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 3d2d_1_A DATA FIRST_RESID 21 DATA SEQUENCE AEAGNDLLSc LTFNGVRNHT VFSADSDSDF NRFLHLSIQN PLFQNSLISK DATA SEQUENCE PSAIILPGSK EELSNTIRcI RKGSWTIRLR SGGHSYEGLS YTSDTPFILI DATA SEQUENCE DLMNLNRVSI DLESETAWVE SGSTLGELYY AITESSSKLG FTAGWCPTVG DATA SEQUENCE TGGHISGGGF GMMSRKYGLA ADNVVDAILI DANGAILDRQ AMGEDVFWAI DATA SEQUENCE RGGGGGVWGA IYAWKIKLLP VPEKVTVFRV TKNVAIDEAT SLLHKWQFVA DATA SEQUENCE EELEEDFTLS VLGGADEKQV WLTMLGFHFG LKTVAKSTFD LLFPELGLVE DATA SEQUENCE EDYLEMSWGE SFAYLAGLET VSQLNNRFLK FDERAFKTKV DLTKEPLPSK DATA SEQUENCE AFYGLLERLS KEPNGFIALN GFGGQMSKIS SDFTPFPHRS GTRLMVEYIV DATA SEQUENCE AWNQSEQKKK TEFLDWLEKV YEFMKPFVSK NPRLGYVNHI DLDLGGIDWG DATA SEQUENCE NKTVVNNAIE ISRSWGESYF LSNYERLIRA KTLIDPNNVF NHPQSIPPMA 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 21 A HA 0.000 nan 4.320 nan 0.000 0.244 21 A C 0.000 177.681 177.584 0.161 0.000 1.274 21 A CA 0.000 52.049 52.037 0.020 0.000 0.836 21 A CB 0.000 18.928 19.000 -0.119 0.000 0.831 22 E N 1.994 122.274 120.200 0.133 0.000 2.410 22 E HA 0.497 4.846 4.350 -0.002 0.000 0.255 22 E C 0.221 177.022 176.600 0.335 0.000 1.194 22 E CA 0.092 56.589 56.400 0.162 0.000 0.955 22 E CB 0.989 30.747 29.700 0.096 0.000 0.988 22 E HN 1.394 nan 8.360 nan 0.000 0.461 23 A N 1.828 124.761 122.820 0.189 0.000 2.736 23 A HA 0.518 4.837 4.320 -0.002 0.000 0.335 23 A C 0.468 178.116 177.584 0.108 0.000 1.446 23 A CA -0.069 52.038 52.037 0.117 0.000 1.028 23 A CB -0.185 18.742 19.000 -0.122 0.000 1.154 23 A HN 0.649 nan 8.150 nan 0.000 0.507 24 G N 0.572 109.493 108.800 0.201 0.000 2.489 24 G HA2 0.193 4.152 3.960 -0.002 0.000 0.271 24 G HA3 0.193 4.152 3.960 -0.002 0.000 0.271 24 G C 0.628 175.578 174.900 0.083 0.000 1.427 24 G CA -0.351 44.824 45.100 0.125 0.000 1.057 24 G HN 0.551 nan 8.290 nan 0.000 0.532 25 N N 0.057 118.797 118.700 0.066 0.000 2.396 25 N HA -0.059 4.680 4.740 -0.002 0.000 0.180 25 N C 1.516 177.054 175.510 0.046 0.000 1.028 25 N CA 0.668 53.747 53.050 0.048 0.000 0.893 25 N CB -0.023 38.487 38.487 0.038 0.000 0.967 25 N HN 0.390 nan 8.380 nan 0.000 0.440 26 D N 0.916 121.355 120.400 0.065 0.000 2.077 26 D HA -0.106 4.533 4.640 -0.002 0.000 0.196 26 D C 2.057 178.391 176.300 0.057 0.000 0.986 26 D CA 0.489 54.526 54.000 0.061 0.000 0.829 26 D CB -0.375 40.474 40.800 0.083 0.000 0.983 26 D HN 0.097 nan 8.370 nan 0.000 0.453 27 L N 1.014 122.290 121.223 0.089 0.000 1.989 27 L HA -0.154 4.185 4.340 -0.002 0.000 0.211 27 L C 2.250 179.056 176.870 -0.106 0.000 1.071 27 L CA 1.560 56.385 54.840 -0.025 0.000 0.749 27 L CB -0.800 41.142 42.059 -0.196 0.000 0.890 27 L HN 0.037 nan 8.230 nan 0.000 0.431 28 L N -1.171 120.000 121.223 -0.086 0.000 2.017 28 L HA -0.203 4.136 4.340 -0.002 0.000 0.208 28 L C 2.478 179.341 176.870 -0.011 0.000 1.073 28 L CA 1.508 56.297 54.840 -0.085 0.000 0.745 28 L CB -0.946 41.122 42.059 0.014 0.000 0.894 28 L HN 0.260 nan 8.230 nan 0.000 0.432 29 S N -0.824 114.889 115.700 0.022 0.000 2.382 29 S HA -0.228 4.241 4.470 -0.002 0.000 0.228 29 S C 2.147 176.793 174.600 0.077 0.000 1.027 29 S CA 1.413 59.646 58.200 0.054 0.000 0.991 29 S CB -0.584 62.638 63.200 0.036 0.000 0.823 29 S HN 0.544 nan 8.310 nan 0.000 0.469 30 c N 1.820 120.440 118.600 0.032 0.000 2.432 30 c HA -0.008 4.561 4.570 -0.002 0.000 0.277 30 c C 2.429 176.575 174.090 0.094 0.000 1.249 30 c CA 0.623 56.982 56.329 0.050 0.000 1.725 30 c CB -1.580 40.935 42.510 0.009 0.000 2.028 30 c HN 0.565 nan 8.230 nan 0.000 0.477 31 L N 0.144 121.363 121.223 -0.007 0.000 2.027 31 L HA -0.112 4.227 4.340 -0.002 0.000 0.206 31 L C 2.801 179.709 176.870 0.063 0.000 1.074 31 L CA 2.112 56.929 54.840 -0.037 0.000 0.745 31 L CB -1.349 40.541 42.059 -0.282 0.000 0.898 31 L HN 0.315 nan 8.230 nan 0.000 0.433 32 T N 0.057 114.672 114.554 0.101 0.000 2.684 32 T HA -0.253 4.096 4.350 -0.002 0.000 0.267 32 T C 1.622 176.388 174.700 0.111 0.000 1.036 32 T CA 1.775 63.949 62.100 0.123 0.000 1.148 32 T CB -0.435 68.507 68.868 0.123 0.000 0.863 32 T HN 0.270 nan 8.240 nan 0.000 0.436 33 F N 2.597 122.552 119.950 0.007 0.000 2.126 33 F HA -0.091 4.435 4.527 -0.002 0.000 0.299 33 F C 1.901 177.699 175.800 -0.003 0.000 1.096 33 F CA 1.198 59.199 58.000 0.002 0.000 1.255 33 F CB -0.299 38.700 39.000 -0.002 0.000 0.997 33 F HN 0.072 nan 8.300 nan 0.000 0.479 34 N N 0.305 119.055 118.700 0.083 0.000 2.461 34 N HA 0.072 4.811 4.740 -0.002 0.000 0.188 34 N C 1.377 176.844 175.510 -0.072 0.000 1.134 34 N CA 0.990 54.026 53.050 -0.024 0.000 0.878 34 N CB 0.027 38.580 38.487 0.108 0.000 0.972 34 N HN 0.525 nan 8.380 nan 0.000 0.456 35 G N 0.391 109.153 108.800 -0.062 0.000 2.143 35 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.248 35 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.248 35 G C 0.101 174.997 174.900 -0.006 0.000 0.991 35 G CA 0.085 45.156 45.100 -0.048 0.000 0.689 35 G HN 0.198 nan 8.290 nan 0.000 0.522 36 V N 1.002 120.931 119.914 0.026 0.000 2.153 36 V HA 0.253 4.372 4.120 -0.002 0.000 0.250 36 V C 1.716 177.900 176.094 0.151 0.000 1.334 36 V CA 0.303 62.636 62.300 0.055 0.000 1.249 36 V CB 0.248 32.090 31.823 0.031 0.000 1.371 36 V HN 0.452 nan 8.190 nan 0.000 0.498 37 R N 1.236 121.786 120.500 0.083 0.000 2.240 37 R HA 0.061 4.400 4.340 -0.002 0.000 0.203 37 R C 0.932 177.187 176.300 -0.075 0.000 1.011 37 R CA 0.116 56.241 56.100 0.041 0.000 1.007 37 R CB 0.123 30.415 30.300 -0.013 0.000 0.911 37 R HN 0.477 nan 8.270 nan 0.000 0.468 38 N N 1.869 120.559 118.700 -0.016 0.000 2.558 38 N HA 0.002 4.741 4.740 -0.002 0.000 0.233 38 N C -1.489 173.987 175.510 -0.057 0.000 1.038 38 N CA 0.055 53.040 53.050 -0.109 0.000 0.934 38 N CB 0.172 38.601 38.487 -0.098 0.000 1.175 38 N HN 0.305 nan 8.380 nan 0.000 0.512 39 H N -0.433 118.571 119.070 -0.110 0.000 3.121 39 H HA 0.313 4.868 4.556 -0.002 0.000 0.337 39 H C -1.496 173.803 175.328 -0.047 0.000 1.198 39 H CA -0.811 55.179 56.048 -0.097 0.000 1.274 39 H CB 0.509 30.227 29.762 -0.073 0.000 1.954 39 H HN 0.262 nan 8.280 nan 0.000 0.531 40 T N -0.129 114.493 114.554 0.113 0.000 2.908 40 T HA 0.603 4.952 4.350 -0.002 0.000 0.290 40 T C 0.361 175.215 174.700 0.256 0.000 1.034 40 T CA -0.499 61.702 62.100 0.168 0.000 1.010 40 T CB 1.901 70.910 68.868 0.235 0.000 1.068 40 T HN 0.728 nan 8.240 nan 0.000 0.481 41 V N 0.071 120.065 119.914 0.133 0.000 2.834 41 V HA 0.723 4.842 4.120 -0.002 0.000 0.313 41 V C 0.230 176.081 176.094 -0.405 0.000 1.060 41 V CA -1.448 60.844 62.300 -0.014 0.000 0.989 41 V CB 0.687 32.499 31.823 -0.018 0.000 1.041 41 V HN 0.889 nan 8.190 nan 0.000 0.459 42 F N 2.443 121.901 119.950 -0.820 0.000 2.635 42 F HA 0.383 4.909 4.527 -0.002 0.000 0.379 42 F C 0.672 175.914 175.800 -0.929 0.000 1.094 42 F CA 1.383 58.451 58.000 -1.553 0.000 1.300 42 F CB 0.458 39.031 39.000 -0.711 0.000 1.035 42 F HN 0.866 nan 8.300 nan 0.000 0.581 43 S N 4.501 119.092 115.700 -1.849 0.000 2.619 43 S HA 0.641 5.110 4.470 -0.002 0.000 0.280 43 S C 0.346 174.365 174.600 -0.968 0.000 1.150 43 S CA -0.270 57.356 58.200 -0.956 0.000 0.978 43 S CB 1.311 64.285 63.200 -0.377 0.000 1.041 43 S HN 1.044 nan 8.310 nan 0.000 0.485 44 A N 3.474 125.924 122.820 -0.617 0.000 2.067 44 A HA 0.100 4.418 4.320 -0.002 0.000 0.219 44 A C 0.864 178.368 177.584 -0.134 0.000 1.158 44 A CA 0.781 52.656 52.037 -0.270 0.000 0.661 44 A CB -0.457 18.516 19.000 -0.044 0.000 0.801 44 A HN 0.821 nan 8.150 nan 0.000 0.452 45 D N -0.945 119.374 120.400 -0.136 0.000 2.346 45 D HA 0.112 4.751 4.640 -0.002 0.000 0.236 45 D C 1.017 177.295 176.300 -0.038 0.000 1.259 45 D CA 0.799 54.759 54.000 -0.066 0.000 0.898 45 D CB 1.052 41.816 40.800 -0.059 0.000 1.178 45 D HN 0.182 nan 8.370 nan 0.000 0.457 46 S N -0.495 115.187 115.700 -0.029 0.000 2.554 46 S HA -0.012 4.457 4.470 -0.002 0.000 0.227 46 S C 0.578 175.152 174.600 -0.044 0.000 1.050 46 S CA -0.227 57.953 58.200 -0.033 0.000 0.927 46 S CB 0.325 63.498 63.200 -0.044 0.000 0.859 46 S HN 0.296 nan 8.310 nan 0.000 0.494 47 D N 2.427 122.803 120.400 -0.040 0.000 2.328 47 D HA 0.112 4.751 4.640 -0.002 0.000 0.226 47 D C 0.771 177.048 176.300 -0.038 0.000 1.066 47 D CA 0.167 54.139 54.000 -0.046 0.000 0.861 47 D CB 0.175 40.951 40.800 -0.040 0.000 0.912 47 D HN 0.495 nan 8.370 nan 0.000 0.521 48 S N 0.238 115.929 115.700 -0.015 0.000 2.601 48 S HA 0.119 4.588 4.470 -0.002 0.000 0.271 48 S C 0.835 175.455 174.600 0.034 0.000 1.305 48 S CA -0.648 57.564 58.200 0.019 0.000 1.022 48 S CB 2.111 65.335 63.200 0.039 0.000 0.940 48 S HN -0.251 nan 8.310 nan 0.000 0.525 49 D N 0.740 121.186 120.400 0.077 0.000 2.117 49 D HA -0.053 4.586 4.640 -0.002 0.000 0.198 49 D C 1.361 177.817 176.300 0.261 0.000 0.982 49 D CA 1.006 55.071 54.000 0.108 0.000 0.828 49 D CB -0.488 40.476 40.800 0.273 0.000 0.967 49 D HN 0.626 nan 8.370 nan 0.000 0.464 50 F N 1.955 121.990 119.950 0.142 0.000 2.027 50 F HA -0.316 4.210 4.527 -0.002 0.000 0.297 50 F C 2.060 177.926 175.800 0.110 0.000 1.129 50 F CA 1.868 59.947 58.000 0.131 0.000 1.195 50 F CB -0.507 38.501 39.000 0.013 0.000 0.960 50 F HN -0.135 nan 8.300 nan 0.000 0.485 51 N N -0.050 118.757 118.700 0.178 0.000 2.223 51 N HA -0.213 4.526 4.740 -0.002 0.000 0.185 51 N C 2.043 177.577 175.510 0.039 0.000 1.016 51 N CA 1.301 54.412 53.050 0.102 0.000 0.863 51 N CB -0.306 38.286 38.487 0.175 0.000 0.983 51 N HN 0.399 nan 8.380 nan 0.000 0.429 52 R N -1.013 119.449 120.500 -0.064 0.000 2.062 52 R HA -0.048 4.290 4.340 -0.002 0.000 0.229 52 R C 1.448 177.598 176.300 -0.250 0.000 1.128 52 R CA 1.230 57.210 56.100 -0.200 0.000 0.960 52 R CB -0.330 29.756 30.300 -0.357 0.000 0.855 52 R HN 0.183 nan 8.270 nan 0.000 0.432 53 F N 0.700 120.572 119.950 -0.129 0.000 2.293 53 F HA -0.112 4.414 4.527 -0.002 0.000 0.300 53 F C 2.018 177.705 175.800 -0.189 0.000 1.086 53 F CA 0.672 58.588 58.000 -0.139 0.000 1.375 53 F CB -0.388 38.540 39.000 -0.120 0.000 1.045 53 F HN 0.111 nan 8.300 nan 0.000 0.516 54 L N -0.493 120.645 121.223 -0.141 0.000 2.005 54 L HA -0.176 4.163 4.340 -0.002 0.000 0.207 54 L C 2.245 178.938 176.870 -0.294 0.000 1.072 54 L CA 2.075 56.742 54.840 -0.289 0.000 0.744 54 L CB -0.897 40.872 42.059 -0.483 0.000 0.895 54 L HN 0.160 nan 8.230 nan 0.000 0.433 55 H N -0.942 118.030 119.070 -0.164 0.000 2.547 55 H HA 0.058 4.612 4.556 -0.002 0.000 0.266 55 H C 1.789 177.033 175.328 -0.139 0.000 0.988 55 H CA 0.372 56.330 56.048 -0.150 0.000 1.147 55 H CB 0.535 30.233 29.762 -0.107 0.000 1.365 55 H HN 0.264 nan 8.280 nan 0.000 0.589 56 L N 0.274 121.473 121.223 -0.040 0.000 2.156 56 L HA -0.010 4.329 4.340 -0.002 0.000 0.208 56 L C 1.256 178.174 176.870 0.080 0.000 1.095 56 L CA 1.462 56.288 54.840 -0.023 0.000 0.770 56 L CB 0.179 42.213 42.059 -0.042 0.000 0.914 56 L HN -0.080 nan 8.230 nan 0.000 0.439 57 S N -1.015 114.677 115.700 -0.014 0.000 2.754 57 S HA 0.377 4.845 4.470 -0.002 0.000 0.247 57 S C 0.516 174.962 174.600 -0.258 0.000 1.031 57 S CA -0.439 57.737 58.200 -0.040 0.000 1.014 57 S CB 0.126 63.341 63.200 0.026 0.000 0.918 57 S HN 0.141 nan 8.310 nan 0.000 0.519 58 I N 3.156 123.504 120.570 -0.369 0.000 2.278 58 I HA 0.092 4.261 4.170 -0.002 0.000 0.300 58 I C 1.088 177.098 176.117 -0.178 0.000 1.174 58 I CA -0.132 60.853 61.300 -0.525 0.000 1.347 58 I CB 0.441 38.153 38.000 -0.480 0.000 1.473 58 I HN 0.127 nan 8.210 nan 0.000 0.595 59 Q N 2.694 122.400 119.800 -0.157 0.000 2.482 59 Q HA 0.022 4.361 4.340 -0.002 0.000 0.209 59 Q C 0.247 176.304 176.000 0.095 0.000 0.961 59 Q CA 0.485 56.194 55.803 -0.157 0.000 0.945 59 Q CB -0.169 28.137 28.738 -0.720 0.000 1.012 59 Q HN 0.495 nan 8.270 nan 0.000 0.515 60 N N 0.764 119.553 118.700 0.149 0.000 2.626 60 N HA 0.189 4.928 4.740 -0.002 0.000 0.249 60 N C -2.284 173.293 175.510 0.112 0.000 1.021 60 N CA -2.144 50.979 53.050 0.121 0.000 0.886 60 N CB 1.552 40.043 38.487 0.007 0.000 1.149 60 N HN -0.248 nan 8.380 nan 0.000 0.517 61 P HA -0.144 nan 4.420 nan 0.000 0.222 61 P C 1.461 178.734 177.300 -0.045 0.000 1.142 61 P CA 0.425 63.531 63.100 0.010 0.000 0.788 61 P CB 0.358 32.032 31.700 -0.043 0.000 0.767 62 L N -1.955 119.146 121.223 -0.203 0.000 2.261 62 L HA -0.085 4.254 4.340 -0.002 0.000 0.216 62 L C 1.148 177.737 176.870 -0.468 0.000 1.114 62 L CA 1.832 56.443 54.840 -0.382 0.000 0.777 62 L CB -0.998 40.658 42.059 -0.671 0.000 0.910 62 L HN -0.091 nan 8.230 nan 0.000 0.440 63 F N -1.447 118.549 119.950 0.077 0.000 2.683 63 F HA 0.183 4.709 4.527 -0.002 0.000 0.306 63 F C 1.852 177.756 175.800 0.174 0.000 1.102 63 F CA 0.038 58.127 58.000 0.148 0.000 1.244 63 F CB -0.292 38.846 39.000 0.229 0.000 1.029 63 F HN 0.229 nan 8.300 nan 0.000 0.545 64 Q N -0.345 119.611 119.800 0.259 0.000 2.444 64 Q HA 0.043 4.381 4.340 -0.002 0.000 0.206 64 Q C -0.150 176.024 176.000 0.289 0.000 0.948 64 Q CA 0.098 56.079 55.803 0.296 0.000 0.946 64 Q CB -0.312 28.573 28.738 0.246 0.000 1.027 64 Q HN 0.155 nan 8.270 nan 0.000 0.513 65 N N 1.749 120.576 118.700 0.212 0.000 2.345 65 N HA -0.100 4.639 4.740 -0.002 0.000 0.243 65 N C 0.304 175.939 175.510 0.209 0.000 1.246 65 N CA 0.474 53.630 53.050 0.177 0.000 0.863 65 N CB 1.052 39.621 38.487 0.138 0.000 1.096 65 N HN 0.143 nan 8.380 nan 0.000 0.446 66 S N 0.732 116.537 115.700 0.174 0.000 2.607 66 S HA 0.060 4.529 4.470 -0.002 0.000 0.224 66 S C 1.229 175.936 174.600 0.179 0.000 0.969 66 S CA 0.179 58.490 58.200 0.185 0.000 0.927 66 S CB -0.076 63.208 63.200 0.140 0.000 0.772 66 S HN 0.400 nan 8.310 nan 0.000 0.533 67 L N 1.150 122.469 121.223 0.161 0.000 2.590 67 L HA 0.384 4.723 4.340 -0.002 0.000 0.227 67 L C 0.580 177.545 176.870 0.159 0.000 1.099 67 L CA 0.141 55.066 54.840 0.143 0.000 0.872 67 L CB -0.098 42.027 42.059 0.111 0.000 1.088 67 L HN 0.262 nan 8.230 nan 0.000 0.479 68 I N -0.834 119.853 120.570 0.194 0.000 3.327 68 I HA 0.009 4.178 4.170 -0.002 0.000 0.280 68 I C 0.883 177.135 176.117 0.225 0.000 1.207 68 I CA 0.056 61.485 61.300 0.216 0.000 1.280 68 I CB -0.130 38.037 38.000 0.278 0.000 1.417 68 I HN 0.038 nan 8.210 nan 0.000 0.639 69 S N 2.447 118.280 115.700 0.223 0.000 2.549 69 S HA 0.279 4.748 4.470 -0.002 0.000 0.279 69 S C -0.051 174.796 174.600 0.413 0.000 1.321 69 S CA -0.538 57.828 58.200 0.278 0.000 1.054 69 S CB 0.492 63.823 63.200 0.218 0.000 0.899 69 S HN 0.367 nan 8.310 nan 0.000 0.497 70 K N 2.294 122.942 120.400 0.414 0.000 2.427 70 K HA 0.474 4.793 4.320 -0.002 0.000 0.252 70 K C -2.946 173.729 176.600 0.125 0.000 0.931 70 K CA -2.122 54.412 56.287 0.412 0.000 0.793 70 K CB 1.679 34.504 32.500 0.541 0.000 1.211 70 K HN 0.280 nan 8.250 nan 0.000 0.426 71 P HA 0.101 nan 4.420 nan 0.000 0.272 71 P C -0.094 177.130 177.300 -0.128 0.000 1.230 71 P CA -0.232 62.434 63.100 -0.725 0.000 0.788 71 P CB 0.801 32.191 31.700 -0.516 0.000 0.949 72 S N -0.287 115.261 115.700 -0.252 0.000 2.436 72 S HA 0.270 4.739 4.470 -0.002 0.000 0.228 72 S C 0.713 175.274 174.600 -0.065 0.000 1.014 72 S CA 0.830 58.951 58.200 -0.133 0.000 0.950 72 S CB -0.148 62.995 63.200 -0.095 0.000 0.784 72 S HN 0.730 nan 8.310 nan 0.000 0.504 73 A N 0.533 123.328 122.820 -0.042 0.000 2.612 73 A HA 0.736 5.055 4.320 -0.002 0.000 0.293 73 A C -1.652 176.003 177.584 0.119 0.000 1.075 73 A CA -0.725 51.356 52.037 0.074 0.000 0.680 73 A CB 0.928 19.859 19.000 -0.115 0.000 1.279 73 A HN 0.204 nan 8.150 nan 0.000 0.411 74 I N 1.663 122.346 120.570 0.189 0.000 2.418 74 I HA 0.438 4.607 4.170 -0.002 0.000 0.287 74 I C -0.974 175.158 176.117 0.025 0.000 1.008 74 I CA -0.292 61.041 61.300 0.055 0.000 1.104 74 I CB 1.633 39.618 38.000 -0.024 0.000 1.264 74 I HN 0.475 nan 8.210 nan 0.000 0.438 75 I N 6.764 127.331 120.570 -0.005 0.000 2.404 75 I HA 0.334 4.503 4.170 -0.002 0.000 0.293 75 I C -0.843 175.260 176.117 -0.023 0.000 0.992 75 I CA -0.748 60.555 61.300 0.005 0.000 1.149 75 I CB 1.944 39.927 38.000 -0.028 0.000 1.315 75 I HN 0.336 nan 8.210 nan 0.000 0.446 76 L N 8.346 129.542 121.223 -0.044 0.000 2.435 76 L HA 0.394 4.733 4.340 -0.002 0.000 0.253 76 L C -2.180 174.679 176.870 -0.019 0.000 1.087 76 L CA -1.449 53.358 54.840 -0.056 0.000 0.950 76 L CB 0.298 42.270 42.059 -0.145 0.000 1.304 76 L HN 0.317 nan 8.230 nan 0.000 0.453 77 P HA 0.122 nan 4.420 nan 0.000 0.269 77 P C 0.589 177.903 177.300 0.023 0.000 1.215 77 P CA 0.017 63.126 63.100 0.016 0.000 0.780 77 P CB 1.287 33.002 31.700 0.024 0.000 0.898 78 G N -0.333 108.478 108.800 0.018 0.000 3.441 78 G HA2 0.286 4.245 3.960 -0.002 0.000 0.263 78 G HA3 0.286 4.245 3.960 -0.002 0.000 0.263 78 G C -0.008 174.912 174.900 0.034 0.000 1.014 78 G CA 0.066 45.183 45.100 0.029 0.000 0.833 78 G HN 0.726 nan 8.290 nan 0.000 0.514 79 S N -0.865 114.840 115.700 0.009 0.000 2.596 79 S HA 0.391 4.860 4.470 -0.002 0.000 0.270 79 S C 0.880 175.384 174.600 -0.161 0.000 1.155 79 S CA -0.173 57.997 58.200 -0.050 0.000 0.827 79 S CB 1.733 64.883 63.200 -0.084 0.000 1.130 79 S HN 0.206 nan 8.310 nan 0.000 0.467 80 K N 0.720 120.825 120.400 -0.491 0.000 2.097 80 K HA -0.116 4.203 4.320 -0.002 0.000 0.206 80 K C 1.439 177.844 176.600 -0.324 0.000 1.049 80 K CA 1.720 57.577 56.287 -0.716 0.000 0.933 80 K CB -0.418 31.223 32.500 -1.432 0.000 0.717 80 K HN 0.693 nan 8.250 nan 0.000 0.442 81 E N 1.639 121.691 120.200 -0.246 0.000 2.208 81 E HA -0.160 4.189 4.350 -0.002 0.000 0.193 81 E C 1.575 178.124 176.600 -0.085 0.000 0.988 81 E CA 1.003 57.318 56.400 -0.142 0.000 0.828 81 E CB -0.187 29.439 29.700 -0.122 0.000 0.763 81 E HN 0.566 nan 8.360 nan 0.000 0.478 82 E N 0.520 120.673 120.200 -0.079 0.000 2.106 82 E HA -0.108 4.241 4.350 -0.002 0.000 0.192 82 E C 2.082 178.670 176.600 -0.021 0.000 0.984 82 E CA 0.569 56.946 56.400 -0.039 0.000 0.806 82 E CB -0.080 29.604 29.700 -0.027 0.000 0.750 82 E HN 0.103 nan 8.360 nan 0.000 0.458 83 L N 0.876 122.083 121.223 -0.027 0.000 2.027 83 L HA -0.158 4.181 4.340 -0.002 0.000 0.206 83 L C 2.412 179.291 176.870 0.015 0.000 1.074 83 L CA 1.911 56.756 54.840 0.008 0.000 0.745 83 L CB -0.869 41.205 42.059 0.025 0.000 0.898 83 L HN -0.032 nan 8.230 nan 0.000 0.433 84 S N -0.175 115.516 115.700 -0.015 0.000 2.353 84 S HA -0.228 4.241 4.470 -0.002 0.000 0.222 84 S C 1.881 176.494 174.600 0.021 0.000 1.035 84 S CA 1.791 59.994 58.200 0.005 0.000 1.025 84 S CB -0.472 62.713 63.200 -0.026 0.000 0.902 84 S HN 0.664 nan 8.310 nan 0.000 0.440 85 N N 0.773 119.478 118.700 0.009 0.000 2.223 85 N HA -0.046 4.693 4.740 -0.002 0.000 0.185 85 N C 1.800 177.323 175.510 0.020 0.000 1.016 85 N CA 1.654 54.718 53.050 0.023 0.000 0.863 85 N CB -1.286 37.216 38.487 0.025 0.000 0.983 85 N HN 0.477 nan 8.380 nan 0.000 0.429 86 T N 1.935 116.496 114.554 0.011 0.000 2.684 86 T HA -0.008 4.341 4.350 -0.002 0.000 0.267 86 T C 2.097 176.805 174.700 0.014 0.000 1.036 86 T CA 0.771 62.870 62.100 -0.003 0.000 1.148 86 T CB -0.216 68.653 68.868 0.001 0.000 0.863 86 T HN 0.188 nan 8.240 nan 0.000 0.436 87 I N 0.607 121.207 120.570 0.050 0.000 2.286 87 I HA -0.185 3.984 4.170 -0.002 0.000 0.248 87 I C 2.777 178.919 176.117 0.043 0.000 1.115 87 I CA 1.294 62.636 61.300 0.069 0.000 1.392 87 I CB -0.354 37.734 38.000 0.146 0.000 1.065 87 I HN 0.157 nan 8.210 nan 0.000 0.418 88 R N -0.129 120.396 120.500 0.042 0.000 2.081 88 R HA -0.140 4.199 4.340 -0.002 0.000 0.235 88 R C 2.443 178.765 176.300 0.037 0.000 1.131 88 R CA 1.713 57.834 56.100 0.036 0.000 0.960 88 R CB -0.591 29.731 30.300 0.038 0.000 0.856 88 R HN 0.411 nan 8.270 nan 0.000 0.436 89 c N 0.519 119.137 118.600 0.030 0.000 2.446 89 c HA -0.017 4.551 4.570 -0.002 0.000 0.277 89 c C 2.536 176.672 174.090 0.077 0.000 1.275 89 c CA 0.367 56.715 56.329 0.031 0.000 1.727 89 c CB -0.683 41.818 42.510 -0.014 0.000 2.010 89 c HN 0.434 nan 8.230 nan 0.000 0.486 90 I N 0.419 121.021 120.570 0.053 0.000 2.454 90 I HA -0.170 3.999 4.170 -0.002 0.000 0.254 90 I C 2.600 178.857 176.117 0.234 0.000 1.156 90 I CA 1.141 62.529 61.300 0.146 0.000 1.433 90 I CB -0.486 37.547 38.000 0.055 0.000 1.082 90 I HN 0.300 nan 8.210 nan 0.000 0.432 91 R N 1.053 121.616 120.500 0.104 0.000 2.235 91 R HA -0.055 4.284 4.340 -0.002 0.000 0.213 91 R C 1.903 178.236 176.300 0.053 0.000 1.059 91 R CA 0.706 56.837 56.100 0.051 0.000 0.997 91 R CB -0.243 30.060 30.300 0.005 0.000 0.884 91 R HN 0.427 nan 8.270 nan 0.000 0.462 92 K N -0.281 120.174 120.400 0.093 0.000 2.365 92 K HA 0.002 4.321 4.320 -0.002 0.000 0.199 92 K C 1.264 177.883 176.600 0.032 0.000 1.045 92 K CA 0.807 57.131 56.287 0.062 0.000 0.962 92 K CB 0.196 32.740 32.500 0.072 0.000 0.759 92 K HN 0.115 nan 8.250 nan 0.000 0.469 93 G N -0.116 108.732 108.800 0.080 0.000 2.795 93 G HA2 0.118 4.077 3.960 -0.002 0.000 0.267 93 G HA3 0.118 4.077 3.960 -0.002 0.000 0.267 93 G C 0.368 175.079 174.900 -0.315 0.000 1.362 93 G CA -0.337 44.569 45.100 -0.323 0.000 1.048 93 G HN 0.107 nan 8.290 nan 0.000 0.547 94 S N -1.642 113.689 115.700 -0.614 0.000 2.540 94 S HA 0.143 4.612 4.470 -0.002 0.000 0.218 94 S C 0.343 174.816 174.600 -0.212 0.000 0.977 94 S CA -0.590 57.402 58.200 -0.347 0.000 0.918 94 S CB -0.036 62.961 63.200 -0.339 0.000 0.806 94 S HN 0.468 nan 8.310 nan 0.000 0.496 95 W N 2.789 124.081 121.300 -0.013 0.000 2.209 95 W HA 0.185 4.844 4.660 -0.002 0.000 0.344 95 W C 0.254 176.783 176.519 0.017 0.000 1.285 95 W CA -0.286 57.067 57.345 0.013 0.000 1.267 95 W CB -0.203 29.261 29.460 0.008 0.000 1.167 95 W HN 0.035 nan 8.180 nan 0.000 0.574 96 T N 3.892 118.630 114.554 0.307 0.000 2.897 96 T HA 0.326 4.675 4.350 -0.002 0.000 0.294 96 T C 0.375 175.216 174.700 0.234 0.000 1.004 96 T CA -0.426 61.794 62.100 0.200 0.000 1.106 96 T CB 0.610 69.587 68.868 0.182 0.000 0.949 96 T HN 0.058 nan 8.240 nan 0.000 0.520 97 I N 3.654 124.286 120.570 0.103 0.000 2.365 97 I HA 0.369 4.538 4.170 -0.002 0.000 0.291 97 I C 0.575 176.801 176.117 0.182 0.000 1.004 97 I CA -0.545 60.828 61.300 0.122 0.000 1.311 97 I CB 0.599 38.588 38.000 -0.019 0.000 1.401 97 I HN 0.201 nan 8.210 nan 0.000 0.491 98 R N 7.025 127.675 120.500 0.251 0.000 2.451 98 R HA 0.564 4.903 4.340 -0.002 0.000 0.307 98 R C -1.094 175.321 176.300 0.192 0.000 0.965 98 R CA -0.784 55.442 56.100 0.210 0.000 0.865 98 R CB 1.738 32.204 30.300 0.278 0.000 1.174 98 R HN 0.570 nan 8.270 nan 0.000 0.455 99 L N 2.638 123.948 121.223 0.145 0.000 2.325 99 L HA 0.601 4.940 4.340 -0.002 0.000 0.279 99 L C 0.468 177.395 176.870 0.095 0.000 1.054 99 L CA -0.691 54.222 54.840 0.121 0.000 0.804 99 L CB 1.282 43.402 42.059 0.101 0.000 1.200 99 L HN 0.293 nan 8.230 nan 0.000 0.436 100 R N 0.791 121.352 120.500 0.101 0.000 2.533 100 R HA 0.340 4.679 4.340 -0.002 0.000 0.288 100 R C -0.204 176.149 176.300 0.088 0.000 1.039 100 R CA -0.142 56.020 56.100 0.103 0.000 0.909 100 R CB 2.180 32.563 30.300 0.137 0.000 1.195 100 R HN 0.769 nan 8.270 nan 0.000 0.438 101 S N 1.642 117.392 115.700 0.083 0.000 2.612 101 S HA 0.185 4.654 4.470 -0.002 0.000 0.193 101 S C 1.310 175.950 174.600 0.066 0.000 0.898 101 S CA 0.778 59.023 58.200 0.074 0.000 0.872 101 S CB 0.094 63.346 63.200 0.087 0.000 0.843 101 S HN 0.731 nan 8.310 nan 0.000 0.611 102 G N -1.108 107.741 108.800 0.082 0.000 2.796 102 G HA2 0.406 4.365 3.960 -0.002 0.000 0.210 102 G HA3 0.406 4.365 3.960 -0.002 0.000 0.210 102 G C 1.011 175.985 174.900 0.123 0.000 1.146 102 G CA 0.461 45.630 45.100 0.115 0.000 0.779 102 G HN 1.479 nan 8.290 nan 0.000 0.535 103 G N 0.101 108.969 108.800 0.114 0.000 2.176 103 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.252 103 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.252 103 G C 0.593 175.541 174.900 0.080 0.000 1.024 103 G CA 0.402 45.574 45.100 0.119 0.000 0.755 103 G HN 0.573 nan 8.290 nan 0.000 0.507 104 H N -0.070 119.029 119.070 0.049 0.000 2.524 104 H HA 0.244 4.799 4.556 -0.002 0.000 0.280 104 H C 1.592 176.900 175.328 -0.034 0.000 1.018 104 H CA 0.688 56.758 56.048 0.038 0.000 1.165 104 H CB 0.445 30.171 29.762 -0.060 0.000 1.411 104 H HN 0.428 nan 8.280 nan 0.000 0.569 105 S N 1.003 116.709 115.700 0.011 0.000 2.596 105 S HA -0.119 4.350 4.470 -0.002 0.000 0.298 105 S C 1.033 175.613 174.600 -0.035 0.000 1.255 105 S CA -0.411 57.708 58.200 -0.136 0.000 1.083 105 S CB 0.073 63.131 63.200 -0.236 0.000 0.837 105 S HN 0.233 nan 8.310 nan 0.000 0.499 106 Y N 2.856 123.152 120.300 -0.007 0.000 2.384 106 Y HA -0.006 4.543 4.550 -0.002 0.000 0.289 106 Y C 2.101 177.998 175.900 -0.006 0.000 1.152 106 Y CA 0.737 58.856 58.100 0.032 0.000 1.258 106 Y CB -0.058 38.460 38.460 0.097 0.000 0.979 106 Y HN 0.675 nan 8.280 nan 0.000 0.549 107 E N -1.268 118.917 120.200 -0.025 0.000 2.538 107 E HA 0.204 4.553 4.350 -0.002 0.000 0.207 107 E C 1.349 177.356 176.600 -0.988 0.000 1.002 107 E CA 0.486 56.760 56.400 -0.210 0.000 0.952 107 E CB 0.243 29.881 29.700 -0.104 0.000 1.031 107 E HN 0.335 nan 8.360 nan 0.000 0.476 108 G N 2.343 110.538 108.800 -1.008 0.000 2.341 108 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.292 108 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.292 108 G C 0.754 174.881 174.900 -1.287 0.000 1.021 108 G CA 0.400 44.598 45.100 -1.503 0.000 0.905 108 G HN 0.349 nan 8.290 nan 0.000 0.508 109 L N 0.369 121.141 121.223 -0.752 0.000 2.675 109 L HA 0.116 4.455 4.340 -0.002 0.000 0.239 109 L C 2.235 178.828 176.870 -0.462 0.000 1.151 109 L CA 1.093 55.603 54.840 -0.550 0.000 0.905 109 L CB -0.138 41.651 42.059 -0.450 0.000 1.057 109 L HN 0.542 nan 8.230 nan 0.000 0.435 110 S N -1.588 113.827 115.700 -0.475 0.000 2.540 110 S HA 0.020 4.489 4.470 -0.002 0.000 0.222 110 S C 0.802 175.401 174.600 -0.002 0.000 1.008 110 S CA -0.407 57.693 58.200 -0.166 0.000 0.939 110 S CB 0.124 63.321 63.200 -0.005 0.000 0.865 110 S HN 0.531 nan 8.310 nan 0.000 0.499 111 Y N 0.620 120.845 120.300 -0.125 0.000 2.863 111 Y HA 0.531 5.080 4.550 -0.002 0.000 0.254 111 Y C -0.048 175.818 175.900 -0.058 0.000 1.124 111 Y CA -0.502 57.610 58.100 0.020 0.000 1.203 111 Y CB -0.342 38.128 38.460 0.016 0.000 1.269 111 Y HN 0.247 nan 8.280 nan 0.000 0.586 112 T N -0.820 113.410 114.554 -0.540 0.000 2.896 112 T HA 0.819 5.168 4.350 -0.002 0.000 0.297 112 T C -0.566 173.668 174.700 -0.777 0.000 1.108 112 T CA -0.248 61.533 62.100 -0.532 0.000 1.004 112 T CB 2.138 70.776 68.868 -0.384 0.000 1.159 112 T HN 0.846 nan 8.240 nan 0.000 0.499 113 S N 0.559 115.904 115.700 -0.592 0.000 2.606 113 S HA 0.302 4.771 4.470 -0.002 0.000 0.290 113 S C -0.302 174.244 174.600 -0.091 0.000 1.103 113 S CA -0.721 57.259 58.200 -0.366 0.000 0.870 113 S CB 1.188 64.090 63.200 -0.495 0.000 1.077 113 S HN 0.612 nan 8.310 nan 0.000 0.448 114 D N 2.329 122.717 120.400 -0.019 0.000 2.116 114 D HA -0.024 4.615 4.640 -0.002 0.000 0.193 114 D C 1.388 177.736 176.300 0.080 0.000 0.998 114 D CA 2.371 56.394 54.000 0.039 0.000 0.836 114 D CB -0.579 40.244 40.800 0.038 0.000 0.951 114 D HN 0.916 nan 8.370 nan 0.000 0.449 115 T N -1.068 113.543 114.554 0.094 0.000 2.899 115 T HA 0.410 4.759 4.350 -0.002 0.000 0.284 115 T C -2.744 172.096 174.700 0.233 0.000 1.004 115 T CA -1.974 60.202 62.100 0.127 0.000 1.043 115 T CB 1.543 70.476 68.868 0.108 0.000 1.013 115 T HN -0.276 nan 8.240 nan 0.000 0.518 116 P HA 0.241 nan 4.420 nan 0.000 0.262 116 P C -0.795 176.764 177.300 0.432 0.000 1.182 116 P CA -0.005 63.262 63.100 0.279 0.000 0.761 116 P CB -0.158 31.648 31.700 0.178 0.000 0.795 117 F N 2.047 122.116 119.950 0.199 0.000 2.629 117 F HA 0.720 5.246 4.527 -0.002 0.000 0.316 117 F C -1.308 174.558 175.800 0.109 0.000 1.081 117 F CA -1.462 56.648 58.000 0.183 0.000 0.954 117 F CB 1.156 40.225 39.000 0.114 0.000 1.337 117 F HN -0.040 nan 8.300 nan 0.000 0.474 118 I N 3.407 124.000 120.570 0.039 0.000 2.377 118 I HA 0.334 4.503 4.170 -0.002 0.000 0.293 118 I C -0.907 175.229 176.117 0.032 0.000 0.987 118 I CA -0.766 60.432 61.300 -0.170 0.000 1.185 118 I CB 1.531 39.389 38.000 -0.236 0.000 1.341 118 I HN 0.614 nan 8.210 nan 0.000 0.455 119 L N 8.275 129.479 121.223 -0.032 0.000 2.255 119 L HA 0.472 4.811 4.340 -0.002 0.000 0.289 119 L C -0.345 176.570 176.870 0.074 0.000 1.046 119 L CA 0.070 54.986 54.840 0.126 0.000 0.816 119 L CB 0.257 42.390 42.059 0.123 0.000 1.197 119 L HN 0.339 nan 8.230 nan 0.000 0.427 120 I N 5.003 125.636 120.570 0.105 0.000 2.282 120 I HA 0.196 4.365 4.170 -0.002 0.000 0.290 120 I C 0.010 176.172 176.117 0.076 0.000 1.090 120 I CA -0.303 61.041 61.300 0.073 0.000 1.231 120 I CB 0.450 38.504 38.000 0.089 0.000 1.434 120 I HN 0.535 nan 8.210 nan 0.000 0.487 121 D N 6.794 127.223 120.400 0.049 0.000 2.312 121 D HA 0.197 4.836 4.640 -0.002 0.000 0.252 121 D C 0.451 176.780 176.300 0.047 0.000 1.150 121 D CA -0.109 53.922 54.000 0.052 0.000 0.870 121 D CB 1.631 42.451 40.800 0.033 0.000 1.153 121 D HN 0.476 nan 8.370 nan 0.000 0.457 122 L N 4.701 125.961 121.223 0.061 0.000 2.741 122 L HA 0.091 4.430 4.340 -0.002 0.000 0.237 122 L C 2.188 179.091 176.870 0.054 0.000 1.178 122 L CA -0.150 54.724 54.840 0.058 0.000 0.973 122 L CB -0.200 41.895 42.059 0.060 0.000 1.255 122 L HN 0.448 nan 8.230 nan 0.000 0.498 123 M N -2.208 117.429 119.600 0.062 0.000 2.279 123 M HA -0.084 4.395 4.480 -0.002 0.000 0.264 123 M C 1.196 177.534 176.300 0.063 0.000 1.062 123 M CA 1.639 56.979 55.300 0.067 0.000 1.099 123 M CB -0.495 32.184 32.600 0.131 0.000 1.394 123 M HN 0.106 nan 8.290 nan 0.000 0.426 124 N N 1.609 120.344 118.700 0.058 0.000 2.512 124 N HA 0.141 4.880 4.740 -0.002 0.000 0.183 124 N C 0.399 175.942 175.510 0.055 0.000 1.073 124 N CA 0.726 53.808 53.050 0.053 0.000 0.911 124 N CB -0.142 38.366 38.487 0.034 0.000 0.964 124 N HN 0.451 nan 8.380 nan 0.000 0.447 125 L N 2.103 123.361 121.223 0.057 0.000 2.536 125 L HA 0.202 4.541 4.340 -0.002 0.000 0.242 125 L C 0.295 177.181 176.870 0.027 0.000 1.280 125 L CA -0.322 54.555 54.840 0.062 0.000 1.221 125 L CB -0.325 41.784 42.059 0.083 0.000 1.449 125 L HN 0.071 nan 8.230 nan 0.000 0.405 126 N N 0.385 119.102 118.700 0.028 0.000 2.401 126 N HA 0.072 4.810 4.740 -0.002 0.000 0.264 126 N C 0.042 175.565 175.510 0.021 0.000 1.238 126 N CA -0.478 52.581 53.050 0.014 0.000 0.889 126 N CB 0.313 38.804 38.487 0.007 0.000 1.196 126 N HN 0.265 nan 8.380 nan 0.000 0.511 127 R N -0.022 120.493 120.500 0.025 0.000 2.297 127 R HA 0.498 4.837 4.340 -0.002 0.000 0.308 127 R C -0.737 175.584 176.300 0.034 0.000 1.029 127 R CA -0.637 55.485 56.100 0.036 0.000 0.929 127 R CB 1.799 32.126 30.300 0.046 0.000 1.046 127 R HN -0.070 nan 8.270 nan 0.000 0.461 128 V N 2.440 122.381 119.914 0.046 0.000 2.357 128 V HA 0.197 4.316 4.120 -0.002 0.000 0.284 128 V C -0.293 175.838 176.094 0.063 0.000 1.018 128 V CA -0.552 61.776 62.300 0.047 0.000 0.841 128 V CB 1.751 33.592 31.823 0.031 0.000 0.991 128 V HN 0.753 nan 8.190 nan 0.000 0.437 129 S N 6.323 122.080 115.700 0.096 0.000 2.474 129 S HA 0.574 5.042 4.470 -0.002 0.000 0.320 129 S C -0.157 174.501 174.600 0.096 0.000 1.067 129 S CA -0.300 57.964 58.200 0.106 0.000 1.127 129 S CB 0.266 63.552 63.200 0.144 0.000 0.971 129 S HN 0.539 nan 8.310 nan 0.000 0.472 130 I N 2.813 123.413 120.570 0.050 0.000 2.365 130 I HA 0.252 4.421 4.170 -0.002 0.000 0.291 130 I C -0.062 176.071 176.117 0.027 0.000 1.004 130 I CA -0.463 60.849 61.300 0.019 0.000 1.311 130 I CB 0.973 38.972 38.000 -0.002 0.000 1.401 130 I HN 0.385 nan 8.210 nan 0.000 0.491 131 D N 6.889 127.300 120.400 0.019 0.000 2.427 131 D HA 0.257 4.895 4.640 -0.002 0.000 0.226 131 D C 0.557 176.856 176.300 -0.002 0.000 1.076 131 D CA -0.290 53.723 54.000 0.022 0.000 0.849 131 D CB 1.354 42.179 40.800 0.042 0.000 1.052 131 D HN 0.429 nan 8.370 nan 0.000 0.515 132 L N 2.765 123.987 121.223 -0.002 0.000 2.552 132 L HA -0.015 4.324 4.340 -0.002 0.000 0.227 132 L C 1.765 178.628 176.870 -0.010 0.000 1.146 132 L CA 0.448 55.280 54.840 -0.012 0.000 0.858 132 L CB 0.133 42.185 42.059 -0.011 0.000 0.969 132 L HN 0.352 nan 8.230 nan 0.000 0.451 133 E N -0.129 120.070 120.200 -0.002 0.000 2.060 133 E HA -0.092 4.257 4.350 -0.002 0.000 0.189 133 E C 2.285 178.882 176.600 -0.004 0.000 0.974 133 E CA 1.503 57.903 56.400 -0.000 0.000 0.808 133 E CB -0.237 29.467 29.700 0.007 0.000 0.768 133 E HN 0.426 nan 8.360 nan 0.000 0.453 134 S N 0.052 115.749 115.700 -0.004 0.000 2.528 134 S HA 0.029 4.498 4.470 -0.002 0.000 0.219 134 S C 0.473 175.056 174.600 -0.028 0.000 0.985 134 S CA 0.135 58.329 58.200 -0.011 0.000 0.914 134 S CB -0.066 63.131 63.200 -0.006 0.000 0.776 134 S HN 0.214 nan 8.310 nan 0.000 0.526 135 E N 1.611 121.791 120.200 -0.033 0.000 2.320 135 E HA -0.160 4.189 4.350 -0.002 0.000 0.234 135 E C -0.091 176.467 176.600 -0.071 0.000 1.183 135 E CA 0.748 57.117 56.400 -0.052 0.000 0.713 135 E CB -2.159 27.508 29.700 -0.054 0.000 1.226 135 E HN 0.877 nan 8.360 nan 0.000 0.382 136 T N -3.265 111.244 114.554 -0.075 0.000 2.888 136 T HA 0.872 5.221 4.350 -0.002 0.000 0.288 136 T C -0.459 174.163 174.700 -0.130 0.000 1.063 136 T CA -0.349 61.678 62.100 -0.121 0.000 1.010 136 T CB 2.571 71.353 68.868 -0.144 0.000 1.214 136 T HN 0.453 nan 8.240 nan 0.000 0.533 137 A N -0.225 122.471 122.820 -0.207 0.000 2.488 137 A HA 0.595 4.914 4.320 -0.002 0.000 0.298 137 A C -1.951 175.500 177.584 -0.222 0.000 1.044 137 A CA -1.014 50.931 52.037 -0.154 0.000 0.693 137 A CB 0.907 19.815 19.000 -0.153 0.000 1.272 137 A HN 0.848 nan 8.150 nan 0.000 0.402 138 W N 2.611 123.883 121.300 -0.045 0.000 2.316 138 W HA 0.495 5.154 4.660 -0.002 0.000 0.339 138 W C -0.366 176.111 176.519 -0.070 0.000 1.002 138 W CA -0.224 57.095 57.345 -0.043 0.000 1.465 138 W CB 1.626 31.069 29.460 -0.028 0.000 1.300 138 W HN 0.457 nan 8.180 nan 0.000 0.378 139 V N 4.413 124.409 119.914 0.136 0.000 2.364 139 V HA 0.121 4.240 4.120 -0.002 0.000 0.272 139 V C 0.406 176.532 176.094 0.053 0.000 1.036 139 V CA -0.985 61.357 62.300 0.070 0.000 0.880 139 V CB 0.717 32.551 31.823 0.019 0.000 0.991 139 V HN 0.379 nan 8.190 nan 0.000 0.460 140 E N 2.611 122.781 120.200 -0.049 0.000 2.384 140 E HA 0.040 4.389 4.350 -0.002 0.000 0.266 140 E C 1.184 177.741 176.600 -0.071 0.000 1.012 140 E CA 0.396 56.674 56.400 -0.203 0.000 0.901 140 E CB 0.809 30.403 29.700 -0.176 0.000 0.967 140 E HN 0.880 nan 8.360 nan 0.000 0.435 141 S N 2.260 117.881 115.700 -0.131 0.000 2.462 141 S HA -0.171 4.297 4.470 -0.002 0.000 0.243 141 S C 1.769 176.408 174.600 0.065 0.000 1.003 141 S CA 0.994 59.208 58.200 0.023 0.000 0.970 141 S CB -0.234 62.919 63.200 -0.079 0.000 0.762 141 S HN 0.669 nan 8.310 nan 0.000 0.510 142 G N 1.241 110.053 108.800 0.020 0.000 2.403 142 G HA2 0.063 4.022 3.960 -0.002 0.000 0.216 142 G HA3 0.063 4.022 3.960 -0.002 0.000 0.216 142 G C 0.553 175.459 174.900 0.010 0.000 1.154 142 G CA 0.280 45.397 45.100 0.027 0.000 0.784 142 G HN 0.559 nan 8.290 nan 0.000 0.538 143 S N 1.159 116.862 115.700 0.005 0.000 2.563 143 S HA 0.296 4.765 4.470 -0.002 0.000 0.294 143 S C 0.792 175.367 174.600 -0.041 0.000 1.279 143 S CA 0.332 58.522 58.200 -0.018 0.000 1.069 143 S CB 0.630 63.823 63.200 -0.012 0.000 0.828 143 S HN 0.623 nan 8.310 nan 0.000 0.497 144 T N 1.226 115.729 114.554 -0.086 0.000 2.874 144 T HA 0.431 4.780 4.350 -0.002 0.000 0.281 144 T C 1.587 176.155 174.700 -0.220 0.000 0.994 144 T CA -1.031 60.987 62.100 -0.136 0.000 1.015 144 T CB 0.363 69.146 68.868 -0.143 0.000 1.028 144 T HN 0.380 nan 8.240 nan 0.000 0.523 145 L N 1.122 122.146 121.223 -0.332 0.000 1.997 145 L HA -0.088 4.251 4.340 -0.002 0.000 0.216 145 L C 3.061 179.520 176.870 -0.684 0.000 1.074 145 L CA 1.989 56.457 54.840 -0.621 0.000 0.763 145 L CB -1.554 40.161 42.059 -0.573 0.000 0.890 145 L HN 0.993 nan 8.230 nan 0.000 0.434 146 G N -0.315 108.328 108.800 -0.262 0.000 2.491 146 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.218 146 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.218 146 G C 1.412 176.334 174.900 0.037 0.000 1.180 146 G CA 0.942 46.045 45.100 0.005 0.000 0.774 146 G HN 0.464 nan 8.290 nan 0.000 0.562 147 E N -0.302 119.881 120.200 -0.029 0.000 2.204 147 E HA -0.090 4.259 4.350 -0.002 0.000 0.195 147 E C 2.358 179.003 176.600 0.076 0.000 0.990 147 E CA 0.658 57.076 56.400 0.030 0.000 0.821 147 E CB -0.119 29.567 29.700 -0.023 0.000 0.750 147 E HN 0.381 nan 8.360 nan 0.000 0.477 148 L N 0.068 121.266 121.223 -0.042 0.000 2.007 148 L HA -0.166 4.173 4.340 -0.002 0.000 0.205 148 L C 1.927 178.882 176.870 0.141 0.000 1.073 148 L CA 1.721 56.538 54.840 -0.038 0.000 0.744 148 L CB -0.716 41.222 42.059 -0.202 0.000 0.898 148 L HN 0.033 nan 8.230 nan 0.000 0.435 149 Y N -1.044 119.389 120.300 0.221 0.000 2.193 149 Y HA -0.304 4.245 4.550 -0.002 0.000 0.285 149 Y C 2.641 178.703 175.900 0.271 0.000 1.166 149 Y CA 1.670 59.955 58.100 0.308 0.000 1.181 149 Y CB -1.574 36.981 38.460 0.160 0.000 0.976 149 Y HN 0.352 nan 8.280 nan 0.000 0.520 150 Y N 0.175 120.624 120.300 0.248 0.000 2.145 150 Y HA -0.191 4.358 4.550 -0.002 0.000 0.286 150 Y C 2.501 178.489 175.900 0.146 0.000 1.145 150 Y CA 1.345 59.543 58.100 0.164 0.000 1.148 150 Y CB -0.707 37.816 38.460 0.106 0.000 0.981 150 Y HN 0.041 nan 8.280 nan 0.000 0.507 151 A N 0.290 123.215 122.820 0.176 0.000 1.908 151 A HA -0.193 4.126 4.320 -0.002 0.000 0.218 151 A C 2.284 179.882 177.584 0.024 0.000 1.181 151 A CA 2.097 54.172 52.037 0.063 0.000 0.627 151 A CB -1.156 17.897 19.000 0.089 0.000 0.818 151 A HN 0.572 nan 8.150 nan 0.000 0.445 152 I N 0.032 120.668 120.570 0.109 0.000 2.202 152 I HA -0.216 3.953 4.170 -0.002 0.000 0.242 152 I C 2.830 178.999 176.117 0.086 0.000 1.091 152 I CA 1.832 63.188 61.300 0.094 0.000 1.368 152 I CB -0.615 37.468 38.000 0.138 0.000 1.058 152 I HN 0.542 nan 8.210 nan 0.000 0.410 153 T N -2.192 112.456 114.554 0.157 0.000 2.995 153 T HA -0.071 4.278 4.350 -0.002 0.000 0.269 153 T C 1.682 176.347 174.700 -0.059 0.000 1.091 153 T CA 0.711 62.871 62.100 0.100 0.000 1.128 153 T CB -0.199 68.752 68.868 0.138 0.000 0.891 153 T HN 0.223 nan 8.240 nan 0.000 0.492 154 E N 1.497 121.587 120.200 -0.183 0.000 2.268 154 E HA -0.052 4.297 4.350 -0.002 0.000 0.195 154 E C 2.361 178.903 176.600 -0.096 0.000 0.995 154 E CA 1.322 57.588 56.400 -0.224 0.000 0.836 154 E CB 0.004 29.498 29.700 -0.342 0.000 0.763 154 E HN 0.836 nan 8.360 nan 0.000 0.491 155 S N -1.623 114.043 115.700 -0.056 0.000 2.506 155 S HA 0.147 4.616 4.470 -0.002 0.000 0.219 155 S C 0.821 175.406 174.600 -0.025 0.000 1.031 155 S CA -0.221 57.960 58.200 -0.032 0.000 0.911 155 S CB 0.868 64.054 63.200 -0.023 0.000 0.812 155 S HN -0.008 nan 8.310 nan 0.000 0.497 156 S N 0.230 115.918 115.700 -0.020 0.000 2.543 156 S HA 0.504 4.973 4.470 -0.002 0.000 0.274 156 S C 0.039 174.638 174.600 -0.002 0.000 1.149 156 S CA 0.032 58.220 58.200 -0.020 0.000 0.866 156 S CB 1.459 64.636 63.200 -0.039 0.000 1.111 156 S HN 0.452 nan 8.310 nan 0.000 0.457 157 S N 2.590 118.288 115.700 -0.004 0.000 2.540 157 S HA 0.326 4.795 4.470 -0.002 0.000 0.218 157 S C 0.718 175.312 174.600 -0.010 0.000 0.977 157 S CA -0.220 57.989 58.200 0.015 0.000 0.918 157 S CB -0.128 63.077 63.200 0.009 0.000 0.806 157 S HN 0.633 nan 8.310 nan 0.000 0.496 158 K N 0.570 120.945 120.400 -0.042 0.000 2.387 158 K HA 0.458 4.777 4.320 -0.002 0.000 0.203 158 K C -0.562 175.973 176.600 -0.108 0.000 1.030 158 K CA -0.008 56.239 56.287 -0.067 0.000 1.099 158 K CB 0.526 32.995 32.500 -0.052 0.000 0.863 158 K HN 0.318 nan 8.250 nan 0.000 0.529 159 L N -0.340 120.793 121.223 -0.149 0.000 2.370 159 L HA 0.623 4.962 4.340 -0.002 0.000 0.266 159 L C 0.133 176.686 176.870 -0.528 0.000 1.002 159 L CA -0.925 53.764 54.840 -0.252 0.000 0.818 159 L CB 2.149 44.104 42.059 -0.173 0.000 1.325 159 L HN 0.066 nan 8.230 nan 0.000 0.418 160 G N 0.667 108.989 108.800 -0.798 0.000 2.782 160 G HA2 0.684 4.643 3.960 -0.002 0.000 0.304 160 G HA3 0.684 4.643 3.960 -0.002 0.000 0.304 160 G C -2.319 172.096 174.900 -0.808 0.000 1.315 160 G CA -0.319 43.752 45.100 -1.715 0.000 0.791 160 G HN 0.305 nan 8.290 nan 0.000 0.519 161 F N -0.493 118.966 119.950 -0.818 0.000 2.665 161 F HA 0.643 5.169 4.527 -0.002 0.000 0.308 161 F C -0.431 175.397 175.800 0.046 0.000 1.112 161 F CA -0.596 57.265 58.000 -0.232 0.000 0.972 161 F CB 2.319 41.316 39.000 -0.006 0.000 1.295 161 F HN 0.574 nan 8.300 nan 0.000 0.440 162 T N 3.884 117.949 114.554 -0.814 0.000 2.771 162 T HA 0.848 5.197 4.350 -0.002 0.000 0.291 162 T C -0.579 173.940 174.700 -0.301 0.000 0.954 162 T CA 0.606 62.477 62.100 -0.382 0.000 1.045 162 T CB 0.194 68.853 68.868 -0.348 0.000 0.917 162 T HN 1.257 nan 8.240 nan 0.000 0.484 163 A N 3.491 126.410 122.820 0.166 0.000 2.428 163 A HA 0.744 5.063 4.320 -0.002 0.000 0.304 163 A C 0.230 178.020 177.584 0.344 0.000 1.085 163 A CA -0.454 51.785 52.037 0.337 0.000 0.605 163 A CB -0.107 19.214 19.000 0.534 0.000 1.393 163 A HN 1.151 nan 8.150 nan 0.000 0.541 164 G N -0.708 108.275 108.800 0.304 0.000 2.732 164 G HA2 0.319 4.278 3.960 -0.002 0.000 0.244 164 G HA3 0.319 4.278 3.960 -0.002 0.000 0.244 164 G C 0.887 175.776 174.900 -0.018 0.000 1.226 164 G CA 0.474 45.583 45.100 0.015 0.000 0.860 164 G HN 1.457 nan 8.290 nan 0.000 0.583 165 W N -0.865 120.343 121.300 -0.153 0.000 2.863 165 W HA 0.160 4.818 4.660 -0.002 0.000 0.258 165 W C -0.293 176.074 176.519 -0.254 0.000 1.298 165 W CA -0.694 56.498 57.345 -0.256 0.000 1.451 165 W CB -1.173 28.102 29.460 -0.308 0.000 1.107 165 W HN 0.168 nan 8.180 nan 0.000 0.641 166 C N 4.626 123.278 119.300 -1.080 0.000 2.520 166 C HA 0.113 4.572 4.460 -0.002 0.000 0.369 166 C C -0.738 173.824 174.990 -0.712 0.000 1.244 166 C CA -0.687 57.579 59.018 -1.254 0.000 1.677 166 C CB -0.299 26.561 27.740 -1.468 0.000 2.324 166 C HN 0.037 nan 8.230 nan 0.000 0.557 167 P HA -0.053 nan 4.420 nan 0.000 0.230 167 P C 1.372 178.595 177.300 -0.129 0.000 1.158 167 P CA 1.256 64.280 63.100 -0.127 0.000 0.769 167 P CB -0.022 31.778 31.700 0.166 0.000 0.807 168 T N -5.184 109.250 114.554 -0.199 0.000 3.044 168 T HA 0.133 4.482 4.350 -0.002 0.000 0.250 168 T C 0.732 175.327 174.700 -0.174 0.000 1.081 168 T CA -0.120 61.963 62.100 -0.029 0.000 1.040 168 T CB -0.690 68.368 68.868 0.316 0.000 0.962 168 T HN -0.216 nan 8.240 nan 0.000 0.506 169 V N 2.699 122.252 119.914 -0.602 0.000 2.540 169 V HA 0.457 4.576 4.120 -0.002 0.000 0.297 169 V C 1.287 177.216 176.094 -0.275 0.000 1.024 169 V CA -0.297 61.650 62.300 -0.589 0.000 1.105 169 V CB 0.278 31.629 31.823 -0.787 0.000 0.938 169 V HN 0.603 nan 8.190 nan 0.000 0.482 170 G N 3.036 111.782 108.800 -0.091 0.000 2.432 170 G HA2 0.337 4.296 3.960 -0.002 0.000 0.257 170 G HA3 0.337 4.296 3.960 -0.002 0.000 0.257 170 G C 1.067 175.972 174.900 0.008 0.000 1.238 170 G CA 0.281 45.362 45.100 -0.032 0.000 0.838 170 G HN 0.910 nan 8.290 nan 0.000 0.547 171 T N -0.264 114.308 114.554 0.032 0.000 3.051 171 T HA -0.017 4.332 4.350 -0.002 0.000 0.269 171 T C 2.309 177.176 174.700 0.279 0.000 1.127 171 T CA 1.203 63.356 62.100 0.088 0.000 1.107 171 T CB -0.108 68.794 68.868 0.057 0.000 0.898 171 T HN 0.569 nan 8.240 nan 0.000 0.517 172 G N 1.731 110.701 108.800 0.282 0.000 2.511 172 G HA2 0.044 4.003 3.960 -0.002 0.000 0.216 172 G HA3 0.044 4.003 3.960 -0.002 0.000 0.216 172 G C 1.597 176.683 174.900 0.310 0.000 1.218 172 G CA 0.599 45.901 45.100 0.337 0.000 0.788 172 G HN 0.635 nan 8.290 nan 0.000 0.560 173 G N -1.349 107.552 108.800 0.169 0.000 2.838 173 G HA2 0.122 4.081 3.960 -0.002 0.000 0.210 173 G HA3 0.122 4.081 3.960 -0.002 0.000 0.210 173 G C 1.401 176.338 174.900 0.062 0.000 1.153 173 G CA 0.960 46.120 45.100 0.101 0.000 0.778 173 G HN 0.545 nan 8.290 nan 0.000 0.539 174 H N 0.957 120.001 119.070 -0.044 0.000 2.294 174 H HA 0.158 4.713 4.556 -0.002 0.000 0.306 174 H C 2.359 177.604 175.328 -0.139 0.000 1.065 174 H CA 1.188 57.175 56.048 -0.102 0.000 1.343 174 H CB -0.133 29.556 29.762 -0.122 0.000 1.396 174 H HN 0.221 nan 8.280 nan 0.000 0.506 175 I N -0.231 120.148 120.570 -0.317 0.000 2.614 175 I HA -0.182 3.987 4.170 -0.002 0.000 0.258 175 I C 2.105 177.883 176.117 -0.565 0.000 1.189 175 I CA 0.939 61.840 61.300 -0.666 0.000 1.462 175 I CB -0.235 36.977 38.000 -1.315 0.000 1.092 175 I HN 0.212 nan 8.210 nan 0.000 0.442 176 S N 0.711 116.313 115.700 -0.163 0.000 2.423 176 S HA -0.055 4.414 4.470 -0.002 0.000 0.231 176 S C 1.950 176.583 174.600 0.055 0.000 1.014 176 S CA 1.316 59.592 58.200 0.126 0.000 0.965 176 S CB -0.166 63.223 63.200 0.316 0.000 0.785 176 S HN 0.652 nan 8.310 nan 0.000 0.495 177 G N -0.687 108.090 108.800 -0.039 0.000 2.921 177 G HA2 0.499 4.458 3.960 -0.002 0.000 0.213 177 G HA3 0.499 4.458 3.960 -0.002 0.000 0.213 177 G C 0.717 175.649 174.900 0.052 0.000 1.143 177 G CA 0.507 45.606 45.100 -0.003 0.000 0.764 177 G HN 0.662 nan 8.290 nan 0.000 0.542 178 G N -0.912 107.828 108.800 -0.100 0.000 2.340 178 G HA2 0.431 4.390 3.960 -0.002 0.000 0.106 178 G HA3 0.431 4.390 3.960 -0.002 0.000 0.106 178 G C 0.560 175.271 174.900 -0.315 0.000 2.445 178 G CA 0.717 45.749 45.100 -0.114 0.000 1.363 178 G HN 1.834 nan 8.290 nan 0.000 0.412 179 G N -0.071 108.522 108.800 -0.345 0.000 2.788 179 G HA2 0.352 4.311 3.960 -0.002 0.000 0.301 179 G HA3 0.352 4.311 3.960 -0.002 0.000 0.301 179 G C -0.532 174.301 174.900 -0.112 0.000 1.000 179 G CA 0.283 45.022 45.100 -0.601 0.000 1.267 179 G HN 1.658 nan 8.290 nan 0.000 0.578 180 F N 2.525 122.429 119.950 -0.076 0.000 2.420 180 F HA 0.783 5.309 4.527 -0.001 0.000 0.342 180 F C 0.735 176.563 175.800 0.047 0.000 1.113 180 F CA 0.805 58.725 58.000 -0.133 0.000 1.059 180 F CB 1.529 40.347 39.000 -0.303 0.000 1.128 180 F HN 0.607 nan 8.300 nan 0.000 0.475 181 G N 4.676 113.064 108.800 -0.687 0.000 3.058 181 G HA2 0.218 4.176 3.960 -0.002 0.000 0.282 181 G HA3 0.218 4.176 3.960 -0.002 0.000 0.282 181 G C -0.072 174.477 174.900 -0.586 0.000 1.248 181 G CA -0.726 44.140 45.100 -0.390 0.000 0.822 181 G HN 0.469 nan 8.290 nan 0.000 0.579 182 M N 0.127 119.481 119.600 -0.411 0.000 2.562 182 M HA 0.250 4.729 4.480 -0.002 0.000 0.257 182 M C 1.764 177.839 176.300 -0.375 0.000 1.099 182 M CA 0.974 56.031 55.300 -0.405 0.000 1.099 182 M CB -0.453 31.807 32.600 -0.566 0.000 1.427 182 M HN 0.374 nan 8.290 nan 0.000 0.489 183 M N -1.707 117.720 119.600 -0.288 0.000 2.346 183 M HA 0.097 4.576 4.480 -0.002 0.000 0.280 183 M C 1.399 177.553 176.300 -0.243 0.000 1.075 183 M CA 0.053 55.236 55.300 -0.195 0.000 0.989 183 M CB 0.215 32.824 32.600 0.016 0.000 1.447 183 M HN 0.004 nan 8.290 nan 0.000 0.511 184 S N 0.847 116.304 115.700 -0.405 0.000 2.447 184 S HA -0.008 4.461 4.470 -0.002 0.000 0.233 184 S C 1.768 176.195 174.600 -0.289 0.000 1.006 184 S CA 0.948 58.893 58.200 -0.424 0.000 0.957 184 S CB -0.162 62.557 63.200 -0.803 0.000 0.773 184 S HN 0.492 nan 8.310 nan 0.000 0.507 185 R N 0.710 121.064 120.500 -0.245 0.000 2.235 185 R HA 0.040 4.379 4.340 -0.002 0.000 0.213 185 R C 2.016 178.204 176.300 -0.187 0.000 1.059 185 R CA 0.903 56.924 56.100 -0.131 0.000 0.997 185 R CB -0.010 30.272 30.300 -0.030 0.000 0.884 185 R HN 0.116 nan 8.270 nan 0.000 0.462 186 K N -1.249 118.963 120.400 -0.313 0.000 2.365 186 K HA 0.047 4.366 4.320 -0.002 0.000 0.195 186 K C 0.247 176.414 176.600 -0.722 0.000 1.079 186 K CA 0.829 56.764 56.287 -0.588 0.000 0.979 186 K CB 0.567 32.551 32.500 -0.860 0.000 0.929 186 K HN 0.003 nan 8.250 nan 0.000 0.523 187 Y N -0.942 119.209 120.300 -0.248 0.000 2.666 187 Y HA 0.388 4.937 4.550 -0.002 0.000 0.260 187 Y C 0.658 176.429 175.900 -0.215 0.000 1.089 187 Y CA -0.293 57.662 58.100 -0.241 0.000 1.246 187 Y CB 1.146 39.433 38.460 -0.289 0.000 1.353 187 Y HN 0.169 nan 8.280 nan 0.000 0.558 188 G N 0.994 109.742 108.800 -0.088 0.000 2.693 188 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.226 188 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.226 188 G C -0.268 174.530 174.900 -0.169 0.000 1.354 188 G CA -0.398 44.641 45.100 -0.101 0.000 0.873 188 G HN 0.154 nan 8.290 nan 0.000 0.562 189 L N 0.283 121.411 121.223 -0.159 0.000 2.475 189 L HA 0.477 4.816 4.340 -0.002 0.000 0.250 189 L C 2.484 179.213 176.870 -0.235 0.000 1.224 189 L CA -0.006 54.702 54.840 -0.221 0.000 0.821 189 L CB 0.044 41.946 42.059 -0.260 0.000 1.141 189 L HN 1.085 nan 8.230 nan 0.000 0.494 190 A N 0.848 123.515 122.820 -0.255 0.000 1.877 190 A HA -0.133 4.185 4.320 -0.002 0.000 0.216 190 A C 2.252 179.756 177.584 -0.134 0.000 1.186 190 A CA 1.759 53.659 52.037 -0.228 0.000 0.620 190 A CB -0.957 17.999 19.000 -0.073 0.000 0.822 190 A HN 0.875 nan 8.150 nan 0.000 0.443 191 A N -0.229 122.460 122.820 -0.218 0.000 2.125 191 A HA -0.127 4.192 4.320 -0.002 0.000 0.219 191 A C 1.442 178.955 177.584 -0.119 0.000 1.156 191 A CA 1.643 53.536 52.037 -0.239 0.000 0.671 191 A CB -0.509 18.316 19.000 -0.291 0.000 0.794 191 A HN 0.469 nan 8.150 nan 0.000 0.459 192 D N 0.110 120.500 120.400 -0.017 0.000 2.348 192 D HA -0.044 4.595 4.640 -0.002 0.000 0.216 192 D C 0.475 176.892 176.300 0.194 0.000 0.970 192 D CA 0.607 54.730 54.000 0.205 0.000 0.889 192 D CB -0.098 40.824 40.800 0.203 0.000 0.912 192 D HN 0.395 nan 8.370 nan 0.000 0.524 193 N N 0.177 118.919 118.700 0.071 0.000 2.351 193 N HA 0.070 4.809 4.740 -0.002 0.000 0.254 193 N C -0.743 174.851 175.510 0.139 0.000 1.241 193 N CA -0.010 53.103 53.050 0.106 0.000 0.883 193 N CB 2.097 40.612 38.487 0.046 0.000 1.202 193 N HN -0.082 nan 8.380 nan 0.000 0.512 194 V N 2.023 121.990 119.914 0.087 0.000 2.383 194 V HA 0.118 4.237 4.120 -0.002 0.000 0.275 194 V C 1.543 177.777 176.094 0.234 0.000 1.036 194 V CA -0.312 62.050 62.300 0.103 0.000 0.889 194 V CB 1.509 33.352 31.823 0.033 0.000 0.985 194 V HN 0.091 nan 8.190 nan 0.000 0.459 195 V N 0.433 120.457 119.914 0.183 0.000 3.431 195 V HA 0.429 4.548 4.120 -0.002 0.000 0.253 195 V C 0.346 176.502 176.094 0.104 0.000 1.184 195 V CA 0.750 63.154 62.300 0.173 0.000 1.104 195 V CB 0.524 32.360 31.823 0.022 0.000 0.799 195 V HN 0.776 nan 8.190 nan 0.000 0.462 196 D N -0.965 119.494 120.400 0.098 0.000 2.671 196 D HA 0.777 5.416 4.640 -0.002 0.000 0.273 196 D C -1.129 175.279 176.300 0.180 0.000 1.264 196 D CA 0.515 54.502 54.000 -0.022 0.000 0.788 196 D CB 2.069 42.801 40.800 -0.115 0.000 1.324 196 D HN 0.613 nan 8.370 nan 0.000 0.424 197 A N 0.638 123.645 122.820 0.311 0.000 2.586 197 A HA 0.612 4.931 4.320 -0.002 0.000 0.291 197 A C -1.682 176.102 177.584 0.333 0.000 1.062 197 A CA -0.620 51.626 52.037 0.347 0.000 0.666 197 A CB 0.806 19.964 19.000 0.262 0.000 1.281 197 A HN 0.394 nan 8.150 nan 0.000 0.421 198 I N 1.581 122.294 120.570 0.238 0.000 2.359 198 I HA 0.388 4.557 4.170 -0.002 0.000 0.284 198 I C -0.840 175.298 176.117 0.035 0.000 1.018 198 I CA -0.543 60.852 61.300 0.158 0.000 1.173 198 I CB 1.329 39.480 38.000 0.251 0.000 1.326 198 I HN 0.576 nan 8.210 nan 0.000 0.462 199 L N 8.379 129.614 121.223 0.019 0.000 2.317 199 L HA 0.603 4.942 4.340 -0.002 0.000 0.281 199 L C -0.697 176.174 176.870 0.001 0.000 1.024 199 L CA -0.089 54.735 54.840 -0.027 0.000 0.810 199 L CB 1.367 43.417 42.059 -0.015 0.000 1.240 199 L HN 0.389 nan 8.230 nan 0.000 0.427 200 I N 4.958 125.518 120.570 -0.016 0.000 2.354 200 I HA 0.267 4.436 4.170 -0.002 0.000 0.286 200 I C -0.428 175.720 176.117 0.051 0.000 1.007 200 I CA -0.871 60.441 61.300 0.020 0.000 1.167 200 I CB 1.125 39.142 38.000 0.029 0.000 1.320 200 I HN 0.690 nan 8.210 nan 0.000 0.458 201 D N 5.737 126.197 120.400 0.099 0.000 2.398 201 D HA 0.126 4.765 4.640 -0.002 0.000 0.264 201 D C 1.290 177.791 176.300 0.335 0.000 1.263 201 D CA -0.391 53.723 54.000 0.191 0.000 1.037 201 D CB 0.733 41.620 40.800 0.146 0.000 1.101 201 D HN 0.450 nan 8.370 nan 0.000 0.551 202 A N -0.513 122.525 122.820 0.363 0.000 2.070 202 A HA -0.175 4.144 4.320 -0.002 0.000 0.220 202 A C 1.489 179.132 177.584 0.097 0.000 1.159 202 A CA 1.096 53.256 52.037 0.206 0.000 0.656 202 A CB -0.656 18.388 19.000 0.074 0.000 0.800 202 A HN 0.533 nan 8.150 nan 0.000 0.453 203 N N -0.952 117.807 118.700 0.099 0.000 2.270 203 N HA 0.187 4.926 4.740 -0.002 0.000 0.198 203 N C 1.081 176.628 175.510 0.061 0.000 1.117 203 N CA 0.899 53.986 53.050 0.060 0.000 0.845 203 N CB 0.483 38.998 38.487 0.047 0.000 0.980 203 N HN 0.588 nan 8.380 nan 0.000 0.486 204 G N 0.424 109.276 108.800 0.087 0.000 2.148 204 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.254 204 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.254 204 G C 0.311 175.235 174.900 0.040 0.000 0.981 204 G CA 0.231 45.371 45.100 0.066 0.000 0.670 204 G HN 0.598 nan 8.290 nan 0.000 0.528 205 A N 0.286 123.134 122.820 0.047 0.000 2.522 205 A HA 0.548 4.867 4.320 -0.002 0.000 0.256 205 A C 0.727 178.322 177.584 0.018 0.000 1.086 205 A CA 0.221 52.275 52.037 0.028 0.000 0.763 205 A CB 0.001 19.024 19.000 0.037 0.000 1.024 205 A HN 0.818 nan 8.150 nan 0.000 0.502 206 I N 3.974 124.539 120.570 -0.007 0.000 2.322 206 I HA 0.195 4.364 4.170 -0.002 0.000 0.292 206 I C -0.515 175.596 176.117 -0.009 0.000 1.060 206 I CA 0.244 61.529 61.300 -0.025 0.000 1.309 206 I CB 0.184 38.140 38.000 -0.073 0.000 1.415 206 I HN 0.463 nan 8.210 nan 0.000 0.492 207 L N 6.367 127.598 121.223 0.012 0.000 2.333 207 L HA 0.431 4.770 4.340 -0.002 0.000 0.280 207 L C -0.278 176.618 176.870 0.044 0.000 1.004 207 L CA -0.970 53.885 54.840 0.025 0.000 0.820 207 L CB 1.567 43.649 42.059 0.038 0.000 1.247 207 L HN 0.548 nan 8.230 nan 0.000 0.416 208 D N 1.525 121.948 120.400 0.039 0.000 2.506 208 D HA 0.135 4.774 4.640 -0.002 0.000 0.272 208 D C 1.000 177.313 176.300 0.022 0.000 1.214 208 D CA -0.717 53.323 54.000 0.066 0.000 1.067 208 D CB 0.708 41.547 40.800 0.066 0.000 1.117 208 D HN 0.405 nan 8.370 nan 0.000 0.578 209 R N -0.822 119.642 120.500 -0.060 0.000 2.105 209 R HA -0.228 4.111 4.340 -0.002 0.000 0.239 209 R C 2.021 178.223 176.300 -0.164 0.000 1.135 209 R CA 1.677 57.614 56.100 -0.272 0.000 0.967 209 R CB -0.166 29.646 30.300 -0.813 0.000 0.861 209 R HN 0.675 nan 8.270 nan 0.000 0.442 210 Q N -0.483 119.254 119.800 -0.105 0.000 2.123 210 Q HA -0.089 4.250 4.340 -0.002 0.000 0.199 210 Q C 1.776 177.761 176.000 -0.025 0.000 0.966 210 Q CA 1.384 57.150 55.803 -0.062 0.000 0.845 210 Q CB -0.008 28.704 28.738 -0.043 0.000 0.907 210 Q HN 0.465 nan 8.270 nan 0.000 0.439 211 A N 1.219 124.032 122.820 -0.010 0.000 1.930 211 A HA -0.101 4.218 4.320 -0.002 0.000 0.215 211 A C 2.048 179.645 177.584 0.021 0.000 1.176 211 A CA 1.241 53.282 52.037 0.006 0.000 0.632 211 A CB -0.511 18.495 19.000 0.009 0.000 0.819 211 A HN 0.653 nan 8.150 nan 0.000 0.445 212 M N -2.042 117.577 119.600 0.032 0.000 2.506 212 M HA 0.386 4.865 4.480 -0.002 0.000 0.260 212 M C 0.977 177.314 176.300 0.061 0.000 1.104 212 M CA 0.871 56.205 55.300 0.057 0.000 1.112 212 M CB -0.419 32.232 32.600 0.085 0.000 1.401 212 M HN 0.722 nan 8.290 nan 0.000 0.473 213 G N 1.258 110.085 108.800 0.044 0.000 2.733 213 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.686 213 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.686 213 G C -0.151 174.804 174.900 0.092 0.000 1.373 213 G CA -0.198 44.929 45.100 0.045 0.000 0.838 213 G HN 0.399 nan 8.290 nan 0.000 0.588 214 E N 0.111 120.359 120.200 0.080 0.000 2.150 214 E HA -0.062 4.287 4.350 -0.002 0.000 0.193 214 E C 2.026 178.718 176.600 0.153 0.000 0.985 214 E CA 1.287 57.772 56.400 0.140 0.000 0.814 214 E CB -0.116 29.631 29.700 0.079 0.000 0.752 214 E HN 0.573 nan 8.360 nan 0.000 0.466 215 D N 0.124 120.568 120.400 0.074 0.000 2.144 215 D HA -0.099 4.540 4.640 -0.002 0.000 0.199 215 D C 1.968 178.340 176.300 0.119 0.000 0.984 215 D CA 0.626 54.659 54.000 0.056 0.000 0.834 215 D CB 0.177 40.980 40.800 0.004 0.000 0.955 215 D HN 0.017 nan 8.370 nan 0.000 0.465 216 V N 0.279 120.242 119.914 0.082 0.000 2.446 216 V HA -0.123 3.996 4.120 -0.002 0.000 0.244 216 V C 2.036 178.109 176.094 -0.036 0.000 1.039 216 V CA 0.678 62.973 62.300 -0.010 0.000 1.045 216 V CB -0.432 31.414 31.823 0.038 0.000 0.681 216 V HN 0.084 nan 8.190 nan 0.000 0.459 217 F N 0.019 119.945 119.950 -0.040 0.000 2.250 217 F HA -0.234 4.292 4.527 -0.002 0.000 0.301 217 F C 1.986 177.763 175.800 -0.039 0.000 1.077 217 F CA 1.689 59.669 58.000 -0.033 0.000 1.348 217 F CB -0.324 38.681 39.000 0.010 0.000 1.040 217 F HN 0.359 nan 8.300 nan 0.000 0.509 218 W N 0.956 122.105 121.300 -0.253 0.000 2.407 218 W HA -0.046 4.613 4.660 -0.002 0.000 0.305 218 W C 2.349 178.600 176.519 -0.448 0.000 1.196 218 W CA 2.454 59.581 57.345 -0.364 0.000 1.311 218 W CB -0.870 28.459 29.460 -0.219 0.000 1.135 218 W HN 0.020 nan 8.180 nan 0.000 0.514 219 A N 1.519 124.045 122.820 -0.490 0.000 1.883 219 A HA -0.233 4.086 4.320 -0.002 0.000 0.217 219 A C 2.087 178.962 177.584 -1.182 0.000 1.186 219 A CA 2.448 53.830 52.037 -1.091 0.000 0.624 219 A CB -1.629 16.557 19.000 -1.356 0.000 0.822 219 A HN 0.650 nan 8.150 nan 0.000 0.444 220 I N -3.294 116.722 120.570 -0.922 0.000 2.700 220 I HA -0.086 4.083 4.170 -0.002 0.000 0.261 220 I C 1.124 177.110 176.117 -0.218 0.000 1.219 220 I CA 0.982 61.969 61.300 -0.522 0.000 1.463 220 I CB -0.277 37.597 38.000 -0.211 0.000 1.092 220 I HN 0.082 nan 8.210 nan 0.000 0.452 221 R N 2.010 122.244 120.500 -0.442 0.000 4.394 221 R HA 0.349 4.688 4.340 -0.002 0.000 0.257 221 R C 0.673 176.772 176.300 -0.335 0.000 1.727 221 R CA 0.458 56.323 56.100 -0.392 0.000 1.497 221 R CB 0.291 30.276 30.300 -0.526 0.000 1.406 221 R HN 0.653 nan 8.270 nan 0.000 0.745 222 G N -1.023 107.666 108.800 -0.185 0.000 2.273 222 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.162 222 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.162 222 G C 0.845 175.840 174.900 0.159 0.000 1.006 222 G CA -0.294 44.815 45.100 0.014 0.000 0.704 222 G HN 0.496 nan 8.290 nan 0.000 0.487 223 G N 0.108 108.871 108.800 -0.061 0.000 2.598 223 G HA2 0.535 4.493 3.960 -0.002 0.000 0.215 223 G HA3 0.535 4.493 3.960 -0.002 0.000 0.215 223 G C 1.181 176.368 174.900 0.479 0.000 1.131 223 G CA 1.724 46.816 45.100 -0.013 0.000 0.785 223 G HN 1.999 nan 8.290 nan 0.000 0.539 224 G N -2.362 106.736 108.800 0.496 0.000 2.440 224 G HA2 0.492 4.451 3.960 -0.002 0.000 0.684 224 G HA3 0.492 4.451 3.960 -0.002 0.000 0.684 224 G C -0.096 175.001 174.900 0.327 0.000 1.309 224 G CA -0.293 45.041 45.100 0.390 0.000 0.931 224 G HN 0.953 nan 8.290 nan 0.000 0.612 225 G N -1.635 107.251 108.800 0.143 0.000 2.434 225 G HA2 0.747 4.706 3.960 -0.002 0.000 0.330 225 G HA3 0.747 4.706 3.960 -0.002 0.000 0.330 225 G C 1.192 176.087 174.900 -0.009 0.000 1.155 225 G CA 0.909 46.058 45.100 0.081 0.000 0.917 225 G HN 2.481 nan 8.290 nan 0.000 0.493 226 G N -1.338 107.450 108.800 -0.021 0.000 2.323 226 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.292 226 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.292 226 G C 0.478 175.400 174.900 0.037 0.000 1.040 226 G CA 0.642 45.751 45.100 0.016 0.000 0.942 226 G HN 1.257 nan 8.290 nan 0.000 0.506 227 V N -3.121 116.649 119.914 -0.240 0.000 3.229 227 V HA 0.209 4.328 4.120 -0.002 0.000 0.239 227 V C 1.884 177.587 176.094 -0.652 0.000 1.390 227 V CA 1.519 63.475 62.300 -0.572 0.000 1.231 227 V CB -0.351 30.810 31.823 -1.103 0.000 1.025 227 V HN 0.528 nan 8.190 nan 0.000 0.461 228 W N 0.865 122.117 121.300 -0.081 0.000 3.013 228 W HA 0.658 5.317 4.660 -0.002 0.000 0.280 228 W C 1.118 177.457 176.519 -0.299 0.000 1.249 228 W CA 0.673 57.954 57.345 -0.107 0.000 1.577 228 W CB 0.588 29.999 29.460 -0.081 0.000 1.057 228 W HN 0.374 nan 8.180 nan 0.000 0.613 229 G N 0.216 108.626 108.800 -0.649 0.000 2.346 229 G HA2 0.331 4.290 3.960 -0.002 0.000 0.294 229 G HA3 0.331 4.290 3.960 -0.002 0.000 0.294 229 G C -1.650 172.721 174.900 -0.881 0.000 1.294 229 G CA -0.714 43.575 45.100 -1.352 0.000 0.962 229 G HN 0.290 nan 8.290 nan 0.000 0.508 230 A N 0.365 122.851 122.820 -0.556 0.000 2.316 230 A HA 0.619 4.938 4.320 -0.002 0.000 0.311 230 A C 0.479 177.973 177.584 -0.151 0.000 1.339 230 A CA -0.469 51.432 52.037 -0.226 0.000 0.960 230 A CB -0.086 18.891 19.000 -0.040 0.000 1.152 230 A HN 0.816 nan 8.150 nan 0.000 0.547 231 I N 3.876 124.330 120.570 -0.193 0.000 2.664 231 I HA -0.109 4.060 4.170 -0.002 0.000 0.284 231 I C 1.087 177.075 176.117 -0.215 0.000 1.154 231 I CA 0.607 61.709 61.300 -0.331 0.000 1.402 231 I CB -0.313 37.282 38.000 -0.674 0.000 1.395 231 I HN 0.891 nan 8.210 nan 0.000 0.545 232 Y N 7.373 127.530 120.300 -0.239 0.000 2.314 232 Y HA 0.419 4.968 4.550 -0.002 0.000 0.294 232 Y C 0.667 176.474 175.900 -0.156 0.000 1.119 232 Y CA 0.602 58.609 58.100 -0.154 0.000 1.179 232 Y CB 0.480 38.873 38.460 -0.111 0.000 1.025 232 Y HN 0.569 nan 8.280 nan 0.000 0.541 233 A N -1.423 121.043 122.820 -0.589 0.000 2.604 233 A HA 0.500 4.819 4.320 -0.002 0.000 0.295 233 A C -2.096 175.344 177.584 -0.239 0.000 1.067 233 A CA -0.685 51.047 52.037 -0.507 0.000 0.683 233 A CB -0.005 18.663 19.000 -0.553 0.000 1.281 233 A HN 0.317 nan 8.150 nan 0.000 0.407 234 W N 0.987 122.316 121.300 0.049 0.000 2.551 234 W HA 0.654 5.312 4.660 -0.002 0.000 0.330 234 W C 0.460 176.806 176.519 -0.288 0.000 1.063 234 W CA -0.438 56.878 57.345 -0.049 0.000 1.222 234 W CB 1.623 31.020 29.460 -0.106 0.000 1.349 234 W HN 0.645 nan 8.180 nan 0.000 0.536 235 K N 5.134 125.303 120.400 -0.385 0.000 2.347 235 K HA 0.374 4.693 4.320 -0.002 0.000 0.262 235 K C -0.567 175.805 176.600 -0.379 0.000 1.052 235 K CA -0.429 55.319 56.287 -0.898 0.000 0.946 235 K CB 0.146 31.638 32.500 -1.679 0.000 1.220 235 K HN 0.619 nan 8.250 nan 0.000 0.450 236 I N 0.422 120.796 120.570 -0.328 0.000 2.488 236 I HA 0.465 4.634 4.170 -0.002 0.000 0.299 236 I C -0.444 175.576 176.117 -0.163 0.000 0.984 236 I CA -1.074 60.095 61.300 -0.218 0.000 1.250 236 I CB 1.349 39.032 38.000 -0.528 0.000 1.389 236 I HN 0.251 nan 8.210 nan 0.000 0.488 237 K N 6.034 126.423 120.400 -0.020 0.000 2.312 237 K HA 0.437 4.756 4.320 -0.002 0.000 0.287 237 K C -0.875 175.726 176.600 0.002 0.000 1.062 237 K CA -0.203 56.066 56.287 -0.030 0.000 0.934 237 K CB 0.410 32.902 32.500 -0.014 0.000 1.027 237 K HN 0.717 nan 8.250 nan 0.000 0.478 238 L N 5.454 126.635 121.223 -0.069 0.000 2.426 238 L HA 0.250 4.589 4.340 -0.002 0.000 0.271 238 L C -0.030 176.739 176.870 -0.168 0.000 1.169 238 L CA -0.447 54.342 54.840 -0.085 0.000 0.836 238 L CB 0.327 42.315 42.059 -0.119 0.000 1.112 238 L HN 0.484 nan 8.230 nan 0.000 0.465 239 L N 3.824 124.876 121.223 -0.285 0.000 2.329 239 L HA 0.474 4.813 4.340 -0.002 0.000 0.279 239 L C -2.291 174.392 176.870 -0.312 0.000 1.014 239 L CA -2.189 52.354 54.840 -0.495 0.000 0.814 239 L CB 1.595 43.009 42.059 -1.075 0.000 1.257 239 L HN 0.313 nan 8.230 nan 0.000 0.424 240 P HA 0.094 nan 4.420 nan 0.000 0.268 240 P C -1.098 176.332 177.300 0.218 0.000 1.204 240 P CA -0.131 62.993 63.100 0.040 0.000 0.768 240 P CB 0.847 32.629 31.700 0.136 0.000 0.842 241 V N 0.834 120.767 119.914 0.031 0.000 2.808 241 V HA 0.633 4.751 4.120 -0.002 0.000 0.308 241 V C -2.741 173.203 176.094 -0.250 0.000 1.099 241 V CA -2.944 59.310 62.300 -0.076 0.000 0.920 241 V CB 2.022 33.771 31.823 -0.123 0.000 1.014 241 V HN 0.312 nan 8.190 nan 0.000 0.425 242 P HA 0.188 nan 4.420 nan 0.000 0.269 242 P C 0.448 177.634 177.300 -0.191 0.000 1.215 242 P CA 0.159 63.051 63.100 -0.346 0.000 0.780 242 P CB 0.944 32.352 31.700 -0.486 0.000 0.898 243 E N 0.317 120.445 120.200 -0.121 0.000 2.338 243 E HA -0.097 4.252 4.350 -0.002 0.000 0.197 243 E C 0.106 176.674 176.600 -0.054 0.000 1.007 243 E CA 1.011 57.375 56.400 -0.060 0.000 0.849 243 E CB 0.107 29.780 29.700 -0.045 0.000 0.774 243 E HN 0.270 nan 8.360 nan 0.000 0.506 244 K N 0.864 121.202 120.400 -0.103 0.000 2.579 244 K HA 0.247 4.566 4.320 -0.002 0.000 0.250 244 K C -0.495 176.000 176.600 -0.174 0.000 0.952 244 K CA -0.467 55.761 56.287 -0.098 0.000 0.857 244 K CB 1.801 34.255 32.500 -0.077 0.000 1.123 244 K HN -0.080 nan 8.250 nan 0.000 0.433 245 V N -0.744 119.075 119.914 -0.159 0.000 2.994 245 V HA 0.748 4.867 4.120 -0.002 0.000 0.318 245 V C -0.109 175.857 176.094 -0.213 0.000 1.085 245 V CA -0.543 61.583 62.300 -0.291 0.000 0.998 245 V CB 1.994 33.629 31.823 -0.313 0.000 1.063 245 V HN 0.575 nan 8.190 nan 0.000 0.447 246 T N 2.196 116.595 114.554 -0.258 0.000 2.841 246 T HA 0.778 5.127 4.350 -0.002 0.000 0.283 246 T C -0.405 174.252 174.700 -0.072 0.000 1.000 246 T CA -0.282 61.790 62.100 -0.046 0.000 0.977 246 T CB 1.430 70.408 68.868 0.183 0.000 0.979 246 T HN 1.497 nan 8.240 nan 0.000 0.446 247 V N 0.257 120.166 119.914 -0.007 0.000 3.114 247 V HA 0.995 5.114 4.120 -0.002 0.000 0.308 247 V C -1.592 174.503 176.094 0.000 0.000 1.168 247 V CA -1.527 60.745 62.300 -0.048 0.000 1.015 247 V CB 1.794 33.627 31.823 0.016 0.000 1.050 247 V HN 0.875 nan 8.190 nan 0.000 0.433 248 F N -0.371 119.574 119.950 -0.008 0.000 2.619 248 F HA 0.863 5.388 4.527 -0.002 0.000 0.308 248 F C -0.544 175.265 175.800 0.014 0.000 1.097 248 F CA -1.202 56.754 58.000 -0.073 0.000 0.953 248 F CB 2.181 40.969 39.000 -0.354 0.000 1.287 248 F HN 0.748 nan 8.300 nan 0.000 0.446 249 R N 3.021 123.693 120.500 0.286 0.000 2.513 249 R HA 0.663 5.002 4.340 -0.002 0.000 0.283 249 R C -2.337 174.016 176.300 0.087 0.000 1.535 249 R CA -0.396 55.781 56.100 0.128 0.000 1.315 249 R CB 1.378 31.692 30.300 0.023 0.000 1.163 249 R HN 0.739 nan 8.270 nan 0.000 0.573 250 V N 3.252 123.217 119.914 0.084 0.000 2.378 250 V HA 0.318 4.437 4.120 -0.002 0.000 0.288 250 V C 0.076 176.162 176.094 -0.013 0.000 1.016 250 V CA -0.588 61.714 62.300 0.003 0.000 0.840 250 V CB 1.872 33.651 31.823 -0.074 0.000 0.994 250 V HN 0.582 nan 8.190 nan 0.000 0.431 251 T N 5.996 120.542 114.554 -0.014 0.000 2.743 251 T HA 0.318 4.667 4.350 -0.002 0.000 0.293 251 T C -0.010 174.697 174.700 0.011 0.000 0.945 251 T CA -0.534 61.579 62.100 0.021 0.000 1.030 251 T CB 0.346 69.215 68.868 0.003 0.000 0.912 251 T HN 0.387 nan 8.240 nan 0.000 0.483 252 K N 4.021 124.433 120.400 0.021 0.000 2.234 252 K HA 0.267 4.586 4.320 -0.002 0.000 0.277 252 K C -0.049 176.580 176.600 0.048 0.000 1.038 252 K CA -0.430 55.858 56.287 0.002 0.000 0.888 252 K CB 1.082 33.557 32.500 -0.041 0.000 1.091 252 K HN 0.523 nan 8.250 nan 0.000 0.467 253 N N 2.860 121.584 118.700 0.039 0.000 2.500 253 N HA 0.158 4.897 4.740 -0.002 0.000 0.236 253 N C -0.146 175.385 175.510 0.035 0.000 1.022 253 N CA -0.168 52.917 53.050 0.058 0.000 0.935 253 N CB 1.180 39.694 38.487 0.044 0.000 1.147 253 N HN 0.331 nan 8.380 nan 0.000 0.512 254 V N -0.695 119.239 119.914 0.033 0.000 3.164 254 V HA 0.904 5.023 4.120 -0.002 0.000 0.313 254 V C 0.013 176.117 176.094 0.017 0.000 1.188 254 V CA -1.013 61.298 62.300 0.019 0.000 1.058 254 V CB 1.234 33.062 31.823 0.008 0.000 1.110 254 V HN 0.436 nan 8.190 nan 0.000 0.453 255 A N 0.208 123.038 122.820 0.016 0.000 2.246 255 A HA 0.672 4.991 4.320 -0.002 0.000 0.291 255 A C 0.987 178.570 177.584 -0.002 0.000 1.103 255 A CA -0.026 52.018 52.037 0.012 0.000 0.844 255 A CB 0.422 19.438 19.000 0.025 0.000 1.136 255 A HN 1.350 nan 8.150 nan 0.000 0.500 256 I N -0.835 119.718 120.570 -0.027 0.000 2.454 256 I HA -0.184 3.985 4.170 -0.002 0.000 0.254 256 I C 1.193 177.314 176.117 0.005 0.000 1.156 256 I CA 1.750 62.998 61.300 -0.087 0.000 1.433 256 I CB -0.093 37.754 38.000 -0.255 0.000 1.082 256 I HN 0.700 nan 8.210 nan 0.000 0.432 257 D N 0.661 121.110 120.400 0.081 0.000 2.084 257 D HA -0.255 4.384 4.640 -0.002 0.000 0.194 257 D C 2.004 178.370 176.300 0.108 0.000 0.990 257 D CA 1.515 55.601 54.000 0.143 0.000 0.826 257 D CB -0.201 40.672 40.800 0.122 0.000 0.971 257 D HN 0.477 nan 8.370 nan 0.000 0.453 258 E N 0.266 120.510 120.200 0.073 0.000 2.077 258 E HA -0.147 4.202 4.350 -0.002 0.000 0.193 258 E C 1.972 178.607 176.600 0.058 0.000 0.989 258 E CA 1.002 57.442 56.400 0.067 0.000 0.800 258 E CB -0.021 29.707 29.700 0.047 0.000 0.746 258 E HN 0.171 nan 8.360 nan 0.000 0.452 259 A N 0.353 123.188 122.820 0.025 0.000 1.908 259 A HA -0.203 4.116 4.320 -0.002 0.000 0.218 259 A C 2.397 179.986 177.584 0.008 0.000 1.181 259 A CA 2.160 54.189 52.037 -0.013 0.000 0.627 259 A CB -1.084 17.883 19.000 -0.055 0.000 0.818 259 A HN 0.358 nan 8.150 nan 0.000 0.445 260 T N 0.056 114.654 114.554 0.075 0.000 2.652 260 T HA -0.135 4.214 4.350 -0.002 0.000 0.267 260 T C 2.263 177.063 174.700 0.167 0.000 1.039 260 T CA 1.731 63.928 62.100 0.160 0.000 1.153 260 T CB -0.442 68.593 68.868 0.278 0.000 0.863 260 T HN 0.483 nan 8.240 nan 0.000 0.428 261 S N 1.353 117.149 115.700 0.161 0.000 2.365 261 S HA -0.062 4.407 4.470 -0.002 0.000 0.225 261 S C 2.039 176.773 174.600 0.223 0.000 1.039 261 S CA 1.101 59.414 58.200 0.189 0.000 1.033 261 S CB -0.551 62.741 63.200 0.154 0.000 0.887 261 S HN 0.350 nan 8.310 nan 0.000 0.447 262 L N 0.737 122.070 121.223 0.184 0.000 2.027 262 L HA -0.051 4.288 4.340 -0.002 0.000 0.206 262 L C 2.292 179.307 176.870 0.243 0.000 1.074 262 L CA 0.979 55.986 54.840 0.278 0.000 0.745 262 L CB -0.532 41.607 42.059 0.133 0.000 0.898 262 L HN 0.283 nan 8.230 nan 0.000 0.433 263 L N -0.932 120.254 121.223 -0.061 0.000 2.056 263 L HA -0.246 4.093 4.340 -0.002 0.000 0.207 263 L C 2.678 179.299 176.870 -0.415 0.000 1.078 263 L CA 1.313 55.863 54.840 -0.482 0.000 0.749 263 L CB -0.689 40.700 42.059 -1.116 0.000 0.901 263 L HN 0.347 nan 8.230 nan 0.000 0.433 264 H N 0.496 119.482 119.070 -0.140 0.000 2.389 264 H HA -0.203 4.352 4.556 -0.002 0.000 0.299 264 H C 2.279 177.745 175.328 0.230 0.000 1.081 264 H CA 1.869 58.046 56.048 0.216 0.000 1.345 264 H CB 0.182 30.132 29.762 0.312 0.000 1.393 264 H HN 0.125 nan 8.280 nan 0.000 0.520 265 K N -0.859 119.645 120.400 0.173 0.000 2.243 265 K HA -0.114 4.205 4.320 -0.002 0.000 0.201 265 K C 2.043 178.598 176.600 -0.075 0.000 1.051 265 K CA 0.785 57.106 56.287 0.057 0.000 0.970 265 K CB -0.328 32.121 32.500 -0.084 0.000 0.755 265 K HN 0.437 nan 8.250 nan 0.000 0.465 266 W N 2.779 124.026 121.300 -0.089 0.000 2.335 266 W HA -0.295 4.364 4.660 -0.002 0.000 0.311 266 W C 1.992 178.497 176.519 -0.023 0.000 1.213 266 W CA 2.454 59.843 57.345 0.074 0.000 1.274 266 W CB -0.297 29.265 29.460 0.169 0.000 1.148 266 W HN 0.253 nan 8.180 nan 0.000 0.498 267 Q N -1.196 118.482 119.800 -0.203 0.000 2.152 267 Q HA -0.250 4.089 4.340 -0.002 0.000 0.206 267 Q C 1.909 177.499 176.000 -0.682 0.000 0.985 267 Q CA 2.090 57.513 55.803 -0.633 0.000 0.863 267 Q CB -1.328 27.246 28.738 -0.273 0.000 0.904 267 Q HN 0.375 nan 8.270 nan 0.000 0.422 268 F N 1.005 120.780 119.950 -0.292 0.000 2.118 268 F HA -0.071 4.455 4.527 -0.002 0.000 0.293 268 F C 2.452 178.094 175.800 -0.262 0.000 1.102 268 F CA 0.633 58.486 58.000 -0.244 0.000 1.247 268 F CB -0.887 37.985 39.000 -0.214 0.000 1.017 268 F HN -0.130 nan 8.300 nan 0.000 0.475 269 V N 0.642 120.489 119.914 -0.113 0.000 2.231 269 V HA -0.380 3.739 4.120 -0.002 0.000 0.248 269 V C 2.662 178.668 176.094 -0.147 0.000 1.054 269 V CA 2.147 64.370 62.300 -0.128 0.000 1.015 269 V CB -1.575 30.167 31.823 -0.136 0.000 0.638 269 V HN 0.387 nan 8.190 nan 0.000 0.444 270 A N -0.777 121.806 122.820 -0.396 0.000 1.892 270 A HA -0.287 4.032 4.320 -0.002 0.000 0.218 270 A C 2.341 179.795 177.584 -0.217 0.000 1.188 270 A CA 2.120 53.910 52.037 -0.411 0.000 0.631 270 A CB -0.536 17.741 19.000 -1.204 0.000 0.822 270 A HN 0.553 nan 8.150 nan 0.000 0.447 271 E N -0.149 119.891 120.200 -0.267 0.000 2.285 271 E HA -0.094 4.255 4.350 -0.002 0.000 0.194 271 E C 1.130 177.719 176.600 -0.018 0.000 0.997 271 E CA 0.921 57.263 56.400 -0.097 0.000 0.845 271 E CB -0.020 29.613 29.700 -0.112 0.000 0.782 271 E HN 0.786 nan 8.360 nan 0.000 0.491 272 E N -0.051 120.131 120.200 -0.030 0.000 2.501 272 E HA 0.176 4.525 4.350 -0.002 0.000 0.201 272 E C 0.272 176.867 176.600 -0.010 0.000 1.016 272 E CA -0.342 56.056 56.400 -0.003 0.000 0.920 272 E CB 0.704 30.406 29.700 0.002 0.000 1.023 272 E HN 0.122 nan 8.360 nan 0.000 0.474 273 L N 1.884 123.107 121.223 -0.001 0.000 2.473 273 L HA 0.028 4.367 4.340 -0.002 0.000 0.268 273 L C 1.023 177.938 176.870 0.075 0.000 1.215 273 L CA -0.025 54.819 54.840 0.006 0.000 0.823 273 L CB 0.459 42.565 42.059 0.078 0.000 1.099 273 L HN 0.069 nan 8.230 nan 0.000 0.483 274 E N 1.208 121.482 120.200 0.124 0.000 2.404 274 E HA -0.066 4.283 4.350 -0.002 0.000 0.261 274 E C 0.887 177.626 176.600 0.231 0.000 1.074 274 E CA 0.059 56.575 56.400 0.193 0.000 0.917 274 E CB 0.822 30.685 29.700 0.271 0.000 0.965 274 E HN 0.594 nan 8.360 nan 0.000 0.433 275 E N 1.349 121.606 120.200 0.094 0.000 2.333 275 E HA -0.237 4.112 4.350 -0.002 0.000 0.200 275 E C 0.092 176.675 176.600 -0.028 0.000 1.010 275 E CA 1.285 57.682 56.400 -0.004 0.000 0.841 275 E CB 0.041 29.669 29.700 -0.118 0.000 0.757 275 E HN 0.269 nan 8.360 nan 0.000 0.508 276 D N -0.398 120.031 120.400 0.049 0.000 2.363 276 D HA 0.099 4.738 4.640 -0.002 0.000 0.226 276 D C -0.762 175.484 176.300 -0.091 0.000 1.020 276 D CA 0.541 54.519 54.000 -0.037 0.000 0.892 276 D CB -0.033 40.745 40.800 -0.037 0.000 0.900 276 D HN 0.139 nan 8.370 nan 0.000 0.531 277 F N -0.554 119.539 119.950 0.238 0.000 2.551 277 F HA 0.451 4.977 4.527 -0.002 0.000 0.316 277 F C 0.256 176.227 175.800 0.285 0.000 1.089 277 F CA -0.734 57.447 58.000 0.303 0.000 0.915 277 F CB 2.276 41.386 39.000 0.185 0.000 1.186 277 F HN -0.484 nan 8.300 nan 0.000 0.456 278 T N 3.902 118.778 114.554 0.537 0.000 2.928 278 T HA 0.531 4.880 4.350 -0.002 0.000 0.296 278 T C -1.788 173.156 174.700 0.407 0.000 1.000 278 T CA -0.431 61.904 62.100 0.392 0.000 0.989 278 T CB 1.526 70.544 68.868 0.250 0.000 1.005 278 T HN 0.392 nan 8.240 nan 0.000 0.442 279 L N 3.476 124.948 121.223 0.415 0.000 2.377 279 L HA 0.725 5.064 4.340 -0.002 0.000 0.270 279 L C -0.658 176.561 176.870 0.581 0.000 0.991 279 L CA -0.002 55.104 54.840 0.444 0.000 0.851 279 L CB 1.275 43.683 42.059 0.582 0.000 1.218 279 L HN 0.598 nan 8.230 nan 0.000 0.420 280 S N 2.992 118.895 115.700 0.338 0.000 2.607 280 S HA 0.892 5.361 4.470 -0.002 0.000 0.303 280 S C -0.888 173.713 174.600 0.001 0.000 1.086 280 S CA -0.651 57.715 58.200 0.277 0.000 0.995 280 S CB 2.215 65.508 63.200 0.155 0.000 1.084 280 S HN 0.367 nan 8.310 nan 0.000 0.507 281 V N 2.163 121.942 119.914 -0.224 0.000 2.709 281 V HA 0.498 4.617 4.120 -0.002 0.000 0.308 281 V C -1.056 174.892 176.094 -0.243 0.000 1.062 281 V CA -0.623 61.457 62.300 -0.366 0.000 0.901 281 V CB 1.642 33.006 31.823 -0.766 0.000 1.003 281 V HN 0.710 nan 8.190 nan 0.000 0.425 282 L N 3.958 125.075 121.223 -0.176 0.000 2.318 282 L HA 0.735 5.074 4.340 -0.002 0.000 0.277 282 L C 0.559 177.229 176.870 -0.333 0.000 1.008 282 L CA -0.183 54.593 54.840 -0.107 0.000 0.846 282 L CB 1.551 43.623 42.059 0.020 0.000 1.220 282 L HN 0.806 nan 8.230 nan 0.000 0.423 283 G N 1.513 110.072 108.800 -0.401 0.000 2.379 283 G HA2 0.734 4.693 3.960 -0.002 0.000 0.327 283 G HA3 0.734 4.693 3.960 -0.002 0.000 0.327 283 G C -0.467 173.907 174.900 -0.878 0.000 1.145 283 G CA -0.392 44.306 45.100 -0.670 0.000 0.905 283 G HN 0.659 nan 8.290 nan 0.000 0.466 284 G N -0.951 106.910 108.800 -1.565 0.000 2.684 284 G HA2 0.911 4.870 3.960 -0.002 0.000 0.290 284 G HA3 0.911 4.870 3.960 -0.002 0.000 0.290 284 G C -1.147 173.304 174.900 -0.749 0.000 1.425 284 G CA 0.088 44.573 45.100 -1.025 0.000 0.822 284 G HN 1.525 nan 8.290 nan 0.000 0.482 285 A N -0.454 122.304 122.820 -0.104 0.000 2.602 285 A HA 0.812 5.130 4.320 -0.002 0.000 0.290 285 A C -1.970 175.701 177.584 0.145 0.000 1.114 285 A CA -0.409 51.652 52.037 0.040 0.000 0.683 285 A CB 2.378 21.363 19.000 -0.026 0.000 1.281 285 A HN 0.724 nan 8.150 nan 0.000 0.416 286 D N 0.151 120.623 120.400 0.121 0.000 2.752 286 D HA 0.348 4.987 4.640 -0.002 0.000 0.242 286 D C 0.410 176.746 176.300 0.060 0.000 1.295 286 D CA 0.404 54.460 54.000 0.094 0.000 0.846 286 D CB -0.155 40.711 40.800 0.110 0.000 1.454 286 D HN 0.667 nan 8.370 nan 0.000 0.535 287 E N 0.582 120.807 120.200 0.041 0.000 3.679 287 E HA -0.400 3.949 4.350 -0.002 0.000 0.309 287 E C 1.154 177.769 176.600 0.025 0.000 1.318 287 E CA 1.866 58.283 56.400 0.029 0.000 1.822 287 E CB -0.696 29.021 29.700 0.028 0.000 1.689 287 E HN 0.350 nan 8.360 nan 0.000 0.355 288 K N 1.269 121.686 120.400 0.029 0.000 1.969 288 K HA -0.172 4.147 4.320 -0.002 0.000 0.223 288 K C 0.776 177.394 176.600 0.030 0.000 1.048 288 K CA 2.102 58.405 56.287 0.027 0.000 0.983 288 K CB -0.263 32.253 32.500 0.027 0.000 0.738 288 K HN 0.204 nan 8.250 nan 0.000 0.446 289 Q N 0.304 120.133 119.800 0.047 0.000 2.222 289 Q HA 0.367 4.706 4.340 -0.002 0.000 0.252 289 Q C -0.937 175.107 176.000 0.074 0.000 0.926 289 Q CA -0.439 55.399 55.803 0.058 0.000 0.899 289 Q CB 1.905 30.686 28.738 0.072 0.000 1.250 289 Q HN -0.047 nan 8.270 nan 0.000 0.441 290 V N 2.818 122.758 119.914 0.044 0.000 2.435 290 V HA 0.461 4.580 4.120 -0.002 0.000 0.290 290 V C -0.865 175.264 176.094 0.058 0.000 1.030 290 V CA -0.737 61.562 62.300 -0.001 0.000 0.881 290 V CB 0.703 32.484 31.823 -0.070 0.000 0.983 290 V HN 0.791 nan 8.190 nan 0.000 0.445 291 W N 5.870 127.149 121.300 -0.035 0.000 2.417 291 W HA 0.737 5.396 4.660 -0.002 0.000 0.315 291 W C -1.911 174.568 176.519 -0.066 0.000 1.045 291 W CA -1.256 56.057 57.345 -0.054 0.000 1.221 291 W CB 0.947 30.370 29.460 -0.062 0.000 1.309 291 W HN 0.338 nan 8.180 nan 0.000 0.453 292 L N 4.937 126.177 121.223 0.028 0.000 2.316 292 L HA 0.257 4.596 4.340 -0.002 0.000 0.280 292 L C 0.212 177.096 176.870 0.023 0.000 1.006 292 L CA -0.398 54.377 54.840 -0.109 0.000 0.836 292 L CB 1.912 43.873 42.059 -0.163 0.000 1.221 292 L HN 0.350 nan 8.230 nan 0.000 0.418 293 T N 4.764 119.368 114.554 0.084 0.000 2.729 293 T HA 0.373 4.722 4.350 -0.002 0.000 0.296 293 T C 0.274 174.951 174.700 -0.039 0.000 0.928 293 T CA -0.415 61.731 62.100 0.077 0.000 1.045 293 T CB 0.433 69.394 68.868 0.154 0.000 0.902 293 T HN 0.258 nan 8.240 nan 0.000 0.500 294 M N 4.923 124.506 119.600 -0.028 0.000 2.084 294 M HA 0.341 4.820 4.480 -0.002 0.000 0.351 294 M C -0.478 175.826 176.300 0.007 0.000 1.240 294 M CA -0.380 54.918 55.300 -0.003 0.000 1.083 294 M CB 0.235 32.859 32.600 0.040 0.000 1.593 294 M HN 0.393 nan 8.290 nan 0.000 0.463 295 L N 3.289 124.456 121.223 -0.093 0.000 2.276 295 L HA 0.641 4.980 4.340 -0.002 0.000 0.286 295 L C 0.657 177.305 176.870 -0.370 0.000 1.024 295 L CA -0.581 54.133 54.840 -0.210 0.000 0.826 295 L CB 1.280 43.223 42.059 -0.192 0.000 1.211 295 L HN 0.797 nan 8.230 nan 0.000 0.422 296 G N 2.504 110.732 108.800 -0.954 0.000 2.416 296 G HA2 0.611 4.570 3.960 -0.002 0.000 0.329 296 G HA3 0.611 4.570 3.960 -0.002 0.000 0.329 296 G C -1.746 172.892 174.900 -0.438 0.000 1.173 296 G CA -0.302 44.071 45.100 -1.213 0.000 0.929 296 G HN 0.368 nan 8.290 nan 0.000 0.475 297 F N 2.213 122.084 119.950 -0.132 0.000 2.562 297 F HA 0.554 5.080 4.527 -0.002 0.000 0.319 297 F C -0.973 174.964 175.800 0.228 0.000 1.154 297 F CA -1.010 57.021 58.000 0.051 0.000 0.931 297 F CB 2.168 41.201 39.000 0.054 0.000 1.198 297 F HN 0.607 nan 8.300 nan 0.000 0.444 298 H N 5.638 124.424 119.070 -0.472 0.000 2.505 298 H HA 0.270 4.824 4.556 -0.002 0.000 0.338 298 H C -1.130 173.811 175.328 -0.646 0.000 1.057 298 H CA -1.023 54.753 56.048 -0.452 0.000 1.202 298 H CB 1.152 30.772 29.762 -0.237 0.000 1.466 298 H HN 0.655 nan 8.280 nan 0.000 0.499 299 F N 5.214 124.584 119.950 -0.968 0.000 2.798 299 F HA 0.356 4.882 4.527 -0.002 0.000 0.324 299 F C 0.567 175.801 175.800 -0.944 0.000 1.210 299 F CA 1.036 58.627 58.000 -0.680 0.000 1.379 299 F CB -0.681 38.150 39.000 -0.282 0.000 1.368 299 F HN 0.726 nan 8.300 nan 0.000 0.565 300 G N -0.051 107.925 108.800 -1.374 0.000 2.427 300 G HA2 0.247 4.206 3.960 -0.002 0.000 0.306 300 G HA3 0.247 4.206 3.960 -0.002 0.000 0.306 300 G C -1.276 173.435 174.900 -0.314 0.000 1.280 300 G CA -1.051 43.540 45.100 -0.848 0.000 0.837 300 G HN 0.076 nan 8.290 nan 0.000 0.482 301 L N 0.467 121.689 121.223 -0.001 0.000 2.475 301 L HA 0.299 4.638 4.340 -0.002 0.000 0.250 301 L C 2.183 179.153 176.870 0.167 0.000 1.224 301 L CA -0.296 54.579 54.840 0.058 0.000 0.821 301 L CB 0.761 42.831 42.059 0.019 0.000 1.141 301 L HN 0.835 nan 8.230 nan 0.000 0.494 302 K N -0.118 120.331 120.400 0.083 0.000 2.025 302 K HA -0.154 4.165 4.320 -0.002 0.000 0.207 302 K C 1.894 178.472 176.600 -0.037 0.000 1.049 302 K CA 1.876 58.205 56.287 0.069 0.000 0.933 302 K CB -0.118 32.406 32.500 0.040 0.000 0.714 302 K HN 0.895 nan 8.250 nan 0.000 0.438 303 T N -1.224 113.305 114.554 -0.041 0.000 2.746 303 T HA -0.113 4.236 4.350 -0.002 0.000 0.267 303 T C 1.998 176.653 174.700 -0.075 0.000 1.039 303 T CA 1.471 63.524 62.100 -0.079 0.000 1.142 303 T CB -0.669 68.172 68.868 -0.045 0.000 0.866 303 T HN 0.014 nan 8.240 nan 0.000 0.444 304 V N 2.250 122.151 119.914 -0.022 0.000 2.358 304 V HA -0.052 4.067 4.120 -0.002 0.000 0.246 304 V C 3.267 179.299 176.094 -0.103 0.000 1.047 304 V CA 1.532 63.814 62.300 -0.030 0.000 1.035 304 V CB -1.471 30.388 31.823 0.059 0.000 0.658 304 V HN 0.700 nan 8.190 nan 0.000 0.452 305 A N -0.142 122.611 122.820 -0.112 0.000 1.883 305 A HA -0.288 4.031 4.320 -0.002 0.000 0.217 305 A C 2.355 180.023 177.584 0.140 0.000 1.186 305 A CA 2.355 54.435 52.037 0.072 0.000 0.624 305 A CB -0.477 18.751 19.000 0.381 0.000 0.822 305 A HN 0.520 nan 8.150 nan 0.000 0.444 306 K N -0.491 119.767 120.400 -0.237 0.000 2.062 306 K HA -0.098 4.221 4.320 -0.002 0.000 0.205 306 K C 2.356 178.871 176.600 -0.141 0.000 1.051 306 K CA 1.343 57.328 56.287 -0.503 0.000 0.941 306 K CB -0.222 31.709 32.500 -0.949 0.000 0.719 306 K HN 0.427 nan 8.250 nan 0.000 0.440 307 S N -0.080 115.539 115.700 -0.136 0.000 2.374 307 S HA -0.172 4.297 4.470 -0.002 0.000 0.227 307 S C 1.742 176.278 174.600 -0.108 0.000 1.037 307 S CA 2.204 60.347 58.200 -0.094 0.000 1.024 307 S CB -0.533 62.618 63.200 -0.081 0.000 0.861 307 S HN 0.462 nan 8.310 nan 0.000 0.456 308 T N 1.190 115.625 114.554 -0.199 0.000 2.674 308 T HA -0.011 4.338 4.350 -0.002 0.000 0.265 308 T C 1.347 175.848 174.700 -0.331 0.000 1.039 308 T CA 1.722 63.574 62.100 -0.414 0.000 1.150 308 T CB -0.524 67.805 68.868 -0.899 0.000 0.864 308 T HN 0.481 nan 8.240 nan 0.000 0.427 309 F N 1.521 121.488 119.950 0.028 0.000 2.259 309 F HA 0.066 4.592 4.527 -0.002 0.000 0.298 309 F C 2.236 178.097 175.800 0.100 0.000 1.088 309 F CA 0.255 58.327 58.000 0.120 0.000 1.358 309 F CB -0.642 38.480 39.000 0.203 0.000 1.040 309 F HN 0.056 nan 8.300 nan 0.000 0.505 310 D N 0.086 120.607 120.400 0.202 0.000 2.149 310 D HA -0.157 4.482 4.640 -0.002 0.000 0.198 310 D C 2.200 178.550 176.300 0.083 0.000 0.990 310 D CA 1.002 55.071 54.000 0.115 0.000 0.839 310 D CB -0.253 40.571 40.800 0.040 0.000 0.948 310 D HN 0.172 nan 8.370 nan 0.000 0.460 311 L N -0.168 121.080 121.223 0.041 0.000 2.116 311 L HA 0.063 4.402 4.340 -0.002 0.000 0.200 311 L C 2.180 179.068 176.870 0.031 0.000 1.084 311 L CA 1.046 55.892 54.840 0.010 0.000 0.766 311 L CB -0.461 41.570 42.059 -0.046 0.000 0.930 311 L HN -0.024 nan 8.230 nan 0.000 0.453 312 L N -1.879 119.355 121.223 0.019 0.000 2.027 312 L HA -0.126 4.213 4.340 -0.002 0.000 0.206 312 L C 0.614 177.567 176.870 0.139 0.000 1.074 312 L CA 0.967 55.822 54.840 0.024 0.000 0.745 312 L CB -0.257 41.776 42.059 -0.043 0.000 0.898 312 L HN 0.187 nan 8.230 nan 0.000 0.433 313 F N 1.313 121.357 119.950 0.157 0.000 2.597 313 F HA 0.348 4.874 4.527 -0.002 0.000 0.336 313 F C -1.717 174.165 175.800 0.136 0.000 1.432 313 F CA -3.283 54.825 58.000 0.180 0.000 1.120 313 F CB 0.161 39.330 39.000 0.281 0.000 1.253 313 F HN -0.139 nan 8.300 nan 0.000 0.546 314 P HA -0.155 nan 4.420 nan 0.000 0.225 314 P C 0.867 178.277 177.300 0.184 0.000 1.148 314 P CA 1.165 64.388 63.100 0.206 0.000 0.779 314 P CB 0.447 32.231 31.700 0.139 0.000 0.780 315 E N -0.150 120.239 120.200 0.313 0.000 2.268 315 E HA -0.044 4.305 4.350 -0.002 0.000 0.195 315 E C 2.050 178.677 176.600 0.045 0.000 0.995 315 E CA 0.528 57.067 56.400 0.231 0.000 0.836 315 E CB -0.912 29.020 29.700 0.386 0.000 0.763 315 E HN 0.267 nan 8.360 nan 0.000 0.491 316 L N -0.683 120.447 121.223 -0.154 0.000 2.201 316 L HA -0.047 4.292 4.340 -0.002 0.000 0.212 316 L C 1.472 178.224 176.870 -0.197 0.000 1.105 316 L CA 0.772 55.393 54.840 -0.364 0.000 0.775 316 L CB -0.587 41.094 42.059 -0.630 0.000 0.913 316 L HN 0.388 nan 8.230 nan 0.000 0.440 317 G N 0.714 109.455 108.800 -0.098 0.000 2.225 317 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.267 317 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.267 317 G C 0.263 175.106 174.900 -0.095 0.000 1.024 317 G CA -0.048 45.015 45.100 -0.062 0.000 0.784 317 G HN 0.269 nan 8.290 nan 0.000 0.507 318 L N -0.163 120.966 121.223 -0.157 0.000 2.453 318 L HA 0.452 4.791 4.340 -0.002 0.000 0.272 318 L C 1.264 178.140 176.870 0.010 0.000 1.182 318 L CA -0.291 54.425 54.840 -0.207 0.000 0.858 318 L CB 0.701 42.454 42.059 -0.509 0.000 1.120 318 L HN 0.246 nan 8.230 nan 0.000 0.474 319 V N -0.161 119.775 119.914 0.036 0.000 3.166 319 V HA 0.336 4.455 4.120 -0.002 0.000 0.317 319 V C 0.940 177.172 176.094 0.230 0.000 1.136 319 V CA -0.653 61.711 62.300 0.106 0.000 1.035 319 V CB 1.683 33.530 31.823 0.040 0.000 1.110 319 V HN 0.852 nan 8.190 nan 0.000 0.450 320 E N 0.121 120.401 120.200 0.134 0.000 2.097 320 E HA -0.268 4.081 4.350 -0.002 0.000 0.196 320 E C 1.674 178.383 176.600 0.181 0.000 1.000 320 E CA 2.326 58.799 56.400 0.122 0.000 0.804 320 E CB 0.025 29.743 29.700 0.030 0.000 0.740 320 E HN 0.901 nan 8.360 nan 0.000 0.454 321 E N 0.710 120.976 120.200 0.111 0.000 2.265 321 E HA -0.157 4.192 4.350 -0.002 0.000 0.196 321 E C 1.481 178.133 176.600 0.087 0.000 0.996 321 E CA 1.199 57.648 56.400 0.082 0.000 0.832 321 E CB -0.048 29.679 29.700 0.045 0.000 0.756 321 E HN 0.360 nan 8.360 nan 0.000 0.491 322 D N -0.573 119.877 120.400 0.083 0.000 2.149 322 D HA -0.094 4.544 4.640 -0.002 0.000 0.201 322 D C -0.090 176.200 176.300 -0.018 0.000 0.972 322 D CA 0.706 54.685 54.000 -0.035 0.000 0.835 322 D CB -0.087 40.565 40.800 -0.246 0.000 0.966 322 D HN 0.277 nan 8.370 nan 0.000 0.476 323 Y N 0.397 120.728 120.300 0.052 0.000 2.393 323 Y HA 0.288 4.837 4.550 -0.002 0.000 0.338 323 Y C 0.086 176.012 175.900 0.044 0.000 1.029 323 Y CA -0.843 57.333 58.100 0.126 0.000 1.239 323 Y CB 0.552 39.090 38.460 0.129 0.000 1.170 323 Y HN -0.251 nan 8.280 nan 0.000 0.515 324 L N 3.923 125.208 121.223 0.104 0.000 2.313 324 L HA 0.349 4.688 4.340 -0.002 0.000 0.283 324 L C -0.148 176.704 176.870 -0.030 0.000 1.013 324 L CA -0.812 54.005 54.840 -0.037 0.000 0.816 324 L CB 1.540 43.438 42.059 -0.269 0.000 1.236 324 L HN 0.578 nan 8.230 nan 0.000 0.419 325 E N 4.839 125.031 120.200 -0.014 0.000 2.249 325 E HA 0.731 5.080 4.350 -0.002 0.000 0.280 325 E C -0.527 176.043 176.600 -0.049 0.000 1.016 325 E CA -0.262 56.123 56.400 -0.024 0.000 0.830 325 E CB 1.414 31.110 29.700 -0.008 0.000 1.081 325 E HN 0.614 nan 8.360 nan 0.000 0.395 326 M N -0.863 118.707 119.600 -0.049 0.000 3.012 326 M HA 0.333 4.812 4.480 -0.002 0.000 0.272 326 M C -0.678 175.620 176.300 -0.003 0.000 1.187 326 M CA -1.108 54.174 55.300 -0.030 0.000 0.813 326 M CB 1.271 33.843 32.600 -0.047 0.000 1.626 326 M HN 0.362 nan 8.290 nan 0.000 0.507 327 S N 0.155 115.870 115.700 0.024 0.000 2.576 327 S HA 0.091 4.560 4.470 -0.002 0.000 0.272 327 S C 0.364 175.036 174.600 0.121 0.000 1.352 327 S CA 0.115 58.356 58.200 0.068 0.000 1.021 327 S CB 0.526 63.770 63.200 0.073 0.000 0.887 327 S HN 0.981 nan 8.310 nan 0.000 0.542 328 W N 2.762 124.063 121.300 0.001 0.000 2.338 328 W HA -0.001 4.658 4.660 -0.002 0.000 0.304 328 W C 2.040 178.570 176.519 0.019 0.000 1.212 328 W CA 1.819 59.185 57.345 0.035 0.000 1.264 328 W CB -1.032 28.403 29.460 -0.043 0.000 1.142 328 W HN 0.867 nan 8.180 nan 0.000 0.512 329 G N 0.260 109.003 108.800 -0.095 0.000 2.459 329 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.217 329 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.217 329 G C 1.286 176.076 174.900 -0.183 0.000 1.183 329 G CA 1.261 46.175 45.100 -0.311 0.000 0.776 329 G HN 0.433 nan 8.290 nan 0.000 0.552 330 E N 0.480 120.662 120.200 -0.029 0.000 2.171 330 E HA -0.171 4.178 4.350 -0.002 0.000 0.197 330 E C 2.887 179.525 176.600 0.063 0.000 0.997 330 E CA 1.397 57.819 56.400 0.035 0.000 0.810 330 E CB -0.077 29.647 29.700 0.040 0.000 0.738 330 E HN 0.605 nan 8.360 nan 0.000 0.467 331 S N -0.059 115.661 115.700 0.034 0.000 2.387 331 S HA -0.094 4.375 4.470 -0.002 0.000 0.226 331 S C 1.777 176.488 174.600 0.186 0.000 1.026 331 S CA 0.464 58.757 58.200 0.155 0.000 0.972 331 S CB -0.294 63.076 63.200 0.284 0.000 0.814 331 S HN 0.117 nan 8.310 nan 0.000 0.477 332 F N 2.406 122.145 119.950 -0.352 0.000 2.325 332 F HA 0.382 4.908 4.527 -0.002 0.000 0.299 332 F C 2.686 178.403 175.800 -0.139 0.000 1.090 332 F CA -0.177 57.590 58.000 -0.388 0.000 1.392 332 F CB -0.925 37.536 39.000 -0.898 0.000 1.053 332 F HN 0.347 nan 8.300 nan 0.000 0.521 333 A N -1.087 121.788 122.820 0.091 0.000 1.874 333 A HA -0.204 4.115 4.320 -0.002 0.000 0.214 333 A C 2.086 179.755 177.584 0.142 0.000 1.189 333 A CA 1.120 53.240 52.037 0.139 0.000 0.615 333 A CB -1.429 17.651 19.000 0.134 0.000 0.830 333 A HN 0.403 nan 8.150 nan 0.000 0.443 334 Y N 0.668 120.986 120.300 0.029 0.000 2.128 334 Y HA -0.223 4.326 4.550 -0.002 0.000 0.284 334 Y C 2.021 177.908 175.900 -0.020 0.000 1.154 334 Y CA 2.071 60.179 58.100 0.013 0.000 1.149 334 Y CB -0.296 38.172 38.460 0.012 0.000 0.976 334 Y HN 0.219 nan 8.280 nan 0.000 0.505 335 L N -0.480 120.792 121.223 0.083 0.000 2.083 335 L HA -0.218 4.121 4.340 -0.002 0.000 0.209 335 L C 2.561 179.319 176.870 -0.187 0.000 1.083 335 L CA 1.152 55.933 54.840 -0.098 0.000 0.752 335 L CB -0.820 41.141 42.059 -0.163 0.000 0.899 335 L HN 0.335 nan 8.230 nan 0.000 0.433 336 A N -0.433 122.384 122.820 -0.004 0.000 2.239 336 A HA 0.190 4.509 4.320 -0.002 0.000 0.209 336 A C 1.704 179.428 177.584 0.234 0.000 1.171 336 A CA 0.808 52.977 52.037 0.220 0.000 0.768 336 A CB -0.637 18.565 19.000 0.337 0.000 0.790 336 A HN 0.563 nan 8.150 nan 0.000 0.478 337 G N -1.320 107.479 108.800 -0.002 0.000 2.147 337 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.244 337 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.244 337 G C 0.041 174.946 174.900 0.010 0.000 1.005 337 G CA 0.314 45.376 45.100 -0.063 0.000 0.713 337 G HN 0.432 nan 8.290 nan 0.000 0.515 338 L N -0.056 121.212 121.223 0.074 0.000 2.418 338 L HA 0.361 4.700 4.340 -0.002 0.000 0.265 338 L C 1.717 178.596 176.870 0.015 0.000 1.143 338 L CA -0.934 53.943 54.840 0.061 0.000 0.809 338 L CB 0.620 42.764 42.059 0.142 0.000 1.124 338 L HN 0.041 nan 8.230 nan 0.000 0.456 339 E N 0.618 120.818 120.200 0.001 0.000 2.072 339 E HA -0.045 4.304 4.350 -0.002 0.000 0.190 339 E C 0.496 177.124 176.600 0.048 0.000 0.982 339 E CA 1.132 57.538 56.400 0.010 0.000 0.803 339 E CB 0.142 29.836 29.700 -0.009 0.000 0.755 339 E HN 0.812 nan 8.360 nan 0.000 0.453 340 T N -3.855 110.734 114.554 0.057 0.000 2.843 340 T HA 0.332 4.681 4.350 -0.002 0.000 0.302 340 T C 1.029 175.791 174.700 0.103 0.000 1.232 340 T CA -0.646 61.501 62.100 0.079 0.000 1.009 340 T CB 1.534 70.440 68.868 0.064 0.000 1.254 340 T HN -0.236 nan 8.240 nan 0.000 0.504 341 V N 1.302 121.294 119.914 0.130 0.000 2.490 341 V HA -0.135 3.983 4.120 -0.002 0.000 0.250 341 V C 2.861 179.089 176.094 0.224 0.000 1.061 341 V CA 2.365 64.776 62.300 0.185 0.000 1.064 341 V CB -1.031 30.908 31.823 0.193 0.000 0.670 341 V HN 1.016 nan 8.190 nan 0.000 0.461 342 S N -0.721 115.076 115.700 0.161 0.000 2.419 342 S HA -0.263 4.206 4.470 -0.002 0.000 0.235 342 S C 1.920 176.458 174.600 -0.103 0.000 1.019 342 S CA 1.337 59.546 58.200 0.014 0.000 0.982 342 S CB -0.283 62.933 63.200 0.027 0.000 0.789 342 S HN 0.675 nan 8.310 nan 0.000 0.490 343 Q N 0.128 119.923 119.800 -0.008 0.000 2.436 343 Q HA 0.124 4.463 4.340 -0.002 0.000 0.209 343 Q C 1.780 177.796 176.000 0.026 0.000 0.965 343 Q CA 0.406 56.202 55.803 -0.012 0.000 0.910 343 Q CB -0.178 28.562 28.738 0.004 0.000 0.980 343 Q HN 0.512 nan 8.270 nan 0.000 0.491 344 L N 0.325 121.587 121.223 0.065 0.000 2.201 344 L HA -0.152 4.187 4.340 -0.002 0.000 0.212 344 L C 1.755 178.629 176.870 0.006 0.000 1.105 344 L CA 0.613 55.528 54.840 0.125 0.000 0.775 344 L CB -0.188 42.020 42.059 0.248 0.000 0.913 344 L HN 0.201 nan 8.230 nan 0.000 0.440 345 N N -0.052 118.526 118.700 -0.204 0.000 2.398 345 N HA -0.057 4.682 4.740 -0.002 0.000 0.188 345 N C 0.136 175.535 175.510 -0.185 0.000 1.122 345 N CA 0.132 52.994 53.050 -0.313 0.000 0.866 345 N CB -0.120 37.858 38.487 -0.849 0.000 0.970 345 N HN 0.098 nan 8.380 nan 0.000 0.462 346 N N 0.512 119.146 118.700 -0.112 0.000 2.485 346 N HA 0.095 4.834 4.740 -0.002 0.000 0.243 346 N C 0.720 176.186 175.510 -0.073 0.000 0.987 346 N CA -0.339 52.671 53.050 -0.068 0.000 0.940 346 N CB 0.590 39.056 38.487 -0.035 0.000 1.122 346 N HN 0.200 nan 8.380 nan 0.000 0.509 347 R N 2.265 122.640 120.500 -0.208 0.000 2.299 347 R HA 0.156 4.495 4.340 -0.002 0.000 0.197 347 R C -0.094 175.950 176.300 -0.426 0.000 0.971 347 R CA 0.959 56.846 56.100 -0.356 0.000 1.030 347 R CB -0.118 29.844 30.300 -0.564 0.000 0.932 347 R HN 0.242 nan 8.270 nan 0.000 0.477 348 F N 0.842 120.813 119.950 0.034 0.000 2.708 348 F HA 0.370 4.896 4.527 -0.002 0.000 0.300 348 F C 0.049 175.848 175.800 -0.003 0.000 1.118 348 F CA -0.880 57.131 58.000 0.019 0.000 1.307 348 F CB 0.560 39.556 39.000 -0.006 0.000 0.986 348 F HN -0.106 nan 8.300 nan 0.000 0.522 349 L N 2.603 123.886 121.223 0.099 0.000 2.334 349 L HA 0.196 4.535 4.340 -0.002 0.000 0.286 349 L C 0.228 177.073 176.870 -0.042 0.000 1.108 349 L CA -0.546 54.270 54.840 -0.040 0.000 0.875 349 L CB 0.022 41.968 42.059 -0.188 0.000 1.246 349 L HN -0.095 nan 8.230 nan 0.000 0.439 350 K N 2.896 123.308 120.400 0.019 0.000 2.489 350 K HA -0.041 4.278 4.320 -0.002 0.000 0.278 350 K C 0.446 177.044 176.600 -0.003 0.000 1.000 350 K CA 0.360 56.701 56.287 0.089 0.000 1.012 350 K CB 0.470 33.008 32.500 0.063 0.000 0.903 350 K HN 0.336 nan 8.250 nan 0.000 0.485 351 F N 0.702 120.701 119.950 0.081 0.000 2.727 351 F HA 0.016 4.542 4.527 -0.002 0.000 0.302 351 F C 1.096 176.933 175.800 0.061 0.000 1.097 351 F CA 0.402 58.453 58.000 0.083 0.000 1.330 351 F CB 0.485 39.560 39.000 0.125 0.000 1.084 351 F HN 0.587 nan 8.300 nan 0.000 0.578 352 D N -1.959 118.543 120.400 0.170 0.000 2.001 352 D HA 0.020 4.659 4.640 -0.002 0.000 0.337 352 D C 0.750 177.076 176.300 0.045 0.000 1.148 352 D CA 0.516 54.568 54.000 0.088 0.000 1.057 352 D CB 0.224 41.079 40.800 0.091 0.000 1.884 352 D HN -0.100 nan 8.370 nan 0.000 0.529 353 E N -0.359 119.878 120.200 0.063 0.000 3.927 353 E HA -0.184 4.165 4.350 -0.002 0.000 0.330 353 E C -0.635 175.970 176.600 0.008 0.000 0.751 353 E CA 0.634 57.054 56.400 0.033 0.000 1.254 353 E CB -0.602 29.102 29.700 0.007 0.000 1.643 353 E HN 0.207 nan 8.360 nan 0.000 0.430 354 R N -0.046 120.460 120.500 0.009 0.000 2.407 354 R HA 0.728 5.067 4.340 -0.002 0.000 0.303 354 R C 0.108 176.341 176.300 -0.112 0.000 0.981 354 R CA -0.108 55.945 56.100 -0.078 0.000 0.905 354 R CB 1.505 31.759 30.300 -0.077 0.000 1.099 354 R HN 0.155 nan 8.270 nan 0.000 0.459 355 A N 2.965 125.537 122.820 -0.412 0.000 2.406 355 A HA 0.451 4.770 4.320 -0.002 0.000 0.243 355 A C -0.318 176.768 177.584 -0.830 0.000 1.082 355 A CA 0.204 51.855 52.037 -0.643 0.000 0.786 355 A CB 0.029 18.488 19.000 -0.900 0.000 1.029 355 A HN 0.688 nan 8.150 nan 0.000 0.495 356 F N -1.636 117.859 119.950 -0.758 0.000 2.744 356 F HA 0.724 5.250 4.527 -0.002 0.000 0.311 356 F C -1.112 174.603 175.800 -0.142 0.000 1.144 356 F CA -1.208 56.499 58.000 -0.488 0.000 0.938 356 F CB 1.391 40.255 39.000 -0.226 0.000 1.292 356 F HN 0.544 nan 8.300 nan 0.000 0.444 357 K N 1.290 121.808 120.400 0.196 0.000 2.507 357 K HA 0.620 4.939 4.320 -0.002 0.000 0.251 357 K C -1.659 175.066 176.600 0.208 0.000 0.943 357 K CA -0.268 56.110 56.287 0.152 0.000 0.794 357 K CB 2.141 34.774 32.500 0.221 0.000 1.188 357 K HN 0.990 nan 8.250 nan 0.000 0.428 358 T N 3.119 117.727 114.554 0.091 0.000 2.841 358 T HA 0.533 4.882 4.350 -0.002 0.000 0.285 358 T C -1.186 173.561 174.700 0.078 0.000 0.991 358 T CA -0.678 61.439 62.100 0.028 0.000 0.966 358 T CB 0.508 69.243 68.868 -0.222 0.000 0.962 358 T HN 0.589 nan 8.240 nan 0.000 0.438 359 K N 2.729 123.230 120.400 0.168 0.000 2.156 359 K HA 0.779 5.098 4.320 -0.002 0.000 0.254 359 K C -1.110 175.692 176.600 0.337 0.000 0.950 359 K CA -0.929 55.462 56.287 0.173 0.000 0.849 359 K CB 2.374 34.850 32.500 -0.041 0.000 1.100 359 K HN 0.418 nan 8.250 nan 0.000 0.434 360 V N 1.433 121.546 119.914 0.332 0.000 2.914 360 V HA 0.469 4.588 4.120 -0.002 0.000 0.314 360 V C -1.541 174.745 176.094 0.319 0.000 1.084 360 V CA -0.506 61.931 62.300 0.228 0.000 0.963 360 V CB 2.150 34.074 31.823 0.168 0.000 1.025 360 V HN 0.738 nan 8.190 nan 0.000 0.432 361 D N 3.067 123.532 120.400 0.109 0.000 2.601 361 D HA 0.608 5.247 4.640 -0.002 0.000 0.230 361 D C -1.257 174.987 176.300 -0.094 0.000 1.106 361 D CA -0.110 53.941 54.000 0.085 0.000 0.873 361 D CB 2.338 43.227 40.800 0.147 0.000 1.515 361 D HN 0.472 nan 8.370 nan 0.000 0.468 362 L N 0.925 122.045 121.223 -0.172 0.000 2.365 362 L HA 0.491 4.830 4.340 -0.002 0.000 0.273 362 L C 0.346 177.063 176.870 -0.254 0.000 1.000 362 L CA -0.779 53.867 54.840 -0.324 0.000 0.819 362 L CB 2.117 43.857 42.059 -0.532 0.000 1.284 362 L HN 0.353 nan 8.230 nan 0.000 0.418 363 T N -2.079 112.321 114.554 -0.256 0.000 2.859 363 T HA 0.457 4.806 4.350 -0.002 0.000 0.281 363 T C 0.322 174.926 174.700 -0.162 0.000 1.005 363 T CA -0.818 61.182 62.100 -0.168 0.000 1.025 363 T CB 2.461 71.259 68.868 -0.116 0.000 0.977 363 T HN 0.458 nan 8.240 nan 0.000 0.458 364 K N 0.557 120.894 120.400 -0.106 0.000 2.329 364 K HA 0.244 4.563 4.320 -0.002 0.000 0.198 364 K C 0.429 177.004 176.600 -0.042 0.000 1.085 364 K CA 0.482 56.726 56.287 -0.072 0.000 0.961 364 K CB 0.464 32.931 32.500 -0.054 0.000 0.971 364 K HN 0.672 nan 8.250 nan 0.000 0.502 365 E N 1.235 121.414 120.200 -0.036 0.000 2.227 365 E HA 0.340 4.689 4.350 -0.002 0.000 0.268 365 E C -2.460 174.129 176.600 -0.018 0.000 0.990 365 E CA -2.354 54.041 56.400 -0.008 0.000 0.856 365 E CB 0.824 30.528 29.700 0.006 0.000 1.159 365 E HN -0.105 nan 8.360 nan 0.000 0.401 366 P HA 0.116 nan 4.420 nan 0.000 0.272 366 P C -0.426 176.854 177.300 -0.033 0.000 1.230 366 P CA 0.013 63.091 63.100 -0.036 0.000 0.788 366 P CB 0.465 32.230 31.700 0.107 0.000 0.949 367 L N 3.635 124.794 121.223 -0.107 0.000 2.292 367 L HA 0.391 4.730 4.340 -0.002 0.000 0.284 367 L C -2.110 174.723 176.870 -0.060 0.000 1.065 367 L CA -2.247 52.480 54.840 -0.189 0.000 0.806 367 L CB 0.916 42.678 42.059 -0.494 0.000 1.175 367 L HN 0.183 nan 8.230 nan 0.000 0.431 368 P HA 0.117 nan 4.420 nan 0.000 0.271 368 P C 0.463 177.723 177.300 -0.066 0.000 1.218 368 P CA -0.119 62.949 63.100 -0.053 0.000 0.780 368 P CB 0.908 32.515 31.700 -0.155 0.000 0.901 369 S N 2.299 117.982 115.700 -0.030 0.000 2.380 369 S HA -0.266 4.203 4.470 -0.002 0.000 0.229 369 S C 1.624 176.256 174.600 0.054 0.000 1.043 369 S CA 1.972 60.194 58.200 0.036 0.000 1.038 369 S CB -0.670 62.452 63.200 -0.131 0.000 0.872 369 S HN 0.661 nan 8.310 nan 0.000 0.456 370 K N 1.478 121.837 120.400 -0.067 0.000 2.160 370 K HA -0.084 4.235 4.320 -0.002 0.000 0.206 370 K C 2.037 178.605 176.600 -0.053 0.000 1.047 370 K CA 1.448 57.713 56.287 -0.037 0.000 0.930 370 K CB -0.380 32.083 32.500 -0.062 0.000 0.720 370 K HN 0.305 nan 8.250 nan 0.000 0.450 371 A N 0.908 123.459 122.820 -0.448 0.000 1.872 371 A HA -0.001 4.318 4.320 -0.002 0.000 0.214 371 A C 1.812 179.324 177.584 -0.122 0.000 1.187 371 A CA 0.933 52.557 52.037 -0.689 0.000 0.614 371 A CB -0.626 17.564 19.000 -1.349 0.000 0.826 371 A HN 0.336 nan 8.150 nan 0.000 0.442 372 F N -1.766 118.213 119.950 0.049 0.000 2.186 372 F HA -0.063 4.463 4.527 -0.001 0.000 0.299 372 F C 2.173 178.055 175.800 0.136 0.000 1.090 372 F CA 0.950 59.018 58.000 0.113 0.000 1.307 372 F CB -1.042 38.027 39.000 0.115 0.000 1.019 372 F HN 0.409 nan 8.300 nan 0.000 0.489 373 Y N 0.659 121.089 120.300 0.217 0.000 2.114 373 Y HA -0.142 4.407 4.550 -0.002 0.000 0.284 373 Y C 2.597 178.554 175.900 0.094 0.000 1.143 373 Y CA 1.688 59.867 58.100 0.131 0.000 1.135 373 Y CB -0.851 37.661 38.460 0.087 0.000 0.980 373 Y HN 0.025 nan 8.280 nan 0.000 0.499 374 G N 0.348 109.363 108.800 0.359 0.000 2.446 374 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.217 374 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.217 374 G C 1.695 176.491 174.900 -0.174 0.000 1.168 374 G CA 1.259 46.389 45.100 0.051 0.000 0.771 374 G HN 0.451 nan 8.290 nan 0.000 0.551 375 L N -0.208 121.111 121.223 0.160 0.000 2.012 375 L HA -0.070 4.269 4.340 -0.002 0.000 0.210 375 L C 2.967 179.892 176.870 0.091 0.000 1.073 375 L CA 0.844 55.790 54.840 0.177 0.000 0.748 375 L CB -0.352 41.906 42.059 0.332 0.000 0.891 375 L HN 0.225 nan 8.230 nan 0.000 0.431 376 L N -0.753 120.494 121.223 0.039 0.000 2.093 376 L HA -0.212 4.127 4.340 -0.002 0.000 0.208 376 L C 2.568 179.380 176.870 -0.097 0.000 1.085 376 L CA 1.173 55.984 54.840 -0.048 0.000 0.755 376 L CB -0.485 41.500 42.059 -0.123 0.000 0.904 376 L HN 0.321 nan 8.230 nan 0.000 0.435 377 E N 0.511 120.609 120.200 -0.170 0.000 2.047 377 E HA -0.223 4.126 4.350 -0.002 0.000 0.191 377 E C 2.371 178.952 176.600 -0.032 0.000 0.987 377 E CA 1.030 57.346 56.400 -0.141 0.000 0.799 377 E CB 0.119 29.732 29.700 -0.145 0.000 0.752 377 E HN 0.336 nan 8.360 nan 0.000 0.449 378 R N -0.014 120.464 120.500 -0.038 0.000 2.120 378 R HA -0.085 4.254 4.340 -0.002 0.000 0.234 378 R C 2.515 179.055 176.300 0.400 0.000 1.123 378 R CA 0.952 57.107 56.100 0.092 0.000 0.975 378 R CB -0.146 30.082 30.300 -0.118 0.000 0.866 378 R HN 0.245 nan 8.270 nan 0.000 0.446 379 L N 0.262 121.667 121.223 0.305 0.000 2.056 379 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 379 L C 2.440 179.384 176.870 0.123 0.000 1.078 379 L CA 1.511 56.525 54.840 0.291 0.000 0.749 379 L CB -0.400 41.761 42.059 0.170 0.000 0.901 379 L HN 0.273 nan 8.230 nan 0.000 0.433 380 S N -0.759 114.984 115.700 0.072 0.000 2.474 380 S HA -0.149 4.320 4.470 -0.002 0.000 0.235 380 S C 1.782 176.413 174.600 0.051 0.000 0.997 380 S CA 0.700 58.924 58.200 0.040 0.000 0.949 380 S CB -0.255 62.947 63.200 0.003 0.000 0.766 380 S HN 0.404 nan 8.310 nan 0.000 0.517 381 K N 0.465 120.917 120.400 0.086 0.000 2.228 381 K HA 0.159 4.478 4.320 -0.002 0.000 0.202 381 K C 0.454 177.074 176.600 0.033 0.000 1.051 381 K CA 0.905 57.243 56.287 0.084 0.000 0.960 381 K CB 0.098 32.684 32.500 0.145 0.000 0.743 381 K HN 0.317 nan 8.250 nan 0.000 0.458 382 E N 0.177 120.346 120.200 -0.051 0.000 2.325 382 E HA 0.163 4.512 4.350 -0.002 0.000 0.248 382 E C -2.418 174.068 176.600 -0.190 0.000 0.912 382 E CA -2.547 53.718 56.400 -0.225 0.000 0.782 382 E CB 1.431 30.704 29.700 -0.712 0.000 1.264 382 E HN -0.212 nan 8.360 nan 0.000 0.417 383 P HA -0.061 nan 4.420 nan 0.000 0.220 383 P C 0.195 177.532 177.300 0.062 0.000 1.148 383 P CA 0.857 63.991 63.100 0.057 0.000 0.803 383 P CB 0.325 32.072 31.700 0.079 0.000 0.782 384 N N -0.997 117.708 118.700 0.008 0.000 2.571 384 N HA 0.030 4.769 4.740 -0.002 0.000 0.189 384 N C 1.010 176.474 175.510 -0.076 0.000 1.154 384 N CA 0.555 53.590 53.050 -0.025 0.000 0.907 384 N CB -0.433 37.949 38.487 -0.174 0.000 0.977 384 N HN 0.111 nan 8.380 nan 0.000 0.449 385 G N -0.259 108.370 108.800 -0.284 0.000 2.410 385 G HA2 0.585 4.544 3.960 -0.002 0.000 0.330 385 G HA3 0.585 4.544 3.960 -0.002 0.000 0.330 385 G C -0.848 174.089 174.900 0.061 0.000 1.142 385 G CA -0.534 44.275 45.100 -0.485 0.000 0.902 385 G HN 0.156 nan 8.290 nan 0.000 0.491 386 F N -0.196 119.808 119.950 0.090 0.000 2.703 386 F HA 0.662 5.188 4.527 -0.001 0.000 0.308 386 F C -0.832 175.073 175.800 0.175 0.000 1.126 386 F CA -1.783 56.277 58.000 0.099 0.000 0.959 386 F CB 1.031 40.101 39.000 0.116 0.000 1.297 386 F HN 0.642 nan 8.300 nan 0.000 0.441 387 I N 0.959 121.666 120.570 0.229 0.000 2.607 387 I HA 0.976 5.145 4.170 -0.002 0.000 0.305 387 I C -0.805 175.389 176.117 0.129 0.000 0.995 387 I CA -1.198 60.190 61.300 0.147 0.000 1.148 387 I CB 1.976 40.073 38.000 0.162 0.000 1.323 387 I HN 0.972 nan 8.210 nan 0.000 0.461 388 A N 6.833 129.699 122.820 0.077 0.000 2.319 388 A HA 0.761 5.080 4.320 -0.002 0.000 0.310 388 A C -0.859 176.735 177.584 0.018 0.000 1.152 388 A CA -0.557 51.530 52.037 0.083 0.000 0.783 388 A CB 0.887 20.003 19.000 0.193 0.000 1.184 388 A HN 0.758 nan 8.150 nan 0.000 0.474 389 L N 3.444 124.623 121.223 -0.073 0.000 2.305 389 L HA 0.442 4.781 4.340 -0.002 0.000 0.284 389 L C -0.447 176.541 176.870 0.198 0.000 1.013 389 L CA -0.572 54.217 54.840 -0.085 0.000 0.819 389 L CB 1.403 43.071 42.059 -0.652 0.000 1.227 389 L HN 0.642 nan 8.230 nan 0.000 0.417 390 N N 1.860 120.834 118.700 0.457 0.000 2.284 390 N HA 0.455 5.194 4.740 -0.002 0.000 0.300 390 N C -0.365 175.522 175.510 0.628 0.000 1.047 390 N CA -0.363 53.040 53.050 0.590 0.000 0.821 390 N CB 2.741 41.531 38.487 0.504 0.000 1.337 390 N HN 0.676 nan 8.380 nan 0.000 0.482 391 G N 1.100 110.220 108.800 0.532 0.000 2.377 391 G HA2 0.481 4.439 3.960 -0.002 0.000 0.299 391 G HA3 0.481 4.439 3.960 -0.002 0.000 0.299 391 G C -0.275 174.905 174.900 0.468 0.000 1.150 391 G CA -0.087 45.190 45.100 0.295 0.000 0.847 391 G HN 0.304 nan 8.290 nan 0.000 0.501 392 F N 1.118 121.130 119.950 0.104 0.000 2.637 392 F HA 0.704 5.231 4.527 -0.001 0.000 0.187 392 F C 1.654 177.512 175.800 0.096 0.000 1.055 392 F CA 0.360 58.445 58.000 0.142 0.000 0.977 392 F CB -0.431 38.625 39.000 0.093 0.000 2.212 392 F HN 0.928 nan 8.300 nan 0.000 0.645 393 G N -0.329 108.665 108.800 0.324 0.000 2.697 393 G HA2 0.304 4.263 3.960 -0.002 0.000 0.240 393 G HA3 0.304 4.263 3.960 -0.002 0.000 0.240 393 G C 0.535 175.498 174.900 0.104 0.000 1.346 393 G CA -0.050 45.151 45.100 0.167 0.000 0.887 393 G HN 1.839 nan 8.290 nan 0.000 0.569 394 G N -1.481 107.358 108.800 0.064 0.000 2.622 394 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.307 394 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.307 394 G C 1.228 176.130 174.900 0.003 0.000 1.226 394 G CA 1.942 47.057 45.100 0.025 0.000 0.997 394 G HN 2.134 nan 8.290 nan 0.000 0.551 395 Q N -0.344 119.431 119.800 -0.042 0.000 2.291 395 Q HA 0.156 4.495 4.340 -0.002 0.000 0.205 395 Q C 2.685 178.671 176.000 -0.022 0.000 0.970 395 Q CA 2.123 57.889 55.803 -0.062 0.000 0.876 395 Q CB -0.241 28.419 28.738 -0.130 0.000 0.935 395 Q HN 0.555 nan 8.270 nan 0.000 0.455 396 M N -0.708 118.895 119.600 0.005 0.000 2.374 396 M HA -0.003 4.476 4.480 -0.002 0.000 0.264 396 M C 1.197 177.582 176.300 0.142 0.000 1.067 396 M CA 0.988 56.325 55.300 0.063 0.000 1.103 396 M CB -0.308 32.305 32.600 0.021 0.000 1.402 396 M HN 0.066 nan 8.290 nan 0.000 0.444 397 S N -0.608 115.158 115.700 0.110 0.000 2.540 397 S HA 0.130 4.599 4.470 -0.002 0.000 0.218 397 S C 1.521 176.160 174.600 0.065 0.000 0.977 397 S CA 0.029 58.297 58.200 0.113 0.000 0.918 397 S CB 0.424 63.687 63.200 0.105 0.000 0.806 397 S HN 0.445 nan 8.310 nan 0.000 0.496 398 K N 0.674 121.093 120.400 0.032 0.000 2.348 398 K HA 0.295 4.614 4.320 -0.002 0.000 0.194 398 K C 0.084 176.667 176.600 -0.028 0.000 1.052 398 K CA 0.282 56.568 56.287 -0.003 0.000 1.004 398 K CB 0.375 32.858 32.500 -0.028 0.000 0.873 398 K HN 0.296 nan 8.250 nan 0.000 0.523 399 I N 2.513 123.069 120.570 -0.023 0.000 2.496 399 I HA -0.009 4.160 4.170 -0.002 0.000 0.285 399 I C 0.191 176.343 176.117 0.058 0.000 1.080 399 I CA -0.181 61.082 61.300 -0.061 0.000 1.404 399 I CB 1.222 39.202 38.000 -0.034 0.000 1.403 399 I HN -0.009 nan 8.210 nan 0.000 0.539 400 S N 3.636 119.376 115.700 0.067 0.000 2.563 400 S HA -0.054 4.415 4.470 -0.002 0.000 0.284 400 S C 1.421 176.157 174.600 0.228 0.000 1.331 400 S CA -0.176 58.113 58.200 0.150 0.000 1.047 400 S CB 0.945 64.250 63.200 0.175 0.000 0.859 400 S HN 0.866 nan 8.310 nan 0.000 0.514 401 S N 1.073 116.881 115.700 0.182 0.000 2.419 401 S HA -0.166 4.303 4.470 -0.002 0.000 0.233 401 S C 1.014 175.758 174.600 0.241 0.000 1.016 401 S CA 1.222 59.527 58.200 0.175 0.000 0.974 401 S CB -0.345 62.920 63.200 0.109 0.000 0.786 401 S HN 0.869 nan 8.310 nan 0.000 0.492 402 D N -0.447 120.114 120.400 0.268 0.000 2.402 402 D HA 0.085 4.724 4.640 -0.002 0.000 0.216 402 D C 1.113 177.687 176.300 0.457 0.000 1.128 402 D CA -0.569 53.631 54.000 0.334 0.000 0.833 402 D CB -0.692 40.208 40.800 0.168 0.000 0.971 402 D HN 0.369 nan 8.370 nan 0.000 0.503 403 F N 2.805 122.926 119.950 0.284 0.000 2.134 403 F HA -0.022 4.504 4.527 -0.002 0.000 0.299 403 F C 0.688 176.746 175.800 0.431 0.000 1.097 403 F CA 1.610 59.777 58.000 0.278 0.000 1.264 403 F CB -0.201 38.906 39.000 0.178 0.000 1.001 403 F HN 0.026 nan 8.300 nan 0.000 0.479 404 T N -4.366 110.352 114.554 0.274 0.000 2.865 404 T HA 0.384 4.733 4.350 -0.002 0.000 0.294 404 T C -2.100 172.559 174.700 -0.069 0.000 1.119 404 T CA -1.777 60.231 62.100 -0.154 0.000 1.007 404 T CB 1.420 70.139 68.868 -0.248 0.000 1.225 404 T HN -0.337 nan 8.240 nan 0.000 0.515 405 P HA -0.029 nan 4.420 nan 0.000 0.217 405 P C 0.283 177.721 177.300 0.230 0.000 1.148 405 P CA 0.627 63.547 63.100 -0.300 0.000 0.834 405 P CB -0.186 31.166 31.700 -0.581 0.000 0.783 406 F N 1.220 121.236 119.950 0.110 0.000 2.538 406 F HA 0.076 4.602 4.527 -0.002 0.000 0.382 406 F C -1.589 174.261 175.800 0.084 0.000 1.069 406 F CA -1.925 56.167 58.000 0.153 0.000 1.138 406 F CB 0.525 39.620 39.000 0.157 0.000 1.068 406 F HN 0.018 nan 8.300 nan 0.000 0.556 407 P HA -0.061 nan 4.420 nan 0.000 0.224 407 P C -0.326 176.746 177.300 -0.381 0.000 1.159 407 P CA 0.751 63.636 63.100 -0.358 0.000 0.824 407 P CB 0.108 31.562 31.700 -0.411 0.000 0.833 408 H N 1.608 120.404 119.070 -0.457 0.000 3.289 408 H HA 0.192 4.747 4.556 -0.002 0.000 0.248 408 H C 0.994 176.440 175.328 0.197 0.000 1.175 408 H CA 0.466 56.394 56.048 -0.200 0.000 1.496 408 H CB 0.187 29.744 29.762 -0.342 0.000 1.571 408 H HN 0.100 nan 8.280 nan 0.000 0.495 409 R N 0.903 121.561 120.500 0.262 0.000 2.787 409 R HA 0.140 4.478 4.340 -0.002 0.000 0.097 409 R C 0.354 176.792 176.300 0.231 0.000 0.862 409 R CA -0.825 55.462 56.100 0.311 0.000 0.681 409 R CB -0.434 30.005 30.300 0.232 0.000 0.589 409 R HN 0.326 nan 8.270 nan 0.000 0.348 410 S N 0.347 116.141 115.700 0.158 0.000 2.629 410 S HA 0.272 4.741 4.470 -0.002 0.000 0.302 410 S C 0.963 175.616 174.600 0.089 0.000 1.244 410 S CA 1.379 59.647 58.200 0.113 0.000 1.098 410 S CB -0.433 62.816 63.200 0.081 0.000 0.858 410 S HN 0.677 nan 8.310 nan 0.000 0.502 411 G N 3.732 112.578 108.800 0.076 0.000 2.436 411 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.204 411 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.204 411 G C 0.218 175.125 174.900 0.011 0.000 1.026 411 G CA -0.047 45.078 45.100 0.041 0.000 0.658 411 G HN 0.826 nan 8.290 nan 0.000 0.499 412 T N 1.916 116.478 114.554 0.013 0.000 2.853 412 T HA 0.470 4.819 4.350 -0.002 0.000 0.298 412 T C 1.400 176.032 174.700 -0.113 0.000 0.978 412 T CA 0.585 62.604 62.100 -0.135 0.000 1.152 412 T CB 1.625 70.336 68.868 -0.262 0.000 0.914 412 T HN 0.436 nan 8.240 nan 0.000 0.539 413 R N 1.913 122.306 120.500 -0.178 0.000 2.102 413 R HA 0.367 4.706 4.340 -0.002 0.000 0.208 413 R C 0.248 176.499 176.300 -0.082 0.000 1.131 413 R CA 0.367 56.417 56.100 -0.083 0.000 1.054 413 R CB 0.253 30.503 30.300 -0.083 0.000 0.954 413 R HN 0.435 nan 8.270 nan 0.000 0.465 414 L N 0.502 121.622 121.223 -0.171 0.000 2.350 414 L HA 0.516 4.855 4.340 -0.002 0.000 0.260 414 L C -0.896 175.852 176.870 -0.202 0.000 1.015 414 L CA -0.839 53.978 54.840 -0.037 0.000 0.821 414 L CB 2.384 44.511 42.059 0.114 0.000 1.370 414 L HN 0.031 nan 8.230 nan 0.000 0.416 415 M N 2.621 122.222 119.600 0.002 0.000 2.036 415 M HA 0.440 4.919 4.480 -0.002 0.000 0.337 415 M C -1.440 174.868 176.300 0.014 0.000 1.012 415 M CA -0.557 54.703 55.300 -0.067 0.000 0.962 415 M CB 1.133 33.724 32.600 -0.015 0.000 1.423 415 M HN 0.306 nan 8.290 nan 0.000 0.405 416 V N 4.112 123.987 119.914 -0.064 0.000 2.546 416 V HA 0.401 4.520 4.120 -0.002 0.000 0.284 416 V C -0.233 175.631 176.094 -0.383 0.000 1.050 416 V CA -0.393 61.814 62.300 -0.155 0.000 0.981 416 V CB 1.454 33.196 31.823 -0.136 0.000 0.990 416 V HN 0.805 nan 8.190 nan 0.000 0.474 417 E N 3.204 123.155 120.200 -0.415 0.000 2.260 417 E HA 0.466 4.815 4.350 -0.002 0.000 0.266 417 E C -1.959 174.429 176.600 -0.354 0.000 0.887 417 E CA -0.635 55.571 56.400 -0.323 0.000 0.777 417 E CB 1.427 31.152 29.700 0.041 0.000 1.205 417 E HN 0.654 nan 8.360 nan 0.000 0.414 418 Y N 3.908 124.293 120.300 0.140 0.000 2.331 418 Y HA 0.487 5.037 4.550 -0.001 0.000 0.338 418 Y C -0.206 175.725 175.900 0.052 0.000 0.976 418 Y CA -0.864 57.307 58.100 0.118 0.000 1.137 418 Y CB 0.647 39.188 38.460 0.135 0.000 1.172 418 Y HN 0.331 nan 8.280 nan 0.000 0.478 419 I N 3.013 123.578 120.570 -0.009 0.000 2.846 419 I HA 0.678 4.847 4.170 -0.002 0.000 0.307 419 I C -0.892 175.150 176.117 -0.124 0.000 1.053 419 I CA -1.132 60.027 61.300 -0.235 0.000 1.050 419 I CB 2.284 39.778 38.000 -0.843 0.000 1.239 419 I HN 0.400 nan 8.210 nan 0.000 0.439 420 V N 3.376 123.320 119.914 0.050 0.000 2.711 420 V HA 0.912 5.031 4.120 -0.002 0.000 0.304 420 V C -1.325 174.893 176.094 0.207 0.000 1.097 420 V CA -0.122 62.246 62.300 0.113 0.000 0.906 420 V CB 1.517 33.517 31.823 0.296 0.000 1.015 420 V HN 0.986 nan 8.190 nan 0.000 0.427 421 A N 6.295 129.175 122.820 0.099 0.000 2.435 421 A HA 1.049 5.368 4.320 -0.002 0.000 0.304 421 A C -1.284 176.252 177.584 -0.081 0.000 1.064 421 A CA -0.488 51.534 52.037 -0.025 0.000 0.727 421 A CB 1.414 20.456 19.000 0.070 0.000 1.284 421 A HN 1.653 nan 8.150 nan 0.000 0.415 422 W N 1.141 122.291 121.300 -0.250 0.000 3.040 422 W HA 0.730 5.390 4.660 -0.000 0.000 0.344 422 W C -0.675 175.806 176.519 -0.062 0.000 1.201 422 W CA -0.827 56.345 57.345 -0.289 0.000 1.119 422 W CB 0.886 30.073 29.460 -0.455 0.000 1.478 422 W HN 0.586 nan 8.180 nan 0.000 0.586 423 N N 0.159 118.997 118.700 0.231 0.000 2.477 423 N HA 0.136 4.875 4.740 -0.002 0.000 0.284 423 N C 0.685 176.334 175.510 0.233 0.000 1.182 423 N CA -0.308 52.828 53.050 0.143 0.000 0.949 423 N CB 1.792 40.348 38.487 0.116 0.000 1.204 423 N HN 0.766 nan 8.380 nan 0.000 0.526 424 Q N -0.059 119.826 119.800 0.141 0.000 2.297 424 Q HA -0.077 4.262 4.340 -0.002 0.000 0.208 424 Q C 1.465 177.558 176.000 0.154 0.000 0.981 424 Q CA 1.289 57.182 55.803 0.149 0.000 0.876 424 Q CB 0.102 28.890 28.738 0.084 0.000 0.921 424 Q HN 0.550 nan 8.270 nan 0.000 0.446 425 S N 0.986 116.770 115.700 0.140 0.000 2.402 425 S HA -0.113 4.356 4.470 -0.002 0.000 0.229 425 S C 1.078 175.767 174.600 0.149 0.000 1.021 425 S CA 0.999 59.269 58.200 0.117 0.000 0.974 425 S CB -0.002 63.255 63.200 0.095 0.000 0.800 425 S HN 0.404 nan 8.310 nan 0.000 0.484 426 E N 0.713 121.056 120.200 0.238 0.000 2.465 426 E HA 0.139 4.488 4.350 -0.002 0.000 0.195 426 E C 1.410 178.174 176.600 0.272 0.000 1.028 426 E CA -0.196 56.379 56.400 0.291 0.000 0.899 426 E CB 0.057 30.038 29.700 0.468 0.000 1.032 426 E HN 0.488 nan 8.360 nan 0.000 0.468 427 Q N 0.843 120.802 119.800 0.266 0.000 2.234 427 Q HA -0.169 4.170 4.340 -0.002 0.000 0.206 427 Q C 1.600 177.619 176.000 0.033 0.000 0.980 427 Q CA 0.990 56.926 55.803 0.222 0.000 0.869 427 Q CB 0.134 29.007 28.738 0.226 0.000 0.912 427 Q HN 0.087 nan 8.270 nan 0.000 0.436 428 K N 0.895 121.301 120.400 0.010 0.000 2.057 428 K HA -0.098 4.221 4.320 -0.002 0.000 0.206 428 K C 1.626 178.133 176.600 -0.155 0.000 1.050 428 K CA 1.021 57.276 56.287 -0.053 0.000 0.935 428 K CB -0.176 32.303 32.500 -0.035 0.000 0.715 428 K HN 0.165 nan 8.250 nan 0.000 0.439 429 K N 1.563 121.829 120.400 -0.223 0.000 2.585 429 K HA -0.102 4.216 4.320 -0.002 0.000 0.194 429 K C 1.867 178.079 176.600 -0.646 0.000 1.037 429 K CA 0.399 56.383 56.287 -0.506 0.000 0.964 429 K CB -0.010 32.021 32.500 -0.781 0.000 0.787 429 K HN 0.157 nan 8.250 nan 0.000 0.488 430 K N 0.917 121.037 120.400 -0.466 0.000 2.013 430 K HA -0.259 4.060 4.320 -0.002 0.000 0.225 430 K C 1.630 177.983 176.600 -0.411 0.000 1.056 430 K CA 2.494 58.430 56.287 -0.585 0.000 0.971 430 K CB -0.293 32.023 32.500 -0.306 0.000 0.731 430 K HN 0.026 nan 8.250 nan 0.000 0.450 431 T N 0.714 115.115 114.554 -0.256 0.000 2.803 431 T HA -0.188 4.161 4.350 -0.002 0.000 0.269 431 T C 1.709 176.307 174.700 -0.169 0.000 1.052 431 T CA 1.763 63.766 62.100 -0.162 0.000 1.136 431 T CB -0.249 68.551 68.868 -0.112 0.000 0.864 431 T HN 0.485 nan 8.240 nan 0.000 0.467 432 E N 0.004 120.033 120.200 -0.284 0.000 2.072 432 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 432 E C 1.704 178.183 176.600 -0.201 0.000 0.985 432 E CA 0.950 57.181 56.400 -0.282 0.000 0.801 432 E CB -0.164 29.277 29.700 -0.431 0.000 0.750 432 E HN 0.468 nan 8.360 nan 0.000 0.452 433 F N 1.052 120.897 119.950 -0.175 0.000 2.134 433 F HA -0.144 4.382 4.527 -0.001 0.000 0.299 433 F C 2.219 178.066 175.800 0.077 0.000 1.097 433 F CA 0.964 58.904 58.000 -0.099 0.000 1.264 433 F CB -0.535 38.257 39.000 -0.347 0.000 1.001 433 F HN 0.060 nan 8.300 nan 0.000 0.479 434 L N -0.679 120.634 121.223 0.151 0.000 2.093 434 L HA -0.188 4.151 4.340 -0.002 0.000 0.208 434 L C 2.037 178.992 176.870 0.141 0.000 1.085 434 L CA 1.069 56.004 54.840 0.157 0.000 0.755 434 L CB -0.749 41.351 42.059 0.068 0.000 0.904 434 L HN 0.025 nan 8.230 nan 0.000 0.435 435 D N -0.468 119.990 120.400 0.097 0.000 2.104 435 D HA -0.235 4.404 4.640 -0.002 0.000 0.194 435 D C 1.674 178.050 176.300 0.126 0.000 0.994 435 D CA 1.142 55.187 54.000 0.075 0.000 0.830 435 D CB -0.253 40.565 40.800 0.030 0.000 0.959 435 D HN 0.392 nan 8.370 nan 0.000 0.452 436 W N 1.246 122.558 121.300 0.021 0.000 2.333 436 W HA -0.220 4.439 4.660 -0.002 0.000 0.316 436 W C 2.111 178.665 176.519 0.057 0.000 1.215 436 W CA 1.217 58.589 57.345 0.044 0.000 1.278 436 W CB -0.656 28.858 29.460 0.090 0.000 1.154 436 W HN 0.023 nan 8.180 nan 0.000 0.486 437 L N 1.439 122.838 121.223 0.294 0.000 2.079 437 L HA -0.218 4.121 4.340 -0.002 0.000 0.210 437 L C 2.412 179.207 176.870 -0.125 0.000 1.081 437 L CA 2.742 57.597 54.840 0.025 0.000 0.752 437 L CB -1.154 41.092 42.059 0.312 0.000 0.896 437 L HN 0.313 nan 8.230 nan 0.000 0.433 438 E N -0.676 119.502 120.200 -0.036 0.000 2.106 438 E HA -0.242 4.107 4.350 -0.002 0.000 0.192 438 E C 2.075 178.632 176.600 -0.072 0.000 0.984 438 E CA 1.157 57.540 56.400 -0.028 0.000 0.806 438 E CB 0.004 29.706 29.700 0.003 0.000 0.750 438 E HN 0.545 nan 8.360 nan 0.000 0.458 439 K N -0.052 120.257 120.400 -0.150 0.000 2.097 439 K HA -0.075 4.244 4.320 -0.002 0.000 0.205 439 K C 2.135 178.593 176.600 -0.236 0.000 1.050 439 K CA 1.124 57.309 56.287 -0.171 0.000 0.938 439 K CB 0.103 32.495 32.500 -0.182 0.000 0.718 439 K HN 0.036 nan 8.250 nan 0.000 0.442 440 V N 0.529 120.157 119.914 -0.476 0.000 2.307 440 V HA -0.250 3.869 4.120 -0.002 0.000 0.245 440 V C 2.000 177.856 176.094 -0.397 0.000 1.045 440 V CA 1.557 63.550 62.300 -0.512 0.000 1.024 440 V CB -0.497 30.759 31.823 -0.946 0.000 0.651 440 V HN 0.247 nan 8.190 nan 0.000 0.449 441 Y N 1.375 121.352 120.300 -0.538 0.000 2.181 441 Y HA -0.252 4.297 4.550 -0.002 0.000 0.288 441 Y C 2.590 178.339 175.900 -0.252 0.000 1.146 441 Y CA 2.216 60.044 58.100 -0.454 0.000 1.164 441 Y CB -0.168 38.145 38.460 -0.246 0.000 0.982 441 Y HN 0.384 nan 8.280 nan 0.000 0.515 442 E N -0.197 119.949 120.200 -0.092 0.000 2.110 442 E HA -0.262 4.087 4.350 -0.002 0.000 0.193 442 E C 1.986 178.493 176.600 -0.154 0.000 0.988 442 E CA 1.602 57.932 56.400 -0.115 0.000 0.804 442 E CB -0.958 28.718 29.700 -0.042 0.000 0.745 442 E HN 0.477 nan 8.360 nan 0.000 0.458 443 F N 0.082 119.893 119.950 -0.231 0.000 2.293 443 F HA -0.022 4.504 4.527 -0.003 0.000 0.300 443 F C 1.659 177.356 175.800 -0.171 0.000 1.086 443 F CA 1.115 59.011 58.000 -0.172 0.000 1.375 443 F CB 0.023 38.950 39.000 -0.120 0.000 1.045 443 F HN 0.058 nan 8.300 nan 0.000 0.516 444 M N 0.233 119.559 119.600 -0.457 0.000 2.541 444 M HA 0.009 4.488 4.480 -0.002 0.000 0.252 444 M C 2.047 178.041 176.300 -0.510 0.000 1.125 444 M CA 0.568 55.609 55.300 -0.432 0.000 1.091 444 M CB -0.785 31.682 32.600 -0.222 0.000 1.420 444 M HN 0.226 nan 8.290 nan 0.000 0.486 445 K N 1.374 121.444 120.400 -0.551 0.000 2.074 445 K HA -0.161 4.158 4.320 -0.002 0.000 0.209 445 K C -1.032 175.279 176.600 -0.482 0.000 1.048 445 K CA 1.557 57.556 56.287 -0.480 0.000 0.926 445 K CB -0.638 31.633 32.500 -0.382 0.000 0.713 445 K HN 0.138 nan 8.250 nan 0.000 0.444 446 P HA -0.067 nan 4.420 nan 0.000 0.222 446 P C 0.427 177.368 177.300 -0.598 0.000 1.153 446 P CA 0.996 63.680 63.100 -0.694 0.000 0.798 446 P CB 0.072 31.207 31.700 -0.942 0.000 0.796 447 F N -1.338 118.450 119.950 -0.270 0.000 2.754 447 F HA 0.076 4.602 4.527 -0.001 0.000 0.297 447 F C 1.537 177.220 175.800 -0.195 0.000 1.122 447 F CA -0.270 57.590 58.000 -0.235 0.000 1.400 447 F CB -1.146 37.676 39.000 -0.296 0.000 1.117 447 F HN -0.211 nan 8.300 nan 0.000 0.587 448 V N -2.357 117.501 119.914 -0.093 0.000 3.420 448 V HA 0.634 4.753 4.120 -0.002 0.000 0.295 448 V C 0.570 176.593 176.094 -0.118 0.000 1.201 448 V CA -1.102 61.139 62.300 -0.099 0.000 0.995 448 V CB 0.575 32.328 31.823 -0.116 0.000 1.244 448 V HN 0.071 nan 8.190 nan 0.000 0.466 449 S N 0.211 115.840 115.700 -0.119 0.000 2.579 449 S HA 0.485 4.954 4.470 -0.002 0.000 0.275 449 S C -0.404 174.132 174.600 -0.106 0.000 1.345 449 S CA -0.496 57.640 58.200 -0.107 0.000 1.031 449 S CB 0.061 63.192 63.200 -0.115 0.000 0.892 449 S HN 0.806 nan 8.310 nan 0.000 0.529 450 K N 0.422 120.770 120.400 -0.086 0.000 2.482 450 K HA 0.411 4.730 4.320 -0.002 0.000 0.257 450 K C -0.971 175.593 176.600 -0.060 0.000 0.969 450 K CA -1.148 55.090 56.287 -0.083 0.000 0.842 450 K CB 1.002 33.448 32.500 -0.090 0.000 1.359 450 K HN 0.630 nan 8.250 nan 0.000 0.441 451 N N 1.224 119.890 118.700 -0.056 0.000 2.669 451 N HA -0.124 4.615 4.740 -0.002 0.000 0.266 451 N C -2.578 172.910 175.510 -0.035 0.000 1.024 451 N CA 0.526 53.549 53.050 -0.045 0.000 0.766 451 N CB -1.396 37.067 38.487 -0.040 0.000 0.898 451 N HN 0.460 nan 8.380 nan 0.000 0.548 452 P HA 0.315 nan 4.420 nan 0.000 0.285 452 P C 0.038 177.309 177.300 -0.048 0.000 1.280 452 P CA -0.779 62.293 63.100 -0.047 0.000 0.862 452 P CB 1.059 32.725 31.700 -0.057 0.000 1.153 453 R N 1.480 121.951 120.500 -0.048 0.000 2.345 453 R HA 0.208 4.547 4.340 -0.002 0.000 0.331 453 R C -0.038 176.245 176.300 -0.029 0.000 1.067 453 R CA -0.201 55.871 56.100 -0.048 0.000 0.962 453 R CB -0.895 29.384 30.300 -0.034 0.000 0.987 453 R HN 0.402 nan 8.270 nan 0.000 0.451 454 L N 3.155 124.341 121.223 -0.062 0.000 2.482 454 L HA 0.308 4.647 4.340 -0.002 0.000 0.273 454 L C 1.094 177.939 176.870 -0.042 0.000 1.228 454 L CA 0.244 55.033 54.840 -0.084 0.000 0.827 454 L CB 0.559 42.459 42.059 -0.266 0.000 1.099 454 L HN 0.806 nan 8.230 nan 0.000 0.494 455 G N -0.200 108.622 108.800 0.037 0.000 2.727 455 G HA2 0.488 4.447 3.960 -0.002 0.000 0.289 455 G HA3 0.488 4.447 3.960 -0.002 0.000 0.289 455 G C -2.401 172.788 174.900 0.480 0.000 1.418 455 G CA -0.288 44.954 45.100 0.237 0.000 0.818 455 G HN 0.327 nan 8.290 nan 0.000 0.486 456 Y N 0.797 121.319 120.300 0.371 0.000 2.338 456 Y HA 0.481 5.030 4.550 -0.002 0.000 0.333 456 Y C 0.842 176.794 175.900 0.086 0.000 0.968 456 Y CA -1.175 57.109 58.100 0.307 0.000 1.123 456 Y CB 1.877 40.461 38.460 0.207 0.000 1.165 456 Y HN 0.415 nan 8.280 nan 0.000 0.452 457 V N 5.333 125.024 119.914 -0.373 0.000 2.469 457 V HA -0.250 3.869 4.120 -0.002 0.000 0.251 457 V C 1.480 177.210 176.094 -0.606 0.000 1.064 457 V CA 2.464 64.272 62.300 -0.820 0.000 1.066 457 V CB -0.241 31.341 31.823 -0.401 0.000 0.667 457 V HN 0.841 nan 8.190 nan 0.000 0.461 458 N N -0.476 117.681 118.700 -0.905 0.000 2.512 458 N HA -0.072 4.667 4.740 -0.002 0.000 0.183 458 N C 0.601 175.870 175.510 -0.402 0.000 1.073 458 N CA 0.762 53.414 53.050 -0.663 0.000 0.911 458 N CB -0.233 37.836 38.487 -0.698 0.000 0.964 458 N HN 0.632 nan 8.380 nan 0.000 0.447 459 H N -0.046 118.812 119.070 -0.354 0.000 2.524 459 H HA 0.303 4.857 4.556 -0.002 0.000 0.297 459 H C 0.084 175.524 175.328 0.187 0.000 1.115 459 H CA -0.604 55.562 56.048 0.196 0.000 1.027 459 H CB -0.282 29.727 29.762 0.411 0.000 1.591 459 H HN 0.115 nan 8.280 nan 0.000 0.543 460 I N 1.351 121.948 120.570 0.045 0.000 2.989 460 I HA -0.169 4.000 4.170 -0.002 0.000 0.311 460 I C -0.127 176.114 176.117 0.206 0.000 1.221 460 I CA 0.950 62.281 61.300 0.050 0.000 1.449 460 I CB 0.323 38.278 38.000 -0.076 0.000 1.325 460 I HN 0.276 nan 8.210 nan 0.000 0.557 461 D N 7.466 128.029 120.400 0.271 0.000 2.440 461 D HA 0.205 4.844 4.640 -0.002 0.000 0.252 461 D C 0.710 177.039 176.300 0.047 0.000 1.180 461 D CA -0.362 53.732 54.000 0.156 0.000 0.894 461 D CB 1.044 41.926 40.800 0.136 0.000 1.111 461 D HN 0.510 nan 8.370 nan 0.000 0.544 462 L N 2.071 123.294 121.223 0.001 0.000 2.450 462 L HA -0.093 4.246 4.340 -0.002 0.000 0.224 462 L C 1.204 178.024 176.870 -0.084 0.000 1.149 462 L CA 0.572 55.360 54.840 -0.088 0.000 0.816 462 L CB 0.022 42.049 42.059 -0.053 0.000 0.932 462 L HN 0.316 nan 8.230 nan 0.000 0.449 463 D N 0.401 120.779 120.400 -0.036 0.000 2.218 463 D HA -0.131 4.508 4.640 -0.002 0.000 0.204 463 D C 2.128 178.415 176.300 -0.022 0.000 0.976 463 D CA 1.058 55.039 54.000 -0.031 0.000 0.853 463 D CB -0.056 40.719 40.800 -0.042 0.000 0.939 463 D HN 0.332 nan 8.370 nan 0.000 0.481 464 L N -0.257 120.953 121.223 -0.021 0.000 2.633 464 L HA 0.145 4.484 4.340 -0.002 0.000 0.235 464 L C 1.307 178.225 176.870 0.080 0.000 1.163 464 L CA 0.188 55.059 54.840 0.052 0.000 0.859 464 L CB -0.774 41.333 42.059 0.079 0.000 0.973 464 L HN 0.069 nan 8.230 nan 0.000 0.451 465 G N -0.906 107.828 108.800 -0.109 0.000 2.483 465 G HA2 0.233 4.192 3.960 -0.002 0.000 0.521 465 G HA3 0.233 4.192 3.960 -0.002 0.000 0.521 465 G C -0.503 173.987 174.900 -0.683 0.000 1.278 465 G CA -0.656 44.333 45.100 -0.185 0.000 0.965 465 G HN 0.453 nan 8.290 nan 0.000 0.504 466 G N -1.689 106.750 108.800 -0.601 0.000 2.550 466 G HA2 0.666 4.625 3.960 -0.002 0.000 0.293 466 G HA3 0.666 4.625 3.960 -0.002 0.000 0.293 466 G C -1.632 173.158 174.900 -0.184 0.000 1.402 466 G CA -0.358 44.377 45.100 -0.609 0.000 0.784 466 G HN 1.125 nan 8.290 nan 0.000 0.482 467 I N 1.159 121.615 120.570 -0.190 0.000 2.465 467 I HA 0.323 4.492 4.170 -0.002 0.000 0.291 467 I C -1.185 174.686 176.117 -0.410 0.000 1.014 467 I CA -0.748 60.355 61.300 -0.327 0.000 1.093 467 I CB 1.770 39.367 38.000 -0.672 0.000 1.267 467 I HN 0.472 nan 8.210 nan 0.000 0.431 468 D N 5.496 125.710 120.400 -0.310 0.000 2.441 468 D HA 0.122 4.761 4.640 -0.002 0.000 0.221 468 D C 0.560 176.751 176.300 -0.182 0.000 1.156 468 D CA -0.237 53.658 54.000 -0.174 0.000 0.896 468 D CB 0.341 41.093 40.800 -0.080 0.000 1.028 468 D HN 0.384 nan 8.370 nan 0.000 0.509 469 W N 2.145 123.454 121.300 0.016 0.000 2.961 469 W HA 0.139 4.799 4.660 -0.001 0.000 0.240 469 W C 2.084 178.608 176.519 0.008 0.000 1.305 469 W CA -0.077 57.276 57.345 0.013 0.000 1.465 469 W CB 0.528 29.990 29.460 0.003 0.000 1.135 469 W HN 0.541 nan 8.180 nan 0.000 0.688 470 G N -0.600 108.298 108.800 0.163 0.000 2.796 470 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.210 470 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.210 470 G C 0.428 175.365 174.900 0.062 0.000 1.146 470 G CA -0.196 44.967 45.100 0.105 0.000 0.779 470 G HN -0.031 nan 8.290 nan 0.000 0.535 471 N N 1.026 119.746 118.700 0.034 0.000 2.500 471 N HA 0.122 4.861 4.740 -0.002 0.000 0.236 471 N C 1.178 176.695 175.510 0.011 0.000 1.022 471 N CA -0.257 52.799 53.050 0.009 0.000 0.935 471 N CB 1.385 39.861 38.487 -0.018 0.000 1.147 471 N HN 0.209 nan 8.380 nan 0.000 0.512 472 K N 2.110 122.527 120.400 0.028 0.000 2.209 472 K HA -0.082 4.237 4.320 -0.002 0.000 0.204 472 K C 1.006 177.616 176.600 0.017 0.000 1.048 472 K CA 1.445 57.754 56.287 0.035 0.000 0.940 472 K CB 0.181 32.703 32.500 0.037 0.000 0.729 472 K HN 0.370 nan 8.250 nan 0.000 0.451 473 T N 0.302 114.859 114.554 0.005 0.000 2.759 473 T HA -0.117 4.232 4.350 -0.002 0.000 0.269 473 T C 1.752 176.444 174.700 -0.015 0.000 1.042 473 T CA 1.507 63.605 62.100 -0.002 0.000 1.140 473 T CB -0.069 68.796 68.868 -0.004 0.000 0.864 473 T HN 0.037 nan 8.240 nan 0.000 0.455 474 V N 0.773 120.667 119.914 -0.034 0.000 2.535 474 V HA -0.046 4.073 4.120 -0.002 0.000 0.246 474 V C 2.594 178.630 176.094 -0.096 0.000 1.045 474 V CA 0.821 63.079 62.300 -0.069 0.000 1.058 474 V CB -0.320 31.442 31.823 -0.103 0.000 0.689 474 V HN 0.290 nan 8.190 nan 0.000 0.461 475 V N 0.908 120.780 119.914 -0.071 0.000 2.469 475 V HA -0.233 3.886 4.120 -0.002 0.000 0.251 475 V C 2.227 178.346 176.094 0.042 0.000 1.064 475 V CA 1.901 64.191 62.300 -0.018 0.000 1.066 475 V CB -0.845 31.056 31.823 0.130 0.000 0.667 475 V HN 0.573 nan 8.190 nan 0.000 0.461 476 N N 0.446 119.163 118.700 0.028 0.000 2.381 476 N HA -0.088 4.651 4.740 -0.002 0.000 0.182 476 N C 1.323 176.846 175.510 0.022 0.000 1.025 476 N CA 0.917 53.988 53.050 0.034 0.000 0.888 476 N CB -0.308 38.194 38.487 0.024 0.000 0.965 476 N HN 0.434 nan 8.380 nan 0.000 0.438 477 N N -0.099 118.599 118.700 -0.002 0.000 2.338 477 N HA 0.276 5.015 4.740 -0.002 0.000 0.251 477 N C 0.720 176.214 175.510 -0.028 0.000 1.199 477 N CA -0.177 52.867 53.050 -0.009 0.000 0.879 477 N CB 0.226 38.703 38.487 -0.017 0.000 1.159 477 N HN 0.010 nan 8.380 nan 0.000 0.514 478 A N 0.243 123.047 122.820 -0.026 0.000 1.940 478 A HA -0.094 4.225 4.320 -0.002 0.000 0.219 478 A C 2.014 179.606 177.584 0.014 0.000 1.176 478 A CA 0.995 52.992 52.037 -0.067 0.000 0.631 478 A CB -0.452 18.521 19.000 -0.045 0.000 0.814 478 A HN 0.420 nan 8.150 nan 0.000 0.446 479 I N -0.654 119.953 120.570 0.063 0.000 2.315 479 I HA -0.170 3.999 4.170 -0.002 0.000 0.248 479 I C 2.356 178.511 176.117 0.062 0.000 1.117 479 I CA 1.119 62.482 61.300 0.106 0.000 1.404 479 I CB -0.288 37.766 38.000 0.091 0.000 1.071 479 I HN 0.294 nan 8.210 nan 0.000 0.419 480 E N 0.805 121.002 120.200 -0.005 0.000 2.076 480 E HA -0.056 4.293 4.350 -0.002 0.000 0.190 480 E C 2.272 178.777 176.600 -0.158 0.000 0.979 480 E CA 0.992 57.360 56.400 -0.054 0.000 0.807 480 E CB -0.118 29.562 29.700 -0.033 0.000 0.761 480 E HN 0.508 nan 8.360 nan 0.000 0.454 481 I N 0.971 121.448 120.570 -0.154 0.000 2.286 481 I HA -0.206 3.963 4.170 -0.002 0.000 0.248 481 I C 2.102 177.837 176.117 -0.637 0.000 1.115 481 I CA 0.868 62.042 61.300 -0.209 0.000 1.392 481 I CB -0.220 37.744 38.000 -0.060 0.000 1.065 481 I HN -0.073 nan 8.210 nan 0.000 0.418 482 S N 0.251 115.569 115.700 -0.637 0.000 2.461 482 S HA -0.107 4.362 4.470 -0.002 0.000 0.228 482 S C 1.942 175.762 174.600 -1.301 0.000 1.005 482 S CA 0.608 58.081 58.200 -1.211 0.000 0.942 482 S CB -0.203 62.877 63.200 -0.200 0.000 0.776 482 S HN 0.286 nan 8.310 nan 0.000 0.514 483 R N 2.253 122.321 120.500 -0.720 0.000 2.119 483 R HA -0.094 4.245 4.340 -0.002 0.000 0.246 483 R C 2.175 178.081 176.300 -0.656 0.000 1.146 483 R CA 2.012 57.726 56.100 -0.643 0.000 0.962 483 R CB -0.887 29.240 30.300 -0.289 0.000 0.863 483 R HN 0.274 nan 8.270 nan 0.000 0.442 484 S N -0.282 115.052 115.700 -0.610 0.000 2.368 484 S HA -0.210 4.259 4.470 -0.002 0.000 0.226 484 S C 1.533 175.973 174.600 -0.267 0.000 1.044 484 S CA 1.809 59.809 58.200 -0.333 0.000 1.062 484 S CB -0.545 62.582 63.200 -0.121 0.000 0.931 484 S HN 0.769 nan 8.310 nan 0.000 0.440 485 W N 1.308 122.455 121.300 -0.256 0.000 2.942 485 W HA 0.512 5.170 4.660 -0.003 0.000 0.263 485 W C 1.966 178.159 176.519 -0.543 0.000 1.296 485 W CA 0.089 57.154 57.345 -0.466 0.000 1.504 485 W CB -1.022 28.226 29.460 -0.354 0.000 1.096 485 W HN 0.149 nan 8.180 nan 0.000 0.639 486 G N 1.440 109.843 108.800 -0.663 0.000 2.414 486 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.215 486 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.215 486 G C 1.414 176.078 174.900 -0.393 0.000 1.188 486 G CA 1.116 45.876 45.100 -0.567 0.000 0.783 486 G HN 0.394 nan 8.290 nan 0.000 0.537 487 E N 0.247 120.157 120.200 -0.484 0.000 2.268 487 E HA -0.060 4.289 4.350 -0.002 0.000 0.195 487 E C 2.594 179.131 176.600 -0.104 0.000 0.995 487 E CA 0.718 57.008 56.400 -0.184 0.000 0.836 487 E CB -0.009 29.594 29.700 -0.161 0.000 0.763 487 E HN 0.400 nan 8.360 nan 0.000 0.491 488 S N -0.339 115.240 115.700 -0.202 0.000 2.368 488 S HA -0.140 4.329 4.470 -0.002 0.000 0.224 488 S C 1.680 176.234 174.600 -0.077 0.000 1.029 488 S CA 0.967 59.066 58.200 -0.168 0.000 0.988 488 S CB -0.052 62.972 63.200 -0.293 0.000 0.838 488 S HN 0.260 nan 8.310 nan 0.000 0.462 489 Y N -0.103 120.108 120.300 -0.148 0.000 2.269 489 Y HA 0.255 4.804 4.550 -0.001 0.000 0.294 489 Y C 1.519 177.077 175.900 -0.568 0.000 1.120 489 Y CA 0.416 58.244 58.100 -0.453 0.000 1.159 489 Y CB -0.451 37.371 38.460 -1.063 0.000 1.024 489 Y HN 0.341 nan 8.280 nan 0.000 0.532 490 F N -2.559 117.546 119.950 0.258 0.000 2.767 490 F HA 0.324 4.850 4.527 -0.002 0.000 0.323 490 F C 1.046 176.900 175.800 0.090 0.000 1.091 490 F CA -0.662 57.433 58.000 0.159 0.000 1.192 490 F CB -0.245 38.940 39.000 0.309 0.000 1.056 490 F HN -0.187 nan 8.300 nan 0.000 0.571 491 L N -0.550 120.783 121.223 0.184 0.000 5.891 491 L HA -0.507 3.832 4.340 -0.002 0.000 0.053 491 L C 1.914 178.906 176.870 0.203 0.000 2.528 491 L CA 1.501 56.418 54.840 0.129 0.000 1.612 491 L CB -1.514 40.580 42.059 0.058 0.000 2.817 491 L HN 0.057 nan 8.230 nan 0.000 0.990 492 S N -0.241 115.559 115.700 0.166 0.000 2.453 492 S HA -0.043 4.426 4.470 -0.002 0.000 0.231 492 S C 1.155 175.891 174.600 0.228 0.000 1.005 492 S CA 1.212 59.514 58.200 0.169 0.000 0.949 492 S CB -0.377 62.891 63.200 0.113 0.000 0.774 492 S HN 0.469 nan 8.310 nan 0.000 0.510 493 N N 0.762 119.647 118.700 0.308 0.000 2.512 493 N HA -0.017 4.722 4.740 -0.002 0.000 0.183 493 N C 1.083 176.856 175.510 0.437 0.000 1.073 493 N CA 0.356 53.659 53.050 0.422 0.000 0.911 493 N CB -0.397 38.414 38.487 0.541 0.000 0.964 493 N HN 0.475 nan 8.380 nan 0.000 0.447 494 Y N 1.820 122.287 120.300 0.279 0.000 2.274 494 Y HA -0.177 4.373 4.550 -0.001 0.000 0.290 494 Y C 1.876 177.887 175.900 0.185 0.000 1.145 494 Y CA 1.445 59.695 58.100 0.249 0.000 1.203 494 Y CB 0.012 38.618 38.460 0.243 0.000 0.984 494 Y HN -0.051 nan 8.280 nan 0.000 0.533 495 E N 0.049 120.317 120.200 0.112 0.000 2.031 495 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 495 E C 2.379 178.971 176.600 -0.013 0.000 0.994 495 E CA 1.482 57.877 56.400 -0.008 0.000 0.800 495 E CB -0.356 29.368 29.700 0.039 0.000 0.752 495 E HN 0.371 nan 8.360 nan 0.000 0.447 496 R N 0.138 120.661 120.500 0.039 0.000 2.148 496 R HA -0.040 4.299 4.340 -0.002 0.000 0.227 496 R C 2.096 178.499 176.300 0.172 0.000 1.103 496 R CA 0.716 56.811 56.100 -0.009 0.000 0.983 496 R CB -0.187 29.922 30.300 -0.318 0.000 0.874 496 R HN 0.204 nan 8.270 nan 0.000 0.451 497 L N 0.309 121.693 121.223 0.267 0.000 2.201 497 L HA -0.145 4.194 4.340 -0.002 0.000 0.212 497 L C 2.133 179.142 176.870 0.231 0.000 1.105 497 L CA 1.020 56.020 54.840 0.267 0.000 0.775 497 L CB -0.153 41.999 42.059 0.155 0.000 0.913 497 L HN 0.265 nan 8.230 nan 0.000 0.440 498 I N -0.952 119.630 120.570 0.020 0.000 2.500 498 I HA -0.175 3.994 4.170 -0.002 0.000 0.252 498 I C 2.565 178.716 176.117 0.058 0.000 1.142 498 I CA 0.706 62.000 61.300 -0.011 0.000 1.451 498 I CB -0.236 37.667 38.000 -0.162 0.000 1.093 498 I HN 0.197 nan 8.210 nan 0.000 0.430 499 R N 1.160 121.688 120.500 0.047 0.000 2.075 499 R HA -0.056 4.283 4.340 -0.002 0.000 0.232 499 R C 2.464 178.818 176.300 0.091 0.000 1.126 499 R CA 1.450 57.579 56.100 0.047 0.000 0.963 499 R CB -0.466 29.839 30.300 0.009 0.000 0.858 499 R HN 0.304 nan 8.270 nan 0.000 0.435 500 A N 1.780 124.677 122.820 0.128 0.000 1.930 500 A HA -0.201 4.118 4.320 -0.002 0.000 0.217 500 A C 2.101 179.855 177.584 0.282 0.000 1.175 500 A CA 1.559 53.682 52.037 0.144 0.000 0.627 500 A CB -0.254 18.782 19.000 0.061 0.000 0.815 500 A HN 0.112 nan 8.150 nan 0.000 0.443 501 K N -0.040 120.620 120.400 0.432 0.000 2.057 501 K HA -0.086 4.233 4.320 -0.002 0.000 0.207 501 K C 1.775 178.496 176.600 0.202 0.000 1.049 501 K CA 2.377 58.911 56.287 0.412 0.000 0.931 501 K CB -0.929 31.714 32.500 0.239 0.000 0.714 501 K HN 0.364 nan 8.250 nan 0.000 0.440 502 T N 1.179 115.817 114.554 0.140 0.000 2.867 502 T HA -0.013 4.336 4.350 -0.002 0.000 0.268 502 T C 1.690 176.443 174.700 0.089 0.000 1.057 502 T CA 1.239 63.392 62.100 0.089 0.000 1.136 502 T CB -0.117 68.788 68.868 0.063 0.000 0.874 502 T HN 0.104 nan 8.240 nan 0.000 0.466 503 L N -0.248 121.037 121.223 0.103 0.000 2.072 503 L HA 0.076 4.415 4.340 -0.002 0.000 0.205 503 L C 2.269 179.200 176.870 0.102 0.000 1.079 503 L CA 0.910 55.803 54.840 0.088 0.000 0.752 503 L CB -0.229 41.877 42.059 0.079 0.000 0.906 503 L HN 0.207 nan 8.230 nan 0.000 0.436 504 I N -1.276 119.380 120.570 0.145 0.000 3.645 504 I HA 0.033 4.202 4.170 -0.002 0.000 0.300 504 I C 0.098 176.316 176.117 0.168 0.000 1.260 504 I CA 0.784 62.178 61.300 0.157 0.000 1.365 504 I CB 0.325 38.442 38.000 0.194 0.000 1.077 504 I HN 0.076 nan 8.210 nan 0.000 0.439 505 D N -0.288 120.205 120.400 0.156 0.000 3.118 505 D HA 0.198 4.837 4.640 -0.002 0.000 0.286 505 D C -2.014 174.320 176.300 0.056 0.000 1.255 505 D CA -1.222 52.854 54.000 0.127 0.000 0.748 505 D CB 0.756 41.663 40.800 0.180 0.000 1.332 505 D HN 0.022 nan 8.370 nan 0.000 0.575 506 P HA -0.084 nan 4.420 nan 0.000 0.218 506 P C 0.846 178.140 177.300 -0.010 0.000 1.149 506 P CA 0.663 63.777 63.100 0.023 0.000 0.817 506 P CB 0.407 32.125 31.700 0.030 0.000 0.785 507 N N -0.195 118.493 118.700 -0.020 0.000 2.571 507 N HA -0.090 4.649 4.740 -0.002 0.000 0.189 507 N C 0.523 175.965 175.510 -0.113 0.000 1.154 507 N CA 0.449 53.468 53.050 -0.052 0.000 0.907 507 N CB -1.213 37.245 38.487 -0.049 0.000 0.977 507 N HN 0.088 nan 8.380 nan 0.000 0.449 508 N N -0.081 118.536 118.700 -0.139 0.000 2.735 508 N HA -0.158 4.581 4.740 -0.002 0.000 0.248 508 N C 0.599 175.927 175.510 -0.302 0.000 1.083 508 N CA 0.316 53.200 53.050 -0.277 0.000 0.703 508 N CB -1.273 36.951 38.487 -0.439 0.000 1.005 508 N HN -0.040 nan 8.380 nan 0.000 0.550 509 V N -1.019 118.751 119.914 -0.240 0.000 2.343 509 V HA -0.115 4.004 4.120 -0.002 0.000 0.247 509 V C 1.069 176.877 176.094 -0.476 0.000 1.051 509 V CA 1.693 63.770 62.300 -0.372 0.000 1.036 509 V CB -0.468 31.066 31.823 -0.482 0.000 0.654 509 V HN 0.351 nan 8.190 nan 0.000 0.451 510 F N 2.053 121.914 119.950 -0.148 0.000 2.368 510 F HA 0.438 4.964 4.527 -0.002 0.000 0.362 510 F C 0.362 176.020 175.800 -0.237 0.000 1.137 510 F CA -0.676 57.240 58.000 -0.139 0.000 1.161 510 F CB -0.150 38.790 39.000 -0.100 0.000 1.265 510 F HN 0.351 nan 8.300 nan 0.000 0.530 511 N N 1.089 119.733 118.700 -0.094 0.000 2.647 511 N HA 0.818 5.557 4.740 -0.002 0.000 0.266 511 N C -1.322 174.209 175.510 0.035 0.000 1.373 511 N CA -1.014 51.887 53.050 -0.248 0.000 0.807 511 N CB 2.199 40.206 38.487 -0.800 0.000 1.513 511 N HN 0.529 nan 8.380 nan 0.000 0.505 512 H N -5.589 113.527 119.070 0.076 0.000 2.904 512 H HA 0.394 4.949 4.556 -0.002 0.000 0.290 512 H C -2.802 172.691 175.328 0.275 0.000 1.437 512 H CA -1.430 54.690 56.048 0.119 0.000 1.147 512 H CB 0.431 30.191 29.762 -0.003 0.000 1.824 512 H HN 0.256 nan 8.280 nan 0.000 0.505 513 P HA -0.173 nan 4.420 nan 0.000 0.217 513 P C 0.221 177.475 177.300 -0.077 0.000 1.148 513 P CA 1.772 64.891 63.100 0.033 0.000 0.834 513 P CB 0.199 31.875 31.700 -0.040 0.000 0.783 514 Q N -1.137 118.620 119.800 -0.072 0.000 2.155 514 Q HA 0.165 4.504 4.340 -0.002 0.000 0.273 514 Q C -0.083 175.946 176.000 0.047 0.000 0.857 514 Q CA -0.245 55.544 55.803 -0.023 0.000 1.116 514 Q CB 0.501 29.145 28.738 -0.157 0.000 1.209 514 Q HN 0.197 nan 8.270 nan 0.000 0.460 515 S N -0.454 114.968 115.700 -0.462 0.000 2.592 515 S HA 0.323 4.791 4.470 -0.002 0.000 0.271 515 S C 0.486 175.189 174.600 0.172 0.000 1.326 515 S CA -0.715 57.275 58.200 -0.350 0.000 1.024 515 S CB 0.968 63.858 63.200 -0.516 0.000 0.921 515 S HN 0.158 nan 8.310 nan 0.000 0.527 516 I N 2.881 123.486 120.570 0.059 0.000 2.587 516 I HA 0.205 4.374 4.170 -0.002 0.000 0.284 516 I C -2.162 174.028 176.117 0.122 0.000 1.134 516 I CA -2.124 59.257 61.300 0.135 0.000 1.410 516 I CB -0.593 37.381 38.000 -0.044 0.000 1.392 516 I HN 0.471 nan 8.210 nan 0.000 0.545 517 P HA 0.173 nan 4.420 nan 0.000 0.271 517 P C -2.391 174.996 177.300 0.145 0.000 1.216 517 P CA -0.970 62.351 63.100 0.369 0.000 0.771 517 P CB 0.065 32.018 31.700 0.422 0.000 0.864 518 P HA 0.202 nan 4.420 nan 0.000 0.281 518 P C -0.311 177.035 177.300 0.075 0.000 1.249 518 P CA -0.257 62.877 63.100 0.057 0.000 0.810 518 P CB 0.688 32.397 31.700 0.015 0.000 1.008 519 M N 1.357 120.990 119.600 0.054 0.000 2.246 519 M HA 0.265 4.744 4.480 -0.002 0.000 0.350 519 M C 0.777 177.107 176.300 0.051 0.000 1.406 519 M CA 0.263 55.592 55.300 0.049 0.000 1.089 519 M CB 0.264 32.884 32.600 0.034 0.000 1.782 519 M HN 0.402 nan 8.290 nan 0.000 0.457 520 A N 0.000 122.854 122.820 0.057 0.000 2.254 520 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 520 A CA 0.000 52.069 52.037 0.053 0.000 0.836 520 A CB 0.000 19.041 19.000 0.068 0.000 0.831 520 A HN 0.000 nan 8.150 nan 0.000 0.486