 -0.036 0.000 2.284 64 E HA -0.143 4.207 4.350 -0.001 0.000 0.200 64 E C 2.160 178.753 176.600 -0.011 0.000 1.008 64 E CA 0.526 56.917 56.400 -0.015 0.000 0.829 64 E CB 0.101 29.800 29.700 -0.003 0.000 0.744 64 E HN 0.162 nan 8.360 nan 0.000 0.491 65 V N 1.049 120.953 119.914 -0.016 0.000 2.300 65 V HA -0.174 3.945 4.120 -0.001 0.000 0.241 65 V C 2.252 178.330 176.094 -0.026 0.000 1.034 65 V CA 1.049 63.344 62.300 -0.009 0.000 1.021 65 V CB -0.391 31.437 31.823 0.009 0.000 0.662 65 V HN 0.209 nan 8.190 nan 0.000 0.458 66 L N -0.441 120.757 121.223 -0.043 0.000 2.089 66 L HA -0.265 4.074 4.340 -0.001 0.000 0.213 66 L C 2.440 179.286 176.870 -0.041 0.000 1.079 66 L CA 1.361 56.171 54.840 -0.050 0.000 0.758 66 L CB -0.654 41.367 42.059 -0.064 0.000 0.891 66 L HN 0.342 nan 8.230 nan 0.000 0.433 67 L N -0.018 121.186 121.223 -0.032 0.000 1.961 67 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 67 L C 2.717 179.577 176.870 -0.017 0.000 1.072 67 L CA 2.190 57.017 54.840 -0.021 0.000 0.749 67 L CB -0.849 41.202 42.059 -0.014 0.000 0.889 67 L HN 0.169 nan 8.230 nan 0.000 0.432 68 A N -0.759 122.053 122.820 -0.013 0.000 1.917 68 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 68 A C 2.273 179.841 177.584 -0.027 0.000 1.182 68 A CA 2.255 54.286 52.037 -0.009 0.000 0.633 68 A CB -1.216 17.783 19.000 -0.001 0.000 0.819 68 A HN 0.526 nan 8.150 nan 0.000 0.448 69 L N -0.405 120.792 121.223 -0.043 0.000 2.079 69 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 69 L C 2.644 179.464 176.870 -0.083 0.000 1.081 69 L CA 2.256 57.049 54.840 -0.078 0.000 0.752 69 L CB -0.765 41.245 42.059 -0.082 0.000 0.896 69 L HN 0.357 nan 8.230 nan 0.000 0.433 70 A N -0.753 122.036 122.820 -0.052 0.000 1.898 70 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 70 A C 2.286 179.859 177.584 -0.019 0.000 1.181 70 A CA 1.581 53.596 52.037 -0.037 0.000 0.620 70 A CB -0.664 18.323 19.000 -0.023 0.000 0.819 70 A HN 0.623 nan 8.150 nan 0.000 0.442 71 E N -0.783 119.411 120.200 -0.009 0.000 2.028 71 E HA -0.280 4.069 4.350 -0.001 0.000 0.191 71 E C 2.159 178.771 176.600 0.021 0.000 0.988 71 E CA 1.604 58.011 56.400 0.013 0.000 0.799 71 E CB -0.238 29.472 29.700 0.017 0.000 0.755 71 E HN 0.473 nan 8.360 nan 0.000 0.447 72 Q N 0.516 120.316 119.800 -0.000 0.000 2.096 72 Q HA -0.097 4.243 4.340 -0.001 0.000 0.204 72 Q C 2.131 178.126 176.000 -0.008 0.000 0.982 72 Q CA 1.523 57.334 55.803 0.012 0.000 0.850 72 Q CB -0.300 28.412 28.738 -0.044 0.000 0.901 72 Q HN 0.443 nan 8.270 nan 0.000 0.422 73 L N -1.048 120.108 121.223 -0.112 0.000 2.275 73 L HA -0.068 4.271 4.340 -0.001 0.000 0.215 73 L C 1.914 178.824 176.870 0.066 0.000 1.119 73 L CA 0.882 55.655 54.840 -0.112 0.000 0.790 73 L CB -0.470 41.512 42.059 -0.128 0.000 0.919 73 L HN 0.342 nan 8.230 nan 0.000 0.443 74 G N -1.296 107.549 108.800 0.075 0.000 2.679 74 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.212 74 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.212 74 G C 1.246 176.221 174.900 0.125 0.000 1.137 74 G CA 1.033 46.193 45.100 0.099 0.000 0.787 74 G HN 0.448 nan 8.290 nan 0.000 0.534 75 T N -4.101 110.554 114.554 0.169 0.000 3.145 75 T HA 0.296 4.646 4.350 -0.001 0.000 0.281 75 T C 0.996 175.822 174.700 0.210 0.000 1.003 75 T CA -0.473 61.723 62.100 0.160 0.000 0.901 75 T CB -0.190 68.757 68.868 0.133 0.000 1.112 75 T HN -0.043 nan 8.240 nan 0.000 0.535 76 F N 2.193 122.152 119.950 0.016 0.000 2.765 76 F HA 0.295 4.822 4.527 -0.001 0.000 0.302 76 F C 2.136 177.934 175.800 -0.003 0.000 1.111 76 F CA -0.441 57.562 58.000 0.005 0.000 1.359 76 F CB -0.248 38.757 39.000 0.007 0.000 1.097 76 F HN 0.145 nan 8.300 nan 0.000 0.577 77 T N -1.083 113.540 114.554 0.115 0.000 2.597 77 T HA -0.310 4.039 4.350 -0.001 0.000 0.267 77 T C 2.280 176.974 174.700 -0.010 0.000 1.053 77 T CA 2.406 64.537 62.100 0.050 0.000 1.165 77 T CB -0.609 68.284 68.868 0.041 0.000 0.863 77 T HN 0.306 nan 8.240 nan 0.000 0.427 78 T N 0.855 115.384 114.554 -0.042 0.000 2.962 78 T HA 0.059 4.409 4.350 -0.001 0.000 0.270 78 T C 1.607 176.225 174.700 -0.136 0.000 1.088 78 T CA 0.610 62.665 62.100 -0.074 0.000 1.127 78 T CB -0.441 68.388 68.868 -0.065 0.000 0.883 78 T HN 0.272 nan 8.240 nan 0.000 0.493 79 L N 0.697 121.783 121.223 -0.228 0.000 2.627 79 L HA 0.226 4.565 4.340 -0.001 0.000 0.233 79 L C 1.578 178.314 176.870 -0.224 0.000 1.144 79 L CA -0.012 54.637 54.840 -0.318 0.000 0.892 79 L CB 0.340 41.992 42.059 -0.679 0.000 1.039 79 L HN 0.192 nan 8.230 nan 0.000 0.442 80 V N -1.507 118.325 119.914 -0.137 0.000 3.645 80 V HA 0.369 4.488 4.120 -0.001 0.000 0.275 80 V C 1.374 177.349 176.094 -0.199 0.000 1.356 80 V CA 0.786 63.025 62.300 -0.103 0.000 1.051 80 V CB 0.832 32.650 31.823 -0.008 0.000 0.828 80 V HN 0.485 nan 8.190 nan 0.000 0.441 81 G N -0.945 107.757 108.800 -0.164 0.000 2.321 81 G HA2 0.329 4.288 3.960 -0.001 0.000 0.174 81 G HA3 0.329 4.288 3.960 -0.001 0.000 0.174 81 G C 0.582 175.478 174.900 -0.006 0.000 1.008 81 G CA 0.001 44.986 45.100 -0.191 0.000 0.739 81 G HN 1.462 nan 8.290 nan 0.000 0.502 82 G N -0.302 108.495 108.800 -0.005 0.000 2.698 82 G HA2 0.115 4.074 3.960 -0.001 0.000 0.225 82 G HA3 0.115 4.074 3.960 -0.001 0.000 0.225 82 G C -0.883 174.039 174.900 0.036 0.000 1.345 82 G CA 0.268 45.378 45.100 0.018 0.000 0.871 82 G HN 0.473 nan 8.290 nan 0.000 0.540 83 P HA -0.078 nan 4.420 nan 0.000 0.214 83 P C 1.602 178.880 177.300 -0.036 0.000 1.169 83 P CA 2.122 65.213 63.100 -0.016 0.000 0.908 83 P CB -0.154 31.544 31.700 -0.004 0.000 0.791 84 E N -2.338 117.857 120.200 -0.008 0.000 2.352 84 E HA -0.224 4.126 4.350 -0.001 0.000 0.203 84 E C 0.652 177.064 176.600 -0.313 0.000 1.024 84 E CA 1.164 57.495 56.400 -0.116 0.000 0.842 84 E CB -0.444 29.183 29.700 -0.121 0.000 0.753 84 E HN 0.506 nan 8.360 nan 0.000 0.508 85 Y N -1.817 118.368 120.300 -0.192 0.000 2.641 85 Y HA 0.122 4.671 4.550 -0.001 0.000 0.248 85 Y C 1.444 177.056 175.900 -0.480 0.000 1.170 85 Y CA -0.297 57.566 58.100 -0.395 0.000 1.201 85 Y CB 0.587 38.896 38.460 -0.252 0.000 1.232 85 Y HN -0.125 nan 8.280 nan 0.000 0.537 86 V N 1.069 120.839 119.914 -0.240 0.000 2.546 86 V HA -0.341 3.778 4.120 -0.001 0.000 0.254 86 V C 2.229 178.146 176.094 -0.296 0.000 1.076 86 V CA 2.859 65.010 62.300 -0.248 0.000 1.087 86 V CB -0.334 31.303 31.823 -0.310 0.000 0.674 86 V HN 0.758 nan 8.190 nan 0.000 0.470 87 H N -2.093 116.777 119.070 -0.333 0.000 2.521 87 H HA -0.088 4.467 4.556 -0.001 0.000 0.286 87 H C 2.048 177.336 175.328 -0.067 0.000 1.034 87 H CA 1.502 57.426 56.048 -0.206 0.000 1.278 87 H CB -1.481 28.019 29.762 -0.437 0.000 1.386 87 H HN 0.493 nan 8.280 nan 0.000 0.567 88 C N 0.754 119.896 119.300 -0.264 0.000 2.419 88 C HA -0.031 4.428 4.460 -0.001 0.000 0.283 88 C C 2.460 177.462 174.990 0.019 0.000 1.373 88 C CA 0.576 59.553 59.018 -0.068 0.000 1.781 88 C CB -1.183 26.517 27.740 -0.066 0.000 1.886 88 C HN 0.620 nan 8.230 nan 0.000 0.520 89 L N 0.021 121.264 121.223 0.033 0.000 2.478 89 L HA -0.016 4.323 4.340 -0.001 0.000 0.223 89 L C 2.360 179.278 176.870 0.079 0.000 1.140 89 L CA 0.614 55.492 54.840 0.063 0.000 0.842 89 L CB -0.469 41.644 42.059 0.090 0.000 0.953 89 L HN 0.397 nan 8.230 nan 0.000 0.452 90 L N 0.026 121.320 121.223 0.117 0.000 1.988 90 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 90 L C -0.017 176.874 176.870 0.034 0.000 1.071 90 L CA 1.426 56.327 54.840 0.103 0.000 0.744 90 L CB -1.936 40.214 42.059 0.152 0.000 0.893 90 L HN 0.167 nan 8.230 nan 0.000 0.433 91 P HA -0.195 nan 4.420 nan 0.000 0.217 91 P C -1.382 175.906 177.300 -0.020 0.000 1.162 91 P CA 2.038 65.140 63.100 0.005 0.000 0.901 91 P CB -1.167 30.545 31.700 0.020 0.000 0.793 92 P HA -0.081 nan 4.420 nan 0.000 0.219 92 P C 1.625 178.897 177.300 -0.046 0.000 1.150 92 P CA 1.331 64.404 63.100 -0.044 0.000 0.814 92 P CB -0.317 31.349 31.700 -0.056 0.000 0.787 93 L N -0.224 120.982 121.223 -0.028 0.000 2.095 93 L HA -0.081 4.259 4.340 -0.001 0.000 0.204 93 L C 2.942 179.785 176.870 -0.044 0.000 1.080 93 L CA 1.287 56.111 54.840 -0.026 0.000 0.759 93 L CB -0.861 41.201 42.059 0.005 0.000 0.914 93 L HN -0.003 nan 8.230 nan 0.000 0.439 94 E N -0.170 119.996 120.200 -0.056 0.000 2.049 94 E HA -0.282 4.068 4.350 -0.001 0.000 0.198 94 E C 2.263 178.816 176.600 -0.077 0.000 1.007 94 E CA 1.764 58.114 56.400 -0.084 0.000 0.809 94 E CB -0.034 29.610 29.700 -0.094 0.000 0.749 94 E HN 0.313 nan 8.360 nan 0.000 0.450 95 S N 0.185 115.844 115.700 -0.069 0.000 2.414 95 S HA -0.220 4.249 4.470 -0.001 0.000 0.225 95 S C 1.996 176.565 174.600 -0.052 0.000 1.041 95 S CA 1.771 59.932 58.200 -0.065 0.000 1.114 95 S CB -0.673 62.490 63.200 -0.062 0.000 1.064 95 S HN 0.425 nan 8.310 nan 0.000 0.420 96 L N 1.138 122.332 121.223 -0.049 0.000 2.369 96 L HA -0.216 4.123 4.340 -0.001 0.000 0.220 96 L C 2.641 179.489 176.870 -0.036 0.000 1.119 96 L CA 1.077 55.891 54.840 -0.043 0.000 0.780 96 L CB -0.609 41.424 42.059 -0.044 0.000 0.906 96 L HN 0.528 nan 8.230 nan 0.000 0.442 97 A N -1.148 121.647 122.820 -0.041 0.000 2.016 97 A HA -0.085 4.235 4.320 -0.001 0.000 0.217 97 A C 2.077 179.639 177.584 -0.036 0.000 1.162 97 A CA 1.592 53.606 52.037 -0.038 0.000 0.662 97 A CB -0.339 18.630 19.000 -0.053 0.000 0.812 97 A HN 0.366 nan 8.150 nan 0.000 0.450 98 T N -0.120 114.415 114.554 -0.032 0.000 3.144 98 T HA 0.259 4.609 4.350 -0.001 0.000 0.249 98 T C 0.972 175.682 174.700 0.016 0.000 1.089 98 T CA 0.178 62.276 62.100 -0.003 0.000 0.989 98 T CB -0.229 68.648 68.868 0.016 0.000 0.992 98 T HN 0.114 nan 8.240 nan 0.000 0.540 99 V N 1.355 121.262 119.914 -0.012 0.000 4.045 99 V HA 0.038 4.158 4.120 -0.001 0.000 0.265 99 V C 1.522 177.584 176.094 -0.054 0.000 0.889 99 V CA 0.403 62.690 62.300 -0.021 0.000 0.887 99 V CB 0.260 32.061 31.823 -0.036 0.000 1.193 99 V HN 0.323 nan 8.190 nan 0.000 0.406 100 E N -0.479 119.685 120.200 -0.060 0.000 3.770 100 E HA 0.154 4.504 4.350 -0.001 0.000 0.331 100 E C 0.328 176.900 176.600 -0.047 0.000 0.714 100 E CA -0.536 55.823 56.400 -0.068 0.000 1.547 100 E CB -0.204 29.454 29.700 -0.070 0.000 2.420 100 E HN 0.680 nan 8.360 nan 0.000 0.501 101 E N 2.549 122.724 120.200 -0.041 0.000 3.212 101 E HA -0.208 4.142 4.350 -0.001 0.000 0.266 101 E C 0.747 177.337 176.600 -0.017 0.000 0.836 101 E CA 0.386 56.770 56.400 -0.027 0.000 1.012 101 E CB -0.256 29.423 29.700 -0.035 0.000 0.777 101 E HN 0.463 nan 8.360 nan 0.000 0.505 102 T N 0.402 114.955 114.554 -0.002 0.000 2.693 102 T HA -0.363 3.987 4.350 -0.001 0.000 0.263 102 T C 1.737 176.442 174.700 0.007 0.000 1.046 102 T CA 1.799 63.905 62.100 0.010 0.000 1.160 102 T CB -0.822 68.064 68.868 0.029 0.000 0.853 102 T HN 0.341 nan 8.240 nan 0.000 0.462 103 V N 1.373 121.290 119.914 0.005 0.000 2.277 103 V HA -0.246 3.874 4.120 -0.001 0.000 0.255 103 V C 2.878 178.972 176.094 0.000 0.000 1.074 103 V CA 2.225 64.527 62.300 0.005 0.000 1.058 103 V CB -1.128 30.695 31.823 -0.001 0.000 0.656 103 V HN 0.520 nan 8.190 nan 0.000 0.449 104 V N -0.441 119.467 119.914 -0.010 0.000 2.270 104 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 104 V C 2.598 178.685 176.094 -0.011 0.000 1.043 104 V CA 2.128 64.418 62.300 -0.016 0.000 1.014 104 V CB -0.734 31.071 31.823 -0.030 0.000 0.645 104 V HN 0.469 nan 8.190 nan 0.000 0.447 105 R N 0.015 120.509 120.500 -0.010 0.000 2.117 105 R HA -0.194 4.146 4.340 -0.001 0.000 0.243 105 R C 2.009 178.314 176.300 0.008 0.000 1.143 105 R CA 1.795 57.892 56.100 -0.006 0.000 0.968 105 R CB -0.625 29.672 30.300 -0.006 0.000 0.863 105 R HN 0.563 nan 8.270 nan 0.000 0.444 106 D N 0.680 121.089 120.400 0.016 0.000 2.087 106 D HA -0.145 4.495 4.640 -0.001 0.000 0.192 106 D C 1.873 178.188 176.300 0.026 0.000 0.993 106 D CA 1.062 55.078 54.000 0.027 0.000 0.828 106 D CB -0.123 40.695 40.800 0.030 0.000 0.968 106 D HN -0.025 nan 8.370 nan 0.000 0.448 107 K N 0.913 121.325 120.400 0.019 0.000 2.015 107 K HA -0.136 4.183 4.320 -0.001 0.000 0.216 107 K C 2.123 178.735 176.600 0.020 0.000 1.052 107 K CA 1.289 57.587 56.287 0.019 0.000 0.937 107 K CB -0.900 31.605 32.500 0.009 0.000 0.719 107 K HN 0.109 nan 8.250 nan 0.000 0.446 108 A N 0.834 123.659 122.820 0.008 0.000 1.958 108 A HA -0.187 4.132 4.320 -0.001 0.000 0.221 108 A C 2.538 180.134 177.584 0.019 0.000 1.178 108 A CA 2.248 54.288 52.037 0.005 0.000 0.642 108 A CB -0.694 18.299 19.000 -0.012 0.000 0.816 108 A HN 0.126 nan 8.150 nan 0.000 0.453 109 V N -0.428 119.501 119.914 0.024 0.000 2.346 109 V HA -0.209 3.911 4.120 -0.001 0.000 0.244 109 V C 2.474 178.604 176.094 0.059 0.000 1.037 109 V CA 1.988 64.311 62.300 0.038 0.000 1.029 109 V CB -0.692 31.155 31.823 0.040 0.000 0.663 109 V HN 0.794 nan 8.190 nan 0.000 0.454 110 E N 0.309 120.543 120.200 0.057 0.000 2.130 110 E HA -0.247 4.103 4.350 -0.001 0.000 0.196 110 E C 2.247 178.893 176.600 0.075 0.000 0.998 110 E CA 1.877 58.317 56.400 0.066 0.000 0.806 110 E CB -0.080 29.654 29.700 0.056 0.000 0.738 110 E HN 0.570 nan 8.360 nan 0.000 0.459 111 S N 0.312 116.052 115.700 0.068 0.000 2.371 111 S HA -0.023 4.447 4.470 -0.001 0.000 0.224 111 S C 1.917 176.579 174.600 0.103 0.000 1.029 111 S CA 0.497 58.744 58.200 0.078 0.000 0.978 111 S CB -0.121 63.115 63.200 0.059 0.000 0.833 111 S HN 0.268 nan 8.310 nan 0.000 0.466 112 L N 0.982 122.269 121.223 0.106 0.000 2.079 112 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 112 L C 2.642 179.628 176.870 0.192 0.000 1.081 112 L CA 1.284 56.228 54.840 0.173 0.000 0.752 112 L CB -0.288 41.841 42.059 0.116 0.000 0.896 112 L HN 0.236 nan 8.230 nan 0.000 0.433 113 R N -0.666 119.908 120.500 0.122 0.000 2.092 113 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 113 R C 2.395 178.711 176.300 0.027 0.000 1.119 113 R CA 1.178 57.313 56.100 0.057 0.000 0.970 113 R CB -0.453 29.901 30.300 0.090 0.000 0.864 113 R HN 0.357 nan 8.270 nan 0.000 0.440 114 A N 2.029 124.912 122.820 0.104 0.000 1.841 114 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 114 A C 2.168 179.835 177.584 0.139 0.000 1.199 114 A CA 1.765 53.895 52.037 0.154 0.000 0.621 114 A CB -0.786 18.286 19.000 0.122 0.000 0.835 114 A HN 0.486 nan 8.150 nan 0.000 0.445 115 I N -0.720 119.917 120.570 0.110 0.000 3.176 115 I HA -0.090 4.080 4.170 -0.001 0.000 0.275 115 I C 2.050 178.223 176.117 0.092 0.000 1.298 115 I CA 1.521 62.903 61.300 0.137 0.000 1.445 115 I CB -0.483 37.634 38.000 0.195 0.000 1.075 115 I HN 0.360 nan 8.210 nan 0.000 0.482 116 S N 1.182 116.737 115.700 -0.241 0.000 2.368 116 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 116 S C 1.958 176.275 174.600 -0.471 0.000 1.030 116 S CA 1.257 58.978 58.200 -0.798 0.000 0.999 116 S CB -0.984 61.538 63.200 -1.130 0.000 0.844 116 S HN 0.609 nan 8.310 nan 0.000 0.459 117 H N 1.691 120.691 119.070 -0.117 0.000 2.456 117 H HA 0.089 4.645 4.556 -0.001 0.000 0.296 117 H C 2.142 177.467 175.328 -0.005 0.000 1.079 117 H CA 1.474 57.489 56.048 -0.055 0.000 1.322 117 H CB -0.192 29.553 29.762 -0.029 0.000 1.388 117 H HN 0.564 nan 8.280 nan 0.000 0.538 118 E N 0.915 121.192 120.200 0.129 0.000 2.107 118 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 118 E C 0.378 177.014 176.600 0.060 0.000 0.982 118 E CA 0.288 56.739 56.400 0.083 0.000 0.809 118 E CB -0.388 29.349 29.700 0.062 0.000 0.756 118 E HN 0.537 nan 8.360 nan 0.000 0.459 119 H N 1.147 120.181 119.070 -0.060 0.000 3.016 119 H HA -0.008 4.548 4.556 -0.001 0.000 0.345 119 H C 0.670 175.974 175.328 -0.040 0.000 1.066 119 H CA 0.395 56.412 56.048 -0.051 0.000 1.390 119 H CB 0.430 30.113 29.762 -0.131 0.000 1.344 119 H HN -0.017 nan 8.280 nan 0.000 0.605 120 S N 4.132 119.889 115.700 0.095 0.000 2.652 120 S HA 0.160 4.630 4.470 -0.001 0.000 0.270 120 S C -1.531 173.102 174.600 0.054 0.000 1.243 120 S CA -1.131 57.102 58.200 0.054 0.000 0.999 120 S CB 1.669 64.890 63.200 0.036 0.000 0.973 120 S HN 0.507 nan 8.310 nan 0.000 0.544 121 P HA -0.177 nan 4.420 nan 0.000 0.215 121 P C 1.649 178.961 177.300 0.020 0.000 1.157 121 P CA 1.738 64.844 63.100 0.010 0.000 0.874 121 P CB -0.206 31.494 31.700 0.000 0.000 0.790 122 S N -0.399 115.317 115.700 0.026 0.000 2.383 122 S HA -0.149 4.320 4.470 -0.001 0.000 0.227 122 S C 1.579 176.214 174.600 0.058 0.000 1.026 122 S CA 1.660 59.876 58.200 0.025 0.000 0.981 122 S CB -1.093 62.116 63.200 0.015 0.000 0.818 122 S HN 0.015 nan 8.310 nan 0.000 0.472 123 D N 0.634 121.100 120.400 0.111 0.000 2.312 123 D HA 0.097 4.736 4.640 -0.001 0.000 0.211 123 D C 1.810 178.293 176.300 0.304 0.000 0.964 123 D CA 0.305 54.446 54.000 0.235 0.000 0.877 123 D CB -0.030 40.904 40.800 0.225 0.000 0.924 123 D HN 0.328 nan 8.370 nan 0.000 0.515 124 L N 0.466 121.791 121.223 0.171 0.000 2.005 124 L HA -0.153 4.187 4.340 -0.001 0.000 0.207 124 L C 2.138 179.074 176.870 0.109 0.000 1.072 124 L CA 1.348 56.245 54.840 0.096 0.000 0.744 124 L CB -0.170 41.875 42.059 -0.023 0.000 0.895 124 L HN 0.091 nan 8.230 nan 0.000 0.433 125 E N -0.327 119.902 120.200 0.049 0.000 2.072 125 E HA -0.202 4.148 4.350 -0.001 0.000 0.191 125 E C 2.146 178.724 176.600 -0.037 0.000 0.985 125 E CA 1.120 57.522 56.400 0.004 0.000 0.801 125 E CB -0.116 29.577 29.700 -0.012 0.000 0.750 125 E HN 0.501 nan 8.360 nan 0.000 0.452 126 A N 0.487 123.271 122.820 -0.060 0.000 1.968 126 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 126 A C 1.200 178.508 177.584 -0.460 0.000 1.169 126 A CA 1.571 53.449 52.037 -0.265 0.000 0.638 126 A CB -0.292 18.511 19.000 -0.327 0.000 0.812 126 A HN 0.252 nan 8.150 nan 0.000 0.446 127 H N -4.786 114.291 119.070 0.012 0.000 3.436 127 H HA 0.289 4.844 4.556 -0.001 0.000 0.244 127 H C 1.318 176.671 175.328 0.040 0.000 1.009 127 H CA 0.092 56.151 56.048 0.018 0.000 1.129 127 H CB -0.009 29.777 29.762 0.041 0.000 1.473 127 H HN 0.353 nan 8.280 nan 0.000 0.510 128 F N 1.371 121.335 119.950 0.023 0.000 2.053 128 F HA -0.115 4.412 4.527 -0.001 0.000 0.292 128 F C 2.096 177.792 175.800 -0.175 0.000 1.125 128 F CA 1.172 59.085 58.000 -0.145 0.000 1.193 128 F CB -0.476 38.333 39.000 -0.319 0.000 0.996 128 F HN -0.119 nan 8.300 nan 0.000 0.470 129 V N 1.242 121.149 119.914 -0.013 0.000 2.317 129 V HA -0.282 3.837 4.120 -0.001 0.000 0.251 129 V C -0.561 175.373 176.094 -0.266 0.000 1.065 129 V CA 2.369 64.569 62.300 -0.167 0.000 1.049 129 V CB -1.968 29.799 31.823 -0.093 0.000 0.651 129 V HN 0.231 nan 8.190 nan 0.000 0.450 130 P HA -0.163 nan 4.420 nan 0.000 0.216 130 P C 1.909 179.076 177.300 -0.223 0.000 1.150 130 P CA 1.227 64.219 63.100 -0.181 0.000 0.837 130 P CB -0.098 31.526 31.700 -0.126 0.000 0.786 131 L N -0.898 120.158 121.223 -0.277 0.000 2.093 131 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 131 L C 1.994 178.629 176.870 -0.392 0.000 1.085 131 L CA 1.838 56.484 54.840 -0.324 0.000 0.755 131 L CB -1.293 40.519 42.059 -0.413 0.000 0.904 131 L HN -0.192 nan 8.230 nan 0.000 0.435 132 V N 0.322 119.925 119.914 -0.518 0.000 2.255 132 V HA -0.321 3.798 4.120 -0.001 0.000 0.247 132 V C 2.635 178.484 176.094 -0.408 0.000 1.051 132 V CA 2.356 64.326 62.300 -0.549 0.000 1.018 132 V CB -0.838 30.565 31.823 -0.700 0.000 0.641 132 V HN 0.487 nan 8.190 nan 0.000 0.445 133 K N 0.108 120.265 120.400 -0.405 0.000 1.969 133 K HA -0.177 4.142 4.320 -0.001 0.000 0.216 133 K C 2.299 178.833 176.600 -0.110 0.000 1.048 133 K CA 1.762 57.859 56.287 -0.317 0.000 0.948 133 K CB -0.406 31.860 32.500 -0.389 0.000 0.726 133 K HN 0.353 nan 8.250 nan 0.000 0.442 134 R N 0.923 121.350 120.500 -0.121 0.000 2.174 134 R HA -0.171 4.169 4.340 -0.001 0.000 0.253 134 R C 2.397 178.645 176.300 -0.087 0.000 1.165 134 R CA 1.272 57.321 56.100 -0.085 0.000 0.984 134 R CB -0.539 29.696 30.300 -0.109 0.000 0.873 134 R HN 0.245 nan 8.270 nan 0.000 0.456 135 L N -0.192 120.959 121.223 -0.121 0.000 2.068 135 L HA -0.093 4.247 4.340 -0.001 0.000 0.204 135 L C 2.603 179.458 176.870 -0.025 0.000 1.076 135 L CA 1.012 55.794 54.840 -0.098 0.000 0.753 135 L CB -0.474 41.497 42.059 -0.147 0.000 0.910 135 L HN 0.252 nan 8.230 nan 0.000 0.439 136 A N 0.067 122.888 122.820 0.001 0.000 1.828 136 A HA -0.139 4.181 4.320 -0.001 0.000 0.215 136 A C 1.958 179.615 177.584 0.121 0.000 1.203 136 A CA 1.589 53.696 52.037 0.117 0.000 0.614 136 A CB -1.403 17.750 19.000 0.256 0.000 0.844 136 A HN 0.423 nan 8.150 nan 0.000 0.445 137 G N 0.035 108.924 108.800 0.149 0.000 3.262 137 G HA2 0.406 4.366 3.960 -0.001 0.000 0.222 137 G HA3 0.406 4.366 3.960 -0.001 0.000 0.222 137 G C 0.592 175.525 174.900 0.054 0.000 1.269 137 G CA 0.431 45.604 45.100 0.121 0.000 1.032 137 G HN 0.734 nan 8.290 nan 0.000 0.502 138 G N -0.663 108.155 108.800 0.030 0.000 2.562 138 G HA2 0.343 4.303 3.960 -0.001 0.000 0.275 138 G HA3 0.343 4.303 3.960 -0.001 0.000 0.275 138 G C 0.271 175.188 174.900 0.027 0.000 1.196 138 G CA -0.372 44.719 45.100 -0.015 0.000 0.908 138 G HN 0.101 nan 8.290 nan 0.000 0.524 139 D N -0.313 120.088 120.400 0.002 0.000 2.083 139 D HA -0.047 4.592 4.640 -0.001 0.000 0.225 139 D C 0.773 177.231 176.300 0.263 0.000 0.974 139 D CA 0.580 54.648 54.000 0.113 0.000 0.906 139 D CB -0.332 40.539 40.800 0.119 0.000 1.028 139 D HN 0.343 nan 8.370 nan 0.000 0.446 140 W N 1.206 122.510 121.300 0.007 0.000 2.788 140 W HA -0.188 4.472 4.660 -0.000 0.000 0.327 140 W C 1.609 178.147 176.519 0.032 0.000 1.095 140 W CA -0.403 56.940 57.345 -0.003 0.000 1.387 140 W CB -0.705 28.709 29.460 -0.078 0.000 1.189 140 W HN 0.166 nan 8.180 nan 0.000 0.578 141 F N 0.229 120.293 119.950 0.191 0.000 2.219 141 F HA -0.083 4.444 4.527 -0.001 0.000 0.294 141 F C 2.074 177.929 175.800 0.092 0.000 1.086 141 F CA 1.653 59.713 58.000 0.100 0.000 1.330 141 F CB -1.439 37.585 39.000 0.040 0.000 1.047 141 F HN 0.228 nan 8.300 nan 0.000 0.495 142 T N -2.026 112.059 114.554 -0.781 0.000 2.720 142 T HA -0.247 4.103 4.350 -0.001 0.000 0.268 142 T C 2.189 176.837 174.700 -0.086 0.000 1.037 142 T CA 1.579 63.396 62.100 -0.471 0.000 1.144 142 T CB -1.318 67.253 68.868 -0.496 0.000 0.864 142 T HN 0.398 nan 8.240 nan 0.000 0.444 143 S N 0.557 116.243 115.700 -0.023 0.000 2.462 143 S HA -0.113 4.356 4.470 -0.001 0.000 0.243 143 S C 2.179 176.797 174.600 0.030 0.000 1.003 143 S CA 1.220 59.422 58.200 0.004 0.000 0.970 143 S CB -0.318 62.885 63.200 0.004 0.000 0.762 143 S HN 0.578 nan 8.310 nan 0.000 0.510 144 R N -0.834 119.717 120.500 0.086 0.000 2.142 144 R HA 0.165 4.505 4.340 -0.001 0.000 0.204 144 R C 2.598 178.969 176.300 0.120 0.000 1.059 144 R CA 1.109 57.275 56.100 0.109 0.000 1.055 144 R CB -0.869 29.513 30.300 0.138 0.000 0.976 144 R HN 0.304 nan 8.270 nan 0.000 0.483 145 T N -0.071 114.585 114.554 0.170 0.000 2.624 145 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 145 T C 1.749 176.514 174.700 0.108 0.000 1.041 145 T CA 2.246 64.443 62.100 0.163 0.000 1.159 145 T CB -0.237 68.778 68.868 0.244 0.000 0.863 145 T HN 0.206 nan 8.240 nan 0.000 0.434 146 S N 0.824 116.568 115.700 0.074 0.000 2.423 146 S HA 0.061 4.531 4.470 -0.001 0.000 0.231 146 S C 2.370 176.997 174.600 0.046 0.000 1.014 146 S CA 0.866 59.095 58.200 0.049 0.000 0.965 146 S CB -0.484 62.722 63.200 0.011 0.000 0.785 146 S HN 0.649 nan 8.310 nan 0.000 0.495 147 A N 0.153 123.001 122.820 0.048 0.000 2.125 147 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 147 A C 2.151 179.835 177.584 0.166 0.000 1.156 147 A CA 1.126 53.185 52.037 0.037 0.000 0.671 147 A CB -1.042 17.990 19.000 0.054 0.000 0.794 147 A HN 0.623 nan 8.150 nan 0.000 0.459 148 C N -1.370 118.061 119.300 0.219 0.000 2.468 148 C HA 0.141 4.600 4.460 -0.001 0.000 0.277 148 C C 2.529 177.745 174.990 0.376 0.000 1.400 148 C CA 0.379 59.612 59.018 0.357 0.000 1.770 148 C CB -1.209 26.647 27.740 0.193 0.000 1.905 148 C HN 0.700 nan 8.230 nan 0.000 0.519 149 G N -0.291 108.637 108.800 0.213 0.000 3.088 149 G HA2 0.214 4.174 3.960 -0.001 0.000 0.212 149 G HA3 0.214 4.174 3.960 -0.001 0.000 0.212 149 G C 0.999 175.980 174.900 0.135 0.000 1.173 149 G CA 0.145 45.350 45.100 0.174 0.000 0.779 149 G HN 0.549 nan 8.290 nan 0.000 0.540 150 L N -1.065 120.207 121.223 0.082 0.000 2.808 150 L HA 0.393 4.733 4.340 -0.001 0.000 0.246 150 L C 1.518 178.339 176.870 -0.082 0.000 1.153 150 L CA -0.252 54.579 54.840 -0.015 0.000 0.956 150 L CB 0.071 42.024 42.059 -0.177 0.000 1.270 150 L HN 0.057 nan 8.230 nan 0.000 0.528 151 F N 0.512 120.462 119.950 0.000 0.000 2.219 151 F HA -0.118 4.409 4.527 -0.001 0.000 0.294 151 F C 2.843 178.662 175.800 0.031 0.000 1.086 151 F CA 1.373 59.314 58.000 -0.099 0.000 1.330 151 F CB -0.219 38.468 39.000 -0.521 0.000 1.047 151 F HN 0.108 nan 8.300 nan 0.000 0.495 152 S N 0.216 116.069 115.700 0.254 0.000 2.447 152 S HA -0.121 4.348 4.470 -0.001 0.000 0.233 152 S C 1.965 176.697 174.600 0.220 0.000 1.006 152 S CA 1.114 59.486 58.200 0.287 0.000 0.957 152 S CB -1.269 62.061 63.200 0.217 0.000 0.773 152 S HN 0.263 nan 8.310 nan 0.000 0.507 153 V N 0.877 120.875 119.914 0.141 0.000 2.407 153 V HA -0.056 4.063 4.120 -0.001 0.000 0.245 153 V C 2.715 178.800 176.094 -0.014 0.000 1.041 153 V CA 0.907 63.224 62.300 0.029 0.000 1.040 153 V CB -1.844 29.899 31.823 -0.134 0.000 0.671 153 V HN 0.797 nan 8.190 nan 0.000 0.455 154 C N -1.840 117.477 119.300 0.028 0.000 2.563 154 C HA 0.171 4.631 4.460 -0.001 0.000 0.268 154 C C 2.509 177.566 174.990 0.112 0.000 1.365 154 C CA 0.137 59.160 59.018 0.008 0.000 1.754 154 C CB -1.846 25.933 27.740 0.065 0.000 1.932 154 C HN 0.593 nan 8.230 nan 0.000 0.536 155 Y N 3.907 124.280 120.300 0.123 0.000 2.030 155 Y HA -0.057 4.493 4.550 -0.001 0.000 0.274 155 Y C -0.256 175.704 175.900 0.101 0.000 1.153 155 Y CA 2.413 60.617 58.100 0.172 0.000 1.115 155 Y CB -1.688 36.960 38.460 0.313 0.000 0.969 155 Y HN 0.183 nan 8.280 nan 0.000 0.488 156 P HA -0.197 nan 4.420 nan 0.000 0.216 156 P C 1.018 178.281 177.300 -0.062 0.000 1.154 156 P CA 2.554 65.662 63.100 0.014 0.000 0.865 156 P CB -0.100 31.662 31.700 0.104 0.000 0.789 157 R N -0.762 119.716 120.500 -0.037 0.000 2.240 157 R HA 0.075 4.415 4.340 -0.001 0.000 0.203 157 R C 1.076 177.339 176.300 -0.061 0.000 1.011 157 R CA 0.209 56.285 56.100 -0.040 0.000 1.007 157 R CB -0.592 29.696 30.300 -0.020 0.000 0.911 157 R HN 0.227 nan 8.270 nan 0.000 0.468 158 V N -1.098 118.762 119.914 -0.091 0.000 3.556 158 V HA 0.307 4.426 4.120 -0.001 0.000 0.292 158 V C 0.634 176.664 176.094 -0.106 0.000 1.030 158 V CA -1.112 61.139 62.300 -0.082 0.000 1.009 158 V CB 1.382 33.166 31.823 -0.065 0.000 1.242 158 V HN 0.158 nan 8.190 nan 0.000 0.431 159 S N 0.148 115.804 115.700 -0.074 0.000 2.603 159 S HA 0.201 4.670 4.470 -0.001 0.000 0.268 159 S C 1.187 175.741 174.600 -0.077 0.000 1.317 159 S CA 0.105 58.267 58.200 -0.064 0.000 1.012 159 S CB 0.884 64.064 63.200 -0.032 0.000 0.926 159 S HN 1.104 nan 8.310 nan 0.000 0.539 160 S N 2.027 117.693 115.700 -0.056 0.000 2.374 160 S HA -0.174 4.295 4.470 -0.001 0.000 0.227 160 S C 2.158 176.760 174.600 0.002 0.000 1.037 160 S CA 1.154 59.332 58.200 -0.036 0.000 1.024 160 S CB -1.298 61.895 63.200 -0.012 0.000 0.861 160 S HN 1.012 nan 8.310 nan 0.000 0.456 161 A N 1.525 124.351 122.820 0.009 0.000 1.877 161 A HA -0.022 4.297 4.320 -0.001 0.000 0.216 161 A C 2.416 180.033 177.584 0.054 0.000 1.186 161 A CA 1.773 53.830 52.037 0.033 0.000 0.620 161 A CB -1.019 17.996 19.000 0.024 0.000 0.822 161 A HN 0.388 nan 8.150 nan 0.000 0.443 162 V N 0.189 120.123 119.914 0.032 0.000 2.548 162 V HA -0.226 3.894 4.120 -0.001 0.000 0.249 162 V C 2.346 178.500 176.094 0.100 0.000 1.055 162 V CA 2.020 64.353 62.300 0.055 0.000 1.065 162 V CB -0.734 31.099 31.823 0.017 0.000 0.681 162 V HN 0.494 nan 8.190 nan 0.000 0.462 163 K N 0.675 121.095 120.400 0.033 0.000 2.001 163 K HA -0.228 4.091 4.320 -0.001 0.000 0.214 163 K C 2.412 179.227 176.600 0.358 0.000 1.050 163 K CA 1.716 58.054 56.287 0.085 0.000 0.934 163 K CB -0.605 31.761 32.500 -0.223 0.000 0.718 163 K HN 0.455 nan 8.250 nan 0.000 0.443 164 A N 1.918 124.879 122.820 0.235 0.000 1.881 164 A HA -0.307 4.012 4.320 -0.001 0.000 0.219 164 A C 2.041 179.789 177.584 0.273 0.000 1.215 164 A CA 2.105 54.280 52.037 0.230 0.000 0.648 164 A CB -0.773 18.315 19.000 0.147 0.000 0.832 164 A HN 0.389 nan 8.150 nan 0.000 0.455 165 E N -0.600 119.755 120.200 0.258 0.000 2.065 165 E HA -0.241 4.109 4.350 -0.001 0.000 0.201 165 E C 2.048 178.948 176.600 0.501 0.000 1.016 165 E CA 1.553 58.160 56.400 0.346 0.000 0.818 165 E CB -0.385 29.487 29.700 0.287 0.000 0.749 165 E HN 0.650 nan 8.360 nan 0.000 0.453 166 L N 0.424 121.910 121.223 0.438 0.000 2.043 166 L HA -0.245 4.095 4.340 -0.001 0.000 0.212 166 L C 2.670 179.870 176.870 0.549 0.000 1.075 166 L CA 1.322 56.489 54.840 0.546 0.000 0.752 166 L CB -0.371 42.043 42.059 0.591 0.000 0.891 166 L HN 0.098 nan 8.230 nan 0.000 0.432 167 R N -0.682 120.121 120.500 0.506 0.000 2.081 167 R HA -0.220 4.120 4.340 -0.001 0.000 0.235 167 R C 2.302 178.784 176.300 0.302 0.000 1.131 167 R CA 1.484 57.837 56.100 0.421 0.000 0.960 167 R CB -0.328 30.168 30.300 0.326 0.000 0.856 167 R HN 0.275 nan 8.270 nan 0.000 0.436 168 Q N 0.220 120.183 119.800 0.272 0.000 2.030 168 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 168 Q C 1.668 177.721 176.000 0.088 0.000 0.986 168 Q CA 1.845 57.727 55.803 0.133 0.000 0.843 168 Q CB -0.392 28.376 28.738 0.051 0.000 0.904 168 Q HN 0.366 nan 8.270 nan 0.000 0.420 169 Y N -1.046 119.323 120.300 0.116 0.000 2.224 169 Y HA -0.177 4.373 4.550 -0.001 0.000 0.289 169 Y C 1.975 177.807 175.900 -0.113 0.000 1.146 169 Y CA 1.247 59.403 58.100 0.093 0.000 1.182 169 Y CB -0.589 38.048 38.460 0.294 0.000 0.983 169 Y HN 0.190 nan 8.280 nan 0.000 0.524 170 F N 0.674 120.451 119.950 -0.287 0.000 2.161 170 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 170 F C 2.310 177.967 175.800 -0.239 0.000 1.089 170 F CA 1.370 58.967 58.000 -0.671 0.000 1.282 170 F CB -0.249 38.184 39.000 -0.944 0.000 1.010 170 F HN -0.121 nan 8.300 nan 0.000 0.485 171 R N 0.082 120.554 120.500 -0.046 0.000 2.075 171 R HA -0.183 4.157 4.340 -0.001 0.000 0.230 171 R C 1.954 178.177 176.300 -0.128 0.000 1.140 171 R CA 1.607 57.678 56.100 -0.048 0.000 0.928 171 R CB -0.849 29.463 30.300 0.019 0.000 0.834 171 R HN 0.269 nan 8.270 nan 0.000 0.429 172 N N 1.064 119.702 118.700 -0.103 0.000 2.182 172 N HA -0.215 4.525 4.740 -0.001 0.000 0.192 172 N C 1.825 177.262 175.510 -0.123 0.000 1.007 172 N CA 1.252 54.242 53.050 -0.101 0.000 0.873 172 N CB -0.342 38.084 38.487 -0.103 0.000 0.998 172 N HN 0.256 nan 8.380 nan 0.000 0.436 173 L N -0.182 120.920 121.223 -0.202 0.000 2.156 173 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 173 L C 2.190 178.896 176.870 -0.274 0.000 1.095 173 L CA 0.644 55.334 54.840 -0.251 0.000 0.770 173 L CB -0.152 41.661 42.059 -0.409 0.000 0.914 173 L HN 0.228 nan 8.230 nan 0.000 0.439 174 C N -0.792 118.320 119.300 -0.312 0.000 2.466 174 C HA -0.089 4.371 4.460 -0.001 0.000 0.278 174 C C 2.685 177.603 174.990 -0.120 0.000 1.288 174 C CA 1.007 59.898 59.018 -0.212 0.000 1.722 174 C CB -0.713 26.937 27.740 -0.150 0.000 2.017 174 C HN 0.623 nan 8.230 nan 0.000 0.488 175 S N 0.194 115.833 115.700 -0.101 0.000 2.743 175 S HA 0.065 4.535 4.470 -0.001 0.000 0.230 175 S C -0.252 174.309 174.600 -0.064 0.000 0.950 175 S CA -0.130 58.028 58.200 -0.070 0.000 0.976 175 S CB -0.733 62.433 63.200 -0.056 0.000 0.779 175 S HN 0.626 nan 8.310 nan 0.000 0.487 176 D N 1.605 121.962 120.400 -0.072 0.000 2.400 176 D HA 0.057 4.697 4.640 -0.001 0.000 0.238 176 D C 0.579 176.851 176.300 -0.046 0.000 1.157 176 D CA 0.112 54.080 54.000 -0.053 0.000 0.889 176 D CB 0.632 41.402 40.800 -0.050 0.000 1.199 176 D HN 0.101 nan 8.370 nan 0.000 0.436 177 D N 1.223 121.602 120.400 -0.034 0.000 2.363 177 D HA -0.031 4.608 4.640 -0.001 0.000 0.226 177 D C -0.046 176.225 176.300 -0.047 0.000 1.020 177 D CA 0.718 54.696 54.000 -0.036 0.000 0.892 177 D CB -0.010 40.776 40.800 -0.024 0.000 0.900 177 D HN 0.273 nan 8.370 nan 0.000 0.531 178 T N 0.869 115.390 114.554 -0.056 0.000 2.771 178 T HA 0.237 4.587 4.350 -0.001 0.000 0.281 178 T C -1.867 172.772 174.700 -0.101 0.000 0.982 178 T CA -1.730 60.317 62.100 -0.088 0.000 0.978 178 T CB 2.376 71.179 68.868 -0.107 0.000 0.930 178 T HN -0.271 nan 8.240 nan 0.000 0.447 179 P HA -0.147 nan 4.420 nan 0.000 0.216 179 P C 1.820 179.057 177.300 -0.105 0.000 1.157 179 P CA 1.238 64.278 63.100 -0.099 0.000 0.880 179 P CB 0.057 31.697 31.700 -0.101 0.000 0.791 180 M N -1.088 118.418 119.600 -0.156 0.000 2.080 180 M HA -0.159 4.320 4.480 -0.001 0.000 0.260 180 M C 1.840 178.099 176.300 -0.069 0.000 1.068 180 M CA 1.829 57.043 55.300 -0.144 0.000 1.109 180 M CB -0.785 31.638 32.600 -0.295 0.000 1.342 180 M HN -0.201 nan 8.290 nan 0.000 0.405 181 V N -0.032 119.844 119.914 -0.063 0.000 2.720 181 V HA -0.250 3.870 4.120 -0.001 0.000 0.256 181 V C 2.163 178.229 176.094 -0.047 0.000 1.082 181 V CA 1.550 63.845 62.300 -0.009 0.000 1.101 181 V CB -0.909 30.919 31.823 0.008 0.000 0.693 181 V HN 0.445 nan 8.190 nan 0.000 0.479 182 R N -0.386 120.077 120.500 -0.060 0.000 2.112 182 R HA 0.076 4.415 4.340 -0.001 0.000 0.216 182 R C 2.566 178.841 176.300 -0.042 0.000 1.080 182 R CA 0.526 56.586 56.100 -0.066 0.000 0.996 182 R CB -0.208 30.053 30.300 -0.065 0.000 0.902 182 R HN 0.450 nan 8.270 nan 0.000 0.449 183 R N 0.787 121.268 120.500 -0.031 0.000 2.073 183 R HA -0.080 4.259 4.340 -0.001 0.000 0.234 183 R C 2.353 178.663 176.300 0.017 0.000 1.134 183 R CA 1.484 57.580 56.100 -0.008 0.000 0.952 183 R CB -0.476 29.816 30.300 -0.013 0.000 0.850 183 R HN 0.160 nan 8.270 nan 0.000 0.433 184 A N 1.627 124.458 122.820 0.017 0.000 1.859 184 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 184 A C 2.459 180.071 177.584 0.046 0.000 1.198 184 A CA 2.083 54.147 52.037 0.046 0.000 0.629 184 A CB -0.906 18.128 19.000 0.057 0.000 0.830 184 A HN 0.425 nan 8.150 nan 0.000 0.446 185 A N -0.405 122.396 122.820 -0.031 0.000 1.940 185 A HA 0.089 4.408 4.320 -0.001 0.000 0.219 185 A C 2.519 180.144 177.584 0.068 0.000 1.176 185 A CA 2.453 54.418 52.037 -0.119 0.000 0.631 185 A CB -1.084 17.696 19.000 -0.367 0.000 0.814 185 A HN 1.185 nan 8.150 nan 0.000 0.446 186 A N 0.307 123.163 122.820 0.059 0.000 1.877 186 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 186 A C 2.374 180.048 177.584 0.149 0.000 1.186 186 A CA 2.270 54.377 52.037 0.117 0.000 0.620 186 A CB -1.032 18.012 19.000 0.074 0.000 0.822 186 A HN 1.128 nan 8.150 nan 0.000 0.443 187 S N -1.709 114.063 115.700 0.120 0.000 2.660 187 S HA 0.095 4.564 4.470 -0.001 0.000 0.228 187 S C 1.103 175.789 174.600 0.143 0.000 0.966 187 S CA 0.757 59.027 58.200 0.116 0.000 0.940 187 S CB 0.070 63.324 63.200 0.089 0.000 0.773 187 S HN 0.404 nan 8.310 nan 0.000 0.535 188 K N 0.072 120.598 120.400 0.209 0.000 2.438 188 K HA 0.345 4.665 4.320 -0.001 0.000 0.206 188 K C 1.191 177.958 176.600 0.280 0.000 1.081 188 K CA -0.080 56.353 56.287 0.243 0.000 1.053 188 K CB 0.043 32.727 32.500 0.307 0.000 0.908 188 K HN 0.349 nan 8.250 nan 0.000 0.556 189 L N 1.101 122.521 121.223 0.327 0.000 2.083 189 L HA -0.016 4.323 4.340 -0.001 0.000 0.209 189 L C 1.807 178.731 176.870 0.091 0.000 1.083 189 L CA 2.173 57.191 54.840 0.297 0.000 0.752 189 L CB -0.805 41.451 42.059 0.328 0.000 0.899 189 L HN 0.180 nan 8.230 nan 0.000 0.433 190 G N -0.975 107.866 108.800 0.068 0.000 2.433 190 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.216 190 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.216 190 G C 1.435 176.325 174.900 -0.017 0.000 1.186 190 G CA 0.709 45.806 45.100 -0.004 0.000 0.779 190 G HN 0.573 nan 8.290 nan 0.000 0.543 191 E N -0.507 119.711 120.200 0.031 0.000 2.049 191 E HA -0.228 4.121 4.350 -0.001 0.000 0.198 191 E C 2.154 178.771 176.600 0.029 0.000 1.007 191 E CA 1.215 57.640 56.400 0.041 0.000 0.809 191 E CB -0.366 29.384 29.700 0.084 0.000 0.749 191 E HN 0.310 nan 8.360 nan 0.000 0.450 192 F N 1.366 121.189 119.950 -0.213 0.000 2.134 192 F HA -0.073 4.453 4.527 -0.001 0.000 0.299 192 F C 2.168 177.765 175.800 -0.339 0.000 1.097 192 F CA 1.415 59.188 58.000 -0.379 0.000 1.264 192 F CB -0.886 37.590 39.000 -0.874 0.000 1.001 192 F HN 0.127 nan 8.300 nan 0.000 0.479 193 A N 0.117 122.707 122.820 -0.384 0.000 1.940 193 A HA -0.253 4.067 4.320 -0.001 0.000 0.219 193 A C 2.134 179.532 177.584 -0.310 0.000 1.176 193 A CA 1.918 53.708 52.037 -0.412 0.000 0.631 193 A CB -0.794 18.060 19.000 -0.245 0.000 0.814 193 A HN 0.341 nan 8.150 nan 0.000 0.446 194 K N 0.491 120.775 120.400 -0.194 0.000 2.280 194 K HA -0.077 4.242 4.320 -0.001 0.000 0.202 194 K C 1.149 177.685 176.600 -0.106 0.000 1.047 194 K CA 1.711 57.925 56.287 -0.121 0.000 0.942 194 K CB -0.543 31.920 32.500 -0.062 0.000 0.739 194 K HN 0.604 nan 8.250 nan 0.000 0.457 195 V N -1.242 118.585 119.914 -0.145 0.000 3.271 195 V HA 0.408 4.528 4.120 -0.001 0.000 0.327 195 V C 0.033 176.082 176.094 -0.075 0.000 1.389 195 V CA -0.604 61.668 62.300 -0.046 0.000 1.156 195 V CB -0.579 31.297 31.823 0.088 0.000 1.103 195 V HN 0.005 nan 8.190 nan 0.000 0.453 196 L N 0.455 121.523 121.223 -0.258 0.000 2.334 196 L HA 0.668 5.007 4.340 -0.001 0.000 0.270 196 L C 0.119 176.944 176.870 -0.076 0.000 1.018 196 L CA -0.926 53.773 54.840 -0.234 0.000 0.811 196 L CB 1.631 43.362 42.059 -0.546 0.000 1.271 196 L HN 0.115 nan 8.230 nan 0.000 0.443 197 E N 0.555 120.763 120.200 0.013 0.000 2.398 197 E HA 0.003 4.353 4.350 -0.001 0.000 0.263 197 E C 0.586 177.163 176.600 -0.038 0.000 1.046 197 E CA -0.380 56.023 56.400 0.005 0.000 0.908 197 E CB 0.620 30.342 29.700 0.036 0.000 0.963 197 E HN 0.333 nan 8.360 nan 0.000 0.431 198 L N 2.666 123.868 121.223 -0.034 0.000 1.997 198 L HA -0.303 4.037 4.340 -0.001 0.000 0.216 198 L C 1.191 178.037 176.870 -0.039 0.000 1.074 198 L CA 2.066 56.880 54.840 -0.043 0.000 0.763 198 L CB -0.532 41.508 42.059 -0.032 0.000 0.890 198 L HN 0.619 nan 8.230 nan 0.000 0.434 199 D N -0.460 119.927 120.400 -0.021 0.000 2.127 199 D HA -0.244 4.396 4.640 -0.001 0.000 0.190 199 D C 1.786 178.074 176.300 -0.020 0.000 1.000 199 D CA 1.798 55.790 54.000 -0.013 0.000 0.839 199 D CB -0.626 40.175 40.800 0.000 0.000 0.955 199 D HN 0.440 nan 8.370 nan 0.000 0.446 200 N N 0.461 119.147 118.700 -0.024 0.000 2.364 200 N HA -0.090 4.650 4.740 -0.001 0.000 0.183 200 N C 1.984 177.442 175.510 -0.085 0.000 1.022 200 N CA 0.238 53.264 53.050 -0.040 0.000 0.883 200 N CB -0.081 38.386 38.487 -0.034 0.000 0.965 200 N HN 0.117 nan 8.380 nan 0.000 0.438 201 V N 1.252 121.105 119.914 -0.102 0.000 2.379 201 V HA -0.175 3.945 4.120 -0.001 0.000 0.245 201 V C 2.214 178.267 176.094 -0.068 0.000 1.044 201 V CA 1.477 63.704 62.300 -0.122 0.000 1.036 201 V CB -0.244 31.503 31.823 -0.127 0.000 0.664 201 V HN 0.210 nan 8.190 nan 0.000 0.453 202 K N 0.706 121.079 120.400 -0.045 0.000 2.001 202 K HA -0.142 4.177 4.320 -0.001 0.000 0.208 202 K C 2.404 179.003 176.600 -0.003 0.000 1.048 202 K CA 1.849 58.124 56.287 -0.020 0.000 0.932 202 K CB -0.372 32.119 32.500 -0.016 0.000 0.715 202 K HN 0.591 nan 8.250 nan 0.000 0.437 203 S N 0.045 115.743 115.700 -0.003 0.000 2.436 203 S HA -0.037 4.433 4.470 -0.001 0.000 0.228 203 S C 1.740 176.351 174.600 0.017 0.000 1.014 203 S CA 0.973 59.178 58.200 0.010 0.000 0.950 203 S CB 0.107 63.314 63.200 0.011 0.000 0.784 203 S HN 0.186 nan 8.310 nan 0.000 0.504 204 E N 0.196 120.400 120.200 0.007 0.000 2.306 204 E HA 0.346 4.696 4.350 -0.001 0.000 0.201 204 E C 1.875 178.495 176.600 0.032 0.000 0.874 204 E CA 0.147 56.560 56.400 0.023 0.000 0.972 204 E CB 0.006 29.717 29.700 0.018 0.000 0.957 204 E HN 0.276 nan 8.360 nan 0.000 0.492 205 I N 1.293 121.856 120.570 -0.012 0.000 2.202 205 I HA -0.202 3.967 4.170 -0.001 0.000 0.242 205 I C 2.049 178.219 176.117 0.089 0.000 1.091 205 I CA 0.935 62.239 61.300 0.007 0.000 1.368 205 I CB -0.757 37.185 38.000 -0.096 0.000 1.058 205 I HN 0.187 nan 8.210 nan 0.000 0.410 206 I N 1.370 121.984 120.570 0.072 0.000 2.113 206 I HA -0.233 3.937 4.170 -0.001 0.000 0.242 206 I C 0.022 176.246 176.117 0.178 0.000 1.064 206 I CA 2.268 63.658 61.300 0.149 0.000 1.320 206 I CB -2.692 35.362 38.000 0.090 0.000 1.028 206 I HN 0.116 nan 8.210 nan 0.000 0.406 207 P HA -0.132 nan 4.420 nan 0.000 0.215 207 P C 2.214 179.558 177.300 0.074 0.000 1.153 207 P CA 1.499 64.641 63.100 0.069 0.000 0.853 207 P CB -0.075 31.654 31.700 0.048 0.000 0.788 208 M N -2.594 117.071 119.600 0.108 0.000 2.108 208 M HA -0.179 4.300 4.480 -0.001 0.000 0.261 208 M C 2.067 178.451 176.300 0.139 0.000 1.066 208 M CA 1.806 57.177 55.300 0.118 0.000 1.107 208 M CB -0.947 31.759 32.600 0.177 0.000 1.356 208 M HN -0.071 nan 8.290 nan 0.000 0.406 209 F N 1.160 121.132 119.950 0.036 0.000 2.051 209 F HA -0.198 4.328 4.527 -0.001 0.000 0.296 209 F C 2.479 178.289 175.800 0.015 0.000 1.122 209 F CA 1.969 59.986 58.000 0.028 0.000 1.201 209 F CB -0.822 38.188 39.000 0.018 0.000 0.978 209 F HN 0.008 nan 8.300 nan 0.000 0.472 210 S N 0.849 116.391 115.700 -0.264 0.000 2.380 210 S HA -0.274 4.195 4.470 -0.001 0.000 0.229 210 S C 1.959 176.402 174.600 -0.261 0.000 1.043 210 S CA 1.493 59.481 58.200 -0.352 0.000 1.038 210 S CB -0.736 62.398 63.200 -0.111 0.000 0.872 210 S HN 0.510 nan 8.310 nan 0.000 0.456 211 N N 1.164 119.780 118.700 -0.140 0.000 2.084 211 N HA -0.014 4.725 4.740 -0.001 0.000 0.190 211 N C 1.700 177.141 175.510 -0.115 0.000 1.030 211 N CA 1.108 54.099 53.050 -0.098 0.000 0.849 211 N CB -0.338 38.120 38.487 -0.049 0.000 1.012 211 N HN 0.345 nan 8.380 nan 0.000 0.423 212 L N 0.674 121.829 121.223 -0.114 0.000 2.141 212 L HA -0.082 4.258 4.340 -0.001 0.000 0.209 212 L C 2.349 179.134 176.870 -0.141 0.000 1.094 212 L CA 0.872 55.657 54.840 -0.091 0.000 0.763 212 L CB -0.289 41.759 42.059 -0.019 0.000 0.908 212 L HN 0.117 nan 8.230 nan 0.000 0.437 213 A N -0.677 121.977 122.820 -0.278 0.000 2.066 213 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 213 A C 1.918 179.395 177.584 -0.178 0.000 1.157 213 A CA 1.297 53.162 52.037 -0.287 0.000 0.670 213 A CB -0.290 18.380 19.000 -0.551 0.000 0.804 213 A HN 0.434 nan 8.150 nan 0.000 0.453 214 S N -0.305 115.300 115.700 -0.158 0.000 2.484 214 S HA 0.322 4.791 4.470 -0.001 0.000 0.242 214 S C -0.534 174.017 174.600 -0.082 0.000 1.158 214 S CA -0.430 57.707 58.200 -0.105 0.000 1.162 214 S CB -0.462 62.679 63.200 -0.099 0.000 0.850 214 S HN 0.346 nan 8.310 nan 0.000 0.477 215 D N 1.534 121.887 120.400 -0.079 0.000 2.304 215 D HA 0.132 4.772 4.640 -0.001 0.000 0.247 215 D C 1.164 177.430 176.300 -0.055 0.000 1.089 215 D CA -0.310 53.652 54.000 -0.064 0.000 0.910 215 D CB 0.955 41.718 40.800 -0.062 0.000 1.199 215 D HN 0.373 nan 8.370 nan 0.000 0.426 216 E N 1.661 121.831 120.200 -0.050 0.000 2.160 216 E HA -0.244 4.106 4.350 -0.001 0.000 0.195 216 E C -0.009 176.563 176.600 -0.046 0.000 0.991 216 E CA 0.829 57.203 56.400 -0.044 0.000 0.810 216 E CB 0.237 29.913 29.700 -0.040 0.000 0.742 216 E HN 0.372 nan 8.360 nan 0.000 0.466 217 Q N 1.142 120.911 119.800 -0.052 0.000 2.331 217 Q HA 0.009 4.348 4.340 -0.001 0.000 0.257 217 Q C 0.105 176.069 176.000 -0.061 0.000 0.957 217 Q CA -0.030 55.739 55.803 -0.056 0.000 0.923 217 Q CB 1.559 30.262 28.738 -0.059 0.000 1.212 217 Q HN 0.252 nan 8.270 nan 0.000 0.443 218 D N 1.019 121.379 120.400 -0.068 0.000 2.218 218 D HA -0.193 4.447 4.640 -0.001 0.000 0.204 218 D C 1.037 177.285 176.300 -0.087 0.000 0.976 218 D CA 1.451 55.402 54.000 -0.081 0.000 0.853 218 D CB -0.029 40.709 40.800 -0.102 0.000 0.939 218 D HN 0.489 nan 8.370 nan 0.000 0.481 219 S N 0.147 115.797 115.700 -0.083 0.000 2.419 219 S HA -0.128 4.342 4.470 -0.001 0.000 0.235 219 S C 2.163 176.730 174.600 -0.055 0.000 1.019 219 S CA 1.117 59.271 58.200 -0.077 0.000 0.982 219 S CB -0.686 62.471 63.200 -0.071 0.000 0.789 219 S HN 0.207 nan 8.310 nan 0.000 0.490 220 V N 2.007 121.891 119.914 -0.051 0.000 2.446 220 V HA 0.002 4.122 4.120 -0.001 0.000 0.244 220 V C 2.902 178.980 176.094 -0.028 0.000 1.039 220 V CA 1.376 63.654 62.300 -0.036 0.000 1.045 220 V CB -0.672 31.126 31.823 -0.043 0.000 0.681 220 V HN 0.421 nan 8.190 nan 0.000 0.459 221 R N 0.681 121.156 120.500 -0.042 0.000 2.083 221 R HA -0.188 4.152 4.340 -0.001 0.000 0.237 221 R C 2.284 178.575 176.300 -0.015 0.000 1.137 221 R CA 1.919 57.996 56.100 -0.039 0.000 0.951 221 R CB -0.865 29.403 30.300 -0.054 0.000 0.851 221 R HN 0.566 nan 8.270 nan 0.000 0.434 222 L N -0.466 120.741 121.223 -0.026 0.000 2.349 222 L HA -0.092 4.248 4.340 -0.001 0.000 0.220 222 L C 1.747 178.635 176.870 0.030 0.000 1.130 222 L CA 1.639 56.476 54.840 -0.005 0.000 0.791 222 L CB -0.650 41.385 42.059 -0.040 0.000 0.918 222 L HN 0.069 nan 8.230 nan 0.000 0.444 223 L N -0.274 120.966 121.223 0.029 0.000 2.591 223 L HA 0.224 4.564 4.340 -0.001 0.000 0.228 223 L C 2.394 179.320 176.870 0.093 0.000 1.133 223 L CA 0.483 55.356 54.840 0.055 0.000 0.880 223 L CB -0.384 41.701 42.059 0.043 0.000 1.033 223 L HN 0.423 nan 8.230 nan 0.000 0.450 224 A N -0.780 122.103 122.820 0.105 0.000 2.195 224 A HA 0.059 4.378 4.320 -0.001 0.000 0.210 224 A C 2.092 179.839 177.584 0.272 0.000 1.165 224 A CA 0.265 52.426 52.037 0.207 0.000 0.806 224 A CB -0.059 19.014 19.000 0.122 0.000 0.847 224 A HN 0.141 nan 8.150 nan 0.000 0.482 225 V N 0.249 120.259 119.914 0.161 0.000 2.358 225 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 225 V C 2.549 178.706 176.094 0.104 0.000 1.047 225 V CA 2.335 64.720 62.300 0.141 0.000 1.035 225 V CB -0.531 31.352 31.823 0.101 0.000 0.658 225 V HN 0.750 nan 8.190 nan 0.000 0.452 226 E N 1.079 121.332 120.200 0.089 0.000 2.110 226 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 226 E C 2.045 178.668 176.600 0.039 0.000 0.988 226 E CA 1.678 58.114 56.400 0.059 0.000 0.804 226 E CB -0.406 29.332 29.700 0.064 0.000 0.745 226 E HN 0.514 nan 8.360 nan 0.000 0.458 227 A N 0.131 122.994 122.820 0.072 0.000 1.930 227 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 227 A C 2.598 180.081 177.584 -0.168 0.000 1.175 227 A CA 1.257 53.303 52.037 0.015 0.000 0.627 227 A CB -1.292 17.792 19.000 0.140 0.000 0.815 227 A HN 0.559 nan 8.150 nan 0.000 0.443 228 C N -0.747 118.474 119.300 -0.132 0.000 2.413 228 C HA -0.101 4.359 4.460 -0.001 0.000 0.276 228 C C 2.669 177.533 174.990 -0.210 0.000 1.248 228 C CA 1.426 60.256 59.018 -0.314 0.000 1.742 228 C CB -1.436 26.322 27.740 0.030 0.000 2.017 228 C HN 0.426 nan 8.230 nan 0.000 0.481 229 V N 1.499 121.352 119.914 -0.102 0.000 2.231 229 V HA -0.287 3.833 4.120 -0.001 0.000 0.248 229 V C 2.164 178.194 176.094 -0.106 0.000 1.054 229 V CA 2.793 65.042 62.300 -0.085 0.000 1.015 229 V CB -1.093 30.704 31.823 -0.043 0.000 0.638 229 V HN 0.631 nan 8.190 nan 0.000 0.444 230 N N -0.122 118.517 118.700 -0.102 0.000 2.043 230 N HA -0.163 4.577 4.740 -0.001 0.000 0.193 230 N C 1.824 177.245 175.510 -0.148 0.000 1.037 230 N CA 1.680 54.668 53.050 -0.103 0.000 0.851 230 N CB -0.271 38.170 38.487 -0.077 0.000 1.027 230 N HN 0.412 nan 8.380 nan 0.000 0.422 231 I N 1.113 121.547 120.570 -0.228 0.000 2.226 231 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 231 I C 2.421 178.410 176.117 -0.214 0.000 1.100 231 I CA 0.761 61.902 61.300 -0.265 0.000 1.374 231 I CB -0.367 37.362 38.000 -0.452 0.000 1.057 231 I HN 0.161 nan 8.210 nan 0.000 0.413 232 A N -0.028 122.664 122.820 -0.213 0.000 2.076 232 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 232 A C 2.249 179.770 177.584 -0.105 0.000 1.160 232 A CA 1.608 53.557 52.037 -0.146 0.000 0.653 232 A CB -0.489 18.434 19.000 -0.127 0.000 0.801 232 A HN 0.506 nan 8.150 nan 0.000 0.455 233 Q N -0.731 119.008 119.800 -0.101 0.000 2.096 233 Q HA 0.060 4.399 4.340 -0.001 0.000 0.197 233 Q C 1.822 177.778 176.000 -0.073 0.000 0.964 233 Q CA 1.071 56.828 55.803 -0.077 0.000 0.838 233 Q CB -0.215 28.482 28.738 -0.068 0.000 0.906 233 Q HN 0.693 nan 8.270 nan 0.000 0.444 234 L N 0.576 121.747 121.223 -0.086 0.000 2.353 234 L HA -0.070 4.269 4.340 -0.001 0.000 0.220 234 L C 0.514 177.341 176.870 -0.072 0.000 1.133 234 L CA 0.454 55.246 54.840 -0.080 0.000 0.798 234 L CB -0.329 41.670 42.059 -0.099 0.000 0.922 234 L HN 0.102 nan 8.230 nan 0.000 0.445 235 L N 0.740 121.919 121.223 -0.074 0.000 2.325 235 L HA 0.389 4.729 4.340 -0.001 0.000 0.279 235 L C -1.995 174.847 176.870 -0.047 0.000 1.054 235 L CA -2.097 52.708 54.840 -0.060 0.000 0.804 235 L CB 0.771 42.792 42.059 -0.063 0.000 1.200 235 L HN -0.195 nan 8.230 nan 0.000 0.436 236 P HA -0.011 nan 4.420 nan 0.000 0.271 236 P C 0.070 177.354 177.300 -0.028 0.000 1.216 236 P CA -0.347 62.735 63.100 -0.030 0.000 0.776 236 P CB 1.079 32.764 31.700 -0.025 0.000 0.881 237 Q N 2.356 122.140 119.800 -0.027 0.000 2.182 237 Q HA -0.259 4.080 4.340 -0.001 0.000 0.213 237 Q C 1.399 177.388 176.000 -0.018 0.000 1.000 237 Q CA 2.487 58.276 55.803 -0.024 0.000 0.889 237 Q CB -0.170 28.554 28.738 -0.022 0.000 0.932 237 Q HN 0.542 nan 8.270 nan 0.000 0.415 238 E N 0.249 120.440 120.200 -0.015 0.000 2.106 238 E HA -0.139 4.210 4.350 -0.001 0.000 0.192 238 E C 1.612 178.208 176.600 -0.008 0.000 0.984 238 E CA 1.318 57.712 56.400 -0.010 0.000 0.806 238 E CB -0.202 29.492 29.700 -0.009 0.000 0.750 238 E HN 0.360 nan 8.360 nan 0.000 0.458 239 D N 0.463 120.856 120.400 -0.011 0.000 2.264 239 D HA -0.074 4.565 4.640 -0.001 0.000 0.208 239 D C 1.754 178.050 176.300 -0.006 0.000 0.966 239 D CA 0.489 54.484 54.000 -0.009 0.000 0.864 239 D CB -0.071 40.720 40.800 -0.014 0.000 0.933 239 D HN 0.161 nan 8.370 nan 0.000 0.499 240 L N 0.440 121.657 121.223 -0.011 0.000 2.012 240 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 240 L C 2.401 179.275 176.870 0.007 0.000 1.073 240 L CA 1.264 56.099 54.840 -0.008 0.000 0.748 240 L CB -0.381 41.668 42.059 -0.018 0.000 0.891 240 L HN 0.006 nan 8.230 nan 0.000 0.431 241 E N 0.356 120.560 120.200 0.007 0.000 2.153 241 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 241 E C 1.947 178.559 176.600 0.020 0.000 0.988 241 E CA 1.534 57.942 56.400 0.014 0.000 0.811 241 E CB 0.013 29.719 29.700 0.011 0.000 0.746 241 E HN 0.401 nan 8.360 nan 0.000 0.466 242 A N -0.304 122.526 122.820 0.017 0.000 1.878 242 A HA 0.065 4.385 4.320 -0.001 0.000 0.213 242 A C 2.035 179.637 177.584 0.030 0.000 1.192 242 A CA 1.062 53.111 52.037 0.020 0.000 0.619 242 A CB -0.232 18.777 19.000 0.014 0.000 0.837 242 A HN 0.287 nan 8.150 nan 0.000 0.446 243 L N -1.323 119.920 121.223 0.033 0.000 2.590 243 L HA 0.163 4.502 4.340 -0.001 0.000 0.227 243 L C 1.374 178.301 176.870 0.095 0.000 1.099 243 L CA 0.015 54.887 54.840 0.054 0.000 0.872 243 L CB 0.559 42.640 42.059 0.037 0.000 1.088 243 L HN 0.189 nan 8.230 nan 0.000 0.479 244 V N -2.231 117.732 119.914 0.081 0.000 3.279 244 V HA 0.034 4.154 4.120 -0.001 0.000 0.213 244 V C 2.051 178.216 176.094 0.118 0.000 1.335 244 V CA 0.046 62.423 62.300 0.128 0.000 1.317 244 V CB 0.161 32.010 31.823 0.044 0.000 1.209 244 V HN 0.067 nan 8.190 nan 0.000 0.525 245 M N 0.492 120.130 119.600 0.064 0.000 2.116 245 M HA -0.169 4.311 4.480 -0.001 0.000 0.255 245 M C -0.166 176.169 176.300 0.059 0.000 1.075 245 M CA 2.327 57.659 55.300 0.053 0.000 1.087 245 M CB -2.537 30.083 32.600 0.033 0.000 1.340 245 M HN 0.252 nan 8.290 nan 0.000 0.402 246 P HA -0.094 nan 4.420 nan 0.000 0.215 246 P C 1.556 178.881 177.300 0.042 0.000 1.157 246 P CA 1.584 64.709 63.100 0.041 0.000 0.868 246 P CB -0.275 31.445 31.700 0.032 0.000 0.788 247 T N 0.137 114.725 114.554 0.057 0.000 2.708 247 T HA -0.159 4.190 4.350 -0.001 0.000 0.266 247 T C 1.661 176.400 174.700 0.065 0.000 1.037 247 T CA 1.153 63.273 62.100 0.033 0.000 1.146 247 T CB -0.975 67.915 68.868 0.037 0.000 0.865 247 T HN 0.017 nan 8.240 nan 0.000 0.435 248 L N 1.095 122.388 121.223 0.117 0.000 2.141 248 L HA 0.100 4.439 4.340 -0.001 0.000 0.209 248 L C 2.316 179.234 176.870 0.080 0.000 1.094 248 L CA 1.574 56.480 54.840 0.111 0.000 0.763 248 L CB -0.526 41.590 42.059 0.096 0.000 0.908 248 L HN 0.036 nan 8.230 nan 0.000 0.437 249 R N -1.042 119.498 120.500 0.067 0.000 2.115 249 R HA -0.127 4.212 4.340 -0.001 0.000 0.226 249 R C 2.203 178.536 176.300 0.055 0.000 1.100 249 R CA 1.049 57.188 56.100 0.065 0.000 0.980 249 R CB -0.171 30.162 30.300 0.055 0.000 0.875 249 R HN 0.395 nan 8.270 nan 0.000 0.445 250 Q N 0.773 120.597 119.800 0.040 0.000 2.123 250 Q HA -0.017 4.322 4.340 -0.001 0.000 0.199 250 Q C 1.828 177.845 176.000 0.027 0.000 0.966 250 Q CA 1.874 57.691 55.803 0.024 0.000 0.845 250 Q CB -0.195 28.545 28.738 0.002 0.000 0.907 250 Q HN 0.279 nan 8.270 nan 0.000 0.439 251 A N 0.434 123.275 122.820 0.035 0.000 1.877 251 A HA -0.054 4.266 4.320 -0.001 0.000 0.216 251 A C 2.238 179.860 177.584 0.063 0.000 1.186 251 A CA 1.893 53.956 52.037 0.042 0.000 0.620 251 A CB -1.168 17.868 19.000 0.060 0.000 0.822 251 A HN 0.495 nan 8.150 nan 0.000 0.443 252 A N -1.193 121.677 122.820 0.084 0.000 2.178 252 A HA -0.061 4.259 4.320 -0.001 0.000 0.218 252 A C 1.736 179.365 177.584 0.074 0.000 1.157 252 A CA 1.617 53.714 52.037 0.100 0.000 0.689 252 A CB -0.320 18.761 19.000 0.136 0.000 0.787 252 A HN 0.638 nan 8.150 nan 0.000 0.465 253 E N -0.477 119.758 120.200 0.058 0.000 2.526 253 E HA 0.028 4.378 4.350 -0.001 0.000 0.208 253 E C -0.282 176.343 176.600 0.040 0.000 0.997 253 E CA -0.418 56.010 56.400 0.046 0.000 0.961 253 E CB 0.219 29.942 29.700 0.038 0.000 1.030 253 E HN 0.540 nan 8.360 nan 0.000 0.483 254 D N 1.075 121.498 120.400 0.038 0.000 2.515 254 D HA -0.108 4.531 4.640 -0.001 0.000 0.232 254 D C 1.056 177.377 176.300 0.036 0.000 1.157 254 D CA 0.393 54.408 54.000 0.025 0.000 0.871 254 D CB 0.937 41.745 40.800 0.014 0.000 1.200 254 D HN -0.075 nan 8.370 nan 0.000 0.466 255 K N 1.013 121.427 120.400 0.024 0.000 2.097 255 K HA -0.107 4.213 4.320 -0.001 0.000 0.206 255 K C 0.807 177.442 176.600 0.057 0.000 1.049 255 K CA 0.410 56.719 56.287 0.037 0.000 0.933 255 K CB -0.494 32.019 32.500 0.021 0.000 0.717 255 K HN 0.264 nan 8.250 nan 0.000 0.442 256 S N 1.992 117.701 115.700 0.015 0.000 2.455 256 S HA 0.045 4.515 4.470 -0.001 0.000 0.278 256 S C 1.324 175.904 174.600 -0.033 0.000 1.216 256 S CA -0.757 57.421 58.200 -0.036 0.000 1.055 256 S CB 0.073 63.195 63.200 -0.130 0.000 0.939 256 S HN 0.386 nan 8.310 nan 0.000 0.494 257 W N 6.405 127.716 121.300 0.018 0.000 2.421 257 W HA -0.127 4.532 4.660 -0.001 0.000 0.270 257 W C 1.079 177.641 176.519 0.072 0.000 1.233 257 W CA 0.257 57.626 57.345 0.039 0.000 1.226 257 W CB -0.716 28.757 29.460 0.022 0.000 1.121 257 W HN 0.687 nan 8.180 nan 0.000 0.579 258 R N 1.051 120.966 120.500 -0.975 0.000 2.073 258 R HA -0.115 4.225 4.340 -0.001 0.000 0.234 258 R C 2.474 178.621 176.300 -0.255 0.000 1.134 258 R CA 2.117 57.677 56.100 -0.899 0.000 0.952 258 R CB -0.788 29.006 30.300 -0.843 0.000 0.850 258 R HN 0.062 nan 8.270 nan 0.000 0.433 259 V N 1.203 121.018 119.914 -0.165 0.000 2.407 259 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 259 V C 2.270 178.395 176.094 0.050 0.000 1.055 259 V CA 1.721 64.000 62.300 -0.035 0.000 1.049 259 V CB -0.504 31.300 31.823 -0.032 0.000 0.662 259 V HN 0.311 nan 8.190 nan 0.000 0.455 260 R N -1.111 119.440 120.500 0.084 0.000 2.075 260 R HA -0.184 4.156 4.340 -0.001 0.000 0.232 260 R C 2.315 178.718 176.300 0.172 0.000 1.126 260 R CA 1.865 58.044 56.100 0.132 0.000 0.963 260 R CB -0.628 29.767 30.300 0.158 0.000 0.858 260 R HN 0.587 nan 8.270 nan 0.000 0.435 261 Y N 1.416 121.770 120.300 0.090 0.000 2.114 261 Y HA -0.257 4.292 4.550 -0.000 0.000 0.282 261 Y C 2.339 178.289 175.900 0.083 0.000 1.165 261 Y CA 1.641 59.813 58.100 0.120 0.000 1.148 261 Y CB -0.082 38.450 38.460 0.121 0.000 0.972 261 Y HN -0.095 nan 8.280 nan 0.000 0.504 262 M N -0.965 118.742 119.600 0.179 0.000 2.213 262 M HA -0.176 4.304 4.480 -0.001 0.000 0.263 262 M C 2.117 178.461 176.300 0.074 0.000 1.062 262 M CA 1.005 56.366 55.300 0.100 0.000 1.105 262 M CB -1.233 31.428 32.600 0.103 0.000 1.385 262 M HN 0.235 nan 8.290 nan 0.000 0.417 263 V N 0.026 120.002 119.914 0.103 0.000 2.453 263 V HA -0.154 3.966 4.120 -0.001 0.000 0.247 263 V C 2.559 178.796 176.094 0.239 0.000 1.048 263 V CA 1.607 64.007 62.300 0.167 0.000 1.049 263 V CB -1.081 30.854 31.823 0.185 0.000 0.672 263 V HN 0.469 nan 8.190 nan 0.000 0.457 264 A N -0.207 122.668 122.820 0.092 0.000 2.014 264 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 264 A C 1.971 179.556 177.584 0.003 0.000 1.163 264 A CA 1.876 53.917 52.037 0.006 0.000 0.652 264 A CB -0.494 18.424 19.000 -0.135 0.000 0.808 264 A HN 0.601 nan 8.150 nan 0.000 0.449 265 D N -0.296 120.048 120.400 -0.093 0.000 2.103 265 D HA -0.082 4.558 4.640 -0.001 0.000 0.199 265 D C 1.279 177.608 176.300 0.049 0.000 0.978 265 D CA 1.014 54.961 54.000 -0.088 0.000 0.829 265 D CB 0.063 40.765 40.800 -0.162 0.000 0.981 265 D HN 0.123 nan 8.370 nan 0.000 0.464 266 K N 0.021 120.470 120.400 0.081 0.000 2.520 266 K HA 0.038 4.357 4.320 -0.001 0.000 0.205 266 K C 0.927 177.592 176.600 0.109 0.000 1.035 266 K CA -0.284 56.053 56.287 0.083 0.000 1.188 266 K CB -0.342 32.193 32.500 0.057 0.000 0.894 266 K HN 0.228 nan 8.250 nan 0.000 0.497 267 F N 2.747 122.694 119.950 -0.005 0.000 2.026 267 F HA -0.297 4.230 4.527 -0.001 0.000 0.296 267 F C 2.455 178.254 175.800 -0.003 0.000 1.133 267 F CA 2.497 60.485 58.000 -0.020 0.000 1.188 267 F CB -0.750 38.218 39.000 -0.055 0.000 0.968 267 F HN 0.211 nan 8.300 nan 0.000 0.476 268 T N -1.963 112.702 114.554 0.185 0.000 2.721 268 T HA -0.289 4.060 4.350 -0.001 0.000 0.268 268 T C 1.675 176.391 174.700 0.026 0.000 1.038 268 T CA 1.897 64.068 62.100 0.118 0.000 1.145 268 T CB -0.702 68.228 68.868 0.104 0.000 0.858 268 T HN 0.301 nan 8.240 nan 0.000 0.459 269 E N 1.039 121.244 120.200 0.009 0.000 2.107 269 E HA 0.135 4.485 4.350 -0.001 0.000 0.191 269 E C 2.175 178.740 176.600 -0.058 0.000 0.982 269 E CA 0.668 57.057 56.400 -0.017 0.000 0.809 269 E CB -0.388 29.311 29.700 -0.002 0.000 0.756 269 E HN 0.486 nan 8.360 nan 0.000 0.459 270 L N 0.535 121.694 121.223 -0.107 0.000 2.093 270 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 270 L C 2.677 179.448 176.870 -0.165 0.000 1.085 270 L CA 1.140 55.886 54.840 -0.155 0.000 0.755 270 L CB -0.344 41.568 42.059 -0.245 0.000 0.904 270 L HN 0.184 nan 8.230 nan 0.000 0.435 271 Q N 0.497 120.188 119.800 -0.182 0.000 2.135 271 Q HA -0.240 4.100 4.340 -0.001 0.000 0.204 271 Q C 2.062 178.023 176.000 -0.066 0.000 0.981 271 Q CA 1.629 57.373 55.803 -0.099 0.000 0.856 271 Q CB 0.174 28.928 28.738 0.027 0.000 0.902 271 Q HN 0.458 nan 8.270 nan 0.000 0.425 272 K N -0.494 119.872 120.400 -0.058 0.000 2.067 272 K HA 0.029 4.349 4.320 -0.001 0.000 0.203 272 K C 2.149 178.716 176.600 -0.055 0.000 1.048 272 K CA 0.736 56.993 56.287 -0.050 0.000 0.954 272 K CB -0.129 32.347 32.500 -0.039 0.000 0.737 272 K HN 0.184 nan 8.250 nan 0.000 0.444 273 A N 1.264 124.047 122.820 -0.061 0.000 1.948 273 A HA -0.148 4.171 4.320 -0.001 0.000 0.220 273 A C 2.301 179.846 177.584 -0.066 0.000 1.177 273 A CA 1.607 53.605 52.037 -0.065 0.000 0.636 273 A CB -0.603 18.353 19.000 -0.074 0.000 0.815 273 A HN 0.096 nan 8.150 nan 0.000 0.449 274 V N -1.485 118.387 119.914 -0.070 0.000 2.725 274 V HA 0.350 4.469 4.120 -0.001 0.000 0.247 274 V C 1.279 177.343 176.094 -0.049 0.000 1.058 274 V CA 1.177 63.441 62.300 -0.061 0.000 1.080 274 V CB -0.877 30.904 31.823 -0.069 0.000 0.713 274 V HN 1.317 nan 8.190 nan 0.000 0.465 275 G N 0.172 108.941 108.800 -0.051 0.000 2.712 275 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.686 275 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.686 275 G C -1.498 173.376 174.900 -0.044 0.000 1.181 275 G CA -0.245 44.828 45.100 -0.045 0.000 0.762 275 G HN 0.124 nan 8.290 nan 0.000 0.641 276 P HA -0.207 nan 4.420 nan 0.000 0.217 276 P C 1.352 178.629 177.300 -0.038 0.000 1.158 276 P CA 2.158 65.225 63.100 -0.055 0.000 0.887 276 P CB 0.109 31.774 31.700 -0.058 0.000 0.792 277 E N -0.342 119.842 120.200 -0.028 0.000 2.031 277 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 277 E C 2.314 178.912 176.600 -0.004 0.000 0.994 277 E CA 1.047 57.438 56.400 -0.015 0.000 0.800 277 E CB -0.505 29.187 29.700 -0.014 0.000 0.752 277 E HN 0.270 nan 8.360 nan 0.000 0.447 278 I N 0.941 121.507 120.570 -0.006 0.000 2.394 278 I HA -0.222 3.948 4.170 -0.001 0.000 0.251 278 I C 2.278 178.407 176.117 0.020 0.000 1.136 278 I CA 0.954 62.257 61.300 0.005 0.000 1.425 278 I CB -0.423 37.573 38.000 -0.006 0.000 1.079 278 I HN 0.128 nan 8.210 nan 0.000 0.425 279 T N 0.691 115.251 114.554 0.011 0.000 2.720 279 T HA -0.248 4.101 4.350 -0.001 0.000 0.268 279 T C 1.955 176.709 174.700 0.090 0.000 1.037 279 T CA 1.545 63.676 62.100 0.052 0.000 1.144 279 T CB -0.185 68.686 68.868 0.004 0.000 0.864 279 T HN 0.343 nan 8.240 nan 0.000 0.444 280 K N 0.229 120.651 120.400 0.037 0.000 2.103 280 K HA -0.091 4.229 4.320 -0.001 0.000 0.204 280 K C 2.201 178.839 176.600 0.064 0.000 1.052 280 K CA 1.298 57.610 56.287 0.042 0.000 0.945 280 K CB -0.116 32.387 32.500 0.005 0.000 0.722 280 K HN 0.246 nan 8.250 nan 0.000 0.443 281 T N 1.281 115.866 114.554 0.051 0.000 2.671 281 T HA -0.071 4.279 4.350 -0.001 0.000 0.250 281 T C 1.257 176.000 174.700 0.072 0.000 1.068 281 T CA 1.414 63.545 62.100 0.052 0.000 1.177 281 T CB -0.240 68.648 68.868 0.034 0.000 0.876 281 T HN 0.285 nan 8.240 nan 0.000 0.405 282 D N 0.843 121.285 120.400 0.070 0.000 2.216 282 D HA 0.126 4.766 4.640 -0.001 0.000 0.208 282 D C 2.224 178.600 176.300 0.127 0.000 0.960 282 D CA 0.510 54.560 54.000 0.083 0.000 0.861 282 D CB -0.006 40.828 40.800 0.056 0.000 0.985 282 D HN 0.257 nan 8.370 nan 0.000 0.493 283 L N 0.757 122.067 121.223 0.146 0.000 2.131 283 L HA -0.056 4.283 4.340 -0.001 0.000 0.206 283 L C 2.535 179.658 176.870 0.423 0.000 1.087 283 L CA 0.377 55.359 54.840 0.238 0.000 0.767 283 L CB -0.192 41.938 42.059 0.119 0.000 0.917 283 L HN -0.114 nan 8.230 nan 0.000 0.441 284 V N 0.529 120.676 119.914 0.389 0.000 2.407 284 V HA -0.154 3.965 4.120 -0.001 0.000 0.248 284 V C -0.268 176.006 176.094 0.300 0.000 1.055 284 V CA 1.930 64.483 62.300 0.421 0.000 1.049 284 V CB -1.298 30.711 31.823 0.310 0.000 0.662 284 V HN 0.326 nan 8.190 nan 0.000 0.455 285 P HA -0.051 nan 4.420 nan 0.000 0.217 285 P C 1.754 179.135 177.300 0.136 0.000 1.154 285 P CA 1.704 64.891 63.100 0.145 0.000 0.841 285 P CB -0.123 31.643 31.700 0.109 0.000 0.788 286 A N -0.760 122.174 122.820 0.190 0.000 1.883 286 A HA -0.235 4.085 4.320 -0.001 0.000 0.217 286 A C 2.123 179.764 177.584 0.095 0.000 1.186 286 A CA 1.525 53.672 52.037 0.182 0.000 0.624 286 A CB -1.934 17.246 19.000 0.301 0.000 0.822 286 A HN 0.100 nan 8.150 nan 0.000 0.444 287 F N 0.802 120.720 119.950 -0.053 0.000 2.120 287 F HA -0.250 4.276 4.527 -0.001 0.000 0.300 287 F C 2.554 178.193 175.800 -0.268 0.000 1.095 287 F CA 2.262 59.967 58.000 -0.492 0.000 1.249 287 F CB -0.481 38.124 39.000 -0.658 0.000 0.995 287 F HN 0.356 nan 8.300 nan 0.000 0.480 288 Q N -0.331 119.421 119.800 -0.081 0.000 2.124 288 Q HA -0.209 4.131 4.340 -0.001 0.000 0.202 288 Q C 1.971 177.879 176.000 -0.153 0.000 0.977 288 Q CA 1.478 57.211 55.803 -0.116 0.000 0.850 288 Q CB -0.307 28.437 28.738 0.010 0.000 0.901 288 Q HN 0.448 nan 8.270 nan 0.000 0.429 289 N N 0.630 119.270 118.700 -0.101 0.000 2.142 289 N HA -0.110 4.630 4.740 -0.001 0.000 0.186 289 N C 1.884 177.313 175.510 -0.136 0.000 1.023 289 N CA 0.946 53.948 53.050 -0.081 0.000 0.852 289 N CB -0.218 38.254 38.487 -0.025 0.000 0.998 289 N HN 0.222 nan 8.380 nan 0.000 0.424 290 L N 0.672 121.764 121.223 -0.219 0.000 2.046 290 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 290 L C 2.288 178.978 176.870 -0.301 0.000 1.077 290 L CA 0.981 55.667 54.840 -0.257 0.000 0.747 290 L CB -0.335 41.500 42.059 -0.373 0.000 0.896 290 L HN 0.132 nan 8.230 nan 0.000 0.432 291 M N -0.748 118.594 119.600 -0.429 0.000 2.460 291 M HA -0.152 4.327 4.480 -0.001 0.000 0.263 291 M C 1.327 177.512 176.300 -0.191 0.000 1.071 291 M CA 1.452 56.541 55.300 -0.352 0.000 1.096 291 M CB -0.041 32.312 32.600 -0.412 0.000 1.408 291 M HN 0.128 nan 8.290 nan 0.000 0.463 292 K N -0.469 119.839 120.400 -0.152 0.000 2.399 292 K HA 0.104 4.423 4.320 -0.001 0.000 0.204 292 K C 0.050 176.612 176.600 -0.065 0.000 1.023 292 K CA -0.221 56.012 56.287 -0.091 0.000 1.127 292 K CB 0.325 32.782 32.500 -0.072 0.000 0.856 292 K HN 0.180 nan 8.250 nan 0.000 0.514 293 D N 0.843 121.203 120.400 -0.066 0.000 2.406 293 D HA -0.098 4.542 4.640 -0.001 0.000 0.234 293 D C 1.349 177.631 176.300 -0.031 0.000 1.196 293 D CA 0.096 54.078 54.000 -0.030 0.000 0.881 293 D CB 1.027 41.823 40.800 -0.007 0.000 1.205 293 D HN 0.264 nan 8.370 nan 0.000 0.453 294 C N 1.459 120.746 119.300 -0.023 0.000 2.475 294 C HA 0.107 4.567 4.460 -0.001 0.000 0.279 294 C C 0.726 175.673 174.990 -0.070 0.000 1.322 294 C CA -0.379 58.615 59.018 -0.040 0.000 1.734 294 C CB -0.535 27.185 27.740 -0.033 0.000 2.005 294 C HN 0.460 nan 8.230 nan 0.000 0.495 295 E N 1.627 121.778 120.200 -0.083 0.000 2.223 295 E HA 0.384 4.734 4.350 -0.001 0.000 0.282 295 E C 1.077 177.611 176.600 -0.110 0.000 1.046 295 E CA 0.520 56.814 56.400 -0.178 0.000 0.857 295 E CB 1.059 30.572 29.700 -0.311 0.000 1.055 295 E HN 0.531 nan 8.360 nan 0.000 0.409 296 A N 3.926 126.675 122.820 -0.118 0.000 2.024 296 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 296 A C 1.824 179.466 177.584 0.095 0.000 1.164 296 A CA 1.416 53.442 52.037 -0.017 0.000 0.643 296 A CB -0.195 18.792 19.000 -0.023 0.000 0.806 296 A HN 0.480 nan 8.150 nan 0.000 0.451 297 E N -0.496 119.701 120.200 -0.005 0.000 2.077 297 E HA -0.111 4.239 4.350 -0.001 0.000 0.193 297 E C 1.985 178.834 176.600 0.414 0.000 0.989 297 E CA 1.299 57.824 56.400 0.209 0.000 0.800 297 E CB -0.333 29.370 29.700 0.006 0.000 0.746 297 E HN 0.378 nan 8.360 nan 0.000 0.452 298 V N 0.641 120.740 119.914 0.308 0.000 2.323 298 V HA -0.212 3.907 4.120 -0.001 0.000 0.244 298 V C 2.134 178.270 176.094 0.070 0.000 1.041 298 V CA 1.741 64.196 62.300 0.259 0.000 1.025 298 V CB -0.408 31.548 31.823 0.221 0.000 0.656 298 V HN 0.203 nan 8.190 nan 0.000 0.451 299 R N 0.466 120.981 120.500 0.025 0.000 2.103 299 R HA -0.203 4.137 4.340 -0.001 0.000 0.242 299 R C 2.388 178.657 176.300 -0.051 0.000 1.142 299 R CA 1.663 57.731 56.100 -0.052 0.000 0.960 299 R CB -0.687 29.587 30.300 -0.043 0.000 0.858 299 R HN 0.549 nan 8.270 nan 0.000 0.439 300 A N 1.348 124.175 122.820 0.011 0.000 1.873 300 A HA -0.042 4.278 4.320 -0.001 0.000 0.215 300 A C 2.441 180.007 177.584 -0.031 0.000 1.186 300 A CA 1.459 53.466 52.037 -0.050 0.000 0.616 300 A CB -0.614 18.277 19.000 -0.182 0.000 0.823 300 A HN 0.381 nan 8.150 nan 0.000 0.442 301 A N 0.029 122.853 122.820 0.006 0.000 1.883 301 A HA 0.073 4.393 4.320 -0.001 0.000 0.217 301 A C 2.517 180.078 177.584 -0.039 0.000 1.186 301 A CA 2.433 54.429 52.037 -0.068 0.000 0.624 301 A CB -1.086 17.728 19.000 -0.309 0.000 0.822 301 A HN 1.056 nan 8.150 nan 0.000 0.444 302 A N -0.521 122.233 122.820 -0.111 0.000 1.855 302 A HA -0.063 4.257 4.320 -0.001 0.000 0.215 302 A C 2.422 179.954 177.584 -0.087 0.000 1.191 302 A CA 2.071 53.984 52.037 -0.206 0.000 0.613 302 A CB -1.080 17.626 19.000 -0.489 0.000 0.829 302 A HN 0.502 nan 8.150 nan 0.000 0.442 303 S N -0.778 114.867 115.700 -0.091 0.000 2.392 303 S HA -0.265 4.204 4.470 -0.001 0.000 0.232 303 S C 1.890 176.549 174.600 0.099 0.000 1.041 303 S CA 1.855 60.050 58.200 -0.007 0.000 1.026 303 S CB -0.587 62.600 63.200 -0.021 0.000 0.845 303 S HN 0.793 nan 8.310 nan 0.000 0.465 304 H N 1.664 120.730 119.070 -0.006 0.000 2.421 304 H HA 0.066 4.621 4.556 -0.001 0.000 0.298 304 H C 1.804 177.168 175.328 0.061 0.000 1.087 304 H CA 1.311 57.366 56.048 0.013 0.000 1.330 304 H CB 0.045 29.799 29.762 -0.013 0.000 1.388 304 H HN 0.061 nan 8.280 nan 0.000 0.526 305 K N -0.017 120.439 120.400 0.093 0.000 2.366 305 K HA -0.009 4.310 4.320 -0.001 0.000 0.198 305 K C 2.244 178.921 176.600 0.129 0.000 1.044 305 K CA 0.509 56.848 56.287 0.087 0.000 0.973 305 K CB -0.421 32.178 32.500 0.165 0.000 0.767 305 K HN 0.181 nan 8.250 nan 0.000 0.475 306 V N 2.526 122.584 119.914 0.240 0.000 2.226 306 V HA -0.355 3.765 4.120 -0.001 0.000 0.254 306 V C 2.679 178.850 176.094 0.129 0.000 1.065 306 V CA 2.203 64.655 62.300 0.253 0.000 1.039 306 V CB -0.399 31.553 31.823 0.214 0.000 0.653 306 V HN 0.376 nan 8.190 nan 0.000 0.450 307 K N -0.385 120.048 120.400 0.057 0.000 2.032 307 K HA -0.234 4.086 4.320 -0.001 0.000 0.209 307 K C 2.156 178.759 176.600 0.006 0.000 1.048 307 K CA 2.164 58.462 56.287 0.018 0.000 0.927 307 K CB -0.375 32.118 32.500 -0.012 0.000 0.712 307 K HN 0.619 nan 8.250 nan 0.000 0.441 308 E N -0.616 119.586 120.200 0.003 0.000 2.051 308 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 308 E C 1.991 178.612 176.600 0.036 0.000 0.991 308 E CA 1.198 57.603 56.400 0.007 0.000 0.799 308 E CB -0.231 29.473 29.700 0.008 0.000 0.748 308 E HN 0.246 nan 8.360 nan 0.000 0.449 309 F N 1.194 121.065 119.950 -0.132 0.000 2.046 309 F HA -0.269 4.258 4.527 -0.001 0.000 0.297 309 F C 2.371 178.080 175.800 -0.152 0.000 1.123 309 F CA 1.370 59.253 58.000 -0.195 0.000 1.199 309 F CB -0.677 38.038 39.000 -0.475 0.000 0.972 309 F HN 0.074 nan 8.300 nan 0.000 0.474 310 C N 0.242 119.435 119.300 -0.178 0.000 2.411 310 C HA -0.183 4.277 4.460 -0.001 0.000 0.279 310 C C 2.721 177.589 174.990 -0.204 0.000 1.288 310 C CA 1.244 60.121 59.018 -0.236 0.000 1.764 310 C CB -1.395 26.306 27.740 -0.065 0.000 1.974 310 C HN 0.580 nan 8.230 nan 0.000 0.498 311 E N 0.912 121.031 120.200 -0.135 0.000 2.153 311 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 311 E C 1.241 177.763 176.600 -0.131 0.000 0.988 311 E CA 1.031 57.368 56.400 -0.104 0.000 0.811 311 E CB -0.036 29.625 29.700 -0.065 0.000 0.746 311 E HN 0.617 nan 8.360 nan 0.000 0.466 312 N N -0.446 118.142 118.700 -0.186 0.000 2.299 312 N HA 0.114 4.853 4.740 -0.001 0.000 0.187 312 N C -0.230 175.131 175.510 -0.248 0.000 1.099 312 N CA 0.021 52.959 53.050 -0.187 0.000 0.867 312 N CB 0.301 38.698 38.487 -0.150 0.000 0.974 312 N HN 0.035 nan 8.380 nan 0.000 0.477 313 L N 0.915 121.935 121.223 -0.338 0.000 2.483 313 L HA 0.078 4.417 4.340 -0.001 0.000 0.275 313 L C 0.813 177.576 176.870 -0.179 0.000 1.220 313 L CA -0.428 54.226 54.840 -0.309 0.000 0.833 313 L CB 0.220 42.081 42.059 -0.330 0.000 1.102 313 L HN 0.133 nan 8.230 nan 0.000 0.490 314 S N 1.412 117.030 115.700 -0.136 0.000 2.546 314 S HA 0.102 4.572 4.470 -0.001 0.000 0.290 314 S C 1.251 175.801 174.600 -0.082 0.000 1.290 314 S CA -0.282 57.862 58.200 -0.093 0.000 1.069 314 S CB 1.210 64.367 63.200 -0.072 0.000 0.846 314 S HN 0.754 nan 8.310 nan 0.000 0.495 315 A N 3.610 126.389 122.820 -0.069 0.000 1.929 315 A HA -0.318 4.002 4.320 -0.001 0.000 0.221 315 A C 1.775 179.329 177.584 -0.050 0.000 1.211 315 A CA 2.545 54.547 52.037 -0.058 0.000 0.657 315 A CB -1.631 17.341 19.000 -0.047 0.000 0.827 315 A HN 1.077 nan 8.150 nan 0.000 0.462 316 D N -0.530 119.843 120.400 -0.045 0.000 2.084 316 D HA -0.183 4.456 4.640 -0.001 0.000 0.196 316 D C 1.894 178.171 176.300 -0.037 0.000 0.985 316 D CA 1.621 55.599 54.000 -0.037 0.000 0.826 316 D CB -1.049 39.732 40.800 -0.031 0.000 0.978 316 D HN 0.680 nan 8.370 nan 0.000 0.456 317 C N -0.419 118.855 119.300 -0.043 0.000 2.539 317 C HA 0.337 4.797 4.460 -0.001 0.000 0.268 317 C C 2.381 177.341 174.990 -0.051 0.000 1.395 317 C CA -0.446 58.548 59.018 -0.041 0.000 1.757 317 C CB -1.254 26.463 27.740 -0.038 0.000 1.851 317 C HN 0.261 nan 8.230 nan 0.000 0.545 318 R N 1.784 122.244 120.500 -0.067 0.000 2.358 318 R HA -0.311 4.028 4.340 -0.001 0.000 0.215 318 R C 2.286 178.550 176.300 -0.060 0.000 1.059 318 R CA 2.677 58.729 56.100 -0.080 0.000 0.817 318 R CB -1.035 29.216 30.300 -0.082 0.000 0.823 318 R HN 0.697 nan 8.270 nan 0.000 0.424 319 E N -0.380 119.791 120.200 -0.047 0.000 2.253 319 E HA -0.305 4.045 4.350 -0.001 0.000 0.202 319 E C 1.665 178.245 176.600 -0.033 0.000 1.014 319 E CA 1.958 58.336 56.400 -0.036 0.000 0.823 319 E CB -0.182 29.502 29.700 -0.027 0.000 0.736 319 E HN 0.434 nan 8.360 nan 0.000 0.478 320 N N -0.365 118.317 118.700 -0.030 0.000 2.173 320 N HA -0.146 4.594 4.740 -0.001 0.000 0.184 320 N C 1.974 177.472 175.510 -0.019 0.000 1.025 320 N CA 1.736 54.771 53.050 -0.024 0.000 0.852 320 N CB -0.015 38.461 38.487 -0.018 0.000 0.998 320 N HN 0.160 nan 8.380 nan 0.000 0.427 321 V N -0.534 119.370 119.914 -0.017 0.000 2.490 321 V HA -0.093 4.026 4.120 -0.001 0.000 0.250 321 V C 1.978 178.080 176.094 0.014 0.000 1.061 321 V CA 1.365 63.667 62.300 0.003 0.000 1.064 321 V CB -0.701 31.123 31.823 0.001 0.000 0.670 321 V HN 0.296 nan 8.190 nan 0.000 0.461 322 I N -0.234 120.333 120.570 -0.006 0.000 2.113 322 I HA -0.178 3.992 4.170 -0.001 0.000 0.238 322 I C 2.819 178.929 176.117 -0.011 0.000 1.070 322 I CA 2.104 63.406 61.300 0.003 0.000 1.332 322 I CB -0.428 37.562 38.000 -0.016 0.000 1.044 322 I HN 0.281 nan 8.210 nan 0.000 0.402 323 M N -0.429 119.144 119.600 -0.046 0.000 2.460 323 M HA -0.119 4.360 4.480 -0.001 0.000 0.263 323 M C 2.279 178.537 176.300 -0.070 0.000 1.071 323 M CA 1.287 56.529 55.300 -0.097 0.000 1.096 323 M CB -1.287 31.234 32.600 -0.132 0.000 1.408 323 M HN 0.201 nan 8.290 nan 0.000 0.463 324 S N -0.965 114.718 115.700 -0.029 0.000 2.506 324 S HA 0.053 4.523 4.470 -0.001 0.000 0.230 324 S C 1.806 176.414 174.600 0.014 0.000 1.066 324 S CA 0.251 58.444 58.200 -0.011 0.000 0.940 324 S CB 0.427 63.625 63.200 -0.004 0.000 0.818 324 S HN 0.382 nan 8.310 nan 0.000 0.518 325 Q N 0.400 120.222 119.800 0.036 0.000 2.388 325 Q HA 0.244 4.584 4.340 -0.001 0.000 0.204 325 Q C 2.043 178.098 176.000 0.092 0.000 0.946 325 Q CA 0.510 56.354 55.803 0.069 0.000 0.880 325 Q CB -0.205 28.592 28.738 0.098 0.000 0.997 325 Q HN 0.435 nan 8.270 nan 0.000 0.552 326 I N 1.023 121.661 120.570 0.113 0.000 2.206 326 I HA -0.161 4.008 4.170 -0.001 0.000 0.239 326 I C 2.428 178.597 176.117 0.087 0.000 1.078 326 I CA 0.659 62.048 61.300 0.148 0.000 1.367 326 I CB -1.249 36.867 38.000 0.194 0.000 1.078 326 I HN 0.146 nan 8.210 nan 0.000 0.413 327 L N 2.869 124.121 121.223 0.048 0.000 2.043 327 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 327 L C -0.336 176.545 176.870 0.018 0.000 1.075 327 L CA 2.416 57.270 54.840 0.023 0.000 0.752 327 L CB -1.928 40.116 42.059 -0.026 0.000 0.891 327 L HN 0.109 nan 8.230 nan 0.000 0.432 328 P HA -0.153 nan 4.420 nan 0.000 0.217 328 P C 1.951 179.258 177.300 0.012 0.000 1.150 328 P CA 1.746 64.852 63.100 0.010 0.000 0.832 328 P CB -0.315 31.390 31.700 0.007 0.000 0.787 329 C N -0.469 118.839 119.300 0.013 0.000 2.425 329 C HA -0.076 4.384 4.460 -0.001 0.000 0.277 329 C C 2.978 177.964 174.990 -0.006 0.000 1.280 329 C CA 0.449 59.464 59.018 -0.006 0.000 1.744 329 C CB -1.732 25.999 27.740 -0.016 0.000 1.989 329 C HN 0.176 nan 8.230 nan 0.000 0.491 330 I N 0.507 121.088 120.570 0.017 0.000 2.252 330 I HA -0.195 3.974 4.170 -0.001 0.000 0.245 330 I C 2.433 178.562 176.117 0.020 0.000 1.102 330 I CA 1.486 62.800 61.300 0.023 0.000 1.385 330 I CB -0.435 37.593 38.000 0.047 0.000 1.064 330 I HN 0.350 nan 8.210 nan 0.000 0.414 331 K N 0.380 120.795 120.400 0.024 0.000 2.152 331 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 331 K C 2.049 178.657 176.600 0.013 0.000 1.048 331 K CA 1.067 57.370 56.287 0.026 0.000 0.933 331 K CB -0.035 32.484 32.500 0.031 0.000 0.721 331 K HN 0.220 nan 8.250 nan 0.000 0.447 332 E N 0.879 121.081 120.200 0.004 0.000 2.047 332 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 332 E C 2.059 178.653 176.600 -0.011 0.000 0.987 332 E CA 0.997 57.394 56.400 -0.006 0.000 0.799 332 E CB -0.126 29.565 29.700 -0.016 0.000 0.752 332 E HN 0.293 nan 8.360 nan 0.000 0.449 333 L N 0.470 121.684 121.223 -0.015 0.000 2.083 333 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 333 L C 2.462 179.327 176.870 -0.008 0.000 1.083 333 L CA 0.596 55.425 54.840 -0.019 0.000 0.752 333 L CB -0.470 41.573 42.059 -0.026 0.000 0.899 333 L HN -0.025 nan 8.230 nan 0.000 0.433 334 V N -0.957 118.958 119.914 0.002 0.000 2.794 334 V HA -0.248 3.872 4.120 -0.001 0.000 0.260 334 V C 2.022 178.116 176.094 -0.000 0.000 1.103 334 V CA 1.784 64.087 62.300 0.005 0.000 1.125 334 V CB -0.329 31.503 31.823 0.015 0.000 0.702 334 V HN 0.369 nan 8.190 nan 0.000 0.494 335 S N -1.985 113.714 115.700 -0.003 0.000 2.539 335 S HA 0.098 4.567 4.470 -0.001 0.000 0.221 335 S C 0.685 175.280 174.600 -0.009 0.000 0.987 335 S CA -0.404 57.793 58.200 -0.005 0.000 0.929 335 S CB -0.074 63.124 63.200 -0.003 0.000 0.832 335 S HN 0.626 nan 8.310 nan 0.000 0.492 336 D N 1.682 122.076 120.400 -0.011 0.000 2.443 336 D HA 0.099 4.738 4.640 -0.001 0.000 0.234 336 D C 1.193 177.487 176.300 -0.011 0.000 1.172 336 D CA 0.413 54.404 54.000 -0.013 0.000 0.878 336 D CB 1.026 41.817 40.800 -0.015 0.000 1.204 336 D HN 0.202 nan 8.370 nan 0.000 0.453 337 A N 4.033 126.845 122.820 -0.013 0.000 1.826 337 A HA -0.145 4.175 4.320 -0.001 0.000 0.214 337 A C 0.958 178.538 177.584 -0.007 0.000 1.212 337 A CA 0.751 52.781 52.037 -0.013 0.000 0.605 337 A CB -0.678 18.311 19.000 -0.019 0.000 0.861 337 A HN 0.719 nan 8.150 nan 0.000 0.447 338 N N 0.842 119.541 118.700 -0.003 0.000 2.411 338 N HA 0.111 4.850 4.740 -0.001 0.000 0.261 338 N C 0.795 176.326 175.510 0.034 0.000 1.248 338 N CA 0.247 53.306 53.050 0.016 0.000 0.885 338 N CB 0.522 39.028 38.487 0.030 0.000 1.062 338 N HN 0.466 nan 8.380 nan 0.000 0.471 339 Q N 0.867 120.689 119.800 0.038 0.000 2.369 339 Q HA -0.188 4.151 4.340 -0.001 0.000 0.206 339 Q C 0.987 177.022 176.000 0.057 0.000 0.963 339 Q CA 0.727 56.550 55.803 0.033 0.000 0.894 339 Q CB -0.079 28.673 28.738 0.023 0.000 0.965 339 Q HN 0.682 nan 8.270 nan 0.000 0.475 340 H N 0.965 120.022 119.070 -0.022 0.000 2.289 340 H HA -0.146 4.410 4.556 -0.001 0.000 0.296 340 H C 1.829 177.150 175.328 -0.011 0.000 1.091 340 H CA 1.998 58.035 56.048 -0.018 0.000 1.274 340 H CB -0.139 29.608 29.762 -0.026 0.000 1.364 340 H HN -0.007 nan 8.280 nan 0.000 0.490 341 V N 0.882 120.801 119.914 0.009 0.000 2.244 341 V HA -0.217 3.903 4.120 -0.001 0.000 0.244 341 V C 2.420 178.487 176.094 -0.044 0.000 1.042 341 V CA 2.174 64.444 62.300 -0.050 0.000 1.006 341 V CB -0.507 31.313 31.823 -0.004 0.000 0.641 341 V HN 0.396 nan 8.190 nan 0.000 0.446 342 K N 0.204 120.593 120.400 -0.017 0.000 2.127 342 K HA -0.243 4.077 4.320 -0.001 0.000 0.208 342 K C 2.514 179.103 176.600 -0.018 0.000 1.047 342 K CA 1.854 58.133 56.287 -0.013 0.000 0.927 342 K CB -0.436 32.060 32.500 -0.007 0.000 0.716 342 K HN 0.435 nan 8.250 nan 0.000 0.450 343 S N 0.533 116.215 115.700 -0.029 0.000 2.348 343 S HA -0.180 4.289 4.470 -0.001 0.000 0.221 343 S C 2.093 176.669 174.600 -0.039 0.000 1.033 343 S CA 1.373 59.552 58.200 -0.034 0.000 1.010 343 S CB -0.222 62.953 63.200 -0.042 0.000 0.891 343 S HN 0.388 nan 8.310 nan 0.000 0.442 344 A N 1.625 124.393 122.820 -0.087 0.000 1.865 344 A HA -0.055 4.264 4.320 -0.001 0.000 0.217 344 A C 2.226 179.845 177.584 0.059 0.000 1.191 344 A CA 1.875 53.883 52.037 -0.048 0.000 0.623 344 A CB -1.157 17.770 19.000 -0.122 0.000 0.826 344 A HN 0.606 nan 8.150 nan 0.000 0.444 345 L N -0.110 121.129 121.223 0.026 0.000 1.989 345 L HA -0.100 4.240 4.340 -0.001 0.000 0.211 345 L C 2.667 179.565 176.870 0.048 0.000 1.071 345 L CA 2.510 57.375 54.840 0.042 0.000 0.749 345 L CB -0.957 41.115 42.059 0.021 0.000 0.890 345 L HN 0.362 nan 8.230 nan 0.000 0.431 346 A N -0.740 122.099 122.820 0.031 0.000 1.986 346 A HA -0.269 4.050 4.320 -0.001 0.000 0.220 346 A C 2.419 180.029 177.584 0.043 0.000 1.171 346 A CA 2.232 54.288 52.037 0.032 0.000 0.640 346 A CB -1.233 17.773 19.000 0.011 0.000 0.811 346 A HN 0.736 nan 8.150 nan 0.000 0.451 347 S N -0.940 114.794 115.700 0.055 0.000 2.522 347 S HA 0.058 4.528 4.470 -0.001 0.000 0.227 347 S C 1.257 175.896 174.600 0.064 0.000 0.986 347 S CA 1.179 59.419 58.200 0.067 0.000 0.929 347 S CB -0.282 62.976 63.200 0.096 0.000 0.769 347 S HN 1.235 nan 8.310 nan 0.000 0.529 348 V N -3.010 116.938 119.914 0.056 0.000 3.426 348 V HA 0.440 4.560 4.120 -0.001 0.000 0.271 348 V C 1.658 177.768 176.094 0.028 0.000 1.530 348 V CA -0.013 62.301 62.300 0.023 0.000 1.021 348 V CB -0.739 31.069 31.823 -0.025 0.000 0.824 348 V HN 0.344 nan 8.190 nan 0.000 0.432 349 I N 0.486 121.083 120.570 0.045 0.000 2.151 349 I HA -0.217 3.953 4.170 -0.001 0.000 0.243 349 I C 2.289 178.433 176.117 0.045 0.000 1.080 349 I CA 2.020 63.351 61.300 0.052 0.000 1.339 349 I CB 0.100 38.138 38.000 0.064 0.000 1.039 349 I HN 0.251 nan 8.210 nan 0.000 0.409 350 M N 0.476 120.106 119.600 0.050 0.000 2.748 350 M HA -0.009 4.471 4.480 -0.001 0.000 0.241 350 M C 1.757 178.055 176.300 -0.004 0.000 1.080 350 M CA 0.700 56.014 55.300 0.024 0.000 1.068 350 M CB -1.493 31.128 32.600 0.036 0.000 1.536 350 M HN 0.335 nan 8.290 nan 0.000 0.540 351 G N -0.870 107.931 108.800 0.003 0.000 2.985 351 G HA2 0.083 4.043 3.960 -0.001 0.000 0.209 351 G HA3 0.083 4.043 3.960 -0.001 0.000 0.209 351 G C 1.484 176.377 174.900 -0.011 0.000 1.165 351 G CA -0.126 44.969 45.100 -0.009 0.000 0.776 351 G HN 0.409 nan 8.290 nan 0.000 0.541 352 L N 0.274 121.495 121.223 -0.003 0.000 2.341 352 L HA 0.017 4.357 4.340 -0.001 0.000 0.214 352 L C 2.905 179.767 176.870 -0.012 0.000 1.115 352 L CA 0.151 54.990 54.840 -0.002 0.000 0.820 352 L CB -0.229 41.840 42.059 0.016 0.000 0.944 352 L HN 0.132 nan 8.230 nan 0.000 0.452 353 S N 0.864 116.551 115.700 -0.022 0.000 2.380 353 S HA -0.168 4.301 4.470 -0.001 0.000 0.229 353 S C -0.310 174.271 174.600 -0.031 0.000 1.050 353 S CA 2.213 60.393 58.200 -0.034 0.000 1.100 353 S CB -1.287 61.877 63.200 -0.060 0.000 0.984 353 S HN 0.374 nan 8.310 nan 0.000 0.434 354 P HA -0.098 nan 4.420 nan 0.000 0.216 354 P C 1.110 178.394 177.300 -0.028 0.000 1.153 354 P CA 1.268 64.349 63.100 -0.031 0.000 0.858 354 P CB -0.342 31.339 31.700 -0.032 0.000 0.789 355 I N -1.539 119.014 120.570 -0.027 0.000 3.456 355 I HA -0.027 4.142 4.170 -0.001 0.000 0.291 355 I C 1.974 178.078 176.117 -0.022 0.000 1.307 355 I CA 0.685 61.968 61.300 -0.029 0.000 1.333 355 I CB -0.426 37.554 38.000 -0.034 0.000 1.032 355 I HN -0.073 nan 8.210 nan 0.000 0.506 356 L N -0.273 120.942 121.223 -0.014 0.000 3.128 356 L HA 0.407 4.746 4.340 -0.001 0.000 0.277 356 L C 0.750 177.621 176.870 0.002 0.000 1.171 356 L CA -0.080 54.758 54.840 -0.003 0.000 1.008 356 L CB 0.765 42.831 42.059 0.011 0.000 1.442 356 L HN 0.333 nan 8.230 nan 0.000 0.584 357 G N 1.256 110.051 108.800 -0.009 0.000 2.705 357 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.686 357 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.686 357 G C 0.292 175.184 174.900 -0.013 0.000 1.285 357 G CA 0.105 45.199 45.100 -0.011 0.000 0.800 357 G HN 0.120 nan 8.290 nan 0.000 0.611 358 K N -0.084 120.303 120.400 -0.022 0.000 2.113 358 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 358 K C 1.690 178.276 176.600 -0.024 0.000 1.047 358 K CA 2.280 58.549 56.287 -0.030 0.000 0.928 358 K CB -0.209 32.273 32.500 -0.031 0.000 0.716 358 K HN 0.623 nan 8.250 nan 0.000 0.446 359 D N 0.247 120.640 120.400 -0.011 0.000 2.091 359 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 359 D C 1.743 178.046 176.300 0.005 0.000 0.980 359 D CA 0.827 54.823 54.000 -0.007 0.000 0.831 359 D CB -0.211 40.590 40.800 0.002 0.000 0.987 359 D HN 0.275 nan 8.370 nan 0.000 0.460 360 N N 0.646 119.370 118.700 0.040 0.000 2.106 360 N HA -0.095 4.644 4.740 -0.001 0.000 0.188 360 N C 1.927 177.489 175.510 0.088 0.000 1.029 360 N CA 1.010 54.129 53.050 0.116 0.000 0.848 360 N CB -0.577 37.979 38.487 0.115 0.000 1.007 360 N HN 0.108 nan 8.380 nan 0.000 0.423 361 T N 2.429 117.002 114.554 0.031 0.000 2.607 361 T HA -0.091 4.258 4.350 -0.001 0.000 0.267 361 T C 2.098 176.785 174.700 -0.022 0.000 1.049 361 T CA 1.042 63.144 62.100 0.002 0.000 1.162 361 T CB -0.378 68.467 68.868 -0.037 0.000 0.863 361 T HN 0.202 nan 8.240 nan 0.000 0.424 362 I N 0.656 121.200 120.570 -0.043 0.000 2.315 362 I HA -0.185 3.984 4.170 -0.001 0.000 0.251 362 I C 2.643 178.716 176.117 -0.073 0.000 1.125 362 I CA 1.478 62.744 61.300 -0.057 0.000 1.392 362 I CB -0.298 37.670 38.000 -0.054 0.000 1.065 362 I HN 0.390 nan 8.210 nan 0.000 0.424 363 E N -0.256 119.872 120.200 -0.119 0.000 2.251 363 E HA -0.089 4.260 4.350 -0.001 0.000 0.194 363 E C 1.675 178.053 176.600 -0.371 0.000 0.964 363 E CA 0.511 56.752 56.400 -0.266 0.000 0.868 363 E CB 0.223 29.684 29.700 -0.398 0.000 0.828 363 E HN 0.598 nan 8.360 nan 0.000 0.481 364 H N -1.028 118.049 119.070 0.011 0.000 2.855 364 H HA 0.246 4.801 4.556 -0.001 0.000 0.259 364 H C 1.609 176.954 175.328 0.028 0.000 0.972 364 H CA 0.150 56.210 56.048 0.019 0.000 1.213 364 H CB 0.831 30.602 29.762 0.016 0.000 1.451 364 H HN 0.049 nan 8.280 nan 0.000 0.484 365 L N -0.542 120.748 121.223 0.112 0.000 2.388 365 L HA 0.031 4.371 4.340 -0.001 0.000 0.209 365 L C 1.402 178.333 176.870 0.100 0.000 1.061 365 L CA 0.169 55.063 54.840 0.091 0.000 0.834 365 L CB 0.045 42.135 42.059 0.052 0.000 1.029 365 L HN 0.178 nan 8.230 nan 0.000 0.473 366 L N 0.788 122.047 121.223 0.059 0.000 2.129 366 L HA -0.139 4.201 4.340 -0.001 0.000 0.212 366 L C -0.427 176.568 176.870 0.209 0.000 1.087 366 L CA 2.222 57.132 54.840 0.116 0.000 0.757 366 L CB -1.472 40.611 42.059 0.040 0.000 0.896 366 L HN 0.113 nan 8.230 nan 0.000 0.434 367 P HA -0.133 nan 4.420 nan 0.000 0.215 367 P C 2.029 179.392 177.300 0.104 0.000 1.157 367 P CA 1.244 64.403 63.100 0.098 0.000 0.859 367 P CB 0.075 31.813 31.700 0.063 0.000 0.786 368 L N -2.245 119.048 121.223 0.116 0.000 2.093 368 L HA -0.154 4.186 4.340 -0.001 0.000 0.208 368 L C 2.411 179.356 176.870 0.125 0.000 1.085 368 L CA 1.217 56.116 54.840 0.099 0.000 0.755 368 L CB -1.029 41.088 42.059 0.097 0.000 0.904 368 L HN -0.048 nan 8.230 nan 0.000 0.435 369 F N 1.015 120.970 119.950 0.008 0.000 2.091 369 F HA -0.272 4.255 4.527 -0.001 0.000 0.299 369 F C 2.125 177.924 175.800 -0.001 0.000 1.103 369 F CA 1.711 59.711 58.000 0.000 0.000 1.228 369 F CB -0.315 38.683 39.000 -0.003 0.000 0.984 369 F HN -0.120 nan 8.300 nan 0.000 0.477 370 L N -0.021 121.151 121.223 -0.086 0.000 2.072 370 L HA -0.110 4.230 4.340 -0.001 0.000 0.205 370 L C 2.857 179.642 176.870 -0.142 0.000 1.079 370 L CA 1.053 55.761 54.840 -0.219 0.000 0.752 370 L CB -1.200 40.835 42.059 -0.040 0.000 0.906 370 L HN 0.265 nan 8.230 nan 0.000 0.436 371 A N -0.544 122.244 122.820 -0.054 0.000 2.032 371 A HA -0.253 4.066 4.320 -0.001 0.000 0.221 371 A C 2.188 179.739 177.584 -0.056 0.000 1.165 371 A CA 1.681 53.697 52.037 -0.036 0.000 0.645 371 A CB -0.346 18.651 19.000 -0.004 0.000 0.807 371 A HN 0.543 nan 8.150 nan 0.000 0.453 372 Q N -1.772 117.980 119.800 -0.080 0.000 2.297 372 Q HA 0.118 4.457 4.340 -0.001 0.000 0.203 372 Q C 1.601 177.523 176.000 -0.131 0.000 0.931 372 Q CA 0.423 56.178 55.803 -0.081 0.000 0.885 372 Q CB -0.077 28.630 28.738 -0.052 0.000 0.991 372 Q HN 0.510 nan 8.270 nan 0.000 0.498 373 L N 0.951 122.033 121.223 -0.235 0.000 2.549 373 L HA -0.071 4.269 4.340 -0.001 0.000 0.229 373 L C 0.374 177.156 176.870 -0.147 0.000 1.158 373 L CA 1.556 56.230 54.840 -0.276 0.000 0.842 373 L CB 0.187 41.938 42.059 -0.513 0.000 0.952 373 L HN -0.062 nan 8.230 nan 0.000 0.452 374 K N -0.732 119.606 120.400 -0.103 0.000 3.123 374 K HA 0.205 4.525 4.320 -0.001 0.000 0.209 374 K C -0.614 175.966 176.600 -0.033 0.000 1.132 374 K CA -0.194 56.064 56.287 -0.049 0.000 0.992 374 K CB 0.609 33.082 32.500 -0.044 0.000 0.773 374 K HN 0.065 nan 8.250 nan 0.000 0.458 375 D N 0.641 121.021 120.400 -0.034 0.000 2.277 375 D HA 0.085 4.725 4.640 -0.001 0.000 0.250 375 D C 0.804 177.097 176.300 -0.011 0.000 1.032 375 D CA -0.282 53.704 54.000 -0.022 0.000 0.947 375 D CB 1.301 42.086 40.800 -0.026 0.000 1.159 375 D HN 0.091 nan 8.370 nan 0.000 0.460 376 E N 0.579 120.773 120.200 -0.010 0.000 1.999 376 E HA -0.094 4.256 4.350 -0.001 0.000 0.194 376 E C 0.796 177.394 176.600 -0.003 0.000 0.995 376 E CA 0.431 56.826 56.400 -0.008 0.000 0.825 376 E CB -0.373 29.320 29.700 -0.012 0.000 0.777 376 E HN 0.371 nan 8.360 nan 0.000 0.459 377 C N 3.974 123.272 119.300 -0.004 0.000 2.031 377 C HA -0.033 4.427 4.460 -0.001 0.000 0.424 377 C C -1.318 173.677 174.990 0.010 0.000 1.497 377 C CA -1.267 57.752 59.018 0.001 0.000 1.458 377 C CB -0.406 27.334 27.740 0.001 0.000 2.692 377 C HN 0.240 nan 8.230 nan 0.000 0.619 378 P HA -0.137 nan 4.420 nan 0.000 0.218 378 P C 1.419 178.748 177.300 0.049 0.000 1.146 378 P CA 1.452 64.583 63.100 0.052 0.000 0.813 378 P CB 0.007 31.735 31.700 0.048 0.000 0.778 379 E N -0.461 119.756 120.200 0.028 0.000 2.051 379 E HA -0.113 4.237 4.350 -0.001 0.000 0.192 379 E C 2.116 178.718 176.600 0.004 0.000 0.991 379 E CA 1.077 57.489 56.400 0.020 0.000 0.799 379 E CB -1.171 28.538 29.700 0.015 0.000 0.748 379 E HN 0.129 nan 8.360 nan 0.000 0.449 380 V N 2.621 122.533 119.914 -0.003 0.000 2.231 380 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 380 V C 2.619 178.688 176.094 -0.041 0.000 1.054 380 V CA 2.597 64.888 62.300 -0.016 0.000 1.015 380 V CB -0.700 31.114 31.823 -0.016 0.000 0.638 380 V HN 0.355 nan 8.190 nan 0.000 0.444 381 R N -0.144 120.324 120.500 -0.054 0.000 2.235 381 R HA -0.075 4.265 4.340 -0.001 0.000 0.213 381 R C 2.077 178.253 176.300 -0.207 0.000 1.059 381 R CA 1.157 57.180 56.100 -0.129 0.000 0.997 381 R CB -0.523 29.704 30.300 -0.121 0.000 0.884 381 R HN 0.406 nan 8.270 nan 0.000 0.462 382 L N 1.903 123.052 121.223 -0.123 0.000 2.072 382 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 382 L C 1.569 178.392 176.870 -0.080 0.000 1.079 382 L CA 1.582 56.349 54.840 -0.123 0.000 0.752 382 L CB -0.548 41.518 42.059 0.012 0.000 0.906 382 L HN 0.157 nan 8.230 nan 0.000 0.436 383 N N -0.232 118.444 118.700 -0.040 0.000 2.166 383 N HA -0.153 4.587 4.740 -0.001 0.000 0.186 383 N C 1.813 177.319 175.510 -0.006 0.000 1.019 383 N CA 1.367 54.411 53.050 -0.010 0.000 0.856 383 N CB -0.136 38.353 38.487 0.005 0.000 0.993 383 N HN 0.269 nan 8.380 nan 0.000 0.426 384 I N 1.345 121.900 120.570 -0.025 0.000 2.252 384 I HA -0.150 4.019 4.170 -0.001 0.000 0.245 384 I C 1.988 178.121 176.117 0.027 0.000 1.102 384 I CA 0.767 62.077 61.300 0.018 0.000 1.385 384 I CB -0.690 37.284 38.000 -0.043 0.000 1.064 384 I HN 0.037 nan 8.210 nan 0.000 0.414 385 I N 0.455 120.976 120.570 -0.081 0.000 2.546 385 I HA -0.143 4.027 4.170 -0.001 0.000 0.255 385 I C 2.392 178.496 176.117 -0.022 0.000 1.163 385 I CA 0.993 62.241 61.300 -0.086 0.000 1.457 385 I CB -1.134 36.687 38.000 -0.297 0.000 1.092 385 I HN 0.125 nan 8.210 nan 0.000 0.434 386 S N 0.970 116.659 115.700 -0.018 0.000 2.489 386 S HA 0.040 4.510 4.470 -0.001 0.000 0.228 386 S C 0.917 175.526 174.600 0.015 0.000 0.995 386 S CA 0.474 58.676 58.200 0.004 0.000 0.934 386 S CB -0.125 63.079 63.200 0.007 0.000 0.771 386 S HN 0.462 nan 8.310 nan 0.000 0.522 387 N N 1.187 119.901 118.700 0.024 0.000 2.818 387 N HA 0.331 5.071 4.740 -0.001 0.000 0.301 387 N C -0.172 175.351 175.510 0.021 0.000 1.821 387 N CA 0.022 53.085 53.050 0.021 0.000 0.930 387 N CB 0.954 39.456 38.487 0.024 0.000 1.263 387 N HN 0.263 nan 8.380 nan 0.000 0.487 388 L N -0.587 120.645 121.223 0.014 0.000 2.513 388 L HA 0.106 4.445 4.340 -0.001 0.000 0.222 388 L C 1.733 178.574 176.870 -0.049 0.000 1.096 388 L CA 0.143 54.975 54.840 -0.012 0.000 0.857 388 L CB 0.198 42.266 42.059 0.015 0.000 1.026 388 L HN 0.079 nan 8.230 nan 0.000 0.469 389 D N -0.120 120.262 120.400 -0.030 0.000 2.133 389 D HA -0.280 4.359 4.640 -0.001 0.000 0.192 389 D C 2.101 178.372 176.300 -0.048 0.000 1.001 389 D CA 1.590 55.569 54.000 -0.036 0.000 0.844 389 D CB 0.056 40.844 40.800 -0.021 0.000 0.944 389 D HN 0.361 nan 8.370 nan 0.000 0.447 390 C N -0.159 119.113 119.300 -0.047 0.000 2.505 390 C HA -0.017 4.443 4.460 -0.001 0.000 0.279 390 C C 2.842 177.786 174.990 -0.076 0.000 1.316 390 C CA 0.200 59.187 59.018 -0.052 0.000 1.720 390 C CB -0.834 26.882 27.740 -0.040 0.000 2.050 390 C HN 0.151 nan 8.230 nan 0.000 0.493 391 V N 1.916 121.770 119.914 -0.101 0.000 2.469 391 V HA -0.198 3.922 4.120 -0.001 0.000 0.251 391 V C 2.263 178.264 176.094 -0.156 0.000 1.064 391 V CA 2.432 64.641 62.300 -0.152 0.000 1.066 391 V CB -1.048 30.625 31.823 -0.251 0.000 0.667 391 V HN 0.641 nan 8.190 nan 0.000 0.461 392 N N 0.627 119.243 118.700 -0.139 0.000 2.300 392 N HA -0.131 4.609 4.740 -0.001 0.000 0.179 392 N C 1.675 177.123 175.510 -0.102 0.000 1.016 392 N CA 1.190 54.158 53.050 -0.137 0.000 0.876 392 N CB -0.092 38.313 38.487 -0.135 0.000 0.979 392 N HN 0.609 nan 8.380 nan 0.000 0.432 393 E N -0.961 119.191 120.200 -0.079 0.000 2.489 393 E HA 0.042 4.391 4.350 -0.001 0.000 0.193 393 E C 0.996 177.562 176.600 -0.056 0.000 1.057 393 E CA 0.011 56.375 56.400 -0.060 0.000 0.866 393 E CB 0.621 30.293 29.700 -0.046 0.000 0.916 393 E HN 0.182 nan 8.360 nan 0.000 0.500 394 V N 1.026 120.899 119.914 -0.068 0.000 2.806 394 V HA 0.108 4.227 4.120 -0.001 0.000 0.239 394 V C 1.011 177.067 176.094 -0.063 0.000 1.113 394 V CA 0.386 62.650 62.300 -0.060 0.000 1.137 394 V CB 0.199 31.985 31.823 -0.062 0.000 0.865 394 V HN 0.215 nan 8.190 nan 0.000 0.482 395 I N -1.003 119.517 120.570 -0.083 0.000 2.924 395 I HA 0.817 4.987 4.170 -0.001 0.000 0.316 395 I C 0.575 176.643 176.117 -0.081 0.000 1.014 395 I CA -0.692 60.560 61.300 -0.079 0.000 1.106 395 I CB 1.253 39.195 38.000 -0.097 0.000 1.311 395 I HN 0.153 nan 8.210 nan 0.000 0.502 396 G N 1.803 110.562 108.800 -0.067 0.000 2.441 396 G HA2 0.183 4.142 3.960 -0.001 0.000 0.243 396 G HA3 0.183 4.142 3.960 -0.001 0.000 0.243 396 G C 0.449 175.296 174.900 -0.087 0.000 1.281 396 G CA -0.329 44.733 45.100 -0.063 0.000 0.854 396 G HN 0.830 nan 8.290 nan 0.000 0.560 397 I N 1.548 122.059 120.570 -0.098 0.000 2.399 397 I HA -0.218 3.952 4.170 -0.001 0.000 0.254 397 I C 2.636 178.680 176.117 -0.123 0.000 1.146 397 I CA 1.600 62.803 61.300 -0.161 0.000 1.412 397 I CB -0.044 37.857 38.000 -0.165 0.000 1.076 397 I HN 0.727 nan 8.210 nan 0.000 0.432 398 R N -0.683 119.791 120.500 -0.045 0.000 2.119 398 R HA -0.022 4.317 4.340 -0.001 0.000 0.222 398 R C 2.046 178.342 176.300 -0.007 0.000 1.088 398 R CA 0.672 56.776 56.100 0.005 0.000 0.984 398 R CB -0.894 29.418 30.300 0.020 0.000 0.884 398 R HN 0.329 nan 8.270 nan 0.000 0.447 399 Q N 0.960 120.740 119.800 -0.035 0.000 2.167 399 Q HA -0.049 4.291 4.340 -0.001 0.000 0.202 399 Q C 2.001 177.971 176.000 -0.051 0.000 0.970 399 Q CA 1.061 56.842 55.803 -0.037 0.000 0.855 399 Q CB -0.030 28.678 28.738 -0.050 0.000 0.911 399 Q HN 0.340 nan 8.270 nan 0.000 0.438 400 L N -0.046 121.123 121.223 -0.091 0.000 2.068 400 L HA -0.020 4.319 4.340 -0.001 0.000 0.204 400 L C 2.293 179.146 176.870 -0.029 0.000 1.076 400 L CA 1.838 56.607 54.840 -0.119 0.000 0.753 400 L CB -0.855 41.085 42.059 -0.199 0.000 0.910 400 L HN 0.032 nan 8.230 nan 0.000 0.439 401 S N -1.046 114.637 115.700 -0.029 0.000 2.419 401 S HA -0.283 4.187 4.470 -0.001 0.000 0.235 401 S C 2.016 176.694 174.600 0.129 0.000 1.019 401 S CA 1.609 59.878 58.200 0.115 0.000 0.982 401 S CB -0.352 62.992 63.200 0.240 0.000 0.789 401 S HN 0.695 nan 8.310 nan 0.000 0.490 402 Q N -0.445 119.400 119.800 0.075 0.000 2.378 402 Q HA 0.113 4.452 4.340 -0.001 0.000 0.205 402 Q C 1.659 177.707 176.000 0.080 0.000 0.954 402 Q CA 1.069 56.912 55.803 0.068 0.000 0.901 402 Q CB -0.048 28.713 28.738 0.038 0.000 0.981 402 Q HN 0.518 nan 8.270 nan 0.000 0.483 403 S N -1.198 114.564 115.700 0.103 0.000 2.632 403 S HA 0.122 4.591 4.470 -0.001 0.000 0.237 403 S C 0.879 175.644 174.600 0.275 0.000 1.037 403 S CA -0.247 58.049 58.200 0.160 0.000 1.009 403 S CB 0.374 63.661 63.200 0.145 0.000 0.974 403 S HN 0.425 nan 8.310 nan 0.000 0.544 404 L N 0.490 121.868 121.223 0.260 0.000 2.519 404 L HA 0.534 4.874 4.340 -0.001 0.000 0.194 404 L C 1.649 178.637 176.870 0.197 0.000 1.072 404 L CA 0.984 56.002 54.840 0.296 0.000 0.845 404 L CB -0.949 41.321 42.059 0.352 0.000 1.138 404 L HN 0.260 nan 8.230 nan 0.000 0.487 405 L N 1.038 122.382 121.223 0.201 0.000 2.064 405 L HA -0.160 4.180 4.340 -0.001 0.000 0.216 405 L C -0.634 176.303 176.870 0.112 0.000 1.077 405 L CA 2.492 57.434 54.840 0.170 0.000 0.766 405 L CB -1.583 40.576 42.059 0.167 0.000 0.890 405 L HN 0.228 nan 8.230 nan 0.000 0.435 406 P HA -0.049 nan 4.420 nan 0.000 0.220 406 P C 1.477 178.817 177.300 0.066 0.000 1.152 406 P CA 1.542 64.683 63.100 0.068 0.000 0.812 406 P CB -0.076 31.660 31.700 0.059 0.000 0.792 407 A N -0.600 122.262 122.820 0.069 0.000 1.902 407 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 407 A C 2.110 179.744 177.584 0.082 0.000 1.181 407 A CA 1.346 53.411 52.037 0.047 0.000 0.623 407 A CB -1.517 17.480 19.000 -0.005 0.000 0.818 407 A HN 0.083 nan 8.150 nan 0.000 0.443 408 I N -0.635 120.004 120.570 0.116 0.000 2.094 408 I HA -0.201 3.969 4.170 -0.001 0.000 0.234 408 I C 2.308 178.511 176.117 0.142 0.000 1.063 408 I CA 1.253 62.652 61.300 0.166 0.000 1.328 408 I CB -0.668 37.447 38.000 0.191 0.000 1.058 408 I HN 0.118 nan 8.210 nan 0.000 0.400 409 V N 0.960 120.931 119.914 0.095 0.000 2.439 409 V HA -0.341 3.778 4.120 -0.001 0.000 0.253 409 V C 2.458 178.592 176.094 0.066 0.000 1.074 409 V CA 2.249 64.582 62.300 0.055 0.000 1.076 409 V CB -0.823 31.009 31.823 0.016 0.000 0.664 409 V HN 0.519 nan 8.190 nan 0.000 0.461 410 E N -0.409 119.833 120.200 0.069 0.000 2.208 410 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 410 E C 2.023 178.668 176.600 0.075 0.000 0.988 410 E CA 0.800 57.236 56.400 0.060 0.000 0.828 410 E CB 0.056 29.786 29.700 0.049 0.000 0.763 410 E HN 0.636 nan 8.360 nan 0.000 0.478 411 L N -0.412 120.872 121.223 0.102 0.000 2.408 411 L HA 0.218 4.558 4.340 -0.001 0.000 0.215 411 L C 2.430 179.392 176.870 0.153 0.000 1.081 411 L CA 0.510 55.414 54.840 0.108 0.000 0.840 411 L CB -0.114 42.014 42.059 0.115 0.000 1.002 411 L HN 0.071 nan 8.230 nan 0.000 0.468 412 A N 0.317 123.275 122.820 0.230 0.000 2.172 412 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 412 A C 0.728 178.532 177.584 0.367 0.000 1.154 412 A CA 0.982 53.277 52.037 0.430 0.000 0.701 412 A CB -0.256 18.993 19.000 0.416 0.000 0.789 412 A HN 0.482 nan 8.150 nan 0.000 0.465 413 E N -0.176 120.138 120.200 0.190 0.000 3.117 413 E HA 0.321 4.670 4.350 -0.001 0.000 0.262 413 E C -1.435 175.220 176.600 0.092 0.000 1.202 413 E CA -0.268 56.211 56.400 0.131 0.000 0.853 413 E CB 0.634 30.377 29.700 0.072 0.000 1.426 413 E HN 0.484 nan 8.360 nan 0.000 0.387 414 D N -0.100 120.355 120.400 0.092 0.000 2.654 414 D HA 0.614 5.254 4.640 -0.001 0.000 0.255 414 D C 0.994 177.332 176.300 0.062 0.000 1.101 414 D CA -0.264 53.774 54.000 0.064 0.000 1.116 414 D CB 1.299 42.129 40.800 0.051 0.000 1.348 414 D HN 0.138 nan 8.370 nan 0.000 0.609 415 A N 0.280 123.129 122.820 0.047 0.000 2.021 415 A HA -0.077 4.242 4.320 -0.001 0.000 0.206 415 A C 0.226 177.852 177.584 0.069 0.000 1.210 415 A CA 1.290 53.357 52.037 0.050 0.000 0.733 415 A CB -0.913 18.106 19.000 0.031 0.000 0.839 415 A HN 0.583 nan 8.150 nan 0.000 0.495 416 K N 1.069 121.492 120.400 0.040 0.000 2.326 416 K HA 0.194 4.514 4.320 -0.001 0.000 0.275 416 K C 0.091 176.716 176.600 0.041 0.000 1.018 416 K CA -0.212 56.099 56.287 0.039 0.000 0.962 416 K CB 0.426 32.883 32.500 -0.072 0.000 0.953 416 K HN 0.721 nan 8.250 nan 0.000 0.475 417 W N 2.855 124.142 121.300 -0.021 0.000 2.126 417 W HA 0.175 4.834 4.660 -0.001 0.000 0.346 417 W C 0.325 176.806 176.519 -0.062 0.000 1.279 417 W CA -0.480 56.833 57.345 -0.053 0.000 1.259 417 W CB 0.202 29.634 29.460 -0.046 0.000 1.133 417 W HN 0.734 nan 8.180 nan 0.000 0.592 418 R N -0.480 119.814 120.500 -0.342 0.000 1.485 418 R HA -0.209 4.131 4.340 -0.001 0.000 0.129 418 R C 1.332 177.452 176.300 -0.300 0.000 0.870 418 R CA 1.203 56.957 56.100 -0.577 0.000 1.889 418 R CB -1.794 28.055 30.300 -0.752 0.000 0.713 418 R HN 0.435 nan 8.270 nan 0.000 0.664 419 V N 2.872 122.653 119.914 -0.222 0.000 2.453 419 V HA -0.101 4.019 4.120 -0.001 0.000 0.247 419 V C 2.489 178.505 176.094 -0.129 0.000 1.048 419 V CA 2.133 64.350 62.300 -0.140 0.000 1.049 419 V CB -0.502 31.272 31.823 -0.081 0.000 0.672 419 V HN 0.249 nan 8.190 nan 0.000 0.457 420 R N -0.383 120.056 120.500 -0.102 0.000 2.073 420 R HA -0.072 4.268 4.340 -0.001 0.000 0.229 420 R C 2.279 178.395 176.300 -0.306 0.000 1.120 420 R CA 1.314 57.339 56.100 -0.124 0.000 0.967 420 R CB -0.594 29.684 30.300 -0.037 0.000 0.862 420 R HN 0.408 nan 8.270 nan 0.000 0.436 421 L N 1.163 122.247 121.223 -0.232 0.000 2.079 421 L HA -0.119 4.221 4.340 -0.001 0.000 0.210 421 L C 2.277 178.943 176.870 -0.340 0.000 1.081 421 L CA 1.953 56.633 54.840 -0.265 0.000 0.752 421 L CB -0.561 41.437 42.059 -0.101 0.000 0.896 421 L HN 0.107 nan 8.230 nan 0.000 0.433 422 A N -0.063 122.561 122.820 -0.326 0.000 1.908 422 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 422 A C 2.079 179.201 177.584 -0.770 0.000 1.181 422 A CA 1.958 53.744 52.037 -0.419 0.000 0.627 422 A CB -0.818 18.002 19.000 -0.300 0.000 0.818 422 A HN 0.486 nan 8.150 nan 0.000 0.445 423 I N -0.103 120.104 120.570 -0.604 0.000 2.830 423 I HA -0.119 4.051 4.170 -0.001 0.000 0.263 423 I C 2.028 177.927 176.117 -0.364 0.000 1.230 423 I CA 0.857 61.834 61.300 -0.539 0.000 1.480 423 I CB -1.139 36.832 38.000 -0.047 0.000 1.095 423 I HN 0.324 nan 8.210 nan 0.000 0.455 424 I N 0.734 120.985 120.570 -0.531 0.000 2.761 424 I HA -0.161 4.008 4.170 -0.001 0.000 0.261 424 I C 1.685 177.711 176.117 -0.150 0.000 1.198 424 I CA 0.867 61.896 61.300 -0.452 0.000 1.482 424 I CB -0.182 37.431 38.000 -0.645 0.000 1.100 424 I HN 0.212 nan 8.210 nan 0.000 0.445 425 E N -0.293 119.771 120.200 -0.227 0.000 2.489 425 E HA -0.059 4.290 4.350 -0.001 0.000 0.193 425 E C 0.968 177.624 176.600 0.094 0.000 1.057 425 E CA 0.247 56.599 56.400 -0.081 0.000 0.866 425 E CB 0.259 29.892 29.700 -0.111 0.000 0.916 425 E HN 0.454 nan 8.360 nan 0.000 0.500 426 Y N -0.536 119.809 120.300 0.074 0.000 2.478 426 Y HA 0.116 4.665 4.550 -0.001 0.000 0.261 426 Y C 1.861 177.848 175.900 0.145 0.000 1.127 426 Y CA -0.102 58.056 58.100 0.098 0.000 1.288 426 Y CB 0.013 38.541 38.460 0.114 0.000 1.084 426 Y HN 0.080 nan 8.280 nan 0.000 0.530 427 M N 0.763 120.558 119.600 0.324 0.000 2.067 427 M HA -0.102 4.378 4.480 -0.001 0.000 0.260 427 M C -0.339 176.090 176.300 0.215 0.000 1.069 427 M CA 1.525 57.032 55.300 0.346 0.000 1.117 427 M CB -2.380 30.475 32.600 0.425 0.000 1.334 427 M HN 0.053 nan 8.290 nan 0.000 0.407 428 P HA -0.114 nan 4.420 nan 0.000 0.220 428 P C 1.927 179.203 177.300 -0.040 0.000 1.148 428 P CA 1.219 64.294 63.100 -0.041 0.000 0.803 428 P CB -0.129 31.546 31.700 -0.041 0.000 0.782 429 L N -0.806 120.452 121.223 0.058 0.000 2.007 429 L HA -0.087 4.253 4.340 -0.001 0.000 0.205 429 L C 2.881 179.802 176.870 0.085 0.000 1.073 429 L CA 1.152 56.027 54.840 0.058 0.000 0.744 429 L CB -1.018 41.097 42.059 0.094 0.000 0.898 429 L HN -0.125 nan 8.230 nan 0.000 0.435 430 L N -0.332 120.994 121.223 0.171 0.000 2.079 430 L HA -0.246 4.094 4.340 -0.001 0.000 0.210 430 L C 2.823 179.846 176.870 0.254 0.000 1.081 430 L CA 1.137 56.117 54.840 0.234 0.000 0.752 430 L CB -0.835 41.428 42.059 0.341 0.000 0.896 430 L HN 0.292 nan 8.230 nan 0.000 0.433 431 A N 0.698 123.631 122.820 0.188 0.000 1.828 431 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 431 A C 2.376 179.960 177.584 -0.000 0.000 1.203 431 A CA 1.737 53.832 52.037 0.097 0.000 0.614 431 A CB -1.516 17.232 19.000 -0.419 0.000 0.844 431 A HN 0.406 nan 8.150 nan 0.000 0.445 432 G N -1.447 107.242 108.800 -0.186 0.000 2.537 432 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.220 432 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.220 432 G C 1.501 176.383 174.900 -0.029 0.000 1.111 432 G CA 1.145 46.153 45.100 -0.154 0.000 0.748 432 G HN 0.672 nan 8.290 nan 0.000 0.564 433 Q N -0.861 118.954 119.800 0.026 0.000 2.389 433 Q HA 0.264 4.603 4.340 -0.001 0.000 0.198 433 Q C 2.476 178.505 176.000 0.049 0.000 0.967 433 Q CA -0.018 55.804 55.803 0.032 0.000 0.863 433 Q CB -0.115 28.643 28.738 0.033 0.000 0.987 433 Q HN 0.387 nan 8.270 nan 0.000 0.557 434 L N 0.721 122.000 121.223 0.093 0.000 2.549 434 L HA 0.051 4.390 4.340 -0.001 0.000 0.229 434 L C 0.759 177.724 176.870 0.158 0.000 1.158 434 L CA 0.447 55.325 54.840 0.063 0.000 0.842 434 L CB -0.647 41.446 42.059 0.058 0.000 0.952 434 L HN 0.358 nan 8.230 nan 0.000 0.452 435 G N -0.732 108.198 108.800 0.217 0.000 2.705 435 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.686 435 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.686 435 G C 0.214 175.280 174.900 0.276 0.000 1.285 435 G CA -0.348 44.890 45.100 0.231 0.000 0.800 435 G HN -0.174 nan 8.290 nan 0.000 0.611 436 V N 0.643 120.620 119.914 0.106 0.000 2.469 436 V HA -0.094 4.025 4.120 -0.001 0.000 0.251 436 V C 2.369 178.352 176.094 -0.184 0.000 1.064 436 V CA 3.215 65.225 62.300 -0.483 0.000 1.066 436 V CB -0.176 31.215 31.823 -0.720 0.000 0.667 436 V HN 0.917 nan 8.190 nan 0.000 0.461 437 E N -1.226 118.976 120.200 0.004 0.000 2.152 437 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 437 E C 1.986 178.661 176.600 0.126 0.000 0.983 437 E CA 1.329 57.763 56.400 0.057 0.000 0.818 437 E CB -0.218 29.524 29.700 0.070 0.000 0.758 437 E HN 0.716 nan 8.360 nan 0.000 0.467 438 F N 0.237 120.217 119.950 0.050 0.000 2.163 438 F HA -0.087 4.439 4.527 -0.001 0.000 0.297 438 F C 1.800 177.651 175.800 0.085 0.000 1.094 438 F CA 1.025 59.064 58.000 0.065 0.000 1.290 438 F CB -0.470 38.583 39.000 0.088 0.000 1.017 438 F HN 0.051 nan 8.300 nan 0.000 0.483 439 F N 1.259 121.192 119.950 -0.029 0.000 2.171 439 F HA -0.184 4.343 4.527 -0.001 0.000 0.300 439 F C 2.042 177.787 175.800 -0.091 0.000 1.090 439 F CA 1.997 59.954 58.000 -0.071 0.000 1.293 439 F CB -0.560 38.486 39.000 0.076 0.000 1.013 439 F HN -0.094 nan 8.300 nan 0.000 0.486 440 D N -0.137 120.295 120.400 0.054 0.000 2.219 440 D HA -0.151 4.489 4.640 -0.001 0.000 0.205 440 D C 2.103 178.326 176.300 -0.128 0.000 0.970 440 D CA 1.174 55.197 54.000 0.039 0.000 0.851 440 D CB -0.140 40.732 40.800 0.121 0.000 0.943 440 D HN 0.567 nan 8.370 nan 0.000 0.488 441 E N -0.129 119.957 120.200 -0.191 0.000 2.065 441 E HA -0.037 4.312 4.350 -0.001 0.000 0.191 441 E C 1.140 177.548 176.600 -0.320 0.000 0.960 441 E CA 0.451 56.725 56.400 -0.210 0.000 0.824 441 E CB 0.362 29.977 29.700 -0.141 0.000 0.793 441 E HN -0.126 nan 8.360 nan 0.000 0.459 442 K N 0.076 120.157 120.400 -0.531 0.000 2.358 442 K HA 0.204 4.523 4.320 -0.001 0.000 0.197 442 K C 1.589 177.866 176.600 -0.539 0.000 1.025 442 K CA 0.148 56.110 56.287 -0.542 0.000 1.104 442 K CB 1.005 33.096 32.500 -0.682 0.000 0.855 442 K HN 0.267 nan 8.250 nan 0.000 0.531 443 L N -0.796 120.027 121.223 -0.667 0.000 2.766 443 L HA 0.147 4.487 4.340 -0.001 0.000 0.241 443 L C 1.720 178.103 176.870 -0.813 0.000 1.080 443 L CA 0.031 54.446 54.840 -0.708 0.000 0.909 443 L CB -0.079 41.518 42.059 -0.770 0.000 1.277 443 L HN -0.005 nan 8.230 nan 0.000 0.510 444 N N 0.758 118.942 118.700 -0.859 0.000 2.272 444 N HA -0.193 4.546 4.740 -0.001 0.000 0.185 444 N C 1.919 177.246 175.510 -0.305 0.000 1.014 444 N CA 1.672 54.429 53.050 -0.488 0.000 0.870 444 N CB 0.169 38.521 38.487 -0.224 0.000 0.975 444 N HN 0.352 nan 8.380 nan 0.000 0.433 445 S N -0.154 115.350 115.700 -0.327 0.000 2.348 445 S HA -0.124 4.346 4.470 -0.001 0.000 0.221 445 S C 1.863 176.253 174.600 -0.351 0.000 1.033 445 S CA 0.929 58.963 58.200 -0.277 0.000 1.010 445 S CB -0.733 62.319 63.200 -0.247 0.000 0.891 445 S HN 0.197 nan 8.310 nan 0.000 0.442 446 L N 1.268 122.211 121.223 -0.467 0.000 2.187 446 L HA -0.027 4.313 4.340 -0.001 0.000 0.213 446 L C 2.638 178.907 176.870 -1.000 0.000 1.100 446 L CA 0.948 55.325 54.840 -0.772 0.000 0.765 446 L CB -1.005 40.567 42.059 -0.810 0.000 0.904 446 L HN 0.472 nan 8.230 nan 0.000 0.437 447 C N -1.482 117.528 119.300 -0.483 0.000 2.485 447 C HA 0.002 4.462 4.460 -0.001 0.000 0.277 447 C C 2.683 177.680 174.990 0.012 0.000 1.376 447 C CA 0.165 59.136 59.018 -0.078 0.000 1.759 447 C CB -0.451 27.407 27.740 0.197 0.000 1.970 447 C HN 0.479 nan 8.230 nan 0.000 0.509 448 M N 0.917 120.461 119.600 -0.094 0.000 2.287 448 M HA 0.050 4.530 4.480 -0.001 0.000 0.266 448 M C 2.527 178.775 176.300 -0.087 0.000 1.079 448 M CA 1.465 56.730 55.300 -0.059 0.000 1.146 448 M CB -1.539 31.009 32.600 -0.087 0.000 1.374 448 M HN 0.343 nan 8.290 nan 0.000 0.435 449 A N -0.310 122.396 122.820 -0.189 0.000 1.978 449 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 449 A C 1.821 179.368 177.584 -0.061 0.000 1.170 449 A CA 1.144 53.070 52.037 -0.184 0.000 0.636 449 A CB -0.910 17.912 19.000 -0.297 0.000 0.810 449 A HN 0.598 nan 8.150 nan 0.000 0.448 450 W N -0.423 120.851 121.300 -0.044 0.000 2.678 450 W HA 0.146 4.805 4.660 -0.001 0.000 0.256 450 W C 1.559 178.049 176.519 -0.050 0.000 1.280 450 W CA 0.076 57.397 57.345 -0.040 0.000 1.345 450 W CB -0.792 28.658 29.460 -0.016 0.000 1.118 450 W HN 0.269 nan 8.180 nan 0.000 0.629 451 L N -0.240 121.077 121.223 0.156 0.000 2.549 451 L HA -0.079 4.260 4.340 -0.001 0.000 0.229 451 L C 1.497 178.350 176.870 -0.029 0.000 1.158 451 L CA 0.594 55.472 54.840 0.064 0.000 0.842 451 L CB -0.280 41.796 42.059 0.029 0.000 0.952 451 L HN -0.276 nan 8.230 nan 0.000 0.452 452 V N -1.472 118.410 119.914 -0.053 0.000 3.199 452 V HA 0.098 4.218 4.120 -0.001 0.000 0.331 452 V C 0.176 176.264 176.094 -0.009 0.000 1.446 452 V CA -0.308 61.874 62.300 -0.196 0.000 1.120 452 V CB 0.541 32.156 31.823 -0.346 0.000 1.051 452 V HN 0.241 nan 8.190 nan 0.000 0.495 453 D N -0.667 119.771 120.400 0.063 0.000 2.364 453 D HA -0.000 4.639 4.640 -0.001 0.000 0.236 453 D C 1.333 177.741 176.300 0.180 0.000 1.221 453 D CA 0.575 54.624 54.000 0.081 0.000 0.891 453 D CB 0.555 41.413 40.800 0.096 0.000 1.190 453 D HN 0.501 nan 8.370 nan 0.000 0.449 454 H N -0.124 118.988 119.070 0.071 0.000 2.395 454 H HA 0.058 4.614 4.556 -0.001 0.000 0.299 454 H C 0.280 175.613 175.328 0.008 0.000 1.070 454 H CA -0.059 56.024 56.048 0.058 0.000 1.356 454 H CB 0.323 30.117 29.762 0.053 0.000 1.401 454 H HN 0.057 nan 8.280 nan 0.000 0.524 455 V N 1.952 121.907 119.914 0.068 0.000 2.488 455 V HA -0.132 3.987 4.120 -0.001 0.000 0.277 455 V C 0.880 176.904 176.094 -0.117 0.000 1.046 455 V CA 0.227 62.452 62.300 -0.125 0.000 0.986 455 V CB 0.678 32.287 31.823 -0.357 0.000 0.989 455 V HN 0.354 nan 8.190 nan 0.000 0.475 456 Y N 5.537 125.714 120.300 -0.204 0.000 2.097 456 Y HA -0.284 4.266 4.550 -0.001 0.000 0.282 456 Y C 2.264 178.061 175.900 -0.172 0.000 1.152 456 Y CA 2.293 60.308 58.100 -0.142 0.000 1.136 456 Y CB -0.118 38.264 38.460 -0.129 0.000 0.975 456 Y HN 0.651 nan 8.280 nan 0.000 0.498 457 A N 0.772 123.282 122.820 -0.516 0.000 1.958 457 A HA -0.234 4.086 4.320 -0.001 0.000 0.221 457 A C 2.116 179.481 177.584 -0.365 0.000 1.178 457 A CA 2.060 53.787 52.037 -0.517 0.000 0.642 457 A CB -0.988 17.677 19.000 -0.558 0.000 0.816 457 A HN 0.591 nan 8.150 nan 0.000 0.453 458 I N -0.566 119.828 120.570 -0.294 0.000 2.315 458 I HA -0.170 3.999 4.170 -0.001 0.000 0.248 458 I C 2.563 178.572 176.117 -0.180 0.000 1.117 458 I CA 1.315 62.499 61.300 -0.193 0.000 1.404 458 I CB -1.188 36.736 38.000 -0.127 0.000 1.071 458 I HN 0.390 nan 8.210 nan 0.000 0.419 459 R N 0.418 120.812 120.500 -0.177 0.000 2.075 459 R HA -0.175 4.165 4.340 -0.001 0.000 0.232 459 R C 2.158 178.366 176.300 -0.154 0.000 1.126 459 R CA 1.213 57.255 56.100 -0.096 0.000 0.963 459 R CB -0.305 29.978 30.300 -0.029 0.000 0.858 459 R HN 0.421 nan 8.270 nan 0.000 0.435 460 E N 0.766 120.740 120.200 -0.377 0.000 2.058 460 E HA -0.222 4.127 4.350 -0.001 0.000 0.194 460 E C 1.998 178.486 176.600 -0.187 0.000 0.997 460 E CA 1.303 57.489 56.400 -0.357 0.000 0.801 460 E CB -0.043 29.296 29.700 -0.602 0.000 0.746 460 E HN 0.348 nan 8.360 nan 0.000 0.450 461 A N 1.273 123.980 122.820 -0.188 0.000 1.865 461 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 461 A C 2.403 179.941 177.584 -0.076 0.000 1.191 461 A CA 2.221 54.179 52.037 -0.132 0.000 0.623 461 A CB -0.960 17.938 19.000 -0.169 0.000 0.826 461 A HN 0.416 nan 8.150 nan 0.000 0.444 462 A N -1.328 121.461 122.820 -0.051 0.000 2.125 462 A HA 0.004 4.324 4.320 -0.001 0.000 0.219 462 A C 2.180 179.827 177.584 0.104 0.000 1.156 462 A CA 2.098 54.187 52.037 0.087 0.000 0.671 462 A CB -0.970 18.159 19.000 0.216 0.000 0.794 462 A HN 0.491 nan 8.150 nan 0.000 0.459 463 T N 0.446 115.031 114.554 0.052 0.000 2.732 463 T HA -0.118 4.232 4.350 -0.001 0.000 0.261 463 T C 2.313 177.053 174.700 0.067 0.000 1.040 463 T CA 1.795 63.938 62.100 0.072 0.000 1.145 463 T CB -0.494 68.414 68.868 0.068 0.000 0.866 463 T HN 0.764 nan 8.240 nan 0.000 0.427 464 S N 2.056 117.774 115.700 0.031 0.000 2.474 464 S HA -0.103 4.366 4.470 -0.001 0.000 0.235 464 S C 1.809 176.439 174.600 0.050 0.000 0.997 464 S CA 1.179 59.397 58.200 0.030 0.000 0.949 464 S CB -0.708 62.492 63.200 0.000 0.000 0.766 464 S HN 0.490 nan 8.310 nan 0.000 0.517 465 N N 1.531 120.271 118.700 0.068 0.000 2.309 465 N HA 0.031 4.771 4.740 -0.001 0.000 0.182 465 N C 1.541 177.134 175.510 0.139 0.000 1.018 465 N CA 1.083 54.193 53.050 0.100 0.000 0.876 465 N CB -0.483 38.090 38.487 0.144 0.000 0.972 465 N HN 0.480 nan 8.380 nan 0.000 0.434 466 L N 0.348 121.663 121.223 0.154 0.000 2.017 466 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 466 L C 2.554 179.521 176.870 0.161 0.000 1.073 466 L CA 1.187 56.141 54.840 0.190 0.000 0.745 466 L CB -0.589 41.568 42.059 0.162 0.000 0.894 466 L HN 0.265 nan 8.230 nan 0.000 0.432 467 K N 0.589 121.055 120.400 0.109 0.000 2.044 467 K HA -0.213 4.106 4.320 -0.001 0.000 0.210 467 K C 2.141 178.774 176.600 0.054 0.000 1.049 467 K CA 1.426 57.762 56.287 0.083 0.000 0.927 467 K CB 0.081 32.616 32.500 0.058 0.000 0.713 467 K HN 0.192 nan 8.250 nan 0.000 0.443 468 K N 0.633 121.054 120.400 0.034 0.000 2.147 468 K HA -0.119 4.201 4.320 -0.001 0.000 0.205 468 K C 2.240 178.793 176.600 -0.078 0.000 1.049 468 K CA 0.957 57.234 56.287 -0.017 0.000 0.936 468 K CB -0.175 32.320 32.500 -0.008 0.000 0.722 468 K HN 0.269 nan 8.250 nan 0.000 0.446 469 L N 0.552 121.762 121.223 -0.021 0.000 2.072 469 L HA -0.116 4.223 4.340 -0.001 0.000 0.205 469 L C 2.385 179.197 176.870 -0.097 0.000 1.079 469 L CA 0.542 55.303 54.840 -0.130 0.000 0.752 469 L CB -0.355 41.780 42.059 0.126 0.000 0.906 469 L HN -0.135 nan 8.230 nan 0.000 0.436 470 V N -0.155 119.869 119.914 0.183 0.000 2.490 470 V HA -0.260 3.860 4.120 -0.001 0.000 0.250 470 V C 2.277 178.407 176.094 0.061 0.000 1.061 470 V CA 1.601 64.061 62.300 0.267 0.000 1.064 470 V CB -0.445 31.537 31.823 0.265 0.000 0.670 470 V HN 0.450 nan 8.190 nan 0.000 0.461 471 E N -0.267 119.916 120.200 -0.029 0.000 2.110 471 E HA -0.240 4.109 4.350 -0.001 0.000 0.193 471 E C 2.252 178.744 176.600 -0.179 0.000 0.988 471 E CA 1.128 57.485 56.400 -0.071 0.000 0.804 471 E CB -0.066 29.594 29.700 -0.067 0.000 0.745 471 E HN 0.382 nan 8.360 nan 0.000 0.458 472 K N -0.195 119.983 120.400 -0.371 0.000 2.025 472 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 472 K C 1.321 177.523 176.600 -0.663 0.000 1.049 472 K CA 1.191 57.090 56.287 -0.647 0.000 0.933 472 K CB -0.003 31.814 32.500 -1.138 0.000 0.714 472 K HN 0.067 nan 8.250 nan 0.000 0.438 473 F N -0.873 118.838 119.950 -0.398 0.000 2.731 473 F HA 0.386 4.913 4.527 -0.001 0.000 0.298 473 F C 0.902 176.658 175.800 -0.075 0.000 1.106 473 F CA 0.149 57.887 58.000 -0.437 0.000 1.329 473 F CB 0.289 38.540 39.000 -1.248 0.000 1.100 473 F HN 0.078 nan 8.300 nan 0.000 0.592 474 G N 1.151 110.065 108.800 0.189 0.000 2.662 474 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.686 474 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.686 474 G C 0.658 175.735 174.900 0.296 0.000 1.271 474 G CA -0.301 44.927 45.100 0.214 0.000 0.816 474 G HN 0.352 nan 8.290 nan 0.000 0.608 475 K N -0.362 120.155 120.400 0.195 0.000 2.288 475 K HA 0.054 4.374 4.320 -0.001 0.000 0.201 475 K C 1.593 178.295 176.600 0.169 0.000 1.048 475 K CA 1.758 58.148 56.287 0.172 0.000 0.956 475 K CB 0.087 32.653 32.500 0.109 0.000 0.746 475 K HN 0.374 nan 8.250 nan 0.000 0.461 476 E N 1.081 121.386 120.200 0.174 0.000 2.028 476 E HA -0.174 4.176 4.350 -0.001 0.000 0.190 476 E C 1.634 178.354 176.600 0.200 0.000 0.984 476 E CA 1.139 57.627 56.400 0.146 0.000 0.800 476 E CB -0.458 29.318 29.700 0.127 0.000 0.758 476 E HN 0.566 nan 8.360 nan 0.000 0.448 477 W N 1.956 123.303 121.300 0.078 0.000 2.350 477 W HA -0.208 4.451 4.660 -0.001 0.000 0.289 477 W C 2.176 178.745 176.519 0.084 0.000 1.215 477 W CA 2.391 59.777 57.345 0.068 0.000 1.236 477 W CB -0.184 29.324 29.460 0.080 0.000 1.130 477 W HN 0.066 nan 8.180 nan 0.000 0.541 478 A N -0.588 122.276 122.820 0.073 0.000 1.898 478 A HA -0.278 4.042 4.320 -0.001 0.000 0.216 478 A C 2.128 179.612 177.584 -0.167 0.000 1.181 478 A CA 1.798 53.749 52.037 -0.142 0.000 0.620 478 A CB -1.509 17.565 19.000 0.123 0.000 0.819 478 A HN 0.635 nan 8.150 nan 0.000 0.442 479 H N -0.163 118.820 119.070 -0.144 0.000 2.462 479 H HA 0.110 4.665 4.556 -0.001 0.000 0.292 479 H C 1.983 177.177 175.328 -0.224 0.000 1.049 479 H CA 1.498 57.440 56.048 -0.176 0.000 1.334 479 H CB -0.010 29.655 29.762 -0.162 0.000 1.404 479 H HN 0.395 nan 8.280 nan 0.000 0.544 480 A N -0.344 122.381 122.820 -0.158 0.000 1.943 480 A HA 0.019 4.339 4.320 -0.001 0.000 0.213 480 A C 2.340 179.735 177.584 -0.316 0.000 1.181 480 A CA 1.193 53.102 52.037 -0.213 0.000 0.653 480 A CB -0.295 18.660 19.000 -0.075 0.000 0.833 480 A HN 0.434 nan 8.150 nan 0.000 0.451 481 T N -1.114 113.146 114.554 -0.491 0.000 3.015 481 T HA 0.332 4.681 4.350 -0.001 0.000 0.250 481 T C 1.505 175.918 174.700 -0.478 0.000 1.057 481 T CA 0.575 62.350 62.100 -0.543 0.000 1.066 481 T CB 0.084 68.449 68.868 -0.839 0.000 0.959 481 T HN 0.295 nan 8.240 nan 0.000 0.488 482 I N -0.222 120.049 120.570 -0.499 0.000 3.443 482 I HA 0.223 4.392 4.170 -0.001 0.000 0.277 482 I C 1.796 177.799 176.117 -0.189 0.000 1.169 482 I CA 0.240 61.356 61.300 -0.307 0.000 1.419 482 I CB 0.301 38.117 38.000 -0.307 0.000 1.331 482 I HN 0.087 nan 8.210 nan 0.000 0.458 483 I N 1.965 122.423 120.570 -0.188 0.000 2.194 483 I HA -0.226 3.944 4.170 -0.001 0.000 0.246 483 I C -0.586 175.448 176.117 -0.138 0.000 1.093 483 I CA 1.844 63.067 61.300 -0.128 0.000 1.355 483 I CB -1.579 36.353 38.000 -0.114 0.000 1.046 483 I HN 0.154 nan 8.210 nan 0.000 0.413 484 P HA -0.203 nan 4.420 nan 0.000 0.215 484 P C 1.375 178.607 177.300 -0.113 0.000 1.157 484 P CA 1.666 64.668 63.100 -0.163 0.000 0.874 484 P CB -0.036 31.546 31.700 -0.197 0.000 0.790 485 K N -0.983 119.349 120.400 -0.114 0.000 2.228 485 K HA 0.001 4.320 4.320 -0.001 0.000 0.202 485 K C 1.968 178.528 176.600 -0.066 0.000 1.051 485 K CA 0.783 57.017 56.287 -0.087 0.000 0.960 485 K CB -0.637 31.808 32.500 -0.093 0.000 0.743 485 K HN 0.030 nan 8.250 nan 0.000 0.458 486 V N 1.951 121.829 119.914 -0.061 0.000 2.358 486 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 486 V C 2.108 178.181 176.094 -0.035 0.000 1.047 486 V CA 1.452 63.730 62.300 -0.038 0.000 1.035 486 V CB -0.276 31.535 31.823 -0.021 0.000 0.658 486 V HN 0.274 nan 8.190 nan 0.000 0.452 487 L N -0.038 121.162 121.223 -0.039 0.000 2.275 487 L HA -0.073 4.267 4.340 -0.001 0.000 0.215 487 L C 2.611 179.463 176.870 -0.031 0.000 1.119 487 L CA 1.073 55.895 54.840 -0.030 0.000 0.790 487 L CB -0.721 41.323 42.059 -0.026 0.000 0.919 487 L HN 0.364 nan 8.230 nan 0.000 0.443 488 A N -0.008 122.789 122.820 -0.038 0.000 2.019 488 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 488 A C 2.240 179.810 177.584 -0.022 0.000 1.164 488 A CA 1.388 53.405 52.037 -0.032 0.000 0.644 488 A CB -0.412 18.564 19.000 -0.041 0.000 0.805 488 A HN 0.388 nan 8.150 nan 0.000 0.449 489 M N 0.552 120.137 119.600 -0.025 0.000 2.557 489 M HA -0.093 4.386 4.480 -0.001 0.000 0.259 489 M C 2.141 178.439 176.300 -0.003 0.000 1.086 489 M CA 1.210 56.503 55.300 -0.010 0.000 1.096 489 M CB -0.320 32.264 32.600 -0.027 0.000 1.424 489 M HN 0.626 nan 8.290 nan 0.000 0.488 490 S N -0.014 115.676 115.700 -0.017 0.000 2.442 490 S HA -0.064 4.405 4.470 -0.001 0.000 0.236 490 S C 1.899 176.493 174.600 -0.010 0.000 1.007 490 S CA 1.123 59.310 58.200 -0.021 0.000 0.965 490 S CB -0.915 62.270 63.200 -0.025 0.000 0.773 490 S HN 0.556 nan 8.310 nan 0.000 0.504 491 G N 1.008 109.807 108.800 -0.003 0.000 2.551 491 G HA2 0.000 3.960 3.960 -0.001 0.000 0.216 491 G HA3 0.000 3.960 3.960 -0.001 0.000 0.216 491 G C 0.324 175.231 174.900 0.012 0.000 1.137 491 G CA -0.087 45.013 45.100 0.001 0.000 0.798 491 G HN 0.522 nan 8.290 nan 0.000 0.536 492 D N 1.202 121.621 120.400 0.030 0.000 2.583 492 D HA -0.012 4.628 4.640 -0.001 0.000 0.232 492 D C -0.763 175.555 176.300 0.030 0.000 1.128 492 D CA -0.896 53.139 54.000 0.058 0.000 0.859 492 D CB 1.922 42.806 40.800 0.139 0.000 1.169 492 D HN 0.109 nan 8.370 nan 0.000 0.481 493 P HA -0.128 nan 4.420 nan 0.000 0.221 493 P C 0.510 177.797 177.300 -0.022 0.000 1.150 493 P CA 0.385 63.480 63.100 -0.007 0.000 0.800 493 P CB 0.289 31.983 31.700 -0.010 0.000 0.787 494 N N 0.414 119.072 118.700 -0.071 0.000 2.497 494 N HA -0.052 4.688 4.740 -0.001 0.000 0.271 494 N C 1.075 176.582 175.510 -0.005 0.000 1.142 494 N CA -0.247 52.732 53.050 -0.119 0.000 0.965 494 N CB 0.368 38.564 38.487 -0.485 0.000 1.077 494 N HN 0.033 nan 8.380 nan 0.000 0.462 495 Y N 3.543 123.760 120.300 -0.139 0.000 2.373 495 Y HA 0.077 4.627 4.550 -0.001 0.000 0.293 495 Y C 1.588 177.425 175.900 -0.105 0.000 1.129 495 Y CA 0.818 58.849 58.100 -0.115 0.000 1.226 495 Y CB -0.500 37.897 38.460 -0.106 0.000 1.000 495 Y HN 0.490 nan 8.280 nan 0.000 0.549 496 L N 0.058 121.047 121.223 -0.390 0.000 2.131 496 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 496 L C 2.345 179.189 176.870 -0.042 0.000 1.092 496 L CA 1.897 56.506 54.840 -0.385 0.000 0.759 496 L CB -0.728 41.193 42.059 -0.230 0.000 0.903 496 L HN 0.426 nan 8.230 nan 0.000 0.435 497 H N -0.921 118.083 119.070 -0.109 0.000 2.415 497 H HA 0.013 4.568 4.556 -0.001 0.000 0.297 497 H C 2.368 177.624 175.328 -0.119 0.000 1.048 497 H CA 0.283 56.284 56.048 -0.078 0.000 1.365 497 H CB 0.271 30.017 29.762 -0.028 0.000 1.421 497 H HN 0.225 nan 8.280 nan 0.000 0.533 498 R N 0.551 121.053 120.500 0.004 0.000 2.081 498 R HA -0.096 4.244 4.340 -0.001 0.000 0.235 498 R C 2.283 178.456 176.300 -0.211 0.000 1.131 498 R CA 1.284 57.340 56.100 -0.073 0.000 0.960 498 R CB -0.156 30.113 30.300 -0.050 0.000 0.856 498 R HN 0.328 nan 8.270 nan 0.000 0.436 499 M N -0.145 119.255 119.600 -0.334 0.000 2.159 499 M HA -0.147 4.332 4.480 -0.001 0.000 0.263 499 M C 2.129 177.840 176.300 -0.983 0.000 1.063 499 M CA 1.577 56.459 55.300 -0.696 0.000 1.110 499 M CB -0.389 31.752 32.600 -0.764 0.000 1.374 499 M HN 0.113 nan 8.290 nan 0.000 0.411 500 T N 0.128 114.379 114.554 -0.505 0.000 2.803 500 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 500 T C 1.741 176.356 174.700 -0.143 0.000 1.052 500 T CA 1.853 63.828 62.100 -0.209 0.000 1.136 500 T CB -0.269 68.589 68.868 -0.016 0.000 0.864 500 T HN 0.426 nan 8.240 nan 0.000 0.467 501 T N 1.887 116.344 114.554 -0.162 0.000 2.708 501 T HA 0.048 4.398 4.350 -0.001 0.000 0.266 501 T C 1.926 176.579 174.700 -0.077 0.000 1.037 501 T CA 0.874 62.922 62.100 -0.088 0.000 1.146 501 T CB -0.360 68.462 68.868 -0.077 0.000 0.865 501 T HN 0.264 nan 8.240 nan 0.000 0.435 502 L N 0.000 121.123 121.223 -0.167 0.000 2.083 502 L HA -0.063 4.277 4.340 -0.001 0.000 0.209 502 L C 2.346 179.259 176.870 0.072 0.000 1.083 502 L CA 1.113 55.899 54.840 -0.090 0.000 0.752 502 L CB -0.582 41.377 42.059 -0.167 0.000 0.899 502 L HN 0.217 nan 8.230 nan 0.000 0.433 503 F N -0.504 119.446 119.950 0.001 0.000 2.161 503 F HA -0.224 4.302 4.527 -0.001 0.000 0.300 503 F C 2.608 178.418 175.800 0.017 0.000 1.089 503 F CA 0.538 58.545 58.000 0.012 0.000 1.282 503 F CB -1.617 37.397 39.000 0.023 0.000 1.010 503 F HN 0.153 nan 8.300 nan 0.000 0.485 504 C N -0.161 119.253 119.300 0.190 0.000 2.448 504 C HA -0.030 4.430 4.460 -0.001 0.000 0.280 504 C C 2.869 177.916 174.990 0.094 0.000 1.398 504 C CA 0.217 59.306 59.018 0.120 0.000 1.774 504 C CB -1.269 26.518 27.740 0.079 0.000 1.888 504 C HN 0.371 nan 8.230 nan 0.000 0.519 505 I N 1.390 122.011 120.570 0.086 0.000 2.584 505 I HA -0.088 4.081 4.170 -0.001 0.000 0.255 505 I C 1.979 178.144 176.117 0.080 0.000 1.145 505 I CA 0.910 62.252 61.300 0.070 0.000 1.462 505 I CB -0.490 37.540 38.000 0.050 0.000 1.102 505 I HN 0.377 nan 8.210 nan 0.000 0.433 506 N N 0.957 119.719 118.700 0.103 0.000 2.058 506 N HA -0.132 4.608 4.740 -0.001 0.000 0.191 506 N C 1.966 177.521 175.510 0.075 0.000 1.037 506 N CA 1.130 54.236 53.050 0.092 0.000 0.848 506 N CB -0.639 37.915 38.487 0.112 0.000 1.021 506 N HN 0.126 nan 8.380 nan 0.000 0.422 507 V N 1.693 121.654 119.914 0.079 0.000 2.358 507 V HA -0.104 4.016 4.120 -0.001 0.000 0.246 507 V C 2.293 178.427 176.094 0.068 0.000 1.047 507 V CA 1.083 63.422 62.300 0.065 0.000 1.035 507 V CB -0.386 31.476 31.823 0.065 0.000 0.658 507 V HN 0.238 nan 8.190 nan 0.000 0.452 508 L N 0.486 121.755 121.223 0.076 0.000 2.275 508 L HA -0.103 4.237 4.340 -0.001 0.000 0.215 508 L C 2.603 179.517 176.870 0.074 0.000 1.119 508 L CA 1.436 56.324 54.840 0.079 0.000 0.790 508 L CB -0.523 41.583 42.059 0.079 0.000 0.919 508 L HN 0.557 nan 8.230 nan 0.000 0.443 509 S N -0.918 114.823 115.700 0.067 0.000 2.406 509 S HA -0.176 4.294 4.470 -0.001 0.000 0.228 509 S C 1.654 176.287 174.600 0.056 0.000 1.020 509 S CA 0.718 58.954 58.200 0.061 0.000 0.965 509 S CB -0.233 63.001 63.200 0.056 0.000 0.798 509 S HN 0.435 nan 8.310 nan 0.000 0.488 510 E N 0.787 121.019 120.200 0.053 0.000 2.130 510 E HA -0.121 4.229 4.350 -0.001 0.000 0.196 510 E C 1.714 178.343 176.600 0.048 0.000 0.998 510 E CA 1.691 58.119 56.400 0.046 0.000 0.806 510 E CB -0.164 29.562 29.700 0.043 0.000 0.738 510 E HN 0.700 nan 8.360 nan 0.000 0.459 511 V N -3.548 116.401 119.914 0.058 0.000 3.252 511 V HA 0.213 4.333 4.120 -0.001 0.000 0.320 511 V C 0.988 177.127 176.094 0.075 0.000 1.459 511 V CA -0.348 61.989 62.300 0.062 0.000 1.095 511 V CB 0.133 31.993 31.823 0.063 0.000 0.997 511 V HN 0.192 nan 8.190 nan 0.000 0.469 512 C N 1.566 120.913 119.300 0.077 0.000 2.912 512 C HA 0.702 5.162 4.460 -0.001 0.000 0.274 512 C C 1.555 176.589 174.990 0.074 0.000 1.248 512 C CA 0.434 59.504 59.018 0.087 0.000 1.694 512 C CB -1.092 26.706 27.740 0.096 0.000 2.024 512 C HN 1.227 nan 8.230 nan 0.000 0.605 513 G N 0.573 109.409 108.800 0.060 0.000 2.712 513 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.686 513 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.686 513 G C 0.326 175.254 174.900 0.047 0.000 1.321 513 G CA 0.227 45.356 45.100 0.049 0.000 0.813 513 G HN 0.377 nan 8.290 nan 0.000 0.599 514 Q N -0.072 119.750 119.800 0.037 0.000 2.112 514 Q HA -0.208 4.132 4.340 -0.001 0.000 0.206 514 Q C 1.960 177.979 176.000 0.031 0.000 0.987 514 Q CA 2.755 58.577 55.803 0.031 0.000 0.858 514 Q CB -0.212 28.540 28.738 0.023 0.000 0.905 514 Q HN 0.723 nan 8.270 nan 0.000 0.420 515 D N -0.202 120.217 120.400 0.031 0.000 2.078 515 D HA -0.138 4.501 4.640 -0.001 0.000 0.193 515 D C 1.876 178.207 176.300 0.053 0.000 0.990 515 D CA 1.741 55.758 54.000 0.028 0.000 0.827 515 D CB -0.133 40.680 40.800 0.021 0.000 0.975 515 D HN 0.381 nan 8.370 nan 0.000 0.451 516 I N 0.104 120.725 120.570 0.085 0.000 2.286 516 I HA -0.244 3.926 4.170 -0.001 0.000 0.248 516 I C 2.187 178.399 176.117 0.157 0.000 1.115 516 I CA 1.118 62.523 61.300 0.175 0.000 1.392 516 I CB -0.490 37.601 38.000 0.152 0.000 1.065 516 I HN 0.111 nan 8.210 nan 0.000 0.418 517 T N 0.142 114.752 114.554 0.094 0.000 2.746 517 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 517 T C 1.909 176.634 174.700 0.042 0.000 1.039 517 T CA 2.062 64.205 62.100 0.072 0.000 1.142 517 T CB -0.344 68.557 68.868 0.055 0.000 0.866 517 T HN 0.392 nan 8.240 nan 0.000 0.444 518 T N 1.970 116.537 114.554 0.021 0.000 2.770 518 T HA -0.002 4.348 4.350 -0.001 0.000 0.263 518 T C 2.037 176.703 174.700 -0.057 0.000 1.039 518 T CA 0.840 62.935 62.100 -0.010 0.000 1.142 518 T CB -0.074 68.787 68.868 -0.011 0.000 0.868 518 T HN 0.342 nan 8.240 nan 0.000 0.435 519 K N 0.367 120.704 120.400 -0.104 0.000 2.001 519 K HA -0.055 4.264 4.320 -0.001 0.000 0.208 519 K C 1.691 178.011 176.600 -0.467 0.000 1.048 519 K CA 1.361 57.455 56.287 -0.321 0.000 0.932 519 K CB -0.153 32.068 32.500 -0.466 0.000 0.715 519 K HN 0.496 nan 8.250 nan 0.000 0.437 520 H N -1.563 117.549 119.070 0.071 0.000 2.594 520 H HA 0.262 4.817 4.556 -0.001 0.000 0.279 520 H C 1.070 176.422 175.328 0.041 0.000 1.042 520 H CA 0.024 56.116 56.048 0.073 0.000 1.177 520 H CB 0.596 30.445 29.762 0.146 0.000 1.524 520 H HN 0.068 nan 8.280 nan 0.000 0.537 521 M N -1.210 118.446 119.600 0.092 0.000 2.227 521 M HA 0.061 4.540 4.480 -0.001 0.000 0.226 521 M C 1.292 177.612 176.300 0.032 0.000 1.423 521 M CA 0.177 55.515 55.300 0.064 0.000 1.055 521 M CB 0.343 32.985 32.600 0.071 0.000 1.572 521 M HN 0.196 nan 8.290 nan 0.000 0.567 522 L N 2.510 123.746 121.223 0.021 0.000 2.043 522 L HA -0.067 4.273 4.340 -0.001 0.000 0.212 522 L C -0.997 175.874 176.870 0.002 0.000 1.075 522 L CA 2.490 57.336 54.840 0.011 0.000 0.752 522 L CB -1.430 40.631 42.059 0.004 0.000 0.891 522 L HN 0.021 nan 8.230 nan 0.000 0.432 523 P HA -0.105 nan 4.420 nan 0.000 0.215 523 P C 1.643 178.942 177.300 -0.002 0.000 1.157 523 P CA 1.904 64.999 63.100 -0.008 0.000 0.863 523 P CB -0.152 31.538 31.700 -0.017 0.000 0.787 524 T N -0.768 113.788 114.554 0.003 0.000 2.788 524 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 524 T C 1.803 176.500 174.700 -0.006 0.000 1.044 524 T CA 1.143 63.242 62.100 -0.001 0.000 1.139 524 T CB -0.946 67.923 68.868 0.002 0.000 0.867 524 T HN -0.116 nan 8.240 nan 0.000 0.454 525 V N 1.297 121.210 119.914 -0.001 0.000 2.307 525 V HA -0.066 4.054 4.120 -0.001 0.000 0.245 525 V C 2.448 178.540 176.094 -0.003 0.000 1.045 525 V CA 1.380 63.678 62.300 -0.003 0.000 1.024 525 V CB -0.585 31.242 31.823 0.008 0.000 0.651 525 V HN 0.432 nan 8.190 nan 0.000 0.449 526 L N -0.415 120.808 121.223 0.001 0.000 2.141 526 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 526 L C 2.688 179.557 176.870 -0.001 0.000 1.094 526 L CA 1.479 56.320 54.840 0.002 0.000 0.763 526 L CB -0.490 41.571 42.059 0.003 0.000 0.908 526 L HN 0.264 nan 8.230 nan 0.000 0.437 527 R N 0.413 120.910 120.500 -0.005 0.000 2.075 527 R HA -0.118 4.222 4.340 -0.001 0.000 0.232 527 R C 2.149 178.444 176.300 -0.009 0.000 1.126 527 R CA 1.331 57.427 56.100 -0.006 0.000 0.963 527 R CB -0.092 30.203 30.300 -0.007 0.000 0.858 527 R HN 0.260 nan 8.270 nan 0.000 0.435 528 M N -0.059 119.532 119.600 -0.015 0.000 2.659 528 M HA 0.076 4.556 4.480 -0.001 0.000 0.243 528 M C 1.798 178.086 176.300 -0.019 0.000 1.111 528 M CA 0.597 55.882 55.300 -0.024 0.000 1.070 528 M CB 0.315 32.891 32.600 -0.040 0.000 1.525 528 M HN 0.227 nan 8.290 nan 0.000 0.517 529 A N 0.575 123.391 122.820 -0.008 0.000 2.186 529 A HA 0.006 4.326 4.320 -0.001 0.000 0.219 529 A C 1.813 179.401 177.584 0.006 0.000 1.159 529 A CA 1.497 53.536 52.037 0.004 0.000 0.680 529 A CB -0.788 18.220 19.000 0.012 0.000 0.787 529 A HN 0.561 nan 8.150 nan 0.000 0.467 530 G N -0.796 108.003 108.800 -0.001 0.000 4.222 530 G HA2 0.268 4.228 3.960 -0.001 0.000 0.301 530 G HA3 0.268 4.228 3.960 -0.001 0.000 0.301 530 G C -0.297 174.600 174.900 -0.006 0.000 1.171 530 G CA -0.099 45.001 45.100 0.001 0.000 0.937 530 G HN 0.381 nan 8.290 nan 0.000 0.557 531 D N 1.333 121.725 120.400 -0.013 0.000 2.372 531 D HA 0.094 4.734 4.640 -0.001 0.000 0.243 531 D C -0.781 175.508 176.300 -0.017 0.000 1.121 531 D CA -1.355 52.633 54.000 -0.020 0.000 0.898 531 D CB 2.505 43.285 40.800 -0.034 0.000 1.202 531 D HN 0.041 nan 8.370 nan 0.000 0.428 532 P HA -0.086 nan 4.420 nan 0.000 0.218 532 P C 0.486 177.766 177.300 -0.034 0.000 1.149 532 P CA 0.476 63.562 63.100 -0.024 0.000 0.817 532 P CB 0.259 31.942 31.700 -0.029 0.000 0.785 533 V N 0.693 120.580 119.914 -0.045 0.000 2.465 533 V HA 0.338 4.457 4.120 -0.001 0.000 0.279 533 V C 1.920 177.993 176.094 -0.035 0.000 1.045 533 V CA 0.119 62.379 62.300 -0.067 0.000 0.938 533 V CB 0.704 32.461 31.823 -0.110 0.000 0.986 533 V HN 0.023 nan 8.190 nan 0.000 0.467 534 A N 3.992 126.812 122.820 -0.000 0.000 1.908 534 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 534 A C 1.884 179.483 177.584 0.024 0.000 1.181 534 A CA 2.318 54.402 52.037 0.077 0.000 0.627 534 A CB -0.751 18.342 19.000 0.155 0.000 0.818 534 A HN 0.895 nan 8.150 nan 0.000 0.445 535 N N -0.042 118.628 118.700 -0.050 0.000 2.149 535 N HA -0.115 4.625 4.740 -0.001 0.000 0.188 535 N C 1.389 176.449 175.510 -0.749 0.000 1.019 535 N CA 1.552 54.325 53.050 -0.462 0.000 0.857 535 N CB -0.431 38.075 38.487 0.031 0.000 0.997 535 N HN 0.290 nan 8.380 nan 0.000 0.426 536 V N 0.880 120.609 119.914 -0.308 0.000 2.379 536 V HA -0.129 3.990 4.120 -0.001 0.000 0.245 536 V C 2.232 178.173 176.094 -0.254 0.000 1.044 536 V CA 1.413 63.551 62.300 -0.271 0.000 1.036 536 V CB -0.401 31.345 31.823 -0.129 0.000 0.664 536 V HN 0.264 nan 8.190 nan 0.000 0.453 537 R N 0.248 120.653 120.500 -0.159 0.000 2.080 537 R HA -0.188 4.152 4.340 -0.001 0.000 0.236 537 R C 2.376 178.679 176.300 0.004 0.000 1.137 537 R CA 2.201 58.273 56.100 -0.046 0.000 0.943 537 R CB -0.684 29.637 30.300 0.034 0.000 0.846 537 R HN 0.701 nan 8.270 nan 0.000 0.431 538 F N 0.719 120.710 119.950 0.068 0.000 2.293 538 F HA 0.014 4.540 4.527 -0.001 0.000 0.300 538 F C 1.529 177.301 175.800 -0.046 0.000 1.086 538 F CA 0.655 58.706 58.000 0.084 0.000 1.375 538 F CB -0.700 38.433 39.000 0.223 0.000 1.045 538 F HN -0.127 nan 8.300 nan 0.000 0.516 539 N N 0.885 119.370 118.700 -0.358 0.000 2.512 539 N HA -0.050 4.689 4.740 -0.001 0.000 0.183 539 N C 1.856 177.332 175.510 -0.056 0.000 1.073 539 N CA 0.733 53.678 53.050 -0.175 0.000 0.911 539 N CB 0.138 38.451 38.487 -0.290 0.000 0.964 539 N HN 0.316 nan 8.380 nan 0.000 0.447 540 V N 0.903 120.788 119.914 -0.048 0.000 2.488 540 V HA -0.072 4.048 4.120 -0.001 0.000 0.246 540 V C 2.324 178.442 176.094 0.040 0.000 1.046 540 V CA 1.428 63.723 62.300 -0.009 0.000 1.053 540 V CB -0.403 31.412 31.823 -0.014 0.000 0.679 540 V HN 0.215 nan 8.190 nan 0.000 0.458 541 A N 0.035 122.905 122.820 0.083 0.000 1.858 541 A HA -0.259 4.061 4.320 -0.001 0.000 0.216 541 A C 2.236 179.878 177.584 0.096 0.000 1.190 541 A CA 2.117 54.221 52.037 0.111 0.000 0.617 541 A CB -0.491 18.623 19.000 0.191 0.000 0.827 541 A HN 0.512 nan 8.150 nan 0.000 0.443 542 K N -0.185 120.268 120.400 0.088 0.000 2.044 542 K HA -0.132 4.187 4.320 -0.001 0.000 0.210 542 K C 2.348 178.989 176.600 0.069 0.000 1.049 542 K CA 1.686 58.012 56.287 0.066 0.000 0.927 542 K CB -0.296 32.211 32.500 0.012 0.000 0.713 542 K HN 0.398 nan 8.250 nan 0.000 0.443 543 S N 1.070 116.809 115.700 0.065 0.000 2.419 543 S HA -0.054 4.415 4.470 -0.001 0.000 0.233 543 S C 1.812 176.444 174.600 0.053 0.000 1.016 543 S CA 0.888 59.127 58.200 0.065 0.000 0.974 543 S CB -0.120 63.113 63.200 0.054 0.000 0.786 543 S HN 0.199 nan 8.310 nan 0.000 0.492 544 L N 0.918 122.171 121.223 0.049 0.000 2.072 544 L HA -0.073 4.267 4.340 -0.001 0.000 0.205 544 L C 2.746 179.643 176.870 0.044 0.000 1.079 544 L CA 1.134 55.999 54.840 0.042 0.000 0.752 544 L CB -0.515 41.568 42.059 0.040 0.000 0.906 544 L HN 0.367 nan 8.230 nan 0.000 0.436 545 Q N 0.562 120.393 119.800 0.053 0.000 2.170 545 Q HA -0.273 4.067 4.340 -0.001 0.000 0.203 545 Q C 2.047 178.077 176.000 0.048 0.000 0.976 545 Q CA 1.691 57.525 55.803 0.051 0.000 0.858 545 Q CB 0.212 28.989 28.738 0.064 0.000 0.907 545 Q HN 0.220 nan 8.270 nan 0.000 0.433 546 K N 0.952 121.384 120.400 0.052 0.000 1.975 546 K HA -0.102 4.218 4.320 -0.001 0.000 0.210 546 K C 1.928 178.555 176.600 0.045 0.000 1.041 546 K CA 1.642 57.959 56.287 0.050 0.000 0.942 546 K CB -0.402 32.133 32.500 0.058 0.000 0.729 546 K HN 0.411 nan 8.250 nan 0.000 0.439 547 I N -1.659 118.939 120.570 0.045 0.000 3.176 547 I HA 0.151 4.320 4.170 -0.001 0.000 0.275 547 I C 1.700 177.837 176.117 0.035 0.000 1.298 547 I CA 0.967 62.291 61.300 0.041 0.000 1.445 547 I CB -0.618 37.408 38.000 0.043 0.000 1.075 547 I HN 0.194 nan 8.210 nan 0.000 0.482 548 G N 2.628 111.448 108.800 0.033 0.000 2.476 548 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 548 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 548 G C -0.386 174.530 174.900 0.025 0.000 1.164 548 G CA 1.073 46.189 45.100 0.028 0.000 0.768 548 G HN 0.403 nan 8.290 nan 0.000 0.560 549 P HA -0.050 nan 4.420 nan 0.000 0.217 549 P C 1.752 179.066 177.300 0.024 0.000 1.148 549 P CA 0.780 63.895 63.100 0.024 0.000 0.828 549 P CB -0.054 31.662 31.700 0.026 0.000 0.783 550 I N -2.056 118.530 120.570 0.027 0.000 2.761 550 I HA -0.083 4.087 4.170 -0.001 0.000 0.261 550 I C 0.936 177.067 176.117 0.024 0.000 1.198 550 I CA 0.276 61.592 61.300 0.027 0.000 1.482 550 I CB -0.368 37.651 38.000 0.033 0.000 1.100 550 I HN -0.127 nan 8.210 nan 0.000 0.445 551 L N 1.841 123.077 121.223 0.022 0.000 2.380 551 L HA 0.108 4.447 4.340 -0.001 0.000 0.273 551 L C 0.058 176.937 176.870 0.014 0.000 1.138 551 L CA -0.693 54.158 54.840 0.017 0.000 0.832 551 L CB 0.147 42.216 42.059 0.016 0.000 1.124 551 L HN 0.173 nan 8.230 nan 0.000 0.454 552 D N 0.829 121.236 120.400 0.012 0.000 2.423 552 D HA -0.079 4.561 4.640 -0.001 0.000 0.238 552 D C 0.786 177.091 176.300 0.009 0.000 1.142 552 D CA -0.307 53.699 54.000 0.010 0.000 0.884 552 D CB 0.546 41.351 40.800 0.008 0.000 1.199 552 D HN 0.497 nan 8.370 nan 0.000 0.438 553 N N 0.928 119.633 118.700 0.009 0.000 2.184 553 N HA -0.285 4.454 4.740 -0.001 0.000 0.190 553 N C 1.596 177.110 175.510 0.007 0.000 1.011 553 N CA 1.589 54.644 53.050 0.008 0.000 0.867 553 N CB -0.081 38.411 38.487 0.008 0.000 0.993 553 N HN 0.451 nan 8.380 nan 0.000 0.433 554 S N -1.432 114.271 115.700 0.006 0.000 2.356 554 S HA -0.127 4.342 4.470 -0.001 0.000 0.223 554 S C 1.785 176.387 174.600 0.003 0.000 1.032 554 S CA 1.903 60.105 58.200 0.004 0.000 1.005 554 S CB -0.694 62.508 63.200 0.003 0.000 0.867 554 S HN 0.465 nan 8.310 nan 0.000 0.449 555 T N 2.931 117.487 114.554 0.003 0.000 2.708 555 T HA -0.001 4.349 4.350 -0.001 0.000 0.266 555 T C 1.781 176.484 174.700 0.005 0.000 1.037 555 T CA 1.270 63.371 62.100 0.002 0.000 1.146 555 T CB -0.556 68.313 68.868 0.002 0.000 0.865 555 T HN 0.287 nan 8.240 nan 0.000 0.435 556 L N 0.741 121.968 121.223 0.007 0.000 2.081 556 L HA -0.193 4.147 4.340 -0.001 0.000 0.212 556 L C 2.832 179.708 176.870 0.009 0.000 1.080 556 L CA 1.481 56.327 54.840 0.010 0.000 0.754 556 L CB -0.317 41.748 42.059 0.011 0.000 0.893 556 L HN 0.329 nan 8.230 nan 0.000 0.433 557 Q N -1.332 118.472 119.800 0.007 0.000 2.204 557 Q HA -0.071 4.268 4.340 -0.001 0.000 0.198 557 Q C 2.378 178.381 176.000 0.005 0.000 0.946 557 Q CA 1.479 57.286 55.803 0.006 0.000 0.859 557 Q CB 0.212 28.953 28.738 0.006 0.000 0.946 557 Q HN 0.606 nan 8.270 nan 0.000 0.474 558 S N 0.162 115.865 115.700 0.004 0.000 2.371 558 S HA -0.018 4.451 4.470 -0.001 0.000 0.221 558 S C 1.643 176.245 174.600 0.003 0.000 1.036 558 S CA 0.802 59.004 58.200 0.003 0.000 0.965 558 S CB -0.039 63.162 63.200 0.001 0.000 0.845 558 S HN 0.283 nan 8.310 nan 0.000 0.475 559 E N 0.237 120.439 120.200 0.003 0.000 2.290 559 E HA 0.176 4.526 4.350 -0.001 0.000 0.197 559 E C 1.936 178.540 176.600 0.007 0.000 0.948 559 E CA 0.424 56.826 56.400 0.004 0.000 0.895 559 E CB 0.291 29.991 29.700 0.001 0.000 0.865 559 E HN 0.353 nan 8.360 nan 0.000 0.486 560 V N 1.578 121.497 119.914 0.009 0.000 2.374 560 V HA -0.143 3.977 4.120 -0.001 0.000 0.241 560 V C 2.292 178.394 176.094 0.014 0.000 1.034 560 V CA 1.352 63.660 62.300 0.013 0.000 1.037 560 V CB -0.333 31.499 31.823 0.015 0.000 0.682 560 V HN 0.098 nan 8.190 nan 0.000 0.463 561 K N 0.446 120.853 120.400 0.012 0.000 2.107 561 K HA -0.244 4.076 4.320 -0.001 0.000 0.211 561 K C -0.262 176.345 176.600 0.012 0.000 1.049 561 K CA 2.261 58.555 56.287 0.011 0.000 0.927 561 K CB -1.081 31.425 32.500 0.009 0.000 0.714 561 K HN 0.402 nan 8.250 nan 0.000 0.452 562 P HA -0.175 nan 4.420 nan 0.000 0.212 562 P C 1.385 178.693 177.300 0.013 0.000 1.180 562 P CA 1.019 64.125 63.100 0.010 0.000 0.906 562 P CB -0.004 31.701 31.700 0.008 0.000 0.782 563 I N -1.101 119.478 120.570 0.014 0.000 2.145 563 I HA -0.236 3.934 4.170 -0.001 0.000 0.244 563 I C 2.374 178.506 176.117 0.024 0.000 1.075 563 I CA 1.746 63.057 61.300 0.018 0.000 1.332 563 I CB -1.439 36.571 38.000 0.017 0.000 1.033 563 I HN -0.021 nan 8.210 nan 0.000 0.410 564 L N 0.140 121.378 121.223 0.025 0.000 1.989 564 L HA -0.248 4.092 4.340 -0.001 0.000 0.211 564 L C 2.495 179.381 176.870 0.027 0.000 1.071 564 L CA 1.556 56.414 54.840 0.030 0.000 0.749 564 L CB -0.644 41.431 42.059 0.026 0.000 0.890 564 L HN 0.238 nan 8.230 nan 0.000 0.431 565 E N -0.137 120.075 120.200 0.019 0.000 2.130 565 E HA -0.296 4.053 4.350 -0.001 0.000 0.196 565 E C 2.161 178.773 176.600 0.020 0.000 0.998 565 E CA 1.488 57.898 56.400 0.016 0.000 0.806 565 E CB -0.016 29.691 29.700 0.012 0.000 0.738 565 E HN 0.295 nan 8.360 nan 0.000 0.459 566 K N 0.870 121.282 120.400 0.021 0.000 1.985 566 K HA -0.161 4.159 4.320 -0.001 0.000 0.210 566 K C 2.125 178.744 176.600 0.031 0.000 1.047 566 K CA 1.151 57.452 56.287 0.023 0.000 0.932 566 K CB -0.210 32.302 32.500 0.021 0.000 0.716 566 K HN 0.102 nan 8.250 nan 0.000 0.439 567 L N 1.344 122.591 121.223 0.040 0.000 2.197 567 L HA -0.200 4.140 4.340 -0.001 0.000 0.215 567 L C 2.507 179.413 176.870 0.060 0.000 1.095 567 L CA 1.868 56.743 54.840 0.057 0.000 0.764 567 L CB -0.872 41.230 42.059 0.073 0.000 0.897 567 L HN 0.534 nan 8.230 nan 0.000 0.436 568 T N -4.085 110.496 114.554 0.044 0.000 3.051 568 T HA -0.130 4.219 4.350 -0.001 0.000 0.269 568 T C 1.533 176.253 174.700 0.033 0.000 1.127 568 T CA 0.623 62.744 62.100 0.036 0.000 1.107 568 T CB -0.007 68.872 68.868 0.019 0.000 0.898 568 T HN 0.287 nan 8.240 nan 0.000 0.517 569 Q N 0.894 120.715 119.800 0.033 0.000 2.219 569 Q HA 0.241 4.581 4.340 -0.001 0.000 0.209 569 Q C 0.199 176.219 176.000 0.034 0.000 0.854 569 Q CA -0.115 55.705 55.803 0.029 0.000 0.960 569 Q CB 0.136 28.888 28.738 0.022 0.000 1.116 569 Q HN 0.649 nan 8.270 nan 0.000 0.500 570 D N 0.686 121.114 120.400 0.046 0.000 2.400 570 D HA -0.052 4.588 4.640 -0.001 0.000 0.238 570 D C 0.975 177.306 176.300 0.050 0.000 1.157 570 D CA 0.180 54.212 54.000 0.053 0.000 0.889 570 D CB 1.209 42.054 40.800 0.076 0.000 1.199 570 D HN -0.058 nan 8.370 nan 0.000 0.436 571 Q N 1.430 121.257 119.800 0.045 0.000 2.084 571 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 571 Q C 0.261 176.290 176.000 0.048 0.000 0.978 571 Q CA 0.981 56.808 55.803 0.039 0.000 0.844 571 Q CB -0.438 28.319 28.738 0.031 0.000 0.898 571 Q HN 0.572 nan 8.270 nan 0.000 0.426 572 D N -0.088 120.353 120.400 0.069 0.000 2.417 572 D HA 0.043 4.683 4.640 -0.001 0.000 0.250 572 D C 1.234 177.588 176.300 0.090 0.000 1.166 572 D CA -0.114 53.938 54.000 0.087 0.000 0.881 572 D CB 1.104 41.981 40.800 0.129 0.000 1.164 572 D HN -0.214 nan 8.370 nan 0.000 0.467 573 V N 3.680 123.631 119.914 0.062 0.000 2.278 573 V HA -0.288 3.832 4.120 -0.001 0.000 0.251 573 V C 1.666 177.790 176.094 0.051 0.000 1.062 573 V CA 2.017 64.340 62.300 0.038 0.000 1.038 573 V CB -0.549 31.273 31.823 -0.001 0.000 0.646 573 V HN 0.683 nan 8.190 nan 0.000 0.447 574 D N 0.078 120.516 120.400 0.063 0.000 2.183 574 D HA -0.077 4.563 4.640 -0.001 0.000 0.203 574 D C 2.212 178.682 176.300 0.284 0.000 0.969 574 D CA 1.237 55.274 54.000 0.062 0.000 0.842 574 D CB -0.127 40.626 40.800 -0.080 0.000 0.957 574 D HN 0.405 nan 8.370 nan 0.000 0.484 575 V N 1.225 121.342 119.914 0.339 0.000 2.407 575 V HA -0.221 3.899 4.120 -0.001 0.000 0.248 575 V C 2.481 178.726 176.094 0.252 0.000 1.055 575 V CA 1.395 63.928 62.300 0.388 0.000 1.049 575 V CB -0.399 31.590 31.823 0.277 0.000 0.662 575 V HN 0.107 nan 8.190 nan 0.000 0.455 576 K N -0.651 119.845 120.400 0.160 0.000 2.002 576 K HA -0.235 4.084 4.320 -0.001 0.000 0.209 576 K C 2.287 178.916 176.600 0.048 0.000 1.048 576 K CA 2.033 58.375 56.287 0.092 0.000 0.930 576 K CB -0.395 32.147 32.500 0.069 0.000 0.714 576 K HN 0.509 nan 8.250 nan 0.000 0.438 577 Y N 0.216 120.463 120.300 -0.088 0.000 2.165 577 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 577 Y C 1.630 177.398 175.900 -0.221 0.000 1.155 577 Y CA 1.729 59.693 58.100 -0.226 0.000 1.164 577 Y CB -0.274 37.924 38.460 -0.436 0.000 0.978 577 Y HN 0.026 nan 8.280 nan 0.000 0.513 578 F N -0.303 119.595 119.950 -0.087 0.000 2.367 578 F HA 0.043 4.570 4.527 -0.001 0.000 0.298 578 F C 2.480 178.233 175.800 -0.078 0.000 1.094 578 F CA 0.808 58.746 58.000 -0.103 0.000 1.409 578 F CB -1.008 38.062 39.000 0.116 0.000 1.064 578 F HN 0.167 nan 8.300 nan 0.000 0.528 579 A N -0.541 122.354 122.820 0.124 0.000 1.897 579 A HA -0.205 4.114 4.320 -0.001 0.000 0.215 579 A C 2.114 179.695 177.584 -0.006 0.000 1.181 579 A CA 1.540 53.623 52.037 0.076 0.000 0.620 579 A CB -0.713 18.333 19.000 0.076 0.000 0.821 579 A HN 0.311 nan 8.150 nan 0.000 0.443 580 Q N 0.020 119.773 119.800 -0.079 0.000 2.002 580 Q HA -0.216 4.123 4.340 -0.001 0.000 0.204 580 Q C 1.978 177.894 176.000 -0.140 0.000 0.988 580 Q CA 2.387 58.122 55.803 -0.113 0.000 0.843 580 Q CB -0.432 28.210 28.738 -0.159 0.000 0.908 580 Q HN 0.634 nan 8.270 nan 0.000 0.420 581 E N -0.204 119.836 120.200 -0.267 0.000 2.086 581 E HA -0.253 4.097 4.350 -0.001 0.000 0.200 581 E C 1.712 178.273 176.600 -0.065 0.000 1.012 581 E CA 2.008 58.278 56.400 -0.218 0.000 0.812 581 E CB -0.750 28.753 29.700 -0.328 0.000 0.743 581 E HN 0.423 nan 8.360 nan 0.000 0.453 582 A N 0.320 123.132 122.820 -0.013 0.000 1.892 582 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 582 A C 2.419 180.009 177.584 0.010 0.000 1.188 582 A CA 1.769 53.822 52.037 0.026 0.000 0.631 582 A CB -0.864 18.168 19.000 0.053 0.000 0.822 582 A HN 0.359 nan 8.150 nan 0.000 0.447 583 L N -0.967 120.254 121.223 -0.004 0.000 1.994 583 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 583 L C 2.838 179.704 176.870 -0.008 0.000 1.071 583 L CA 1.901 56.739 54.840 -0.004 0.000 0.745 583 L CB -1.029 41.025 42.059 -0.008 0.000 0.892 583 L HN 0.359 nan 8.230 nan 0.000 0.431 584 T N -0.675 113.867 114.554 -0.021 0.000 2.778 584 T HA -0.167 4.182 4.350 -0.001 0.000 0.269 584 T C 1.892 176.589 174.700 -0.006 0.000 1.050 584 T CA 1.346 63.436 62.100 -0.017 0.000 1.137 584 T CB -0.207 68.642 68.868 -0.032 0.000 0.860 584 T HN 0.080 nan 8.240 nan 0.000 0.468 585 V N 0.959 120.872 119.914 -0.001 0.000 2.488 585 V HA 0.046 4.165 4.120 -0.001 0.000 0.246 585 V C 2.222 178.324 176.094 0.014 0.000 1.046 585 V CA 1.163 63.469 62.300 0.010 0.000 1.053 585 V CB -0.455 31.380 31.823 0.020 0.000 0.679 585 V HN 0.450 nan 8.190 nan 0.000 0.458 586 L N -0.208 121.023 121.223 0.013 0.000 2.554 586 L HA 0.081 4.421 4.340 -0.001 0.000 0.226 586 L C 1.422 178.299 176.870 0.011 0.000 1.137 586 L CA 0.585 55.434 54.840 0.015 0.000 0.863 586 L CB -0.193 41.876 42.059 0.017 0.000 0.985 586 L HN 0.422 nan 8.230 nan 0.000 0.451 587 S N -0.851 114.854 115.700 0.008 0.000 3.171 587 S HA -0.160 4.310 4.470 -0.001 0.000 0.279 587 S C 0.875 175.478 174.600 0.005 0.000 1.294 587 S CA 0.610 58.814 58.200 0.006 0.000 1.077 587 S CB -1.681 61.523 63.200 0.008 0.000 1.298 587 S HN 0.395 nan 8.310 nan 0.000 0.666 588 L N -0.119 121.107 121.223 0.006 0.000 2.612 588 L HA 0.433 4.772 4.340 -0.001 0.000 0.230 588 L C 1.244 178.116 176.870 0.003 0.000 1.140 588 L CA 0.436 55.280 54.840 0.006 0.000 0.896 588 L CB -0.552 41.511 42.059 0.008 0.000 1.065 588 L HN 0.474 nan 8.230 nan 0.000 0.447 589 A N 0.000 122.820 122.820 0.001 0.000 2.254 589 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 589 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 589 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 589 A HN 0.000 nan 8.150 nan 0.000 0.486