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 2qyv_1_B DATA FIRST_RESID 7 DATA SEQUENCE LQPKLLWQWF DQICAIPHPS YKEEQLAQFI INWAKTKGFF AERDEVGNVL DATA SEQUENCE IRKPATVGXE NRKPVVLQAH LDXVPQXXXX XXXXXXQDPI LPYIDGDWVK DATA SEQUENCE AKGTTLGADN GIGXASALAV LESNDIAHPE LEVLLTXTEE RGXEGAIGLR DATA SEQUENCE PNWLRSEILI NTDTEENGEI YIGCAGGENA DLELPIEYQV NNFEHCYQVV DATA SEQUENCE LKGLRGGHSG VDIHTGRANA IKVLLRFLAE LQQNQPHFDF TLANIRGGSI DATA SEQUENCE RNAIPRESVA TLVFNGDITV LQSAVQKFAD VIKAELALTE PNLIFTLEKV DATA SEQUENCE EKPQQVFSSQ CTKNIIHCLN VLPNGVVRNS DVIENVVETS LSIGVLKTED DATA SEQUENCE NFVRSTXLVR SLIESGKSYV ASLLKSLASL AQGNINLSGD YPGWEPQSHS DATA SEQUENCE DILDLTKTIY AQVLGTDPEI KVIHAGLECG LLKKIYPTID XVSIGPTIRN DATA SEQUENCE AHSPDEKVHI PAVETYWKVL TGILAHIPSR 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 7 L HA 0.000 nan 4.340 nan 0.000 0.249 7 L C 0.000 176.766 176.870 -0.174 0.000 1.165 7 L CA 0.000 54.660 54.840 -0.299 0.000 0.813 7 L CB 0.000 41.666 42.059 -0.655 0.000 0.961 8 Q N 4.934 124.672 119.800 -0.104 0.000 2.230 8 Q HA 0.813 5.153 4.340 -0.000 0.000 0.248 8 Q C -2.617 173.490 176.000 0.179 0.000 0.915 8 Q CA -1.440 54.380 55.803 0.028 0.000 0.900 8 Q CB 0.576 29.309 28.738 -0.008 0.000 1.229 8 Q HN 0.542 nan 8.270 nan 0.000 0.439 9 P HA 0.218 nan 4.420 nan 0.000 0.282 9 P C 0.640 177.905 177.300 -0.058 0.000 1.274 9 P CA 0.396 63.395 63.100 -0.168 0.000 0.770 9 P CB 0.821 32.056 31.700 -0.775 0.000 0.867 10 K N 4.241 124.625 120.400 -0.027 0.000 2.015 10 K HA -0.191 4.129 4.320 -0.000 0.000 0.220 10 K C 2.039 178.644 176.600 0.008 0.000 1.055 10 K CA 2.222 58.523 56.287 0.022 0.000 0.951 10 K CB -1.862 30.643 32.500 0.007 0.000 0.725 10 K HN 0.494 nan 8.250 nan 0.000 0.449 11 L N -0.192 120.996 121.223 -0.057 0.000 2.042 11 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 11 L C 2.880 179.761 176.870 0.017 0.000 1.076 11 L CA 1.650 56.490 54.840 0.000 0.000 0.749 11 L CB -0.498 41.596 42.059 0.060 0.000 0.893 11 L HN 0.490 nan 8.230 nan 0.000 0.432 12 L N -1.158 119.933 121.223 -0.220 0.000 2.017 12 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 12 L C 2.350 179.134 176.870 -0.143 0.000 1.073 12 L CA 1.819 56.496 54.840 -0.272 0.000 0.745 12 L CB -0.257 41.418 42.059 -0.640 0.000 0.894 12 L HN 0.214 nan 8.230 nan 0.000 0.432 13 W N -0.180 121.100 121.300 -0.033 0.000 2.453 13 W HA -0.096 4.564 4.660 -0.000 0.000 0.289 13 W C 2.680 179.241 176.519 0.069 0.000 1.215 13 W CA 0.560 57.930 57.345 0.041 0.000 1.297 13 W CB -0.085 29.361 29.460 -0.023 0.000 1.113 13 W HN 0.180 nan 8.180 nan 0.000 0.551 14 Q N -1.274 118.648 119.800 0.203 0.000 2.124 14 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 14 Q C 1.863 177.847 176.000 -0.027 0.000 0.977 14 Q CA 1.737 57.566 55.803 0.043 0.000 0.850 14 Q CB -0.617 28.085 28.738 -0.059 0.000 0.901 14 Q HN 0.432 nan 8.270 nan 0.000 0.429 15 W N -0.419 120.866 121.300 -0.026 0.000 2.381 15 W HA -0.186 4.474 4.660 -0.000 0.000 0.301 15 W C 1.956 178.448 176.519 -0.046 0.000 1.205 15 W CA 0.505 57.795 57.345 -0.091 0.000 1.285 15 W CB -0.172 29.201 29.460 -0.144 0.000 1.133 15 W HN 0.126 nan 8.180 nan 0.000 0.521 16 F N 1.430 121.460 119.950 0.133 0.000 2.102 16 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 16 F C 2.109 177.959 175.800 0.084 0.000 1.105 16 F CA 2.218 60.250 58.000 0.055 0.000 1.239 16 F CB -0.938 38.048 39.000 -0.024 0.000 0.991 16 F HN -0.238 nan 8.300 nan 0.000 0.474 17 D N -0.110 120.357 120.400 0.112 0.000 2.133 17 D HA -0.258 4.382 4.640 -0.000 0.000 0.195 17 D C 2.157 178.378 176.300 -0.131 0.000 0.997 17 D CA 1.480 55.466 54.000 -0.023 0.000 0.840 17 D CB -0.300 40.529 40.800 0.048 0.000 0.947 17 D HN 0.348 nan 8.370 nan 0.000 0.452 18 Q N 0.060 119.786 119.800 -0.124 0.000 2.079 18 Q HA -0.028 4.312 4.340 -0.000 0.000 0.200 18 Q C 2.223 178.087 176.000 -0.227 0.000 0.974 18 Q CA 1.189 56.864 55.803 -0.213 0.000 0.840 18 Q CB -0.448 28.111 28.738 -0.299 0.000 0.898 18 Q HN 0.428 nan 8.270 nan 0.000 0.430 19 I N -0.518 119.956 120.570 -0.159 0.000 2.208 19 I HA -0.370 3.800 4.170 -0.000 0.000 0.245 19 I C 2.179 178.124 176.117 -0.286 0.000 1.097 19 I CA 0.951 62.088 61.300 -0.273 0.000 1.363 19 I CB -0.265 37.582 38.000 -0.255 0.000 1.051 19 I HN 0.321 nan 8.210 nan 0.000 0.413 20 C N 0.506 119.610 119.300 -0.326 0.000 2.425 20 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 20 C C 3.158 178.086 174.990 -0.104 0.000 1.280 20 C CA 0.851 59.743 59.018 -0.210 0.000 1.744 20 C CB -1.284 26.259 27.740 -0.328 0.000 1.989 20 C HN 0.604 nan 8.230 nan 0.000 0.491 21 A N 0.105 122.839 122.820 -0.144 0.000 1.933 21 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 21 A C 0.986 178.508 177.584 -0.102 0.000 1.175 21 A CA 1.007 52.972 52.037 -0.120 0.000 0.628 21 A CB -0.517 18.390 19.000 -0.155 0.000 0.814 21 A HN 0.631 nan 8.150 nan 0.000 0.444 22 I N 2.246 122.741 120.570 -0.125 0.000 2.322 22 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 22 I C -2.226 173.937 176.117 0.076 0.000 1.060 22 I CA -2.181 59.073 61.300 -0.077 0.000 1.309 22 I CB 1.072 38.972 38.000 -0.166 0.000 1.415 22 I HN 0.095 nan 8.210 nan 0.000 0.492 23 P HA -0.042 nan 4.420 nan 0.000 0.263 23 P C -0.405 176.965 177.300 0.117 0.000 1.195 23 P CA 0.489 63.620 63.100 0.053 0.000 0.762 23 P CB 0.265 31.973 31.700 0.014 0.000 0.799 24 H N 2.026 121.080 119.070 -0.027 0.000 2.924 24 H HA 0.319 4.875 4.556 -0.000 0.000 0.229 24 H C -2.630 172.693 175.328 -0.008 0.000 1.345 24 H CA -1.913 54.126 56.048 -0.016 0.000 1.044 24 H CB -0.268 29.477 29.762 -0.029 0.000 2.221 24 H HN 0.201 nan 8.280 nan 0.000 0.574 25 P HA -0.006 nan 4.420 nan 0.000 0.274 25 P C 1.066 178.346 177.300 -0.033 0.000 1.260 25 P CA -0.253 62.792 63.100 -0.092 0.000 0.793 25 P CB 1.208 32.881 31.700 -0.045 0.000 1.048 26 S N -1.098 114.568 115.700 -0.056 0.000 2.723 26 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 26 S C 0.099 174.482 174.600 -0.361 0.000 0.967 26 S CA 0.449 58.546 58.200 -0.172 0.000 0.958 26 S CB -1.132 61.955 63.200 -0.189 0.000 0.778 26 S HN 0.397 nan 8.310 nan 0.000 0.537 27 Y N -0.864 119.446 120.300 0.017 0.000 2.791 27 Y HA 0.314 4.864 4.550 -0.000 0.000 0.263 27 Y C 0.981 176.898 175.900 0.028 0.000 1.089 27 Y CA -0.193 57.920 58.100 0.022 0.000 1.253 27 Y CB 0.310 38.780 38.460 0.016 0.000 1.360 27 Y HN 0.139 nan 8.280 nan 0.000 0.569 28 K N 0.610 121.089 120.400 0.131 0.000 3.174 28 K HA 0.451 4.771 4.320 -0.000 0.000 0.207 28 K C 0.373 177.029 176.600 0.093 0.000 1.190 28 K CA -0.106 56.242 56.287 0.102 0.000 1.054 28 K CB -0.674 31.873 32.500 0.079 0.000 1.154 28 K HN 0.405 nan 8.250 nan 0.000 0.495 29 E N -0.231 120.023 120.200 0.090 0.000 2.489 29 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 29 E C 1.428 178.079 176.600 0.086 0.000 1.057 29 E CA 0.332 56.785 56.400 0.089 0.000 0.866 29 E CB 0.463 30.201 29.700 0.064 0.000 0.916 29 E HN 0.664 nan 8.360 nan 0.000 0.500 30 E N 1.499 121.750 120.200 0.085 0.000 2.028 30 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 30 E C 1.981 178.636 176.600 0.093 0.000 0.988 30 E CA 1.355 57.804 56.400 0.083 0.000 0.799 30 E CB 0.012 29.757 29.700 0.076 0.000 0.755 30 E HN 0.234 nan 8.360 nan 0.000 0.447 31 Q N -0.493 119.362 119.800 0.091 0.000 2.061 31 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 31 Q C 2.184 178.261 176.000 0.128 0.000 0.984 31 Q CA 1.644 57.508 55.803 0.102 0.000 0.846 31 Q CB -0.215 28.568 28.738 0.075 0.000 0.902 31 Q HN 0.345 nan 8.270 nan 0.000 0.421 32 L N 0.419 121.696 121.223 0.090 0.000 2.027 32 L HA -0.077 4.263 4.340 -0.000 0.000 0.206 32 L C 2.223 179.174 176.870 0.135 0.000 1.074 32 L CA 2.163 57.045 54.840 0.071 0.000 0.745 32 L CB -0.909 41.131 42.059 -0.031 0.000 0.898 32 L HN 0.236 nan 8.230 nan 0.000 0.433 33 A N -1.149 121.733 122.820 0.104 0.000 1.908 33 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 33 A C 2.155 179.819 177.584 0.132 0.000 1.181 33 A CA 1.791 53.889 52.037 0.101 0.000 0.627 33 A CB -0.532 18.518 19.000 0.083 0.000 0.818 33 A HN 0.608 nan 8.150 nan 0.000 0.445 34 Q N -1.719 118.168 119.800 0.145 0.000 2.083 34 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 34 Q C 1.934 178.047 176.000 0.188 0.000 0.969 34 Q CA 1.236 57.123 55.803 0.141 0.000 0.838 34 Q CB -0.557 28.253 28.738 0.120 0.000 0.900 34 Q HN 0.740 nan 8.270 nan 0.000 0.436 35 F N 1.430 121.441 119.950 0.101 0.000 2.095 35 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 35 F C 2.068 178.006 175.800 0.229 0.000 1.104 35 F CA 1.209 59.293 58.000 0.140 0.000 1.232 35 F CB -0.140 38.929 39.000 0.114 0.000 0.987 35 F HN -0.049 nan 8.300 nan 0.000 0.475 36 I N -0.180 120.630 120.570 0.400 0.000 2.252 36 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 36 I C 2.321 178.616 176.117 0.296 0.000 1.102 36 I CA 0.706 62.216 61.300 0.350 0.000 1.385 36 I CB -0.439 37.665 38.000 0.173 0.000 1.064 36 I HN 0.151 nan 8.210 nan 0.000 0.414 37 I N 0.990 121.669 120.570 0.183 0.000 2.179 37 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 37 I C 2.249 178.424 176.117 0.097 0.000 1.088 37 I CA 1.661 63.035 61.300 0.122 0.000 1.357 37 I CB -1.331 36.711 38.000 0.070 0.000 1.051 37 I HN 0.360 nan 8.210 nan 0.000 0.409 38 N N 0.036 118.773 118.700 0.062 0.000 2.120 38 N HA -0.250 4.490 4.740 -0.000 0.000 0.188 38 N C 1.696 177.206 175.510 -0.000 0.000 1.024 38 N CA 1.435 54.482 53.050 -0.004 0.000 0.852 38 N CB -0.628 37.828 38.487 -0.053 0.000 1.003 38 N HN 0.519 nan 8.380 nan 0.000 0.424 39 W N 2.158 123.363 121.300 -0.158 0.000 2.355 39 W HA -0.098 4.562 4.660 -0.000 0.000 0.309 39 W C 2.397 178.935 176.519 0.031 0.000 1.206 39 W CA 2.285 59.574 57.345 -0.094 0.000 1.284 39 W CB -0.425 29.028 29.460 -0.011 0.000 1.145 39 W HN 0.084 nan 8.180 nan 0.000 0.502 40 A N 0.727 123.668 122.820 0.202 0.000 1.892 40 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 40 A C 1.954 179.437 177.584 -0.168 0.000 1.188 40 A CA 2.295 54.380 52.037 0.079 0.000 0.631 40 A CB -0.843 18.356 19.000 0.331 0.000 0.822 40 A HN 0.419 nan 8.150 nan 0.000 0.447 41 K N -0.746 119.588 120.400 -0.111 0.000 2.097 41 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 41 K C 2.167 178.624 176.600 -0.238 0.000 1.050 41 K CA 1.675 57.877 56.287 -0.142 0.000 0.938 41 K CB -0.366 32.083 32.500 -0.085 0.000 0.718 41 K HN 0.750 nan 8.250 nan 0.000 0.442 42 T N -0.566 113.815 114.554 -0.288 0.000 3.007 42 T HA -0.034 4.316 4.350 -0.000 0.000 0.270 42 T C 1.473 175.912 174.700 -0.436 0.000 1.107 42 T CA 0.782 62.697 62.100 -0.309 0.000 1.118 42 T CB 0.061 68.768 68.868 -0.268 0.000 0.889 42 T HN -0.033 nan 8.240 nan 0.000 0.506 43 K N 0.755 120.745 120.400 -0.683 0.000 2.404 43 K HA 0.293 4.613 4.320 -0.000 0.000 0.194 43 K C 1.653 177.740 176.600 -0.855 0.000 1.023 43 K CA 0.617 56.357 56.287 -0.911 0.000 1.094 43 K CB 0.057 31.621 32.500 -1.561 0.000 0.841 43 K HN 0.584 nan 8.250 nan 0.000 0.523 44 G N 1.829 110.298 108.800 -0.552 0.000 2.136 44 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.242 44 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.242 44 G C -0.218 174.578 174.900 -0.174 0.000 0.989 44 G CA -0.314 44.601 45.100 -0.308 0.000 0.682 44 G HN 0.131 nan 8.290 nan 0.000 0.522 45 F N 0.429 120.334 119.950 -0.075 0.000 2.412 45 F HA 0.582 5.109 4.527 -0.000 0.000 0.348 45 F C 0.944 176.774 175.800 0.049 0.000 1.102 45 F CA -2.119 55.880 58.000 -0.002 0.000 1.196 45 F CB 0.235 39.222 39.000 -0.022 0.000 1.144 45 F HN 0.146 nan 8.300 nan 0.000 0.541 46 F N 3.142 123.190 119.950 0.163 0.000 2.623 46 F HA 0.333 4.860 4.527 -0.000 0.000 0.386 46 F C -0.086 175.770 175.800 0.092 0.000 1.068 46 F CA -0.396 57.658 58.000 0.091 0.000 1.265 46 F CB -0.090 38.940 39.000 0.050 0.000 1.026 46 F HN 0.518 nan 8.300 nan 0.000 0.568 47 A N 6.331 128.794 122.820 -0.595 0.000 2.437 47 A HA 0.617 4.936 4.320 -0.000 0.000 0.293 47 A C -1.026 176.236 177.584 -0.537 0.000 1.038 47 A CA -0.631 51.163 52.037 -0.404 0.000 0.708 47 A CB 1.142 20.087 19.000 -0.092 0.000 1.251 47 A HN 0.807 nan 8.150 nan 0.000 0.409 48 E N 0.754 120.745 120.200 -0.348 0.000 2.408 48 E HA 0.574 4.924 4.350 -0.000 0.000 0.275 48 E C -1.119 175.599 176.600 0.198 0.000 0.935 48 E CA -0.803 55.552 56.400 -0.076 0.000 0.775 48 E CB 2.524 32.285 29.700 0.101 0.000 1.277 48 E HN 0.676 nan 8.360 nan 0.000 0.455 49 R N 1.368 121.988 120.500 0.200 0.000 2.686 49 R HA 0.237 4.577 4.340 -0.000 0.000 0.286 49 R C -0.880 175.455 176.300 0.057 0.000 0.969 49 R CA -0.879 55.344 56.100 0.204 0.000 0.898 49 R CB 1.339 31.700 30.300 0.101 0.000 1.183 49 R HN 0.565 nan 8.270 nan 0.000 0.456 50 D N 1.083 121.437 120.400 -0.076 0.000 2.433 50 D HA 0.029 4.668 4.640 -0.000 0.000 0.255 50 D C 0.450 176.648 176.300 -0.170 0.000 1.226 50 D CA -0.481 53.284 54.000 -0.392 0.000 1.015 50 D CB 0.632 41.004 40.800 -0.713 0.000 1.091 50 D HN 0.375 nan 8.370 nan 0.000 0.527 51 E N -0.327 119.763 120.200 -0.183 0.000 2.086 51 E HA -0.155 4.195 4.350 -0.000 0.000 0.200 51 E C 1.835 178.406 176.600 -0.048 0.000 1.012 51 E CA 1.217 57.559 56.400 -0.096 0.000 0.812 51 E CB -0.516 29.127 29.700 -0.094 0.000 0.743 51 E HN 0.309 nan 8.360 nan 0.000 0.453 52 V N -0.842 119.046 119.914 -0.043 0.000 2.970 52 V HA -0.001 4.119 4.120 -0.000 0.000 0.260 52 V C 1.489 177.597 176.094 0.024 0.000 1.100 52 V CA 1.421 63.721 62.300 -0.000 0.000 1.122 52 V CB -0.272 31.557 31.823 0.009 0.000 0.721 52 V HN 0.600 nan 8.190 nan 0.000 0.483 53 G N 0.186 109.000 108.800 0.024 0.000 2.148 53 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.203 53 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.203 53 G C -0.070 174.885 174.900 0.093 0.000 0.993 53 G CA -0.122 45.010 45.100 0.054 0.000 0.661 53 G HN 0.453 nan 8.290 nan 0.000 0.518 54 N N 0.523 119.302 118.700 0.132 0.000 2.497 54 N HA 0.316 5.056 4.740 -0.000 0.000 0.268 54 N C 0.503 176.176 175.510 0.272 0.000 1.171 54 N CA 0.129 53.298 53.050 0.197 0.000 0.948 54 N CB 1.829 40.480 38.487 0.274 0.000 1.069 54 N HN 0.112 nan 8.380 nan 0.000 0.460 55 V N 3.277 123.292 119.914 0.168 0.000 2.488 55 V HA 0.163 4.283 4.120 -0.000 0.000 0.277 55 V C 0.228 176.368 176.094 0.078 0.000 1.046 55 V CA -0.481 61.900 62.300 0.135 0.000 0.986 55 V CB 0.955 32.818 31.823 0.066 0.000 0.989 55 V HN 0.400 nan 8.190 nan 0.000 0.475 56 L N 7.542 128.802 121.223 0.063 0.000 2.376 56 L HA 0.660 5.000 4.340 -0.000 0.000 0.275 56 L C -0.592 176.292 176.870 0.022 0.000 0.987 56 L CA 0.190 54.964 54.840 -0.111 0.000 0.828 56 L CB 1.310 43.054 42.059 -0.525 0.000 1.249 56 L HN 0.524 nan 8.230 nan 0.000 0.409 57 I N 4.482 125.056 120.570 0.005 0.000 2.562 57 I HA 0.571 4.741 4.170 -0.000 0.000 0.301 57 I C -0.117 176.027 176.117 0.045 0.000 1.003 57 I CA -0.791 60.558 61.300 0.081 0.000 1.127 57 I CB 1.851 39.865 38.000 0.024 0.000 1.304 57 I HN 0.528 nan 8.210 nan 0.000 0.446 58 R N 3.623 124.212 120.500 0.149 0.000 2.750 58 R HA 0.630 4.970 4.340 -0.000 0.000 0.281 58 R C -1.081 175.152 176.300 -0.110 0.000 0.972 58 R CA -1.037 55.036 56.100 -0.044 0.000 0.912 58 R CB 2.796 33.027 30.300 -0.115 0.000 1.187 58 R HN 0.486 nan 8.270 nan 0.000 0.464 59 K N 2.673 122.960 120.400 -0.189 0.000 2.501 59 K HA 0.455 4.774 4.320 -0.000 0.000 0.252 59 K C -2.763 173.837 176.600 -0.001 0.000 0.934 59 K CA -1.947 54.260 56.287 -0.134 0.000 0.797 59 K CB 2.257 34.503 32.500 -0.423 0.000 1.270 59 K HN 0.224 nan 8.250 nan 0.000 0.431 60 P HA 0.114 nan 4.420 nan 0.000 0.274 60 P C -0.924 176.429 177.300 0.089 0.000 1.246 60 P CA -0.445 62.689 63.100 0.057 0.000 0.795 60 P CB 0.586 32.316 31.700 0.050 0.000 1.006 61 A N 1.140 123.980 122.820 0.034 0.000 2.520 61 A HA 0.336 4.656 4.320 -0.000 0.000 0.235 61 A C 0.739 178.262 177.584 -0.102 0.000 1.065 61 A CA 0.311 52.342 52.037 -0.010 0.000 0.764 61 A CB -0.999 17.983 19.000 -0.031 0.000 1.002 61 A HN 0.659 nan 8.150 nan 0.000 0.502 62 T N -0.306 114.087 114.554 -0.267 0.000 2.828 62 T HA 0.421 4.771 4.350 -0.000 0.000 0.290 62 T C 0.253 174.866 174.700 -0.145 0.000 1.019 62 T CA -0.714 61.231 62.100 -0.258 0.000 1.031 62 T CB 0.438 69.069 68.868 -0.394 0.000 1.001 62 T HN 0.643 nan 8.240 nan 0.000 0.531 63 V N 2.663 122.513 119.914 -0.107 0.000 2.557 63 V HA 0.465 4.585 4.120 -0.000 0.000 0.301 63 V C 1.412 177.458 176.094 -0.079 0.000 1.026 63 V CA 1.190 63.446 62.300 -0.074 0.000 1.137 63 V CB -0.845 30.945 31.823 -0.055 0.000 0.917 63 V HN 1.513 nan 8.190 nan 0.000 0.484 67 N N 1.369 120.052 118.700 -0.029 0.000 2.295 67 N HA 0.164 4.904 4.740 -0.000 0.000 0.221 67 N C -0.481 175.016 175.510 -0.022 0.000 1.129 67 N CA 0.204 53.241 53.050 -0.023 0.000 0.836 67 N CB 0.351 38.827 38.487 -0.019 0.000 1.040 67 N HN 0.086 nan 8.380 nan 0.000 0.494 68 R N 0.451 120.935 120.500 -0.027 0.000 2.732 68 R HA 0.356 4.696 4.340 -0.000 0.000 0.278 68 R C 0.013 176.297 176.300 -0.026 0.000 0.976 68 R CA -0.736 55.348 56.100 -0.026 0.000 0.963 68 R CB 1.956 32.236 30.300 -0.033 0.000 1.150 68 R HN -0.065 nan 8.270 nan 0.000 0.478 69 K N 3.114 123.500 120.400 -0.023 0.000 2.451 69 K HA 0.083 4.403 4.320 -0.000 0.000 0.280 69 K C -2.080 174.497 176.600 -0.040 0.000 1.020 69 K CA -1.146 55.125 56.287 -0.027 0.000 1.008 69 K CB 0.145 32.634 32.500 -0.019 0.000 0.917 69 K HN 0.268 nan 8.250 nan 0.000 0.478 70 P HA 0.017 nan 4.420 nan 0.000 0.269 70 P C -0.656 176.591 177.300 -0.089 0.000 1.209 70 P CA -0.160 62.897 63.100 -0.072 0.000 0.776 70 P CB 0.769 32.418 31.700 -0.085 0.000 0.876 71 V N 3.420 123.267 119.914 -0.110 0.000 2.638 71 V HA 0.289 4.409 4.120 -0.000 0.000 0.306 71 V C -0.054 175.940 176.094 -0.167 0.000 1.052 71 V CA -0.883 61.342 62.300 -0.126 0.000 0.885 71 V CB 2.504 34.259 31.823 -0.114 0.000 0.999 71 V HN 0.383 nan 8.190 nan 0.000 0.424 72 V N 6.785 126.595 119.914 -0.174 0.000 2.398 72 V HA 0.585 4.705 4.120 -0.000 0.000 0.286 72 V C -0.496 175.497 176.094 -0.170 0.000 1.026 72 V CA -0.375 61.806 62.300 -0.198 0.000 0.868 72 V CB 1.507 33.189 31.823 -0.236 0.000 0.982 72 V HN 0.737 nan 8.190 nan 0.000 0.443 73 L N 6.825 127.944 121.223 -0.173 0.000 2.275 73 L HA 0.582 4.922 4.340 -0.000 0.000 0.288 73 L C -0.068 176.718 176.870 -0.140 0.000 1.046 73 L CA -0.156 54.597 54.840 -0.144 0.000 0.805 73 L CB 1.310 43.279 42.059 -0.150 0.000 1.193 73 L HN 0.605 nan 8.230 nan 0.000 0.426 74 Q N 3.196 122.926 119.800 -0.116 0.000 2.333 74 Q HA 0.795 5.135 4.340 -0.000 0.000 0.267 74 Q C -1.623 174.325 176.000 -0.086 0.000 1.012 74 Q CA -0.472 55.266 55.803 -0.108 0.000 0.824 74 Q CB 2.490 31.160 28.738 -0.113 0.000 1.290 74 Q HN 0.772 nan 8.270 nan 0.000 0.449 75 A N 2.797 125.566 122.820 -0.085 0.000 2.587 75 A HA 0.612 4.932 4.320 -0.000 0.000 0.293 75 A C -1.629 175.924 177.584 -0.052 0.000 1.087 75 A CA -0.764 51.215 52.037 -0.097 0.000 0.692 75 A CB 0.885 19.794 19.000 -0.150 0.000 1.291 75 A HN 0.975 nan 8.150 nan 0.000 0.407 76 H N -0.155 118.876 119.070 -0.063 0.000 2.467 76 H HA 0.657 5.213 4.556 -0.000 0.000 0.331 76 H C 0.243 175.548 175.328 -0.039 0.000 1.120 76 H CA -0.762 55.255 56.048 -0.053 0.000 1.270 76 H CB 0.603 30.330 29.762 -0.057 0.000 1.466 76 H HN 0.396 nan 8.280 nan 0.000 0.504 77 L N 0.559 121.828 121.223 0.077 0.000 2.093 77 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 77 L C 1.055 178.003 176.870 0.130 0.000 1.085 77 L CA 1.269 56.130 54.840 0.035 0.000 0.755 77 L CB -0.325 41.759 42.059 0.042 0.000 0.904 77 L HN 0.835 nan 8.230 nan 0.000 0.435 81 P HA 0.122 nan 4.420 nan 0.000 0.235 81 P C 0.515 177.819 177.300 0.006 0.000 1.177 81 P CA 1.025 64.113 63.100 -0.020 0.000 0.785 81 P CB 0.367 32.064 31.700 -0.004 0.000 0.885 94 D N 0.862 121.261 120.400 -0.002 0.000 2.269 94 D HA 0.732 5.372 4.640 -0.000 0.000 0.244 94 D C -2.463 173.830 176.300 -0.011 0.000 0.992 94 D CA -1.023 52.975 54.000 -0.003 0.000 0.894 94 D CB 0.900 41.700 40.800 -0.000 0.000 1.248 94 D HN 0.248 nan 8.370 nan 0.000 0.468 95 P HA 0.354 nan 4.420 nan 0.000 0.273 95 P C -0.404 176.884 177.300 -0.020 0.000 1.250 95 P CA -0.493 62.597 63.100 -0.017 0.000 0.793 95 P CB 0.606 32.295 31.700 -0.019 0.000 1.011 96 I N -0.162 120.391 120.570 -0.028 0.000 2.385 96 I HA 0.383 4.553 4.170 -0.000 0.000 0.294 96 I C 0.230 176.342 176.117 -0.009 0.000 0.988 96 I CA -0.782 60.504 61.300 -0.024 0.000 1.265 96 I CB 1.072 39.044 38.000 -0.047 0.000 1.388 96 I HN 0.129 nan 8.210 nan 0.000 0.480 97 L N 7.903 129.140 121.223 0.024 0.000 2.337 97 L HA 0.665 5.004 4.340 -0.000 0.000 0.269 97 L C -2.616 174.323 176.870 0.115 0.000 1.018 97 L CA -1.614 53.260 54.840 0.056 0.000 0.876 97 L CB 0.435 42.531 42.059 0.061 0.000 1.236 97 L HN 0.350 nan 8.230 nan 0.000 0.436 98 P HA 0.794 nan 4.420 nan 0.000 0.283 98 P C -1.562 175.860 177.300 0.203 0.000 1.278 98 P CA -0.559 62.605 63.100 0.108 0.000 0.834 98 P CB 1.711 33.457 31.700 0.077 0.000 1.150 99 Y N -3.158 117.185 120.300 0.072 0.000 2.624 99 Y HA 0.666 5.216 4.550 -0.000 0.000 0.334 99 Y C -0.787 175.140 175.900 0.045 0.000 1.155 99 Y CA -1.705 56.420 58.100 0.042 0.000 1.046 99 Y CB 0.061 38.539 38.460 0.030 0.000 1.316 99 Y HN 0.338 nan 8.280 nan 0.000 0.457 100 I N 1.813 122.462 120.570 0.132 0.000 2.337 100 I HA 0.358 4.528 4.170 -0.000 0.000 0.291 100 I C 0.356 176.581 176.117 0.180 0.000 1.046 100 I CA 0.299 61.624 61.300 0.042 0.000 1.324 100 I CB 0.230 38.209 38.000 -0.034 0.000 1.409 100 I HN 0.924 nan 8.210 nan 0.000 0.494 101 D N 3.925 124.416 120.400 0.153 0.000 2.191 101 D HA 0.286 4.926 4.640 -0.000 0.000 0.221 101 D C 1.597 178.002 176.300 0.175 0.000 1.006 101 D CA 2.393 56.535 54.000 0.237 0.000 0.910 101 D CB 0.245 41.179 40.800 0.224 0.000 1.031 101 D HN 0.596 nan 8.370 nan 0.000 0.447 102 G N -1.368 107.552 108.800 0.199 0.000 2.449 102 G HA2 0.106 4.066 3.960 -0.000 0.000 0.192 102 G HA3 0.106 4.066 3.960 -0.000 0.000 0.192 102 G C 0.075 175.029 174.900 0.090 0.000 1.776 102 G CA 0.066 45.259 45.100 0.155 0.000 0.699 102 G HN 0.167 nan 8.290 nan 0.000 0.745 103 D N 0.226 120.707 120.400 0.134 0.000 2.427 103 D HA 0.291 4.931 4.640 -0.000 0.000 0.224 103 D C -0.932 175.126 176.300 -0.404 0.000 1.157 103 D CA -0.272 53.619 54.000 -0.181 0.000 0.828 103 D CB 0.333 40.966 40.800 -0.278 0.000 0.974 103 D HN 0.227 nan 8.370 nan 0.000 0.498 104 W N -0.518 120.766 121.300 -0.027 0.000 2.975 104 W HA 0.606 5.266 4.660 -0.000 0.000 0.342 104 W C -0.668 175.813 176.519 -0.064 0.000 1.168 104 W CA -0.902 56.444 57.345 0.002 0.000 1.141 104 W CB 1.198 30.689 29.460 0.051 0.000 1.445 104 W HN -0.467 nan 8.180 nan 0.000 0.560 105 V N 1.485 121.520 119.914 0.202 0.000 2.709 105 V HA 0.953 5.073 4.120 -0.000 0.000 0.308 105 V C -0.348 175.748 176.094 0.002 0.000 1.062 105 V CA -1.064 61.257 62.300 0.035 0.000 0.901 105 V CB 0.899 32.785 31.823 0.105 0.000 1.003 105 V HN 0.538 nan 8.190 nan 0.000 0.425 106 K N 1.763 121.993 120.400 -0.283 0.000 2.536 106 K HA 0.963 5.283 4.320 -0.000 0.000 0.269 106 K C -0.526 175.896 176.600 -0.298 0.000 0.965 106 K CA -0.166 55.971 56.287 -0.249 0.000 0.860 106 K CB 1.816 34.170 32.500 -0.243 0.000 1.423 106 K HN 1.564 nan 8.250 nan 0.000 0.438 107 A N 0.671 123.467 122.820 -0.040 0.000 2.327 107 A HA 0.646 4.965 4.320 -0.000 0.000 0.283 107 A C 0.690 178.382 177.584 0.180 0.000 1.127 107 A CA 0.179 52.253 52.037 0.062 0.000 0.810 107 A CB -0.111 18.925 19.000 0.060 0.000 1.066 107 A HN 1.755 nan 8.150 nan 0.000 0.492 108 K N 1.425 121.980 120.400 0.259 0.000 2.165 108 K HA 0.458 4.778 4.320 -0.000 0.000 0.270 108 K C 1.141 177.820 176.600 0.132 0.000 1.091 108 K CA 0.440 56.878 56.287 0.253 0.000 1.019 108 K CB -1.146 31.453 32.500 0.164 0.000 1.101 108 K HN 2.577 nan 8.250 nan 0.000 0.397 109 G N 0.677 109.552 108.800 0.125 0.000 2.198 109 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.257 109 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.257 109 G C 0.316 175.250 174.900 0.057 0.000 1.042 109 G CA 0.896 46.041 45.100 0.075 0.000 0.791 109 G HN 1.604 nan 8.290 nan 0.000 0.502 110 T N -1.416 113.174 114.554 0.061 0.000 2.700 110 T HA 0.629 4.979 4.350 -0.000 0.000 0.307 110 T C 0.363 175.088 174.700 0.042 0.000 1.580 110 T CA 0.743 62.868 62.100 0.042 0.000 0.992 110 T CB 0.675 69.559 68.868 0.028 0.000 1.577 110 T HN 1.233 nan 8.240 nan 0.000 0.496 111 T N 2.244 116.815 114.554 0.028 0.000 2.888 111 T HA 0.285 4.635 4.350 -0.000 0.000 0.301 111 T C 1.377 176.095 174.700 0.030 0.000 1.001 111 T CA -0.387 61.730 62.100 0.029 0.000 1.147 111 T CB 0.718 69.592 68.868 0.009 0.000 0.931 111 T HN 0.486 nan 8.240 nan 0.000 0.541 112 L N 3.318 124.580 121.223 0.066 0.000 2.044 112 L HA 0.314 4.654 4.340 -0.000 0.000 0.205 112 L C 2.079 179.027 176.870 0.131 0.000 1.075 112 L CA 2.437 57.343 54.840 0.111 0.000 0.747 112 L CB -1.056 41.109 42.059 0.176 0.000 0.903 112 L HN 1.225 nan 8.230 nan 0.000 0.435 113 G N -2.575 106.311 108.800 0.143 0.000 2.144 113 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 113 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 113 G C 1.098 176.202 174.900 0.340 0.000 0.988 113 G CA 0.556 45.763 45.100 0.179 0.000 0.659 113 G HN 0.806 nan 8.290 nan 0.000 0.522 114 A N -0.142 122.866 122.820 0.313 0.000 1.940 114 A HA 0.173 4.493 4.320 -0.000 0.000 0.219 114 A C 1.304 178.884 177.584 -0.007 0.000 1.176 114 A CA 1.995 54.090 52.037 0.096 0.000 0.631 114 A CB -0.134 18.865 19.000 -0.002 0.000 0.814 114 A HN 0.694 nan 8.150 nan 0.000 0.446 115 D N -0.134 120.280 120.400 0.024 0.000 2.380 115 D HA 0.114 4.754 4.640 -0.000 0.000 0.230 115 D C -0.165 176.105 176.300 -0.050 0.000 1.154 115 D CA -0.258 53.730 54.000 -0.020 0.000 0.859 115 D CB -0.212 40.605 40.800 0.028 0.000 1.045 115 D HN 0.375 nan 8.370 nan 0.000 0.495 116 N N 2.484 121.014 118.700 -0.284 0.000 2.458 116 N HA 0.155 4.895 4.740 -0.000 0.000 0.274 116 N C 1.193 176.566 175.510 -0.227 0.000 1.242 116 N CA -0.351 52.476 53.050 -0.372 0.000 0.904 116 N CB 0.261 38.227 38.487 -0.869 0.000 1.206 116 N HN 0.473 nan 8.380 nan 0.000 0.510 117 G N 0.649 109.432 108.800 -0.028 0.000 2.448 117 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 117 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 117 G C 1.395 176.328 174.900 0.055 0.000 1.135 117 G CA 0.283 45.459 45.100 0.126 0.000 0.784 117 G HN 0.293 nan 8.290 nan 0.000 0.543 118 I N 1.836 122.272 120.570 -0.224 0.000 2.286 118 I HA 0.027 4.197 4.170 -0.000 0.000 0.245 118 I C 2.271 178.215 176.117 -0.288 0.000 1.104 118 I CA 0.553 61.573 61.300 -0.466 0.000 1.397 118 I CB -1.459 36.145 38.000 -0.659 0.000 1.072 118 I HN 0.115 nan 8.210 nan 0.000 0.417 122 S N 1.101 116.772 115.700 -0.048 0.000 2.402 122 S HA 0.156 4.626 4.470 -0.000 0.000 0.229 122 S C 1.968 176.633 174.600 0.108 0.000 1.021 122 S CA 1.685 59.984 58.200 0.164 0.000 0.974 122 S CB -0.456 62.968 63.200 0.373 0.000 0.800 122 S HN 1.547 nan 8.310 nan 0.000 0.484 123 A N 1.853 124.637 122.820 -0.059 0.000 1.930 123 A HA 0.224 4.544 4.320 -0.000 0.000 0.217 123 A C 2.285 179.758 177.584 -0.185 0.000 1.175 123 A CA 1.267 53.226 52.037 -0.131 0.000 0.627 123 A CB -0.734 18.164 19.000 -0.170 0.000 0.815 123 A HN 0.548 nan 8.150 nan 0.000 0.443 124 L N -0.922 120.083 121.223 -0.363 0.000 2.179 124 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 124 L C 3.017 179.807 176.870 -0.132 0.000 1.096 124 L CA 0.752 55.264 54.840 -0.546 0.000 0.779 124 L CB -0.512 40.537 42.059 -1.684 0.000 0.922 124 L HN 0.389 nan 8.230 nan 0.000 0.443 125 A N 0.102 122.930 122.820 0.012 0.000 1.883 125 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 125 A C 2.365 180.177 177.584 0.379 0.000 1.186 125 A CA 2.028 54.241 52.037 0.294 0.000 0.624 125 A CB -0.901 18.205 19.000 0.176 0.000 0.822 125 A HN 0.173 nan 8.150 nan 0.000 0.444 126 V N 0.064 120.160 119.914 0.303 0.000 2.287 126 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 126 V C 2.580 178.761 176.094 0.145 0.000 1.053 126 V CA 2.022 64.428 62.300 0.177 0.000 1.027 126 V CB -0.822 30.965 31.823 -0.061 0.000 0.646 126 V HN 0.576 nan 8.190 nan 0.000 0.447 127 L N -0.216 121.061 121.223 0.089 0.000 2.012 127 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 127 L C 2.647 179.793 176.870 0.460 0.000 1.073 127 L CA 2.197 57.085 54.840 0.081 0.000 0.748 127 L CB -0.555 41.537 42.059 0.055 0.000 0.891 127 L HN 0.443 nan 8.230 nan 0.000 0.431 128 E N 0.154 120.760 120.200 0.676 0.000 2.153 128 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 128 E C 1.110 177.986 176.600 0.459 0.000 0.988 128 E CA 0.663 57.512 56.400 0.747 0.000 0.811 128 E CB 0.160 30.343 29.700 0.805 0.000 0.746 128 E HN 0.501 nan 8.360 nan 0.000 0.466 129 S N 0.759 116.688 115.700 0.381 0.000 2.593 129 S HA 0.032 4.502 4.470 -0.000 0.000 0.269 129 S C 0.468 175.211 174.600 0.240 0.000 1.334 129 S CA -0.139 58.236 58.200 0.291 0.000 1.015 129 S CB 0.990 64.368 63.200 0.297 0.000 0.912 129 S HN 0.370 nan 8.310 nan 0.000 0.541 130 N N -0.590 118.212 118.700 0.171 0.000 2.160 130 N HA 0.097 4.837 4.740 -0.000 0.000 0.226 130 N C -0.605 174.946 175.510 0.068 0.000 1.256 130 N CA -0.039 53.079 53.050 0.114 0.000 0.890 130 N CB 0.127 38.669 38.487 0.093 0.000 1.116 130 N HN 0.736 nan 8.380 nan 0.000 0.517 131 D N -0.231 120.217 120.400 0.081 0.000 2.620 131 D HA 0.185 4.825 4.640 -0.000 0.000 0.260 131 D C -0.551 175.773 176.300 0.041 0.000 1.367 131 D CA -0.319 53.711 54.000 0.049 0.000 0.805 131 D CB 0.172 41.010 40.800 0.062 0.000 1.096 131 D HN 0.016 nan 8.370 nan 0.000 0.488 132 I N 1.636 122.232 120.570 0.044 0.000 2.382 132 I HA 0.534 4.704 4.170 -0.000 0.000 0.286 132 I C 0.386 176.456 176.117 -0.077 0.000 1.002 132 I CA -1.707 59.600 61.300 0.011 0.000 1.135 132 I CB 0.815 38.858 38.000 0.073 0.000 1.288 132 I HN 0.049 nan 8.210 nan 0.000 0.448 133 A N 7.123 129.867 122.820 -0.127 0.000 2.492 133 A HA 0.435 4.755 4.320 -0.000 0.000 0.254 133 A C -0.219 177.277 177.584 -0.147 0.000 1.091 133 A CA 0.398 52.318 52.037 -0.195 0.000 0.768 133 A CB -0.564 18.324 19.000 -0.187 0.000 1.028 133 A HN 0.914 nan 8.150 nan 0.000 0.498 134 H N 0.674 119.677 119.070 -0.111 0.000 3.046 134 H HA 0.748 5.304 4.556 -0.000 0.000 0.361 134 H C -3.336 171.932 175.328 -0.100 0.000 1.235 134 H CA -2.107 53.870 56.048 -0.119 0.000 1.146 134 H CB 0.818 30.506 29.762 -0.124 0.000 1.859 134 H HN 0.359 nan 8.280 nan 0.000 0.548 135 P HA 0.075 nan 4.420 nan 0.000 0.289 135 P C -0.288 177.081 177.300 0.114 0.000 1.299 135 P CA -0.581 62.546 63.100 0.045 0.000 0.766 135 P CB 0.638 32.333 31.700 -0.009 0.000 1.226 136 E N -0.323 119.892 120.200 0.025 0.000 2.652 136 E HA -0.009 4.341 4.350 -0.000 0.000 0.255 136 E C -1.066 175.499 176.600 -0.059 0.000 0.952 136 E CA -0.011 56.385 56.400 -0.008 0.000 0.947 136 E CB -0.127 29.546 29.700 -0.045 0.000 0.912 136 E HN 0.150 nan 8.360 nan 0.000 0.489 137 L N 4.833 125.991 121.223 -0.107 0.000 2.341 137 L HA 0.381 4.721 4.340 -0.000 0.000 0.278 137 L C -0.868 175.860 176.870 -0.236 0.000 1.005 137 L CA -0.267 54.439 54.840 -0.222 0.000 0.818 137 L CB 1.859 43.663 42.059 -0.423 0.000 1.259 137 L HN 0.571 nan 8.230 nan 0.000 0.418 138 E N 2.784 122.841 120.200 -0.238 0.000 2.207 138 E HA 0.648 4.998 4.350 -0.000 0.000 0.270 138 E C -1.445 175.013 176.600 -0.238 0.000 0.927 138 E CA -0.838 55.416 56.400 -0.243 0.000 0.799 138 E CB 2.481 32.018 29.700 -0.273 0.000 1.172 138 E HN 0.372 nan 8.360 nan 0.000 0.404 139 V N 3.480 123.265 119.914 -0.215 0.000 2.409 139 V HA 0.229 4.349 4.120 -0.000 0.000 0.290 139 V C -1.105 174.886 176.094 -0.172 0.000 1.017 139 V CA -0.714 61.471 62.300 -0.192 0.000 0.841 139 V CB 1.344 33.057 31.823 -0.185 0.000 1.003 139 V HN 0.436 nan 8.190 nan 0.000 0.426 140 L N 7.323 128.443 121.223 -0.172 0.000 2.262 140 L HA 0.606 4.946 4.340 -0.000 0.000 0.288 140 L C -0.747 176.070 176.870 -0.089 0.000 1.035 140 L CA 0.161 54.915 54.840 -0.144 0.000 0.820 140 L CB 0.964 42.922 42.059 -0.167 0.000 1.204 140 L HN 0.529 nan 8.230 nan 0.000 0.424 141 L N 5.621 126.814 121.223 -0.051 0.000 2.294 141 L HA 0.497 4.837 4.340 -0.000 0.000 0.283 141 L C 0.540 177.422 176.870 0.021 0.000 1.015 141 L CA -0.566 54.254 54.840 -0.034 0.000 0.831 141 L CB 1.403 43.429 42.059 -0.055 0.000 1.217 141 L HN 0.694 nan 8.230 nan 0.000 0.420 145 E N 1.920 121.974 120.200 -0.243 0.000 2.118 145 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 145 E C 1.514 177.906 176.600 -0.348 0.000 0.992 145 E CA 1.485 57.674 56.400 -0.351 0.000 0.804 145 E CB 0.245 29.550 29.700 -0.658 0.000 0.741 145 E HN 0.505 nan 8.360 nan 0.000 0.458 146 E N -0.321 119.680 120.200 -0.330 0.000 2.489 146 E HA 0.032 4.382 4.350 -0.000 0.000 0.193 146 E C -0.119 176.412 176.600 -0.115 0.000 1.057 146 E CA 0.182 56.450 56.400 -0.220 0.000 0.866 146 E CB 0.302 29.880 29.700 -0.204 0.000 0.916 146 E HN -0.070 nan 8.360 nan 0.000 0.500 147 R N -0.035 120.379 120.500 -0.144 0.000 2.653 147 R HA 0.398 4.738 4.340 -0.000 0.000 0.269 147 R C -0.153 176.133 176.300 -0.022 0.000 1.603 147 R CA 0.287 56.355 56.100 -0.053 0.000 1.671 147 R CB 0.522 30.775 30.300 -0.079 0.000 1.300 147 R HN 0.220 nan 8.270 nan 0.000 0.668 151 G N 2.113 110.908 108.800 -0.007 0.000 2.545 151 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 151 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 151 G C 1.622 176.542 174.900 0.034 0.000 1.218 151 G CA 1.952 47.065 45.100 0.021 0.000 0.787 151 G HN 0.330 nan 8.290 nan 0.000 0.571 152 A N -0.060 122.763 122.820 0.006 0.000 1.908 152 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 152 A C 2.663 180.267 177.584 0.034 0.000 1.181 152 A CA 2.122 54.168 52.037 0.015 0.000 0.627 152 A CB -0.652 18.326 19.000 -0.037 0.000 0.818 152 A HN 0.351 nan 8.150 nan 0.000 0.445 153 I N -0.703 119.879 120.570 0.020 0.000 2.179 153 I HA -0.104 4.066 4.170 -0.000 0.000 0.242 153 I C 2.277 178.414 176.117 0.033 0.000 1.088 153 I CA 1.214 62.532 61.300 0.030 0.000 1.357 153 I CB -1.506 36.511 38.000 0.029 0.000 1.051 153 I HN 0.573 nan 8.210 nan 0.000 0.409 154 G N 0.178 108.998 108.800 0.033 0.000 3.702 154 G HA2 0.369 4.329 3.960 -0.000 0.000 0.288 154 G HA3 0.369 4.329 3.960 -0.000 0.000 0.288 154 G C 0.047 174.970 174.900 0.038 0.000 1.193 154 G CA -0.279 44.836 45.100 0.024 0.000 0.952 154 G HN 0.334 nan 8.290 nan 0.000 0.544 155 L N 0.886 122.161 121.223 0.086 0.000 2.410 155 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 155 L C 0.987 177.945 176.870 0.146 0.000 1.152 155 L CA -0.751 54.193 54.840 0.174 0.000 0.855 155 L CB 0.459 42.680 42.059 0.271 0.000 1.129 155 L HN 0.198 nan 8.230 nan 0.000 0.463 156 R N 7.084 127.644 120.500 0.099 0.000 2.484 156 R HA 0.172 4.512 4.340 -0.000 0.000 0.293 156 R C -2.246 174.186 176.300 0.221 0.000 1.023 156 R CA -1.088 55.016 56.100 0.006 0.000 1.037 156 R CB 0.266 30.333 30.300 -0.389 0.000 0.951 156 R HN 0.534 nan 8.270 nan 0.000 0.418 157 P HA 0.093 nan 4.420 nan 0.000 0.276 157 P C -1.080 176.270 177.300 0.083 0.000 1.261 157 P CA -0.301 62.723 63.100 -0.127 0.000 0.800 157 P CB 0.327 31.892 31.700 -0.225 0.000 1.066 158 N N -2.435 116.306 118.700 0.068 0.000 2.710 158 N HA -0.228 4.511 4.740 -0.000 0.000 0.249 158 N C -0.223 175.497 175.510 0.351 0.000 1.059 158 N CA 0.690 53.861 53.050 0.203 0.000 0.720 158 N CB -1.436 37.108 38.487 0.096 0.000 0.983 158 N HN 0.577 nan 8.380 nan 0.000 0.544 159 W N 0.392 121.847 121.300 0.260 0.000 3.517 159 W HA 0.395 5.055 4.660 -0.000 0.000 0.234 159 W C -0.007 176.570 176.519 0.096 0.000 0.972 159 W CA 0.096 57.546 57.345 0.174 0.000 2.002 159 W CB -0.072 29.506 29.460 0.197 0.000 1.018 159 W HN -0.027 nan 8.180 nan 0.000 0.712 160 L N 3.562 124.801 121.223 0.026 0.000 2.462 160 L HA 0.078 4.418 4.340 -0.000 0.000 0.272 160 L C 1.523 178.301 176.870 -0.153 0.000 1.166 160 L CA 0.069 54.723 54.840 -0.311 0.000 0.880 160 L CB 0.646 42.333 42.059 -0.619 0.000 1.142 160 L HN 0.071 nan 8.230 nan 0.000 0.473 161 R N 0.469 120.854 120.500 -0.191 0.000 2.300 161 R HA 0.136 4.476 4.340 -0.000 0.000 0.199 161 R C 0.541 176.770 176.300 -0.119 0.000 0.920 161 R CA -0.125 55.904 56.100 -0.118 0.000 1.046 161 R CB -0.354 29.868 30.300 -0.130 0.000 0.984 161 R HN 0.386 nan 8.270 nan 0.000 0.493 162 S N 1.510 117.106 115.700 -0.174 0.000 2.562 162 S HA 0.047 4.517 4.470 -0.000 0.000 0.281 162 S C 0.493 175.030 174.600 -0.104 0.000 1.333 162 S CA -0.367 57.743 58.200 -0.150 0.000 1.052 162 S CB 1.069 64.154 63.200 -0.192 0.000 0.884 162 S HN 0.382 nan 8.310 nan 0.000 0.506 163 E N 0.836 120.994 120.200 -0.069 0.000 2.452 163 E HA 0.212 4.562 4.350 -0.000 0.000 0.197 163 E C -0.297 176.285 176.600 -0.030 0.000 1.022 163 E CA 0.484 56.865 56.400 -0.032 0.000 0.890 163 E CB 0.302 29.992 29.700 -0.016 0.000 0.918 163 E HN 0.491 nan 8.360 nan 0.000 0.496 164 I N 1.360 121.896 120.570 -0.057 0.000 2.582 164 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 164 I C -1.142 174.926 176.117 -0.082 0.000 1.066 164 I CA -0.877 60.394 61.300 -0.048 0.000 1.053 164 I CB 2.466 40.442 38.000 -0.041 0.000 1.241 164 I HN -0.077 nan 8.210 nan 0.000 0.421 165 L N 7.045 128.227 121.223 -0.068 0.000 2.362 165 L HA 0.644 4.984 4.340 -0.000 0.000 0.275 165 L C -1.340 175.491 176.870 -0.064 0.000 0.998 165 L CA -0.346 54.436 54.840 -0.098 0.000 0.820 165 L CB 1.574 43.557 42.059 -0.127 0.000 1.270 165 L HN 0.513 nan 8.230 nan 0.000 0.415 166 I N 5.442 125.967 120.570 -0.075 0.000 2.371 166 I HA 0.256 4.426 4.170 -0.000 0.000 0.282 166 I C -0.194 175.895 176.117 -0.046 0.000 1.031 166 I CA -0.381 60.894 61.300 -0.042 0.000 1.180 166 I CB 1.019 38.988 38.000 -0.053 0.000 1.336 166 I HN 0.630 nan 8.210 nan 0.000 0.467 167 N N 4.439 123.113 118.700 -0.042 0.000 2.497 167 N HA 0.060 4.800 4.740 -0.000 0.000 0.271 167 N C 0.501 176.015 175.510 0.008 0.000 1.142 167 N CA 0.202 53.222 53.050 -0.050 0.000 0.965 167 N CB 1.321 39.741 38.487 -0.112 0.000 1.077 167 N HN 0.609 nan 8.380 nan 0.000 0.462 168 T N -0.523 114.027 114.554 -0.006 0.000 3.248 168 T HA 0.130 4.480 4.350 -0.000 0.000 0.271 168 T C 0.302 174.964 174.700 -0.063 0.000 1.005 168 T CA -0.481 61.618 62.100 -0.003 0.000 0.902 168 T CB 0.083 68.957 68.868 0.010 0.000 1.102 168 T HN 0.360 nan 8.240 nan 0.000 0.548 169 D N 1.110 121.506 120.400 -0.007 0.000 2.398 169 D HA 0.170 4.810 4.640 -0.000 0.000 0.210 169 D C 0.323 176.665 176.300 0.070 0.000 1.094 169 D CA 0.063 54.077 54.000 0.023 0.000 0.839 169 D CB 0.356 41.208 40.800 0.086 0.000 0.963 169 D HN 0.295 nan 8.370 nan 0.000 0.506 170 T N 0.395 114.990 114.554 0.067 0.000 2.898 170 T HA 0.176 4.526 4.350 -0.000 0.000 0.301 170 T C 0.571 175.260 174.700 -0.020 0.000 1.049 170 T CA 0.074 62.221 62.100 0.077 0.000 1.095 170 T CB 0.993 69.812 68.868 -0.080 0.000 0.976 170 T HN 0.032 nan 8.240 nan 0.000 0.539 171 E N 1.461 121.676 120.200 0.024 0.000 3.306 171 E HA 0.174 4.524 4.350 -0.000 0.000 0.197 171 E C -0.667 175.942 176.600 0.016 0.000 0.980 171 E CA -0.259 56.147 56.400 0.010 0.000 1.259 171 E CB 0.681 30.417 29.700 0.059 0.000 1.112 171 E HN 0.359 nan 8.360 nan 0.000 0.458 172 E N 1.345 121.519 120.200 -0.043 0.000 2.334 172 E HA 0.153 4.503 4.350 -0.000 0.000 0.280 172 E C -1.082 175.484 176.600 -0.057 0.000 0.899 172 E CA -0.645 55.736 56.400 -0.032 0.000 0.813 172 E CB 1.486 31.180 29.700 -0.010 0.000 1.318 172 E HN 0.081 nan 8.360 nan 0.000 0.399 173 N N 0.424 119.122 118.700 -0.003 0.000 2.407 173 N HA 0.120 4.860 4.740 -0.000 0.000 0.250 173 N C 1.110 176.574 175.510 -0.077 0.000 1.236 173 N CA 2.095 55.171 53.050 0.043 0.000 0.879 173 N CB 0.438 38.974 38.487 0.081 0.000 1.088 173 N HN 0.705 nan 8.380 nan 0.000 0.450 174 G N 1.336 109.996 108.800 -0.235 0.000 2.148 174 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 174 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 174 G C -0.354 174.219 174.900 -0.545 0.000 0.981 174 G CA 0.418 45.166 45.100 -0.587 0.000 0.670 174 G HN 0.649 nan 8.290 nan 0.000 0.528 175 E N -0.759 119.193 120.200 -0.413 0.000 2.248 175 E HA 0.647 4.997 4.350 -0.000 0.000 0.267 175 E C -0.417 176.002 176.600 -0.301 0.000 0.877 175 E CA -0.845 55.361 56.400 -0.323 0.000 0.759 175 E CB 1.813 31.337 29.700 -0.293 0.000 1.182 175 E HN 0.269 nan 8.360 nan 0.000 0.418 176 I N 3.419 123.882 120.570 -0.179 0.000 2.382 176 I HA 0.254 4.424 4.170 -0.000 0.000 0.286 176 I C -1.039 175.105 176.117 0.045 0.000 1.002 176 I CA -0.826 60.451 61.300 -0.039 0.000 1.135 176 I CB 0.502 38.538 38.000 0.061 0.000 1.288 176 I HN 0.374 nan 8.210 nan 0.000 0.448 177 Y N 6.220 126.587 120.300 0.112 0.000 2.304 177 Y HA 0.341 4.890 4.550 -0.000 0.000 0.328 177 Y C 1.064 176.986 175.900 0.038 0.000 1.123 177 Y CA -1.222 56.931 58.100 0.089 0.000 1.218 177 Y CB 1.034 39.599 38.460 0.175 0.000 1.207 177 Y HN 0.503 nan 8.280 nan 0.000 0.495 178 I N -0.488 120.026 120.570 -0.094 0.000 4.050 178 I HA 0.716 4.886 4.170 -0.000 0.000 0.327 178 I C 0.452 175.687 176.117 -1.470 0.000 1.473 178 I CA -0.045 60.895 61.300 -0.601 0.000 1.124 178 I CB 0.556 38.380 38.000 -0.293 0.000 1.129 178 I HN 0.549 nan 8.210 nan 0.000 0.428 179 G N 0.834 108.964 108.800 -1.117 0.000 2.547 179 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 179 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 179 G C -1.397 173.460 174.900 -0.072 0.000 1.471 179 G CA -0.114 44.523 45.100 -0.771 0.000 0.798 179 G HN 0.516 nan 8.290 nan 0.000 0.504 180 C N -1.331 118.041 119.300 0.121 0.000 3.295 180 C HA 0.954 5.414 4.460 -0.000 0.000 0.341 180 C C 0.233 175.296 174.990 0.122 0.000 1.418 180 C CA -0.215 58.891 59.018 0.146 0.000 1.240 180 C CB 1.094 29.000 27.740 0.277 0.000 1.562 180 C HN 2.273 nan 8.230 nan 0.000 0.457 181 A N 0.809 123.661 122.820 0.053 0.000 2.316 181 A HA 0.794 5.114 4.320 -0.000 0.000 0.284 181 A C 0.611 178.243 177.584 0.079 0.000 1.115 181 A CA 0.537 52.563 52.037 -0.017 0.000 0.812 181 A CB 0.038 18.871 19.000 -0.279 0.000 1.064 181 A HN 2.248 nan 8.150 nan 0.000 0.489 182 G N -0.452 108.341 108.800 -0.011 0.000 2.557 182 G HA2 0.603 4.563 3.960 -0.000 0.000 0.292 182 G HA3 0.603 4.563 3.960 -0.000 0.000 0.292 182 G C 0.106 174.668 174.900 -0.565 0.000 1.237 182 G CA -0.079 44.909 45.100 -0.187 0.000 0.978 182 G HN 1.396 nan 8.290 nan 0.000 0.498 183 G N -1.603 106.420 108.800 -1.295 0.000 2.695 183 G HA2 0.618 4.577 3.960 -0.000 0.000 0.290 183 G HA3 0.618 4.577 3.960 -0.000 0.000 0.290 183 G C -1.675 172.831 174.900 -0.656 0.000 1.410 183 G CA -0.418 44.101 45.100 -0.968 0.000 0.844 183 G HN 0.686 nan 8.290 nan 0.000 0.478 184 E N -0.139 119.886 120.200 -0.291 0.000 2.451 184 E HA 0.185 4.535 4.350 -0.000 0.000 0.295 184 E C -1.267 175.297 176.600 -0.061 0.000 0.966 184 E CA -0.791 55.527 56.400 -0.136 0.000 0.808 184 E CB 1.211 30.844 29.700 -0.112 0.000 1.242 184 E HN 0.375 nan 8.360 nan 0.000 0.412 185 N N 1.574 120.266 118.700 -0.014 0.000 2.520 185 N HA 0.460 5.200 4.740 -0.000 0.000 0.273 185 N C -1.007 174.496 175.510 -0.012 0.000 1.155 185 N CA 0.139 53.189 53.050 -0.000 0.000 0.967 185 N CB 1.606 40.105 38.487 0.021 0.000 1.092 185 N HN 0.484 nan 8.380 nan 0.000 0.457 186 A N 1.673 124.484 122.820 -0.015 0.000 2.359 186 A HA 0.491 4.811 4.320 -0.000 0.000 0.303 186 A C -1.243 176.332 177.584 -0.015 0.000 1.066 186 A CA -0.839 51.187 52.037 -0.019 0.000 0.730 186 A CB 1.051 20.035 19.000 -0.026 0.000 1.211 186 A HN 0.511 nan 8.150 nan 0.000 0.439 187 D N 2.052 122.441 120.400 -0.019 0.000 2.391 187 D HA 0.425 5.065 4.640 -0.000 0.000 0.245 187 D C -1.223 175.062 176.300 -0.024 0.000 1.069 187 D CA -0.176 53.812 54.000 -0.020 0.000 0.831 187 D CB 2.365 43.148 40.800 -0.028 0.000 1.204 187 D HN 0.366 nan 8.370 nan 0.000 0.503 188 L N 2.569 123.785 121.223 -0.013 0.000 2.287 188 L HA 0.290 4.630 4.340 -0.000 0.000 0.287 188 L C -0.401 176.470 176.870 0.002 0.000 1.022 188 L CA -0.263 54.573 54.840 -0.006 0.000 0.814 188 L CB 0.984 43.047 42.059 0.007 0.000 1.217 188 L HN 0.136 nan 8.230 nan 0.000 0.420 189 E N 6.502 126.697 120.200 -0.008 0.000 2.166 189 E HA 0.433 4.783 4.350 -0.000 0.000 0.275 189 E C -1.133 175.550 176.600 0.139 0.000 0.941 189 E CA -0.449 55.968 56.400 0.029 0.000 0.784 189 E CB 2.276 31.873 29.700 -0.171 0.000 1.115 189 E HN 0.571 nan 8.360 nan 0.000 0.399 190 L N 4.079 125.419 121.223 0.195 0.000 2.333 190 L HA 0.373 4.713 4.340 -0.000 0.000 0.280 190 L C -2.382 174.556 176.870 0.112 0.000 1.004 190 L CA -2.307 52.615 54.840 0.136 0.000 0.820 190 L CB 1.943 44.033 42.059 0.052 0.000 1.247 190 L HN 0.118 nan 8.230 nan 0.000 0.416 191 P HA 0.126 nan 4.420 nan 0.000 0.266 191 P C -0.750 176.288 177.300 -0.436 0.000 1.195 191 P CA 0.245 63.123 63.100 -0.371 0.000 0.768 191 P CB 0.583 32.112 31.700 -0.285 0.000 0.838 192 I N 2.708 122.907 120.570 -0.620 0.000 2.354 192 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 192 I C 0.347 176.039 176.117 -0.708 0.000 0.989 192 I CA -0.496 60.306 61.300 -0.829 0.000 1.188 192 I CB 1.367 38.704 38.000 -1.106 0.000 1.342 192 I HN 0.225 nan 8.210 nan 0.000 0.457 193 E N 5.517 125.348 120.200 -0.614 0.000 2.171 193 E HA 0.483 4.833 4.350 -0.000 0.000 0.271 193 E C -1.492 174.858 176.600 -0.416 0.000 0.916 193 E CA -0.451 55.723 56.400 -0.377 0.000 0.774 193 E CB 1.502 31.079 29.700 -0.205 0.000 1.128 193 E HN 0.258 nan 8.360 nan 0.000 0.403 194 Y N 0.875 121.124 120.300 -0.085 0.000 2.496 194 Y HA 0.382 4.932 4.550 -0.000 0.000 0.331 194 Y C 0.392 176.302 175.900 0.017 0.000 1.140 194 Y CA -0.861 57.239 58.100 0.000 0.000 1.166 194 Y CB 1.345 39.813 38.460 0.015 0.000 1.249 194 Y HN 0.408 nan 8.280 nan 0.000 0.479 195 Q N -0.788 119.147 119.800 0.226 0.000 2.484 195 Q HA 0.728 5.068 4.340 -0.000 0.000 0.285 195 Q C -1.739 174.349 176.000 0.146 0.000 1.097 195 Q CA -1.239 54.650 55.803 0.143 0.000 0.802 195 Q CB 1.929 30.738 28.738 0.119 0.000 1.444 195 Q HN 0.426 nan 8.270 nan 0.000 0.429 196 V N 2.477 122.445 119.914 0.089 0.000 2.655 196 V HA 0.022 4.142 4.120 -0.000 0.000 0.300 196 V C 0.169 176.318 176.094 0.090 0.000 1.044 196 V CA -0.287 62.055 62.300 0.069 0.000 1.095 196 V CB 0.623 32.463 31.823 0.028 0.000 0.952 196 V HN 0.781 nan 8.190 nan 0.000 0.485 197 N N 4.497 123.258 118.700 0.101 0.000 2.405 197 N HA 0.109 4.849 4.740 -0.000 0.000 0.260 197 N C 0.132 175.689 175.510 0.078 0.000 1.152 197 N CA 0.152 53.291 53.050 0.149 0.000 0.948 197 N CB 0.143 38.711 38.487 0.136 0.000 1.111 197 N HN 0.572 nan 8.380 nan 0.000 0.485 198 N N 3.219 121.932 118.700 0.021 0.000 2.351 198 N HA 0.126 4.866 4.740 -0.000 0.000 0.254 198 N C -1.065 174.321 175.510 -0.206 0.000 1.241 198 N CA -0.133 52.852 53.050 -0.108 0.000 0.883 198 N CB 0.085 38.476 38.487 -0.160 0.000 1.202 198 N HN 0.375 nan 8.380 nan 0.000 0.512 199 F N 0.960 120.866 119.950 -0.073 0.000 2.379 199 F HA 0.221 4.748 4.527 -0.000 0.000 0.332 199 F C 1.895 177.577 175.800 -0.196 0.000 1.096 199 F CA -0.544 57.389 58.000 -0.111 0.000 1.105 199 F CB 1.435 40.383 39.000 -0.087 0.000 1.189 199 F HN -0.042 nan 8.300 nan 0.000 0.515 200 E N 0.281 120.409 120.200 -0.119 0.000 2.150 200 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 200 E C -0.163 176.051 176.600 -0.644 0.000 0.985 200 E CA 1.060 57.190 56.400 -0.450 0.000 0.814 200 E CB 0.036 29.314 29.700 -0.704 0.000 0.752 200 E HN 0.388 nan 8.360 nan 0.000 0.466 201 H N -1.792 117.126 119.070 -0.253 0.000 2.821 201 H HA 0.402 4.958 4.556 -0.000 0.000 0.373 201 H C -1.229 173.864 175.328 -0.393 0.000 1.165 201 H CA -1.056 54.738 56.048 -0.423 0.000 1.154 201 H CB 1.652 30.832 29.762 -0.969 0.000 1.765 201 H HN -0.033 nan 8.280 nan 0.000 0.549 202 C N 3.448 122.735 119.300 -0.022 0.000 2.522 202 C HA 0.583 5.043 4.460 -0.000 0.000 0.344 202 C C -1.542 173.477 174.990 0.047 0.000 1.104 202 C CA -0.406 58.630 59.018 0.028 0.000 1.317 202 C CB -1.256 26.465 27.740 -0.031 0.000 1.896 202 C HN 0.658 nan 8.230 nan 0.000 0.443 203 Y N 2.922 123.337 120.300 0.191 0.000 2.512 203 Y HA 0.513 5.063 4.550 -0.000 0.000 0.348 203 Y C 0.097 176.090 175.900 0.155 0.000 0.990 203 Y CA -0.543 57.678 58.100 0.201 0.000 1.033 203 Y CB 1.540 40.183 38.460 0.305 0.000 1.259 203 Y HN 0.532 nan 8.280 nan 0.000 0.461 204 Q N 1.861 121.798 119.800 0.228 0.000 2.274 204 Q HA 0.468 4.807 4.340 -0.000 0.000 0.256 204 Q C -0.995 175.111 176.000 0.177 0.000 0.927 204 Q CA -0.851 55.050 55.803 0.163 0.000 0.939 204 Q CB 2.000 30.795 28.738 0.096 0.000 1.201 204 Q HN 0.379 nan 8.270 nan 0.000 0.426 205 V N 3.865 123.875 119.914 0.160 0.000 2.389 205 V HA 0.142 4.262 4.120 -0.000 0.000 0.264 205 V C -0.062 176.125 176.094 0.155 0.000 1.049 205 V CA -0.397 61.994 62.300 0.152 0.000 0.932 205 V CB 0.948 32.869 31.823 0.163 0.000 1.011 205 V HN 0.485 nan 8.190 nan 0.000 0.475 206 V N 6.849 126.846 119.914 0.138 0.000 2.370 206 V HA 0.433 4.553 4.120 -0.000 0.000 0.283 206 V C -0.236 175.845 176.094 -0.023 0.000 1.023 206 V CA -0.583 61.754 62.300 0.062 0.000 0.857 206 V CB 1.574 33.422 31.823 0.043 0.000 0.985 206 V HN 0.642 nan 8.190 nan 0.000 0.443 207 L N 6.437 127.574 121.223 -0.144 0.000 2.307 207 L HA 0.710 5.050 4.340 -0.000 0.000 0.284 207 L C -0.264 176.462 176.870 -0.239 0.000 1.023 207 L CA 0.285 54.870 54.840 -0.425 0.000 0.810 207 L CB 1.117 42.855 42.059 -0.535 0.000 1.231 207 L HN 0.655 nan 8.230 nan 0.000 0.423 208 K N 2.528 122.782 120.400 -0.243 0.000 2.499 208 K HA 0.669 4.989 4.320 -0.000 0.000 0.277 208 K C -0.054 176.468 176.600 -0.130 0.000 1.025 208 K CA -0.562 55.643 56.287 -0.138 0.000 0.900 208 K CB 1.941 34.389 32.500 -0.088 0.000 1.494 208 K HN 0.691 nan 8.250 nan 0.000 0.442 209 G N 0.641 109.391 108.800 -0.084 0.000 2.136 209 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.242 209 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.242 209 G C -0.451 174.411 174.900 -0.064 0.000 0.989 209 G CA -0.063 44.997 45.100 -0.066 0.000 0.682 209 G HN 0.168 nan 8.290 nan 0.000 0.522 210 L N -0.418 120.765 121.223 -0.066 0.000 2.439 210 L HA 0.523 4.863 4.340 -0.000 0.000 0.261 210 L C 2.104 178.953 176.870 -0.035 0.000 1.153 210 L CA -0.254 54.555 54.840 -0.053 0.000 0.808 210 L CB 0.335 42.362 42.059 -0.053 0.000 1.126 210 L HN 0.128 nan 8.230 nan 0.000 0.460 211 R N 1.309 121.791 120.500 -0.030 0.000 2.073 211 R HA 0.027 4.367 4.340 -0.000 0.000 0.234 211 R C 0.856 177.148 176.300 -0.013 0.000 1.134 211 R CA 0.902 56.990 56.100 -0.021 0.000 0.952 211 R CB -0.349 29.938 30.300 -0.022 0.000 0.850 211 R HN 0.979 nan 8.270 nan 0.000 0.433 212 G N -0.960 107.832 108.800 -0.014 0.000 2.632 212 G HA2 0.057 4.017 3.960 -0.000 0.000 0.224 212 G HA3 0.057 4.017 3.960 -0.000 0.000 0.224 212 G C -0.084 174.817 174.900 0.002 0.000 1.341 212 G CA -0.471 44.625 45.100 -0.005 0.000 0.880 212 G HN 0.780 nan 8.290 nan 0.000 0.566 213 G N -2.479 106.331 108.800 0.015 0.000 2.359 213 G HA2 0.539 4.499 3.960 -0.000 0.000 0.293 213 G HA3 0.539 4.499 3.960 -0.000 0.000 0.293 213 G C -0.912 174.020 174.900 0.054 0.000 1.300 213 G CA 0.419 45.543 45.100 0.040 0.000 0.888 213 G HN 1.818 nan 8.290 nan 0.000 0.541 214 H N 0.679 119.739 119.070 -0.017 0.000 2.620 214 H HA 0.435 4.991 4.556 -0.000 0.000 0.313 214 H C 1.709 177.033 175.328 -0.007 0.000 1.075 214 H CA 0.549 56.569 56.048 -0.048 0.000 1.397 214 H CB 1.632 31.351 29.762 -0.072 0.000 1.446 214 H HN 0.652 nan 8.280 nan 0.000 0.493 215 S N 2.408 117.832 115.700 -0.460 0.000 2.547 215 S HA -0.035 4.434 4.470 -0.000 0.000 0.235 215 S C 1.548 176.075 174.600 -0.122 0.000 0.980 215 S CA 0.599 58.662 58.200 -0.229 0.000 0.941 215 S CB 0.036 63.123 63.200 -0.189 0.000 0.763 215 S HN 0.693 nan 8.310 nan 0.000 0.532 216 G N 1.781 110.480 108.800 -0.168 0.000 2.724 216 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 216 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 216 G C 1.465 176.612 174.900 0.412 0.000 1.251 216 G CA 0.426 45.675 45.100 0.248 0.000 0.867 216 G HN 0.785 nan 8.290 nan 0.000 0.590 217 V N -0.479 119.757 119.914 0.535 0.000 2.469 217 V HA -0.080 4.040 4.120 -0.000 0.000 0.251 217 V C 1.558 177.863 176.094 0.352 0.000 1.064 217 V CA 2.481 64.978 62.300 0.328 0.000 1.066 217 V CB -0.483 31.445 31.823 0.176 0.000 0.667 217 V HN 0.194 nan 8.190 nan 0.000 0.461 218 D N -0.596 119.966 120.400 0.270 0.000 2.349 218 D HA 0.193 4.833 4.640 -0.000 0.000 0.214 218 D C 1.686 177.998 176.300 0.021 0.000 1.063 218 D CA 0.242 54.313 54.000 0.118 0.000 0.847 218 D CB 0.627 41.465 40.800 0.064 0.000 0.933 218 D HN 0.505 nan 8.370 nan 0.000 0.513 219 I N 2.064 122.699 120.570 0.108 0.000 2.454 219 I HA -0.237 3.933 4.170 -0.000 0.000 0.254 219 I C 2.276 178.389 176.117 -0.006 0.000 1.156 219 I CA 1.277 62.600 61.300 0.037 0.000 1.433 219 I CB -0.279 37.758 38.000 0.062 0.000 1.082 219 I HN 0.157 nan 8.210 nan 0.000 0.432 220 H N -0.776 118.274 119.070 -0.033 0.000 2.491 220 H HA -0.004 4.551 4.556 -0.000 0.000 0.290 220 H C 1.025 176.341 175.328 -0.020 0.000 1.050 220 H CA 1.002 57.023 56.048 -0.045 0.000 1.309 220 H CB -1.767 27.966 29.762 -0.047 0.000 1.392 220 H HN 0.375 nan 8.280 nan 0.000 0.554 221 T N -2.268 111.911 114.554 -0.626 0.000 2.754 221 T HA 0.313 4.663 4.350 -0.000 0.000 0.286 221 T C 1.639 176.227 174.700 -0.187 0.000 0.997 221 T CA -0.137 61.689 62.100 -0.456 0.000 0.982 221 T CB 1.119 69.743 68.868 -0.406 0.000 1.027 221 T HN 0.273 nan 8.240 nan 0.000 0.529 222 G N -0.212 108.512 108.800 -0.125 0.000 3.124 222 G HA2 0.108 4.068 3.960 -0.000 0.000 0.212 222 G HA3 0.108 4.068 3.960 -0.000 0.000 0.212 222 G C 0.636 175.500 174.900 -0.059 0.000 1.181 222 G CA -0.545 44.514 45.100 -0.070 0.000 0.803 222 G HN 0.660 nan 8.290 nan 0.000 0.529 223 R N -0.075 120.381 120.500 -0.073 0.000 2.734 223 R HA 0.436 4.776 4.340 -0.000 0.000 0.266 223 R C 0.233 176.513 176.300 -0.033 0.000 1.044 223 R CA 0.181 56.250 56.100 -0.051 0.000 1.128 223 R CB 0.634 30.902 30.300 -0.054 0.000 1.010 223 R HN 0.188 nan 8.270 nan 0.000 0.461 224 A N 1.951 124.758 122.820 -0.022 0.000 2.320 224 A HA 0.281 4.601 4.320 -0.000 0.000 0.334 224 A C -0.617 176.965 177.584 -0.004 0.000 1.147 224 A CA -0.746 51.287 52.037 -0.006 0.000 0.820 224 A CB 1.109 20.110 19.000 0.001 0.000 1.218 224 A HN 0.694 nan 8.150 nan 0.000 0.482 225 N N 1.161 119.867 118.700 0.010 0.000 2.437 225 N HA 0.384 5.124 4.740 -0.000 0.000 0.259 225 N C 0.813 176.336 175.510 0.021 0.000 0.983 225 N CA 0.287 53.344 53.050 0.011 0.000 0.937 225 N CB 1.738 40.235 38.487 0.017 0.000 1.122 225 N HN 0.596 nan 8.380 nan 0.000 0.499 226 A N 4.993 127.816 122.820 0.005 0.000 1.933 226 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 226 A C 2.062 179.663 177.584 0.029 0.000 1.175 226 A CA 0.972 53.007 52.037 -0.002 0.000 0.628 226 A CB -0.394 18.587 19.000 -0.031 0.000 0.814 226 A HN 0.804 nan 8.150 nan 0.000 0.444 227 I N -0.548 120.041 120.570 0.032 0.000 2.142 227 I HA -0.250 3.920 4.170 -0.000 0.000 0.240 227 I C 2.305 178.462 176.117 0.066 0.000 1.078 227 I CA 1.325 62.654 61.300 0.047 0.000 1.343 227 I CB -0.272 37.751 38.000 0.039 0.000 1.046 227 I HN 0.138 nan 8.210 nan 0.000 0.405 228 K N 0.515 120.953 120.400 0.063 0.000 2.209 228 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 228 K C 2.083 178.756 176.600 0.121 0.000 1.048 228 K CA 0.984 57.317 56.287 0.077 0.000 0.940 228 K CB -0.428 32.110 32.500 0.063 0.000 0.729 228 K HN 0.237 nan 8.250 nan 0.000 0.451 229 V N 1.272 121.275 119.914 0.148 0.000 2.407 229 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 229 V C 2.289 178.582 176.094 0.332 0.000 1.041 229 V CA 0.947 63.404 62.300 0.262 0.000 1.040 229 V CB -0.360 31.607 31.823 0.241 0.000 0.671 229 V HN 0.130 nan 8.190 nan 0.000 0.455 230 L N -0.440 120.935 121.223 0.253 0.000 2.042 230 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 230 L C 2.218 179.180 176.870 0.153 0.000 1.076 230 L CA 1.956 56.955 54.840 0.264 0.000 0.749 230 L CB -0.612 41.562 42.059 0.192 0.000 0.893 230 L HN 0.131 nan 8.230 nan 0.000 0.432 231 L N -0.439 120.845 121.223 0.101 0.000 2.093 231 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 231 L C 2.725 179.600 176.870 0.008 0.000 1.085 231 L CA 1.673 56.537 54.840 0.039 0.000 0.755 231 L CB -1.129 40.955 42.059 0.042 0.000 0.904 231 L HN 0.447 nan 8.230 nan 0.000 0.435 232 R N -0.546 119.994 120.500 0.068 0.000 2.096 232 R HA -0.269 4.071 4.340 -0.000 0.000 0.240 232 R C 2.428 178.661 176.300 -0.112 0.000 1.139 232 R CA 2.013 58.159 56.100 0.077 0.000 0.952 232 R CB -0.491 29.962 30.300 0.254 0.000 0.854 232 R HN 0.204 nan 8.270 nan 0.000 0.436 233 F N 1.322 120.933 119.950 -0.565 0.000 2.069 233 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 233 F C 1.819 177.304 175.800 -0.525 0.000 1.113 233 F CA 1.640 58.970 58.000 -1.116 0.000 1.214 233 F CB -0.624 37.589 39.000 -1.312 0.000 0.978 233 F HN 0.001 nan 8.300 nan 0.000 0.474 234 L N 0.138 120.974 121.223 -0.644 0.000 2.083 234 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 234 L C 2.812 179.445 176.870 -0.395 0.000 1.083 234 L CA 1.195 55.660 54.840 -0.624 0.000 0.752 234 L CB -1.259 40.653 42.059 -0.245 0.000 0.899 234 L HN 0.311 nan 8.230 nan 0.000 0.433 235 A N -0.309 122.360 122.820 -0.251 0.000 1.902 235 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 235 A C 2.362 179.914 177.584 -0.052 0.000 1.181 235 A CA 1.743 53.718 52.037 -0.104 0.000 0.623 235 A CB -0.475 18.539 19.000 0.024 0.000 0.818 235 A HN 0.462 nan 8.150 nan 0.000 0.443 236 E N 0.052 120.161 120.200 -0.151 0.000 2.072 236 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 236 E C 1.971 178.471 176.600 -0.167 0.000 0.985 236 E CA 1.520 57.859 56.400 -0.102 0.000 0.801 236 E CB -0.344 29.323 29.700 -0.056 0.000 0.750 236 E HN 0.433 nan 8.360 nan 0.000 0.452 237 L N 1.598 122.591 121.223 -0.384 0.000 2.012 237 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 237 L C 2.687 179.474 176.870 -0.138 0.000 1.073 237 L CA 1.971 56.566 54.840 -0.408 0.000 0.748 237 L CB -0.669 40.860 42.059 -0.884 0.000 0.891 237 L HN 0.136 nan 8.230 nan 0.000 0.431 238 Q N -0.489 119.288 119.800 -0.039 0.000 2.079 238 Q HA -0.229 4.111 4.340 -0.000 0.000 0.200 238 Q C 2.188 178.251 176.000 0.106 0.000 0.974 238 Q CA 2.019 57.912 55.803 0.150 0.000 0.840 238 Q CB -0.094 28.741 28.738 0.160 0.000 0.898 238 Q HN 0.718 nan 8.270 nan 0.000 0.430 239 Q N -0.286 119.559 119.800 0.076 0.000 2.046 239 Q HA -0.085 4.255 4.340 -0.000 0.000 0.200 239 Q C 1.515 177.518 176.000 0.004 0.000 0.975 239 Q CA 1.670 57.500 55.803 0.045 0.000 0.836 239 Q CB 0.036 28.798 28.738 0.041 0.000 0.896 239 Q HN 0.490 nan 8.270 nan 0.000 0.428 240 N N -0.560 118.132 118.700 -0.013 0.000 2.392 240 N HA -0.005 4.735 4.740 -0.000 0.000 0.177 240 N C -0.162 175.331 175.510 -0.029 0.000 1.066 240 N CA 0.181 53.217 53.050 -0.023 0.000 0.895 240 N CB 0.608 39.081 38.487 -0.024 0.000 0.988 240 N HN 0.068 nan 8.380 nan 0.000 0.457 241 Q N 0.711 120.501 119.800 -0.017 0.000 2.773 241 Q HA 0.184 4.524 4.340 -0.000 0.000 0.373 241 Q C -2.049 173.986 176.000 0.058 0.000 0.940 241 Q CA -1.364 54.446 55.803 0.011 0.000 1.015 241 Q CB 1.330 30.061 28.738 -0.011 0.000 1.349 241 Q HN 0.291 nan 8.270 nan 0.000 0.413 242 P HA -0.156 nan 4.420 nan 0.000 0.220 242 P C 0.446 177.711 177.300 -0.059 0.000 1.148 242 P CA 1.284 64.328 63.100 -0.093 0.000 0.803 242 P CB 0.216 31.773 31.700 -0.239 0.000 0.782 243 H N -2.411 116.737 119.070 0.131 0.000 2.539 243 H HA 0.125 4.681 4.556 -0.000 0.000 0.267 243 H C 0.310 175.763 175.328 0.209 0.000 0.982 243 H CA -0.492 55.638 56.048 0.136 0.000 1.146 243 H CB -0.446 29.379 29.762 0.105 0.000 1.382 243 H HN 0.056 nan 8.280 nan 0.000 0.577 244 F N 2.738 122.784 119.950 0.161 0.000 2.439 244 F HA 0.101 4.628 4.527 -0.000 0.000 0.356 244 F C -0.044 175.926 175.800 0.283 0.000 1.161 244 F CA -1.537 56.557 58.000 0.157 0.000 1.151 244 F CB 0.038 39.053 39.000 0.026 0.000 1.222 244 F HN -0.024 nan 8.300 nan 0.000 0.558 245 D N 7.480 127.842 120.400 -0.063 0.000 2.352 245 D HA 0.221 4.861 4.640 -0.000 0.000 0.245 245 D C -0.844 175.433 176.300 -0.039 0.000 1.224 245 D CA 0.268 54.294 54.000 0.044 0.000 0.879 245 D CB -0.193 40.710 40.800 0.171 0.000 1.057 245 D HN 0.304 nan 8.370 nan 0.000 0.491 246 F N 0.863 120.615 119.950 -0.330 0.000 2.685 246 F HA 0.736 5.263 4.527 -0.000 0.000 0.315 246 F C -1.209 174.349 175.800 -0.403 0.000 1.126 246 F CA -0.903 56.800 58.000 -0.496 0.000 0.950 246 F CB 1.627 40.308 39.000 -0.531 0.000 1.360 246 F HN 0.058 nan 8.300 nan 0.000 0.469 247 T N 1.629 115.732 114.554 -0.752 0.000 2.853 247 T HA 0.559 4.909 4.350 -0.000 0.000 0.311 247 T C -1.225 173.298 174.700 -0.295 0.000 1.307 247 T CA -0.725 60.974 62.100 -0.667 0.000 1.019 247 T CB 1.227 69.842 68.868 -0.422 0.000 1.264 247 T HN 0.830 nan 8.240 nan 0.000 0.497 248 L N 2.657 123.706 121.223 -0.290 0.000 2.461 248 L HA 0.461 4.801 4.340 -0.000 0.000 0.272 248 L C 1.396 177.907 176.870 -0.600 0.000 1.197 248 L CA -0.086 54.507 54.840 -0.412 0.000 0.836 248 L CB 0.686 42.349 42.059 -0.661 0.000 1.105 248 L HN 0.908 nan 8.230 nan 0.000 0.477 249 A N 2.502 125.034 122.820 -0.480 0.000 2.055 249 A HA 0.212 4.532 4.320 -0.000 0.000 0.205 249 A C 0.317 177.681 177.584 -0.367 0.000 1.235 249 A CA 0.749 52.600 52.037 -0.311 0.000 0.822 249 A CB -0.060 18.882 19.000 -0.096 0.000 0.903 249 A HN 0.929 nan 8.150 nan 0.000 0.473 250 N N -2.589 115.866 118.700 -0.408 0.000 3.355 250 N HA 0.551 5.291 4.740 -0.000 0.000 0.238 250 N C -1.244 174.191 175.510 -0.126 0.000 1.466 250 N CA -0.444 52.485 53.050 -0.202 0.000 0.882 250 N CB 1.135 39.649 38.487 0.045 0.000 1.406 250 N HN 0.193 nan 8.380 nan 0.000 0.500 251 I N -0.744 119.842 120.570 0.026 0.000 2.743 251 I HA 0.624 4.794 4.170 -0.000 0.000 0.292 251 I C -1.769 174.397 176.117 0.081 0.000 1.343 251 I CA -0.432 60.896 61.300 0.047 0.000 1.038 251 I CB 1.516 39.546 38.000 0.050 0.000 1.311 251 I HN 0.970 nan 8.210 nan 0.000 0.426 252 R N 4.896 125.435 120.500 0.065 0.000 2.747 252 R HA 0.947 5.287 4.340 -0.000 0.000 0.272 252 R C -1.181 175.148 176.300 0.050 0.000 1.032 252 R CA -1.014 55.123 56.100 0.062 0.000 0.896 252 R CB 1.720 32.056 30.300 0.060 0.000 1.253 252 R HN 0.798 nan 8.270 nan 0.000 0.461 253 G N -0.845 107.981 108.800 0.043 0.000 2.377 253 G HA2 0.540 4.500 3.960 -0.000 0.000 0.297 253 G HA3 0.540 4.500 3.960 -0.000 0.000 0.297 253 G C -0.228 174.688 174.900 0.027 0.000 1.547 253 G CA 0.228 45.346 45.100 0.031 0.000 0.833 253 G HN 1.320 nan 8.290 nan 0.000 0.583 254 G N -0.481 108.329 108.800 0.018 0.000 2.782 254 G HA2 0.254 4.214 3.960 -0.000 0.000 0.228 254 G HA3 0.254 4.214 3.960 -0.000 0.000 0.228 254 G C 0.623 175.536 174.900 0.021 0.000 1.372 254 G CA 0.602 45.712 45.100 0.016 0.000 0.862 254 G HN 1.794 nan 8.290 nan 0.000 0.547 255 S N -2.025 113.688 115.700 0.021 0.000 3.084 255 S HA 0.497 4.967 4.470 -0.000 0.000 0.262 255 S C 0.319 174.938 174.600 0.031 0.000 1.081 255 S CA 1.067 59.283 58.200 0.027 0.000 0.855 255 S CB 0.581 63.798 63.200 0.028 0.000 0.857 255 S HN 2.037 nan 8.310 nan 0.000 0.449 256 I N 1.807 122.394 120.570 0.028 0.000 2.722 256 I HA 0.551 4.721 4.170 -0.000 0.000 0.295 256 I C 0.773 176.902 176.117 0.020 0.000 1.161 256 I CA -0.931 60.389 61.300 0.033 0.000 1.032 256 I CB 1.673 39.704 38.000 0.051 0.000 1.244 256 I HN 0.377 nan 8.210 nan 0.000 0.421 257 R N 3.669 124.182 120.500 0.022 0.000 2.119 257 R HA -0.179 4.161 4.340 -0.000 0.000 0.246 257 R C 1.330 177.619 176.300 -0.018 0.000 1.146 257 R CA 2.765 58.870 56.100 0.009 0.000 0.962 257 R CB -0.166 30.147 30.300 0.021 0.000 0.863 257 R HN 0.933 nan 8.270 nan 0.000 0.442 258 N N -0.436 118.246 118.700 -0.030 0.000 2.230 258 N HA 0.068 4.808 4.740 -0.000 0.000 0.202 258 N C -0.740 174.669 175.510 -0.168 0.000 1.119 258 N CA 0.290 53.272 53.050 -0.115 0.000 0.851 258 N CB 0.618 39.032 38.487 -0.122 0.000 0.990 258 N HN 0.174 nan 8.380 nan 0.000 0.497 259 A N 0.931 123.707 122.820 -0.072 0.000 2.292 259 A HA 0.557 4.877 4.320 -0.000 0.000 0.319 259 A C 0.143 177.705 177.584 -0.037 0.000 1.206 259 A CA -0.744 51.264 52.037 -0.047 0.000 0.835 259 A CB 0.366 19.367 19.000 0.002 0.000 1.164 259 A HN 0.278 nan 8.150 nan 0.000 0.505 260 I N 3.829 124.379 120.570 -0.034 0.000 2.587 260 I HA 0.093 4.263 4.170 -0.000 0.000 0.284 260 I C -1.926 174.185 176.117 -0.010 0.000 1.134 260 I CA -1.196 60.092 61.300 -0.021 0.000 1.410 260 I CB 0.705 38.694 38.000 -0.018 0.000 1.392 260 I HN 0.423 nan 8.210 nan 0.000 0.545 261 P HA 0.152 nan 4.420 nan 0.000 0.268 261 P C -0.160 177.133 177.300 -0.011 0.000 1.205 261 P CA -0.078 63.020 63.100 -0.003 0.000 0.771 261 P CB 0.657 32.359 31.700 0.003 0.000 0.858 262 R N 0.595 121.086 120.500 -0.014 0.000 2.344 262 R HA 0.200 4.540 4.340 -0.000 0.000 0.209 262 R C 0.253 176.528 176.300 -0.042 0.000 0.886 262 R CA 0.279 56.363 56.100 -0.027 0.000 1.040 262 R CB 0.611 30.899 30.300 -0.019 0.000 1.114 262 R HN 0.573 nan 8.270 nan 0.000 0.547 263 E N 0.156 120.336 120.200 -0.032 0.000 2.367 263 E HA 0.397 4.747 4.350 -0.000 0.000 0.273 263 E C -1.204 175.382 176.600 -0.025 0.000 0.903 263 E CA -0.739 55.636 56.400 -0.041 0.000 0.764 263 E CB 2.415 32.099 29.700 -0.027 0.000 1.252 263 E HN 0.018 nan 8.360 nan 0.000 0.446 264 S N -0.209 115.473 115.700 -0.029 0.000 2.550 264 S HA 0.724 5.194 4.470 -0.000 0.000 0.270 264 S C -1.169 173.441 174.600 0.017 0.000 1.145 264 S CA -0.774 57.429 58.200 0.004 0.000 0.852 264 S CB 1.575 64.786 63.200 0.018 0.000 1.119 264 S HN 0.223 nan 8.310 nan 0.000 0.465 265 V N 0.382 120.321 119.914 0.041 0.000 2.808 265 V HA 0.904 5.024 4.120 -0.000 0.000 0.308 265 V C -0.336 175.797 176.094 0.065 0.000 1.099 265 V CA -0.514 61.819 62.300 0.056 0.000 0.920 265 V CB 1.592 33.441 31.823 0.045 0.000 1.014 265 V HN 1.444 nan 8.190 nan 0.000 0.425 266 A N 2.125 124.995 122.820 0.083 0.000 2.330 266 A HA 0.806 5.126 4.320 -0.000 0.000 0.313 266 A C -0.116 177.508 177.584 0.067 0.000 1.124 266 A CA -0.522 51.554 52.037 0.064 0.000 0.774 266 A CB 1.254 20.305 19.000 0.085 0.000 1.198 266 A HN 0.748 nan 8.150 nan 0.000 0.465 267 T N 3.079 117.647 114.554 0.023 0.000 2.743 267 T HA 0.523 4.873 4.350 -0.000 0.000 0.293 267 T C -0.498 174.221 174.700 0.032 0.000 0.945 267 T CA 0.110 62.233 62.100 0.037 0.000 1.030 267 T CB 0.182 69.054 68.868 0.007 0.000 0.912 267 T HN 0.359 nan 8.240 nan 0.000 0.483 268 L N 4.097 125.402 121.223 0.136 0.000 2.341 268 L HA 0.634 4.974 4.340 -0.000 0.000 0.278 268 L C -0.124 176.879 176.870 0.221 0.000 1.005 268 L CA -0.857 54.108 54.840 0.210 0.000 0.818 268 L CB 1.983 44.220 42.059 0.297 0.000 1.259 268 L HN 0.547 nan 8.230 nan 0.000 0.418 269 V N 0.929 120.868 119.914 0.041 0.000 2.581 269 V HA 0.889 5.009 4.120 -0.000 0.000 0.303 269 V C -0.718 175.218 176.094 -0.263 0.000 1.041 269 V CA -0.572 61.649 62.300 -0.131 0.000 0.907 269 V CB 1.409 33.101 31.823 -0.218 0.000 0.994 269 V HN 0.642 nan 8.190 nan 0.000 0.442 270 F N 1.374 121.283 119.950 -0.068 0.000 2.713 270 F HA 0.738 5.265 4.527 -0.000 0.000 0.311 270 F C -1.009 175.001 175.800 0.349 0.000 1.141 270 F CA -1.151 56.845 58.000 -0.007 0.000 0.939 270 F CB 1.282 40.181 39.000 -0.167 0.000 1.325 270 F HN 0.474 nan 8.300 nan 0.000 0.453 271 N N 0.358 119.384 118.700 0.543 0.000 2.443 271 N HA 0.726 5.466 4.740 -0.000 0.000 0.293 271 N C 0.087 175.912 175.510 0.526 0.000 1.159 271 N CA 0.414 53.706 53.050 0.403 0.000 0.904 271 N CB 1.626 40.248 38.487 0.226 0.000 1.214 271 N HN 1.329 nan 8.380 nan 0.000 0.513 272 G N 0.656 109.736 108.800 0.468 0.000 2.631 272 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.504 272 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.504 272 G C -1.366 173.812 174.900 0.462 0.000 1.306 272 G CA -0.826 44.516 45.100 0.403 0.000 0.897 272 G HN 0.532 nan 8.290 nan 0.000 0.520 273 D N -0.183 120.378 120.400 0.270 0.000 2.458 273 D HA 0.358 4.998 4.640 -0.000 0.000 0.243 273 D C 1.830 178.177 176.300 0.078 0.000 1.146 273 D CA -0.098 53.985 54.000 0.139 0.000 0.877 273 D CB 0.796 41.638 40.800 0.068 0.000 1.176 273 D HN 0.445 nan 8.370 nan 0.000 0.461 274 I N 1.548 122.094 120.570 -0.040 0.000 2.399 274 I HA -0.298 3.872 4.170 -0.000 0.000 0.254 274 I C 2.399 178.358 176.117 -0.263 0.000 1.146 274 I CA 1.314 62.504 61.300 -0.184 0.000 1.412 274 I CB -0.592 37.221 38.000 -0.310 0.000 1.076 274 I HN 0.509 nan 8.210 nan 0.000 0.432 275 T N -1.981 112.476 114.554 -0.161 0.000 2.881 275 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 275 T C 1.857 176.435 174.700 -0.202 0.000 1.068 275 T CA 1.190 63.196 62.100 -0.157 0.000 1.131 275 T CB -0.901 67.914 68.868 -0.089 0.000 0.871 275 T HN 0.192 nan 8.240 nan 0.000 0.479 276 V N 1.441 121.227 119.914 -0.214 0.000 2.261 276 V HA -0.088 4.032 4.120 -0.000 0.000 0.246 276 V C 2.529 178.305 176.094 -0.529 0.000 1.047 276 V CA 1.518 63.644 62.300 -0.290 0.000 1.015 276 V CB -0.920 30.789 31.823 -0.190 0.000 0.642 276 V HN 0.361 nan 8.190 nan 0.000 0.446 277 L N 0.065 120.850 121.223 -0.730 0.000 2.012 277 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 277 L C 2.520 179.112 176.870 -0.464 0.000 1.073 277 L CA 2.258 56.615 54.840 -0.805 0.000 0.748 277 L CB -0.996 40.548 42.059 -0.858 0.000 0.891 277 L HN 0.409 nan 8.230 nan 0.000 0.431 278 Q N -1.295 118.279 119.800 -0.376 0.000 2.077 278 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 278 Q C 2.383 178.248 176.000 -0.225 0.000 0.989 278 Q CA 2.364 58.009 55.803 -0.264 0.000 0.853 278 Q CB -0.223 28.388 28.738 -0.211 0.000 0.907 278 Q HN 0.651 nan 8.270 nan 0.000 0.418 279 S N -0.562 115.008 115.700 -0.216 0.000 2.368 279 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 279 S C 1.972 176.474 174.600 -0.163 0.000 1.029 279 S CA 1.169 59.270 58.200 -0.166 0.000 0.988 279 S CB -0.356 62.758 63.200 -0.143 0.000 0.838 279 S HN 0.520 nan 8.310 nan 0.000 0.462 280 A N 0.999 123.698 122.820 -0.202 0.000 1.908 280 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 280 A C 2.389 179.915 177.584 -0.097 0.000 1.181 280 A CA 1.890 53.862 52.037 -0.108 0.000 0.627 280 A CB -1.180 17.722 19.000 -0.163 0.000 0.818 280 A HN 0.483 nan 8.150 nan 0.000 0.445 281 V N -0.237 119.493 119.914 -0.306 0.000 2.295 281 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 281 V C 2.755 178.604 176.094 -0.409 0.000 1.049 281 V CA 2.447 64.359 62.300 -0.647 0.000 1.024 281 V CB -0.799 30.684 31.823 -0.568 0.000 0.648 281 V HN 0.706 nan 8.190 nan 0.000 0.447 282 Q N 0.629 120.287 119.800 -0.236 0.000 2.030 282 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 282 Q C 2.185 178.117 176.000 -0.114 0.000 0.986 282 Q CA 1.949 57.664 55.803 -0.148 0.000 0.843 282 Q CB -0.338 28.333 28.738 -0.112 0.000 0.904 282 Q HN 0.578 nan 8.270 nan 0.000 0.420 283 K N -0.917 119.430 120.400 -0.087 0.000 2.103 283 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 283 K C 1.998 178.574 176.600 -0.039 0.000 1.048 283 K CA 1.300 57.556 56.287 -0.050 0.000 0.930 283 K CB -0.313 32.172 32.500 -0.025 0.000 0.716 283 K HN 0.220 nan 8.250 nan 0.000 0.444 284 F N 1.588 121.423 119.950 -0.193 0.000 2.187 284 F HA -0.058 4.469 4.527 -0.000 0.000 0.295 284 F C 2.278 177.955 175.800 -0.206 0.000 1.091 284 F CA 0.997 58.877 58.000 -0.199 0.000 1.308 284 F CB -0.318 38.511 39.000 -0.286 0.000 1.030 284 F HN -0.047 nan 8.300 nan 0.000 0.487 285 A N 0.272 122.965 122.820 -0.212 0.000 1.892 285 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 285 A C 1.896 179.414 177.584 -0.109 0.000 1.188 285 A CA 2.367 54.360 52.037 -0.074 0.000 0.631 285 A CB -1.117 17.887 19.000 0.006 0.000 0.822 285 A HN 0.456 nan 8.150 nan 0.000 0.447 286 D N -0.695 119.633 120.400 -0.120 0.000 2.144 286 D HA -0.050 4.590 4.640 -0.000 0.000 0.200 286 D C 2.004 178.225 176.300 -0.133 0.000 0.978 286 D CA 1.124 55.065 54.000 -0.100 0.000 0.833 286 D CB -0.435 40.320 40.800 -0.075 0.000 0.961 286 D HN 0.205 nan 8.370 nan 0.000 0.470 287 V N 0.760 120.557 119.914 -0.196 0.000 2.295 287 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 287 V C 2.348 178.292 176.094 -0.250 0.000 1.049 287 V CA 1.103 63.273 62.300 -0.217 0.000 1.024 287 V CB -0.278 31.385 31.823 -0.268 0.000 0.648 287 V HN 0.128 nan 8.190 nan 0.000 0.447 288 I N -0.252 120.093 120.570 -0.374 0.000 2.353 288 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 288 I C 2.433 178.468 176.117 -0.138 0.000 1.119 288 I CA 1.619 62.740 61.300 -0.298 0.000 1.417 288 I CB -0.426 37.345 38.000 -0.382 0.000 1.078 288 I HN 0.205 nan 8.210 nan 0.000 0.421 289 K N 0.503 120.838 120.400 -0.108 0.000 2.057 289 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 289 K C 2.106 178.668 176.600 -0.062 0.000 1.049 289 K CA 1.444 57.692 56.287 -0.064 0.000 0.931 289 K CB -0.205 32.266 32.500 -0.048 0.000 0.714 289 K HN 0.356 nan 8.250 nan 0.000 0.440 290 A N 1.506 124.282 122.820 -0.074 0.000 1.877 290 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 290 A C 1.879 179.430 177.584 -0.055 0.000 1.186 290 A CA 1.763 53.764 52.037 -0.060 0.000 0.620 290 A CB -0.511 18.451 19.000 -0.063 0.000 0.822 290 A HN 0.481 nan 8.150 nan 0.000 0.443 291 E N -0.591 119.568 120.200 -0.068 0.000 2.077 291 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 291 E C 1.773 178.347 176.600 -0.043 0.000 0.989 291 E CA 1.278 57.646 56.400 -0.054 0.000 0.800 291 E CB -0.173 29.489 29.700 -0.065 0.000 0.746 291 E HN 0.634 nan 8.360 nan 0.000 0.452 292 L N -0.728 120.468 121.223 -0.046 0.000 2.515 292 L HA 0.189 4.529 4.340 -0.000 0.000 0.223 292 L C 1.928 178.778 176.870 -0.033 0.000 1.079 292 L CA 0.262 55.080 54.840 -0.036 0.000 0.857 292 L CB -0.164 41.874 42.059 -0.035 0.000 1.050 292 L HN 0.072 nan 8.230 nan 0.000 0.476 293 A N 1.270 124.069 122.820 -0.035 0.000 3.591 293 A HA -0.468 3.852 4.320 -0.000 0.000 0.335 293 A C 2.184 179.753 177.584 -0.026 0.000 3.074 293 A CA 4.061 56.081 52.037 -0.030 0.000 0.902 293 A CB -1.595 17.388 19.000 -0.027 0.000 1.059 293 A HN 0.327 nan 8.150 nan 0.000 0.428 294 L N -2.459 118.750 121.223 -0.023 0.000 2.131 294 L HA 0.125 4.465 4.340 -0.000 0.000 0.206 294 L C 2.772 179.628 176.870 -0.023 0.000 1.087 294 L CA 2.969 57.797 54.840 -0.021 0.000 0.767 294 L CB -2.225 39.824 42.059 -0.018 0.000 0.917 294 L HN 0.850 nan 8.230 nan 0.000 0.441 295 T N -0.845 113.693 114.554 -0.026 0.000 2.904 295 T HA -0.018 4.332 4.350 -0.000 0.000 0.267 295 T C 0.627 175.309 174.700 -0.030 0.000 1.059 295 T CA 1.196 63.279 62.100 -0.029 0.000 1.137 295 T CB -0.096 68.753 68.868 -0.032 0.000 0.879 295 T HN 0.655 nan 8.240 nan 0.000 0.467 296 E N 0.709 120.891 120.200 -0.031 0.000 3.374 296 E HA 0.214 4.564 4.350 -0.000 0.000 0.223 296 E C -2.197 174.383 176.600 -0.033 0.000 1.210 296 E CA -1.594 54.786 56.400 -0.033 0.000 0.987 296 E CB 1.389 31.067 29.700 -0.036 0.000 1.322 296 E HN 0.243 nan 8.360 nan 0.000 0.404 297 P HA -0.051 nan 4.420 nan 0.000 0.222 297 P C 0.622 177.905 177.300 -0.029 0.000 1.147 297 P CA 0.951 64.035 63.100 -0.027 0.000 0.790 297 P CB 0.435 32.121 31.700 -0.023 0.000 0.780 298 N N -1.487 117.192 118.700 -0.034 0.000 2.203 298 N HA 0.112 4.852 4.740 -0.000 0.000 0.207 298 N C 0.199 175.678 175.510 -0.052 0.000 1.130 298 N CA -0.249 52.779 53.050 -0.037 0.000 0.861 298 N CB -0.284 38.183 38.487 -0.033 0.000 1.005 298 N HN 0.106 nan 8.380 nan 0.000 0.507 299 L N 1.519 122.706 121.223 -0.060 0.000 2.559 299 L HA 0.127 4.467 4.340 -0.000 0.000 0.274 299 L C -0.369 176.445 176.870 -0.093 0.000 1.205 299 L CA 0.483 55.266 54.840 -0.095 0.000 0.907 299 L CB 0.343 42.351 42.059 -0.086 0.000 1.153 299 L HN 0.112 nan 8.230 nan 0.000 0.490 300 I N 4.504 124.988 120.570 -0.144 0.000 2.534 300 I HA 0.359 4.529 4.170 -0.000 0.000 0.288 300 I C -1.339 174.662 176.117 -0.193 0.000 1.077 300 I CA -0.599 60.641 61.300 -0.099 0.000 1.051 300 I CB 1.333 39.302 38.000 -0.053 0.000 1.234 300 I HN 0.426 nan 8.210 nan 0.000 0.425 301 F N 5.472 125.395 119.950 -0.046 0.000 2.404 301 F HA 0.531 5.058 4.527 -0.000 0.000 0.345 301 F C 0.703 176.466 175.800 -0.061 0.000 1.110 301 F CA -0.014 57.946 58.000 -0.067 0.000 1.130 301 F CB 1.900 40.832 39.000 -0.113 0.000 1.129 301 F HN 0.464 nan 8.300 nan 0.000 0.500 302 T N 1.310 115.950 114.554 0.143 0.000 2.907 302 T HA 0.750 5.100 4.350 -0.000 0.000 0.290 302 T C -1.464 173.297 174.700 0.101 0.000 1.066 302 T CA -0.911 61.243 62.100 0.092 0.000 1.012 302 T CB 1.991 70.892 68.868 0.056 0.000 1.184 302 T HN 0.396 nan 8.240 nan 0.000 0.522 303 L N 1.105 122.384 121.223 0.092 0.000 2.471 303 L HA 0.492 4.832 4.340 -0.000 0.000 0.263 303 L C -1.225 175.784 176.870 0.231 0.000 0.985 303 L CA -0.327 54.591 54.840 0.130 0.000 0.868 303 L CB 1.219 43.301 42.059 0.039 0.000 1.203 303 L HN 0.821 nan 8.230 nan 0.000 0.429 304 E N 4.356 124.707 120.200 0.252 0.000 2.185 304 E HA 0.282 4.632 4.350 -0.000 0.000 0.261 304 E C -1.048 175.575 176.600 0.039 0.000 0.879 304 E CA -0.835 55.661 56.400 0.161 0.000 0.756 304 E CB 2.244 31.992 29.700 0.080 0.000 1.152 304 E HN 0.370 nan 8.360 nan 0.000 0.416 305 K N 2.323 122.608 120.400 -0.191 0.000 2.436 305 K HA 0.243 4.563 4.320 -0.000 0.000 0.275 305 K C -0.785 175.619 176.600 -0.326 0.000 0.999 305 K CA 0.005 55.850 56.287 -0.737 0.000 0.980 305 K CB 0.638 32.714 32.500 -0.707 0.000 0.919 305 K HN 0.243 nan 8.250 nan 0.000 0.484 306 V N 2.802 122.530 119.914 -0.311 0.000 3.114 306 V HA 0.135 4.255 4.120 -0.000 0.000 0.308 306 V C -0.729 175.294 176.094 -0.119 0.000 1.168 306 V CA -1.027 61.188 62.300 -0.143 0.000 1.015 306 V CB 1.877 33.655 31.823 -0.074 0.000 1.050 306 V HN 0.920 nan 8.190 nan 0.000 0.433 307 E N 1.937 122.097 120.200 -0.068 0.000 2.452 307 E HA 0.049 4.399 4.350 -0.000 0.000 0.261 307 E C -0.476 176.104 176.600 -0.034 0.000 0.987 307 E CA -0.078 56.294 56.400 -0.046 0.000 0.926 307 E CB 0.519 30.203 29.700 -0.027 0.000 0.934 307 E HN 0.424 nan 8.360 nan 0.000 0.452 308 K N 5.859 126.242 120.400 -0.029 0.000 2.349 308 K HA 0.209 4.529 4.320 -0.000 0.000 0.289 308 K C -2.171 174.430 176.600 0.001 0.000 1.064 308 K CA -1.489 54.789 56.287 -0.015 0.000 0.947 308 K CB 0.603 33.094 32.500 -0.016 0.000 1.007 308 K HN 0.369 nan 8.250 nan 0.000 0.478 309 P HA -0.018 nan 4.420 nan 0.000 0.272 309 P C 0.521 177.841 177.300 0.033 0.000 1.230 309 P CA -0.422 62.693 63.100 0.026 0.000 0.788 309 P CB 1.021 32.748 31.700 0.044 0.000 0.949 310 Q N 0.200 120.014 119.800 0.023 0.000 2.172 310 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 310 Q C 0.556 176.581 176.000 0.041 0.000 0.964 310 Q CA 1.378 57.193 55.803 0.020 0.000 0.855 310 Q CB -0.028 28.709 28.738 -0.001 0.000 0.918 310 Q HN 0.531 nan 8.270 nan 0.000 0.444 311 Q N -0.633 119.199 119.800 0.054 0.000 2.394 311 Q HA 0.628 4.968 4.340 -0.000 0.000 0.273 311 Q C -0.812 175.322 176.000 0.223 0.000 1.089 311 Q CA -0.351 55.518 55.803 0.110 0.000 0.812 311 Q CB 2.376 31.122 28.738 0.014 0.000 1.353 311 Q HN 0.360 nan 8.270 nan 0.000 0.438 312 V N -2.374 117.727 119.914 0.310 0.000 3.167 312 V HA 0.618 4.738 4.120 -0.000 0.000 0.310 312 V C -0.602 175.748 176.094 0.426 0.000 1.207 312 V CA -1.051 61.439 62.300 0.317 0.000 1.059 312 V CB 1.187 33.093 31.823 0.138 0.000 1.079 312 V HN 0.511 nan 8.190 nan 0.000 0.446 313 F N 1.938 121.881 119.950 -0.012 0.000 2.496 313 F HA 0.541 5.068 4.527 -0.000 0.000 0.344 313 F C 1.404 177.150 175.800 -0.090 0.000 1.155 313 F CA -0.291 57.614 58.000 -0.158 0.000 1.302 313 F CB 0.572 39.461 39.000 -0.184 0.000 1.159 313 F HN 0.870 nan 8.300 nan 0.000 0.595 314 S N 0.061 115.793 115.700 0.054 0.000 2.593 314 S HA 0.131 4.601 4.470 -0.000 0.000 0.269 314 S C 1.195 175.799 174.600 0.007 0.000 1.334 314 S CA -0.165 58.053 58.200 0.030 0.000 1.015 314 S CB 0.897 64.087 63.200 -0.017 0.000 0.912 314 S HN 0.673 nan 8.310 nan 0.000 0.541 315 S N 1.140 116.836 115.700 -0.006 0.000 2.370 315 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 315 S C 1.723 176.285 174.600 -0.062 0.000 1.033 315 S CA 0.961 59.124 58.200 -0.062 0.000 1.011 315 S CB -0.686 62.492 63.200 -0.037 0.000 0.852 315 S HN 0.699 nan 8.310 nan 0.000 0.457 316 Q N 0.595 120.373 119.800 -0.037 0.000 2.079 316 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 316 Q C 2.648 178.624 176.000 -0.040 0.000 0.974 316 Q CA 1.289 57.072 55.803 -0.033 0.000 0.840 316 Q CB -1.435 27.285 28.738 -0.030 0.000 0.898 316 Q HN 0.763 nan 8.270 nan 0.000 0.430 317 C N 0.460 119.724 119.300 -0.060 0.000 2.413 317 C HA -0.159 4.301 4.460 -0.000 0.000 0.276 317 C C 2.738 177.724 174.990 -0.008 0.000 1.236 317 C CA 1.660 60.625 59.018 -0.088 0.000 1.735 317 C CB -0.960 26.659 27.740 -0.202 0.000 2.031 317 C HN 0.521 nan 8.230 nan 0.000 0.474 318 T N 0.717 115.289 114.554 0.030 0.000 2.684 318 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 318 T C 1.810 176.477 174.700 -0.056 0.000 1.036 318 T CA 1.982 64.091 62.100 0.014 0.000 1.148 318 T CB -0.278 68.503 68.868 -0.145 0.000 0.863 318 T HN 0.660 nan 8.240 nan 0.000 0.436 319 K N 0.850 121.214 120.400 -0.061 0.000 2.057 319 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 319 K C 2.341 178.963 176.600 0.036 0.000 1.049 319 K CA 1.414 57.694 56.287 -0.011 0.000 0.931 319 K CB -0.198 32.347 32.500 0.076 0.000 0.714 319 K HN 0.173 nan 8.250 nan 0.000 0.440 320 N N 1.099 119.815 118.700 0.027 0.000 2.142 320 N HA -0.075 4.664 4.740 -0.000 0.000 0.186 320 N C 1.574 177.097 175.510 0.021 0.000 1.023 320 N CA 0.996 54.067 53.050 0.035 0.000 0.852 320 N CB 0.037 38.525 38.487 0.002 0.000 0.998 320 N HN 0.090 nan 8.380 nan 0.000 0.424 321 I N -0.146 120.428 120.570 0.007 0.000 2.353 321 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 321 I C 1.764 177.878 176.117 -0.005 0.000 1.119 321 I CA 0.725 62.040 61.300 0.026 0.000 1.417 321 I CB -0.119 37.935 38.000 0.089 0.000 1.078 321 I HN 0.191 nan 8.210 nan 0.000 0.421 322 I N -0.091 120.426 120.570 -0.089 0.000 2.233 322 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 322 I C 2.542 178.531 176.117 -0.213 0.000 1.093 322 I CA 1.162 62.342 61.300 -0.199 0.000 1.380 322 I CB -0.463 37.321 38.000 -0.360 0.000 1.067 322 I HN 0.268 nan 8.210 nan 0.000 0.413 323 H N -0.768 118.311 119.070 0.015 0.000 2.428 323 H HA -0.112 4.444 4.556 -0.000 0.000 0.296 323 H C 2.372 177.707 175.328 0.012 0.000 1.062 323 H CA 1.201 57.254 56.048 0.009 0.000 1.350 323 H CB -0.492 29.271 29.762 0.002 0.000 1.403 323 H HN 0.422 nan 8.280 nan 0.000 0.533 324 C N 0.835 120.195 119.300 0.101 0.000 2.436 324 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 324 C C 2.770 177.790 174.990 0.050 0.000 1.241 324 C CA 0.481 59.538 59.018 0.064 0.000 1.721 324 C CB -1.246 26.521 27.740 0.046 0.000 2.043 324 C HN 0.420 nan 8.230 nan 0.000 0.472 325 L N 1.226 122.472 121.223 0.039 0.000 2.376 325 L HA -0.032 4.307 4.340 -0.000 0.000 0.219 325 L C 2.260 179.154 176.870 0.041 0.000 1.133 325 L CA 1.312 56.174 54.840 0.037 0.000 0.816 325 L CB -0.846 41.235 42.059 0.036 0.000 0.933 325 L HN 0.498 nan 8.230 nan 0.000 0.449 326 N N 0.201 118.931 118.700 0.049 0.000 2.207 326 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 326 N C 1.672 177.221 175.510 0.065 0.000 1.020 326 N CA 0.979 54.067 53.050 0.063 0.000 0.858 326 N CB 0.052 38.589 38.487 0.084 0.000 0.991 326 N HN -0.011 nan 8.380 nan 0.000 0.427 327 V N 0.839 120.793 119.914 0.066 0.000 2.667 327 V HA -0.009 4.111 4.120 -0.000 0.000 0.252 327 V C 0.935 177.048 176.094 0.032 0.000 1.065 327 V CA 0.170 62.499 62.300 0.048 0.000 1.083 327 V CB -0.720 31.130 31.823 0.046 0.000 0.692 327 V HN 0.312 nan 8.190 nan 0.000 0.468 328 L N 3.219 124.460 121.223 0.030 0.000 2.737 328 L HA 0.061 4.401 4.340 -0.000 0.000 0.279 328 L C -2.089 174.787 176.870 0.011 0.000 1.200 328 L CA -0.803 54.047 54.840 0.017 0.000 0.952 328 L CB -0.414 41.657 42.059 0.020 0.000 1.240 328 L HN 0.061 nan 8.230 nan 0.000 0.486 329 P HA 0.091 nan 4.420 nan 0.000 0.265 329 P C -1.227 176.070 177.300 -0.004 0.000 1.187 329 P CA 0.235 63.329 63.100 -0.010 0.000 0.766 329 P CB 0.431 32.107 31.700 -0.040 0.000 0.820 330 N N 1.027 119.729 118.700 0.005 0.000 2.431 330 N HA 0.553 5.293 4.740 -0.000 0.000 0.275 330 N C -0.419 175.097 175.510 0.009 0.000 1.091 330 N CA 0.379 53.433 53.050 0.007 0.000 0.922 330 N CB 1.375 39.870 38.487 0.014 0.000 1.666 330 N HN 0.619 nan 8.380 nan 0.000 0.484 331 G N 0.239 109.044 108.800 0.009 0.000 2.508 331 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 331 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 331 G C -1.160 173.744 174.900 0.007 0.000 1.287 331 G CA -0.382 44.722 45.100 0.007 0.000 0.916 331 G HN 0.784 nan 8.290 nan 0.000 0.574 332 V N 1.061 120.972 119.914 -0.004 0.000 2.529 332 V HA 0.279 4.399 4.120 -0.000 0.000 0.292 332 V C 1.666 177.767 176.094 0.011 0.000 1.028 332 V CA 0.626 62.918 62.300 -0.014 0.000 1.074 332 V CB 1.015 32.824 31.823 -0.024 0.000 0.958 332 V HN 0.855 nan 8.190 nan 0.000 0.481 333 V N 4.905 124.836 119.914 0.028 0.000 2.581 333 V HA 0.222 4.342 4.120 -0.000 0.000 0.240 333 V C 0.830 176.968 176.094 0.073 0.000 1.054 333 V CA 0.800 63.139 62.300 0.065 0.000 1.076 333 V CB 0.005 31.882 31.823 0.090 0.000 0.748 333 V HN 0.860 nan 8.190 nan 0.000 0.474 334 R N 0.485 121.015 120.500 0.050 0.000 2.566 334 R HA 0.316 4.656 4.340 -0.000 0.000 0.271 334 R C -1.275 175.025 176.300 0.001 0.000 1.071 334 R CA -0.518 55.601 56.100 0.033 0.000 0.915 334 R CB 1.369 31.698 30.300 0.047 0.000 1.228 334 R HN 0.233 nan 8.270 nan 0.000 0.449 335 N N 0.953 119.648 118.700 -0.009 0.000 2.515 335 N HA 0.081 4.821 4.740 -0.000 0.000 0.279 335 N C -0.755 174.747 175.510 -0.014 0.000 1.164 335 N CA -0.164 52.872 53.050 -0.023 0.000 0.982 335 N CB 1.874 40.350 38.487 -0.019 0.000 1.170 335 N HN 0.468 nan 8.380 nan 0.000 0.474 336 S N 0.061 115.751 115.700 -0.017 0.000 2.548 336 S HA 0.059 4.529 4.470 -0.000 0.000 0.277 336 S C 0.654 175.246 174.600 -0.014 0.000 1.315 336 S CA -0.407 57.786 58.200 -0.011 0.000 1.050 336 S CB 0.382 63.575 63.200 -0.012 0.000 0.918 336 S HN 0.347 nan 8.310 nan 0.000 0.497 337 D N 2.760 123.153 120.400 -0.012 0.000 2.240 337 D HA -0.043 4.597 4.640 -0.000 0.000 0.206 337 D C 2.021 178.313 176.300 -0.014 0.000 0.963 337 D CA 1.224 55.216 54.000 -0.013 0.000 0.863 337 D CB 0.004 40.796 40.800 -0.013 0.000 0.973 337 D HN 0.525 nan 8.370 nan 0.000 0.501 338 V N -0.457 119.448 119.914 -0.015 0.000 2.323 338 V HA 0.045 4.165 4.120 -0.000 0.000 0.244 338 V C 1.286 177.367 176.094 -0.020 0.000 1.041 338 V CA 0.683 62.973 62.300 -0.017 0.000 1.025 338 V CB -0.253 31.559 31.823 -0.017 0.000 0.656 338 V HN -0.082 nan 8.190 nan 0.000 0.451 339 I N 0.498 121.054 120.570 -0.023 0.000 2.577 339 I HA 0.438 4.608 4.170 -0.000 0.000 0.305 339 I C 0.048 176.149 176.117 -0.027 0.000 0.986 339 I CA -0.451 60.832 61.300 -0.029 0.000 1.189 339 I CB 1.752 39.731 38.000 -0.036 0.000 1.355 339 I HN 0.201 nan 8.210 nan 0.000 0.476 340 E N 3.543 123.726 120.200 -0.028 0.000 2.227 340 E HA 0.126 4.476 4.350 -0.000 0.000 0.282 340 E C -0.220 176.360 176.600 -0.034 0.000 1.015 340 E CA -0.269 56.115 56.400 -0.026 0.000 0.823 340 E CB 0.573 30.261 29.700 -0.021 0.000 1.081 340 E HN 0.556 nan 8.360 nan 0.000 0.396 341 N N 2.028 120.707 118.700 -0.036 0.000 2.727 341 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 341 N C -1.892 173.569 175.510 -0.081 0.000 1.048 341 N CA 0.724 53.743 53.050 -0.052 0.000 0.714 341 N CB -0.661 37.796 38.487 -0.049 0.000 0.959 341 N HN 0.150 nan 8.380 nan 0.000 0.544 342 V N -0.163 119.712 119.914 -0.066 0.000 2.531 342 V HA 0.428 4.548 4.120 -0.000 0.000 0.301 342 V C 0.536 176.587 176.094 -0.072 0.000 1.034 342 V CA -1.085 61.172 62.300 -0.072 0.000 0.865 342 V CB 2.052 33.849 31.823 -0.043 0.000 0.995 342 V HN -0.019 nan 8.190 nan 0.000 0.424 343 V N 3.526 123.358 119.914 -0.137 0.000 2.529 343 V HA 0.047 4.167 4.120 -0.000 0.000 0.292 343 V C 1.397 177.432 176.094 -0.099 0.000 1.028 343 V CA 0.582 62.745 62.300 -0.228 0.000 1.074 343 V CB 0.984 32.456 31.823 -0.586 0.000 0.958 343 V HN 1.115 nan 8.190 nan 0.000 0.481 344 E N 3.316 123.507 120.200 -0.016 0.000 2.060 344 E HA -0.034 4.316 4.350 -0.000 0.000 0.189 344 E C 0.241 176.945 176.600 0.174 0.000 0.974 344 E CA 0.934 57.383 56.400 0.082 0.000 0.808 344 E CB 0.393 30.119 29.700 0.043 0.000 0.768 344 E HN 0.748 nan 8.360 nan 0.000 0.453 345 T N 0.283 114.912 114.554 0.125 0.000 2.921 345 T HA 0.403 4.753 4.350 -0.000 0.000 0.297 345 T C -1.030 173.742 174.700 0.120 0.000 1.013 345 T CA -0.539 61.664 62.100 0.173 0.000 0.990 345 T CB 1.726 70.677 68.868 0.138 0.000 1.023 345 T HN 0.250 nan 8.240 nan 0.000 0.447 346 S N 2.493 118.301 115.700 0.180 0.000 2.671 346 S HA 0.935 5.405 4.470 -0.000 0.000 0.277 346 S C -1.438 173.218 174.600 0.092 0.000 1.165 346 S CA -1.004 57.268 58.200 0.120 0.000 0.822 346 S CB 1.518 64.815 63.200 0.162 0.000 1.150 346 S HN 1.045 nan 8.310 nan 0.000 0.479 347 L N -1.407 119.846 121.223 0.050 0.000 2.540 347 L HA 0.966 5.306 4.340 -0.000 0.000 0.256 347 L C -1.085 175.792 176.870 0.013 0.000 1.001 347 L CA -0.597 54.256 54.840 0.022 0.000 0.843 347 L CB 1.598 43.653 42.059 -0.007 0.000 1.436 347 L HN 0.870 nan 8.230 nan 0.000 0.410 348 S N 1.493 117.192 115.700 -0.000 0.000 2.546 348 S HA 0.565 5.035 4.470 -0.000 0.000 0.272 348 S C -1.199 173.396 174.600 -0.009 0.000 1.140 348 S CA -0.661 57.536 58.200 -0.006 0.000 0.920 348 S CB 1.721 64.911 63.200 -0.016 0.000 1.083 348 S HN 0.880 nan 8.310 nan 0.000 0.476 349 I N 4.928 125.497 120.570 -0.002 0.000 2.312 349 I HA 0.591 4.761 4.170 -0.000 0.000 0.291 349 I C 0.965 177.084 176.117 0.003 0.000 1.031 349 I CA -0.015 61.286 61.300 0.003 0.000 1.293 349 I CB 0.659 38.666 38.000 0.012 0.000 1.403 349 I HN 0.837 nan 8.210 nan 0.000 0.484 350 G N 6.590 115.391 108.800 0.001 0.000 2.762 350 G HA2 0.256 4.216 3.960 -0.000 0.000 0.209 350 G HA3 0.256 4.216 3.960 -0.000 0.000 0.209 350 G C 0.049 174.956 174.900 0.012 0.000 1.134 350 G CA 0.207 45.307 45.100 0.001 0.000 0.781 350 G HN 0.440 nan 8.290 nan 0.000 0.528 351 V N 0.347 120.272 119.914 0.018 0.000 2.841 351 V HA 0.656 4.776 4.120 -0.000 0.000 0.310 351 V C -1.444 174.669 176.094 0.032 0.000 1.090 351 V CA -0.897 61.418 62.300 0.025 0.000 0.930 351 V CB 2.243 34.083 31.823 0.028 0.000 1.014 351 V HN 0.085 nan 8.190 nan 0.000 0.425 352 L N 3.342 124.589 121.223 0.040 0.000 2.410 352 L HA 0.780 5.120 4.340 -0.000 0.000 0.270 352 L C -0.765 176.142 176.870 0.062 0.000 0.983 352 L CA -0.147 54.724 54.840 0.052 0.000 0.822 352 L CB 1.685 43.777 42.059 0.055 0.000 1.285 352 L HN 0.799 nan 8.230 nan 0.000 0.409 353 K N 2.321 122.765 120.400 0.074 0.000 2.498 353 K HA 0.586 4.906 4.320 -0.000 0.000 0.254 353 K C -1.325 175.344 176.600 0.116 0.000 0.933 353 K CA -0.530 55.809 56.287 0.086 0.000 0.806 353 K CB 2.123 34.666 32.500 0.072 0.000 1.301 353 K HN 0.601 nan 8.250 nan 0.000 0.432 354 T N 3.006 117.643 114.554 0.139 0.000 2.738 354 T HA 0.226 4.576 4.350 -0.000 0.000 0.298 354 T C -0.572 174.230 174.700 0.170 0.000 0.962 354 T CA -0.238 61.975 62.100 0.190 0.000 0.972 354 T CB 0.777 69.795 68.868 0.251 0.000 0.928 354 T HN 0.502 nan 8.240 nan 0.000 0.474 355 E N 1.551 121.853 120.200 0.169 0.000 2.405 355 E HA 0.290 4.640 4.350 -0.000 0.000 0.249 355 E C -0.666 176.046 176.600 0.187 0.000 1.028 355 E CA -1.055 55.443 56.400 0.163 0.000 0.897 355 E CB 0.708 30.501 29.700 0.156 0.000 1.262 355 E HN 0.416 nan 8.360 nan 0.000 0.442 356 D N 2.075 122.576 120.400 0.169 0.000 2.389 356 D HA 0.029 4.668 4.640 -0.000 0.000 0.263 356 D C -0.309 176.093 176.300 0.169 0.000 1.255 356 D CA 0.643 54.742 54.000 0.165 0.000 0.914 356 D CB -0.036 40.832 40.800 0.113 0.000 1.116 356 D HN 0.376 nan 8.370 nan 0.000 0.502 357 N N 0.940 119.718 118.700 0.131 0.000 2.936 357 N HA -0.239 4.501 4.740 -0.000 0.000 0.236 357 N C -0.736 174.422 175.510 -0.585 0.000 0.930 357 N CA 1.011 53.954 53.050 -0.179 0.000 0.966 357 N CB -1.260 37.093 38.487 -0.224 0.000 1.090 357 N HN 0.342 nan 8.380 nan 0.000 0.592 358 F N -0.828 119.096 119.950 -0.044 0.000 2.613 358 F HA 0.560 5.087 4.527 -0.000 0.000 0.310 358 F C 0.074 175.846 175.800 -0.047 0.000 1.085 358 F CA -0.848 57.112 58.000 -0.066 0.000 0.945 358 F CB 1.670 40.654 39.000 -0.027 0.000 1.298 358 F HN -0.320 nan 8.300 nan 0.000 0.455 359 V N 2.798 122.799 119.914 0.144 0.000 2.394 359 V HA 0.503 4.623 4.120 -0.000 0.000 0.282 359 V C -0.333 175.837 176.094 0.127 0.000 1.031 359 V CA -0.676 61.701 62.300 0.128 0.000 0.881 359 V CB 1.591 33.479 31.823 0.109 0.000 0.982 359 V HN 0.659 nan 8.190 nan 0.000 0.451 360 R N 3.081 123.642 120.500 0.102 0.000 2.387 360 R HA 0.611 4.951 4.340 -0.000 0.000 0.314 360 R C -0.708 175.621 176.300 0.050 0.000 0.958 360 R CA -0.186 55.950 56.100 0.060 0.000 0.846 360 R CB 1.436 31.761 30.300 0.041 0.000 1.147 360 R HN 0.726 nan 8.270 nan 0.000 0.447 361 S N 1.876 117.596 115.700 0.034 0.000 2.473 361 S HA 0.449 4.919 4.470 -0.000 0.000 0.307 361 S C -0.647 173.962 174.600 0.015 0.000 1.094 361 S CA -0.567 57.650 58.200 0.028 0.000 1.070 361 S CB 2.108 65.324 63.200 0.027 0.000 1.019 361 S HN 0.614 nan 8.310 nan 0.000 0.480 365 V N 5.370 125.258 119.914 -0.042 0.000 2.546 365 V HA 0.640 4.760 4.120 -0.000 0.000 0.284 365 V C 0.309 176.359 176.094 -0.074 0.000 1.050 365 V CA -0.388 61.886 62.300 -0.043 0.000 0.981 365 V CB 1.509 33.301 31.823 -0.051 0.000 0.990 365 V HN 0.729 nan 8.190 nan 0.000 0.474 366 R N 2.570 123.049 120.500 -0.035 0.000 2.686 366 R HA 0.799 5.139 4.340 -0.000 0.000 0.286 366 R C -0.861 175.433 176.300 -0.011 0.000 0.969 366 R CA -0.447 55.596 56.100 -0.095 0.000 0.898 366 R CB 2.181 32.377 30.300 -0.174 0.000 1.183 366 R HN 0.707 nan 8.270 nan 0.000 0.456 367 S N 1.356 117.019 115.700 -0.062 0.000 2.547 367 S HA 0.278 4.748 4.470 -0.000 0.000 0.270 367 S C 0.358 174.960 174.600 0.003 0.000 1.150 367 S CA -0.712 57.509 58.200 0.035 0.000 0.850 367 S CB 1.236 64.465 63.200 0.048 0.000 1.118 367 S HN 0.639 nan 8.310 nan 0.000 0.461 368 L N 2.647 123.902 121.223 0.054 0.000 2.291 368 L HA 0.218 4.558 4.340 -0.000 0.000 0.214 368 L C 0.604 177.495 176.870 0.035 0.000 1.120 368 L CA 0.886 55.752 54.840 0.042 0.000 0.799 368 L CB -0.494 41.595 42.059 0.049 0.000 0.925 368 L HN 0.605 nan 8.230 nan 0.000 0.446 369 I N -5.466 115.124 120.570 0.033 0.000 2.646 369 I HA 0.299 4.469 4.170 -0.000 0.000 0.299 369 I C 0.850 176.981 176.117 0.023 0.000 1.036 369 I CA -0.757 60.560 61.300 0.028 0.000 1.074 369 I CB 1.640 39.655 38.000 0.025 0.000 1.258 369 I HN -0.204 nan 8.210 nan 0.000 0.430 370 E N 2.348 122.561 120.200 0.022 0.000 2.110 370 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 370 E C 2.045 178.660 176.600 0.025 0.000 0.988 370 E CA 1.820 58.229 56.400 0.015 0.000 0.804 370 E CB 0.007 29.718 29.700 0.018 0.000 0.745 370 E HN 0.883 nan 8.360 nan 0.000 0.458 371 S N -0.264 115.455 115.700 0.031 0.000 2.453 371 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 371 S C 2.098 176.745 174.600 0.080 0.000 1.005 371 S CA 0.871 59.097 58.200 0.043 0.000 0.949 371 S CB -0.227 62.986 63.200 0.022 0.000 0.774 371 S HN 0.235 nan 8.310 nan 0.000 0.510 372 G N 1.525 110.372 108.800 0.079 0.000 2.403 372 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 372 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 372 G C 1.498 176.479 174.900 0.135 0.000 1.154 372 G CA 0.548 45.729 45.100 0.134 0.000 0.784 372 G HN 0.521 nan 8.290 nan 0.000 0.538 373 K N 0.874 121.311 120.400 0.062 0.000 2.026 373 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 373 K C 3.011 179.626 176.600 0.025 0.000 1.048 373 K CA 1.634 57.931 56.287 0.017 0.000 0.929 373 K CB -0.121 32.362 32.500 -0.028 0.000 0.713 373 K HN 0.435 nan 8.250 nan 0.000 0.439 374 S N -0.141 115.587 115.700 0.047 0.000 2.399 374 S HA -0.210 4.260 4.470 -0.000 0.000 0.231 374 S C 1.993 176.646 174.600 0.088 0.000 1.022 374 S CA 1.034 59.263 58.200 0.049 0.000 0.983 374 S CB -0.624 62.606 63.200 0.050 0.000 0.803 374 S HN 0.438 nan 8.310 nan 0.000 0.480 375 Y N 2.813 123.111 120.300 -0.004 0.000 2.163 375 Y HA -0.008 4.542 4.550 -0.000 0.000 0.288 375 Y C 2.244 178.145 175.900 0.001 0.000 1.136 375 Y CA 1.090 59.190 58.100 -0.000 0.000 1.147 375 Y CB -0.809 37.652 38.460 0.002 0.000 0.987 375 Y HN 0.121 nan 8.280 nan 0.000 0.509 376 V N 0.974 120.743 119.914 -0.242 0.000 2.287 376 V HA -0.332 3.788 4.120 -0.000 0.000 0.248 376 V C 2.782 178.752 176.094 -0.205 0.000 1.053 376 V CA 1.961 64.067 62.300 -0.323 0.000 1.027 376 V CB -1.718 30.017 31.823 -0.145 0.000 0.646 376 V HN 0.572 nan 8.190 nan 0.000 0.447 377 A N -0.790 121.968 122.820 -0.104 0.000 1.940 377 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 377 A C 2.549 180.094 177.584 -0.065 0.000 1.176 377 A CA 2.264 54.261 52.037 -0.066 0.000 0.631 377 A CB -0.796 18.184 19.000 -0.033 0.000 0.814 377 A HN 0.483 nan 8.150 nan 0.000 0.446 378 S N -0.523 115.139 115.700 -0.063 0.000 2.370 378 S HA -0.124 4.346 4.470 -0.000 0.000 0.226 378 S C 1.921 176.474 174.600 -0.078 0.000 1.033 378 S CA 1.515 59.692 58.200 -0.039 0.000 1.011 378 S CB -0.491 62.726 63.200 0.028 0.000 0.852 378 S HN 0.512 nan 8.310 nan 0.000 0.457 379 L N 0.993 122.109 121.223 -0.178 0.000 2.017 379 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 379 L C 2.460 179.271 176.870 -0.098 0.000 1.073 379 L CA 1.258 55.997 54.840 -0.169 0.000 0.745 379 L CB -0.662 41.227 42.059 -0.283 0.000 0.894 379 L HN 0.344 nan 8.230 nan 0.000 0.432 380 L N -0.337 120.829 121.223 -0.096 0.000 2.046 380 L HA -0.233 4.106 4.340 -0.000 0.000 0.208 380 L C 2.610 179.459 176.870 -0.036 0.000 1.077 380 L CA 1.481 56.287 54.840 -0.057 0.000 0.747 380 L CB -0.589 41.438 42.059 -0.053 0.000 0.896 380 L HN 0.236 nan 8.230 nan 0.000 0.432 381 K N -0.386 119.993 120.400 -0.034 0.000 2.147 381 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 381 K C 2.342 178.935 176.600 -0.012 0.000 1.049 381 K CA 1.294 57.570 56.287 -0.019 0.000 0.936 381 K CB -0.072 32.419 32.500 -0.015 0.000 0.722 381 K HN 0.146 nan 8.250 nan 0.000 0.446 382 S N 1.304 116.994 115.700 -0.017 0.000 2.345 382 S HA -0.126 4.344 4.470 -0.000 0.000 0.220 382 S C 1.788 176.384 174.600 -0.006 0.000 1.031 382 S CA 0.921 59.116 58.200 -0.008 0.000 0.996 382 S CB -0.241 62.954 63.200 -0.009 0.000 0.882 382 S HN 0.167 nan 8.310 nan 0.000 0.445 383 L N 2.110 123.326 121.223 -0.012 0.000 1.990 383 L HA -0.131 4.209 4.340 -0.000 0.000 0.213 383 L C 2.403 179.276 176.870 0.004 0.000 1.072 383 L CA 2.193 57.031 54.840 -0.003 0.000 0.755 383 L CB -1.168 40.887 42.059 -0.006 0.000 0.889 383 L HN 0.271 nan 8.230 nan 0.000 0.432 384 A N -1.671 121.150 122.820 0.001 0.000 1.940 384 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 384 A C 2.363 179.954 177.584 0.011 0.000 1.176 384 A CA 2.136 54.178 52.037 0.008 0.000 0.631 384 A CB -0.961 18.042 19.000 0.004 0.000 0.814 384 A HN 0.579 nan 8.150 nan 0.000 0.446 385 S N -0.020 115.684 115.700 0.007 0.000 2.356 385 S HA -0.109 4.361 4.470 -0.000 0.000 0.223 385 S C 1.810 176.415 174.600 0.008 0.000 1.032 385 S CA 1.466 59.670 58.200 0.008 0.000 1.005 385 S CB -0.525 62.678 63.200 0.005 0.000 0.867 385 S HN 0.510 nan 8.310 nan 0.000 0.449 386 L N 0.836 122.064 121.223 0.008 0.000 2.127 386 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 386 L C 2.306 179.182 176.870 0.011 0.000 1.089 386 L CA 1.260 56.105 54.840 0.008 0.000 0.757 386 L CB -0.432 41.632 42.059 0.009 0.000 0.899 386 L HN 0.353 nan 8.230 nan 0.000 0.434 387 A N -1.619 121.209 122.820 0.014 0.000 2.348 387 A HA 0.080 4.400 4.320 -0.000 0.000 0.224 387 A C 0.871 178.463 177.584 0.013 0.000 1.227 387 A CA -0.250 51.797 52.037 0.017 0.000 0.885 387 A CB -0.005 19.008 19.000 0.023 0.000 0.933 387 A HN 0.462 nan 8.150 nan 0.000 0.506 388 Q N -0.804 119.004 119.800 0.013 0.000 2.435 388 Q HA -0.198 4.142 4.340 -0.000 0.000 0.312 388 Q C 0.565 176.584 176.000 0.032 0.000 1.333 388 Q CA 0.392 56.204 55.803 0.016 0.000 0.883 388 Q CB -1.926 26.816 28.738 0.005 0.000 1.170 388 Q HN 0.796 nan 8.270 nan 0.000 0.443 389 G N -0.116 108.706 108.800 0.038 0.000 3.075 389 G HA2 0.683 4.643 3.960 -0.000 0.000 0.253 389 G HA3 0.683 4.643 3.960 -0.000 0.000 0.253 389 G C -0.591 174.334 174.900 0.041 0.000 1.353 389 G CA -0.545 44.591 45.100 0.061 0.000 1.051 389 G HN 0.152 nan 8.290 nan 0.000 0.553 390 N N -0.655 118.062 118.700 0.029 0.000 2.277 390 N HA 0.371 5.111 4.740 -0.000 0.000 0.286 390 N C -1.354 174.145 175.510 -0.019 0.000 1.140 390 N CA -0.512 52.537 53.050 -0.001 0.000 0.799 390 N CB 2.523 41.001 38.487 -0.014 0.000 1.596 390 N HN 0.135 nan 8.380 nan 0.000 0.473 391 I N 1.856 122.413 120.570 -0.020 0.000 2.359 391 I HA 0.300 4.470 4.170 -0.000 0.000 0.294 391 I C -0.138 175.960 176.117 -0.031 0.000 0.987 391 I CA -0.422 60.863 61.300 -0.025 0.000 1.225 391 I CB 0.795 38.783 38.000 -0.021 0.000 1.366 391 I HN 0.339 nan 8.210 nan 0.000 0.466 392 N N 6.637 125.316 118.700 -0.035 0.000 2.407 392 N HA 0.535 5.275 4.740 -0.000 0.000 0.277 392 N C -1.052 174.443 175.510 -0.024 0.000 0.995 392 N CA -0.559 52.471 53.050 -0.033 0.000 0.903 392 N CB 2.082 40.542 38.487 -0.045 0.000 1.218 392 N HN 0.383 nan 8.380 nan 0.000 0.487 393 L N 2.045 123.257 121.223 -0.019 0.000 2.295 393 L HA 0.638 4.978 4.340 -0.000 0.000 0.285 393 L C 0.140 177.006 176.870 -0.007 0.000 1.035 393 L CA -0.401 54.430 54.840 -0.014 0.000 0.806 393 L CB 1.131 43.181 42.059 -0.015 0.000 1.214 393 L HN 0.639 nan 8.230 nan 0.000 0.426 394 S N -0.002 115.698 115.700 0.000 0.000 2.656 394 S HA 0.714 5.184 4.470 -0.000 0.000 0.273 394 S C 0.226 174.843 174.600 0.029 0.000 1.168 394 S CA -0.198 58.011 58.200 0.014 0.000 0.817 394 S CB 1.615 64.825 63.200 0.016 0.000 1.146 394 S HN 1.074 nan 8.310 nan 0.000 0.475 395 G N 0.671 109.502 108.800 0.052 0.000 2.273 395 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.280 395 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.280 395 G C -0.427 174.540 174.900 0.112 0.000 1.047 395 G CA 0.375 45.533 45.100 0.096 0.000 0.869 395 G HN 1.041 nan 8.290 nan 0.000 0.502 396 D N 0.142 120.580 120.400 0.063 0.000 2.348 396 D HA 0.520 5.160 4.640 -0.000 0.000 0.253 396 D C 0.415 176.775 176.300 0.100 0.000 1.161 396 D CA -0.048 53.958 54.000 0.010 0.000 0.876 396 D CB 0.155 40.953 40.800 -0.004 0.000 1.160 396 D HN 0.551 nan 8.370 nan 0.000 0.459 397 Y N 1.092 121.401 120.300 0.015 0.000 2.553 397 Y HA 0.736 5.286 4.550 -0.000 0.000 0.347 397 Y C -2.918 172.997 175.900 0.026 0.000 1.019 397 Y CA -2.931 55.180 58.100 0.018 0.000 1.032 397 Y CB 1.053 39.522 38.460 0.014 0.000 1.284 397 Y HN 0.142 nan 8.280 nan 0.000 0.466 398 P HA 0.349 nan 4.420 nan 0.000 0.279 398 P C 0.078 177.506 177.300 0.214 0.000 1.252 398 P CA -0.064 63.120 63.100 0.140 0.000 0.811 398 P CB 1.489 33.265 31.700 0.126 0.000 1.035 399 G N -0.031 108.860 108.800 0.152 0.000 2.563 399 G HA2 0.277 4.236 3.960 -0.000 0.000 0.283 399 G HA3 0.277 4.236 3.960 -0.000 0.000 0.283 399 G C -1.585 173.489 174.900 0.290 0.000 1.309 399 G CA -0.340 44.879 45.100 0.198 0.000 1.022 399 G HN 0.511 nan 8.290 nan 0.000 0.501 400 W N 0.432 121.769 121.300 0.061 0.000 2.336 400 W HA 0.557 5.217 4.660 0.000 0.000 0.315 400 W C -0.398 176.147 176.519 0.042 0.000 1.016 400 W CA -1.506 55.873 57.345 0.055 0.000 1.318 400 W CB 0.908 30.403 29.460 0.058 0.000 1.247 400 W HN 0.357 nan 8.180 nan 0.000 0.414 401 E N 6.340 126.587 120.200 0.078 0.000 2.259 401 E HA 0.298 4.648 4.350 -0.000 0.000 0.281 401 E C -2.128 174.318 176.600 -0.257 0.000 1.037 401 E CA -1.708 54.650 56.400 -0.071 0.000 0.854 401 E CB 0.901 30.616 29.700 0.024 0.000 1.051 401 E HN 0.281 nan 8.360 nan 0.000 0.409 402 P HA -0.016 nan 4.420 nan 0.000 0.264 402 P C -0.215 176.996 177.300 -0.148 0.000 1.183 402 P CA 0.391 63.302 63.100 -0.314 0.000 0.763 402 P CB 0.332 31.902 31.700 -0.217 0.000 0.807 403 Q N 1.025 120.762 119.800 -0.105 0.000 2.454 403 Q HA 0.042 4.382 4.340 -0.000 0.000 0.247 403 Q C 1.593 177.593 176.000 0.001 0.000 1.028 403 Q CA 0.246 56.046 55.803 -0.005 0.000 0.910 403 Q CB 0.377 29.138 28.738 0.039 0.000 1.276 403 Q HN 0.547 nan 8.270 nan 0.000 0.489 404 S N 0.711 116.435 115.700 0.040 0.000 2.368 404 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 404 S C 0.482 175.153 174.600 0.119 0.000 1.029 404 S CA 0.961 59.196 58.200 0.059 0.000 0.988 404 S CB 0.039 63.275 63.200 0.061 0.000 0.838 404 S HN 0.759 nan 8.310 nan 0.000 0.462 405 H N -0.414 118.662 119.070 0.010 0.000 3.012 405 H HA 0.575 5.131 4.556 -0.000 0.000 0.367 405 H C -1.939 173.403 175.328 0.024 0.000 1.211 405 H CA -0.375 55.681 56.048 0.012 0.000 1.139 405 H CB 1.956 31.725 29.762 0.012 0.000 1.838 405 H HN 0.276 nan 8.280 nan 0.000 0.550 406 S N 2.826 118.162 115.700 -0.607 0.000 2.668 406 S HA 0.167 4.637 4.470 -0.000 0.000 0.277 406 S C -0.083 174.261 174.600 -0.427 0.000 1.170 406 S CA -0.670 57.328 58.200 -0.337 0.000 0.994 406 S CB 1.152 64.270 63.200 -0.136 0.000 1.051 406 S HN 0.696 nan 8.310 nan 0.000 0.484 407 D N 3.319 123.595 120.400 -0.206 0.000 2.144 407 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 407 D C 1.722 177.990 176.300 -0.053 0.000 0.978 407 D CA 0.767 54.719 54.000 -0.081 0.000 0.833 407 D CB 0.080 40.896 40.800 0.026 0.000 0.961 407 D HN 0.550 nan 8.370 nan 0.000 0.470 408 I N 1.028 121.576 120.570 -0.037 0.000 2.394 408 I HA -0.165 4.005 4.170 -0.000 0.000 0.251 408 I C 1.967 178.076 176.117 -0.014 0.000 1.136 408 I CA 0.635 61.926 61.300 -0.015 0.000 1.425 408 I CB -0.299 37.704 38.000 0.005 0.000 1.079 408 I HN -0.102 nan 8.210 nan 0.000 0.425 409 L N 0.471 121.675 121.223 -0.031 0.000 2.056 409 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 409 L C 2.020 178.873 176.870 -0.028 0.000 1.078 409 L CA 1.885 56.712 54.840 -0.022 0.000 0.749 409 L CB -1.107 40.923 42.059 -0.048 0.000 0.901 409 L HN 0.205 nan 8.230 nan 0.000 0.433 410 D N -0.292 120.072 120.400 -0.060 0.000 2.106 410 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 410 D C 2.164 178.456 176.300 -0.015 0.000 0.997 410 D CA 1.811 55.791 54.000 -0.034 0.000 0.834 410 D CB -0.445 40.339 40.800 -0.028 0.000 0.956 410 D HN 0.331 nan 8.370 nan 0.000 0.448 411 L N 0.816 122.030 121.223 -0.016 0.000 2.027 411 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 411 L C 2.161 179.020 176.870 -0.018 0.000 1.074 411 L CA 1.852 56.682 54.840 -0.017 0.000 0.745 411 L CB -1.120 40.931 42.059 -0.012 0.000 0.898 411 L HN -0.047 nan 8.230 nan 0.000 0.433 412 T N -0.372 114.179 114.554 -0.005 0.000 2.759 412 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 412 T C 1.936 176.678 174.700 0.069 0.000 1.042 412 T CA 1.761 63.869 62.100 0.013 0.000 1.140 412 T CB -0.164 68.729 68.868 0.042 0.000 0.864 412 T HN 0.318 nan 8.240 nan 0.000 0.455 413 K N 0.281 120.716 120.400 0.059 0.000 2.026 413 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 413 K C 2.540 179.173 176.600 0.054 0.000 1.048 413 K CA 1.468 57.796 56.287 0.069 0.000 0.929 413 K CB -0.274 32.243 32.500 0.027 0.000 0.713 413 K HN 0.211 nan 8.250 nan 0.000 0.439 414 T N 1.970 116.532 114.554 0.013 0.000 2.665 414 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 414 T C 1.774 176.461 174.700 -0.022 0.000 1.035 414 T CA 1.412 63.504 62.100 -0.013 0.000 1.151 414 T CB -0.092 68.751 68.868 -0.041 0.000 0.862 414 T HN 0.123 nan 8.240 nan 0.000 0.438 415 I N -0.277 120.270 120.570 -0.038 0.000 2.252 415 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 415 I C 2.195 178.306 176.117 -0.011 0.000 1.102 415 I CA 1.297 62.553 61.300 -0.073 0.000 1.385 415 I CB -1.185 36.740 38.000 -0.125 0.000 1.064 415 I HN 0.221 nan 8.210 nan 0.000 0.414 416 Y N 1.809 122.079 120.300 -0.051 0.000 2.181 416 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 416 Y C 2.700 178.582 175.900 -0.030 0.000 1.146 416 Y CA 1.257 59.335 58.100 -0.036 0.000 1.164 416 Y CB -0.653 37.790 38.460 -0.028 0.000 0.982 416 Y HN 0.139 nan 8.280 nan 0.000 0.515 417 A N -0.492 122.422 122.820 0.158 0.000 1.933 417 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 417 A C 2.132 179.745 177.584 0.048 0.000 1.175 417 A CA 1.714 53.795 52.037 0.072 0.000 0.628 417 A CB -0.608 18.412 19.000 0.033 0.000 0.814 417 A HN 0.586 nan 8.150 nan 0.000 0.444 418 Q N -0.640 119.176 119.800 0.028 0.000 2.084 418 Q HA -0.104 4.235 4.340 -0.000 0.000 0.202 418 Q C 2.125 178.135 176.000 0.017 0.000 0.978 418 Q CA 1.675 57.479 55.803 0.002 0.000 0.844 418 Q CB -0.265 28.450 28.738 -0.038 0.000 0.898 418 Q HN 0.504 nan 8.270 nan 0.000 0.426 419 V N 0.685 120.620 119.914 0.035 0.000 2.379 419 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 419 V C 2.068 178.208 176.094 0.078 0.000 1.044 419 V CA 1.325 63.650 62.300 0.042 0.000 1.036 419 V CB -0.296 31.537 31.823 0.017 0.000 0.664 419 V HN 0.330 nan 8.190 nan 0.000 0.453 420 L N -0.240 121.054 121.223 0.119 0.000 2.131 420 L HA 0.179 4.519 4.340 -0.000 0.000 0.206 420 L C 2.046 178.947 176.870 0.052 0.000 1.087 420 L CA 1.304 56.202 54.840 0.098 0.000 0.767 420 L CB -0.538 41.580 42.059 0.097 0.000 0.917 420 L HN 0.568 nan 8.230 nan 0.000 0.441 421 G N -0.006 108.818 108.800 0.041 0.000 2.199 421 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 421 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 421 G C 0.431 175.339 174.900 0.014 0.000 0.982 421 G CA 0.447 45.561 45.100 0.023 0.000 0.632 421 G HN 0.436 nan 8.290 nan 0.000 0.529 422 T N -1.450 113.110 114.554 0.011 0.000 2.916 422 T HA 0.626 4.976 4.350 -0.000 0.000 0.292 422 T C -0.903 173.788 174.700 -0.015 0.000 1.064 422 T CA -0.547 61.550 62.100 -0.004 0.000 1.011 422 T CB 2.536 71.398 68.868 -0.011 0.000 1.152 422 T HN -0.008 nan 8.240 nan 0.000 0.510 423 D N 2.927 123.313 120.400 -0.024 0.000 2.382 423 D HA 0.343 4.983 4.640 -0.000 0.000 0.245 423 D C -1.752 174.499 176.300 -0.082 0.000 1.120 423 D CA -0.755 53.224 54.000 -0.036 0.000 0.890 423 D CB 0.783 41.567 40.800 -0.027 0.000 1.201 423 D HN 0.437 nan 8.370 nan 0.000 0.433 424 P HA 0.223 nan 4.420 nan 0.000 0.278 424 P C -0.676 176.534 177.300 -0.150 0.000 1.258 424 P CA -0.513 62.442 63.100 -0.242 0.000 0.811 424 P CB 1.241 32.698 31.700 -0.404 0.000 1.063 425 E N 0.548 120.655 120.200 -0.154 0.000 2.227 425 E HA 0.384 4.734 4.350 -0.000 0.000 0.282 425 E C -0.353 176.216 176.600 -0.052 0.000 1.015 425 E CA -0.564 55.790 56.400 -0.078 0.000 0.823 425 E CB 0.864 30.534 29.700 -0.050 0.000 1.081 425 E HN 0.366 nan 8.360 nan 0.000 0.396 426 I N 3.745 124.307 120.570 -0.015 0.000 2.312 426 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 426 I C -0.038 176.106 176.117 0.045 0.000 1.008 426 I CA -0.254 61.055 61.300 0.015 0.000 1.226 426 I CB 0.690 38.688 38.000 -0.004 0.000 1.371 426 I HN 0.295 nan 8.210 nan 0.000 0.468 427 K N 4.989 125.466 120.400 0.129 0.000 2.466 427 K HA 0.747 5.067 4.320 -0.000 0.000 0.260 427 K C -1.283 175.354 176.600 0.061 0.000 1.011 427 K CA -0.902 55.457 56.287 0.120 0.000 0.871 427 K CB 3.025 35.658 32.500 0.222 0.000 1.404 427 K HN 0.338 nan 8.250 nan 0.000 0.450 428 V N -0.435 119.427 119.914 -0.087 0.000 2.715 428 V HA 0.630 4.750 4.120 -0.000 0.000 0.310 428 V C -0.706 175.201 176.094 -0.311 0.000 1.054 428 V CA -0.751 61.430 62.300 -0.198 0.000 0.928 428 V CB 1.496 33.224 31.823 -0.159 0.000 1.007 428 V HN 0.779 nan 8.190 nan 0.000 0.437 429 I N 3.454 123.767 120.570 -0.428 0.000 2.437 429 I HA 0.502 4.672 4.170 -0.000 0.000 0.298 429 I C -0.279 175.782 176.117 -0.093 0.000 0.984 429 I CA -0.869 60.194 61.300 -0.395 0.000 1.214 429 I CB 1.499 39.103 38.000 -0.661 0.000 1.365 429 I HN 1.022 nan 8.210 nan 0.000 0.469 430 H N 6.640 125.656 119.070 -0.090 0.000 2.680 430 H HA 0.649 5.205 4.556 -0.000 0.000 0.224 430 H C -0.638 174.736 175.328 0.076 0.000 1.866 430 H CA 0.178 56.227 56.048 0.002 0.000 1.302 430 H CB -0.120 29.648 29.762 0.011 0.000 1.709 430 H HN 0.642 nan 8.280 nan 0.000 0.537 431 A N 0.891 123.702 122.820 -0.014 0.000 2.557 431 A HA 0.618 4.938 4.320 -0.000 0.000 0.292 431 A C -0.322 177.327 177.584 0.107 0.000 1.139 431 A CA -0.449 51.643 52.037 0.092 0.000 0.665 431 A CB 0.425 19.525 19.000 0.166 0.000 1.285 431 A HN 0.518 nan 8.150 nan 0.000 0.433 432 G N 0.277 109.183 108.800 0.175 0.000 2.327 432 G HA2 0.547 4.507 3.960 -0.000 0.000 0.302 432 G HA3 0.547 4.507 3.960 -0.000 0.000 0.302 432 G C -0.449 174.480 174.900 0.049 0.000 1.113 432 G CA -0.167 45.029 45.100 0.159 0.000 0.921 432 G HN 0.595 nan 8.290 nan 0.000 0.425 433 L N 1.496 122.759 121.223 0.067 0.000 2.358 433 L HA 0.385 4.725 4.340 -0.000 0.000 0.268 433 L C 1.138 177.955 176.870 -0.088 0.000 1.032 433 L CA -0.769 54.078 54.840 0.012 0.000 0.805 433 L CB 2.044 44.153 42.059 0.083 0.000 1.253 433 L HN 0.574 nan 8.230 nan 0.000 0.452 434 E N -0.273 119.845 120.200 -0.137 0.000 2.482 434 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 434 E C 1.637 178.115 176.600 -0.203 0.000 1.047 434 E CA 0.281 56.583 56.400 -0.164 0.000 0.869 434 E CB 0.013 29.634 29.700 -0.132 0.000 0.836 434 E HN 0.629 nan 8.360 nan 0.000 0.520 435 C N 0.536 119.622 119.300 -0.356 0.000 2.425 435 C HA -0.097 4.363 4.460 -0.000 0.000 0.277 435 C C 2.718 177.411 174.990 -0.496 0.000 1.280 435 C CA 1.171 59.766 59.018 -0.704 0.000 1.744 435 C CB -1.174 25.503 27.740 -1.771 0.000 1.989 435 C HN 0.668 nan 8.230 nan 0.000 0.491 436 G N 0.248 108.945 108.800 -0.173 0.000 2.418 436 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 436 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 436 G C 1.561 176.493 174.900 0.052 0.000 1.158 436 G CA 0.637 45.784 45.100 0.078 0.000 0.771 436 G HN 0.523 nan 8.290 nan 0.000 0.545 437 L N -0.161 121.075 121.223 0.021 0.000 2.093 437 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 437 L C 2.893 179.781 176.870 0.029 0.000 1.085 437 L CA 0.476 55.334 54.840 0.030 0.000 0.755 437 L CB -0.277 41.786 42.059 0.008 0.000 0.904 437 L HN 0.197 nan 8.230 nan 0.000 0.435 438 L N -0.506 120.709 121.223 -0.013 0.000 2.044 438 L HA -0.191 4.148 4.340 -0.000 0.000 0.205 438 L C 2.579 179.506 176.870 0.096 0.000 1.075 438 L CA 1.000 55.866 54.840 0.043 0.000 0.747 438 L CB -0.426 41.599 42.059 -0.056 0.000 0.903 438 L HN 0.137 nan 8.230 nan 0.000 0.435 439 K N 0.718 121.130 120.400 0.021 0.000 2.211 439 K HA -0.178 4.142 4.320 -0.000 0.000 0.203 439 K C 2.104 178.764 176.600 0.099 0.000 1.050 439 K CA 1.207 57.546 56.287 0.086 0.000 0.945 439 K CB -0.073 32.493 32.500 0.110 0.000 0.732 439 K HN 0.020 nan 8.250 nan 0.000 0.451 440 K N 0.326 120.772 120.400 0.077 0.000 2.057 440 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 440 K C 1.713 178.323 176.600 0.017 0.000 1.049 440 K CA 1.697 58.018 56.287 0.056 0.000 0.931 440 K CB -0.069 32.463 32.500 0.054 0.000 0.714 440 K HN 0.232 nan 8.250 nan 0.000 0.440 441 I N -0.818 119.758 120.570 0.011 0.000 2.852 441 I HA -0.123 4.047 4.170 -0.000 0.000 0.264 441 I C 0.262 176.169 176.117 -0.350 0.000 1.179 441 I CA 0.467 61.683 61.300 -0.140 0.000 1.480 441 I CB 0.275 38.221 38.000 -0.090 0.000 1.111 441 I HN 0.011 nan 8.210 nan 0.000 0.441 442 Y N 0.154 120.473 120.300 0.031 0.000 2.470 442 Y HA 0.302 4.852 4.550 -0.000 0.000 0.352 442 Y C -1.878 174.041 175.900 0.033 0.000 0.967 442 Y CA -1.924 56.193 58.100 0.029 0.000 1.121 442 Y CB 0.033 38.504 38.460 0.018 0.000 1.149 442 Y HN -0.053 nan 8.280 nan 0.000 0.641 443 P HA -0.199 nan 4.420 nan 0.000 0.217 443 P C 1.638 179.006 177.300 0.113 0.000 1.148 443 P CA 2.115 65.279 63.100 0.106 0.000 0.828 443 P CB 0.124 31.865 31.700 0.068 0.000 0.783 444 T N -4.376 110.246 114.554 0.113 0.000 3.113 444 T HA 0.090 4.440 4.350 -0.000 0.000 0.256 444 T C 0.789 175.547 174.700 0.097 0.000 1.131 444 T CA 0.047 62.205 62.100 0.097 0.000 1.074 444 T CB -0.799 68.120 68.868 0.084 0.000 0.944 444 T HN -0.029 nan 8.240 nan 0.000 0.516 445 I N 2.700 123.339 120.570 0.115 0.000 2.496 445 I HA 0.244 4.414 4.170 -0.000 0.000 0.285 445 I C 0.571 176.734 176.117 0.077 0.000 1.080 445 I CA -0.505 60.838 61.300 0.072 0.000 1.404 445 I CB 0.685 38.706 38.000 0.035 0.000 1.403 445 I HN 0.158 nan 8.210 nan 0.000 0.539 449 S N 4.347 120.270 115.700 0.372 0.000 2.532 449 S HA 0.905 5.375 4.470 -0.000 0.000 0.299 449 S C -0.833 173.869 174.600 0.169 0.000 1.105 449 S CA -0.226 58.127 58.200 0.254 0.000 1.018 449 S CB 1.099 64.523 63.200 0.373 0.000 1.021 449 S HN 1.162 nan 8.310 nan 0.000 0.483 450 I N 0.780 121.420 120.570 0.117 0.000 3.279 450 I HA 1.055 5.225 4.170 -0.000 0.000 0.315 450 I C -0.131 176.017 176.117 0.052 0.000 1.187 450 I CA -1.144 60.219 61.300 0.105 0.000 0.953 450 I CB 1.811 39.929 38.000 0.197 0.000 1.279 450 I HN 0.859 nan 8.210 nan 0.000 0.465 451 G N 1.118 109.920 108.800 0.003 0.000 2.358 451 G HA2 0.427 4.387 3.960 -0.000 0.000 0.301 451 G HA3 0.427 4.387 3.960 -0.000 0.000 0.301 451 G C -3.495 171.258 174.900 -0.245 0.000 1.539 451 G CA -0.693 44.205 45.100 -0.337 0.000 0.893 451 G HN 0.557 nan 8.290 nan 0.000 0.636 452 P HA 0.353 nan 4.420 nan 0.000 0.276 452 P C 0.101 177.347 177.300 -0.090 0.000 1.261 452 P CA -0.038 62.967 63.100 -0.159 0.000 0.800 452 P CB 0.583 32.159 31.700 -0.206 0.000 1.066 453 T N 1.615 116.161 114.554 -0.014 0.000 2.769 453 T HA 0.295 4.645 4.350 -0.000 0.000 0.293 453 T C 0.385 175.132 174.700 0.077 0.000 0.931 453 T CA 0.371 62.490 62.100 0.031 0.000 1.139 453 T CB -0.871 68.015 68.868 0.031 0.000 0.881 453 T HN 0.174 nan 8.240 nan 0.000 0.532 454 I N 3.800 124.426 120.570 0.093 0.000 2.436 454 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 454 I C 0.261 176.480 176.117 0.170 0.000 1.010 454 I CA -1.101 60.284 61.300 0.141 0.000 1.098 454 I CB 1.570 39.605 38.000 0.060 0.000 1.266 454 I HN 0.231 nan 8.210 nan 0.000 0.434 455 R N 4.989 125.623 120.500 0.223 0.000 2.474 455 R HA 0.367 4.707 4.340 -0.000 0.000 0.295 455 R C -0.068 176.287 176.300 0.092 0.000 0.980 455 R CA -0.654 55.528 56.100 0.136 0.000 0.934 455 R CB 1.063 31.406 30.300 0.072 0.000 1.101 455 R HN 0.676 nan 8.270 nan 0.000 0.469 456 N N -0.413 118.331 118.700 0.074 0.000 2.738 456 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 456 N C -0.357 175.220 175.510 0.110 0.000 1.047 456 N CA 1.048 54.142 53.050 0.074 0.000 0.707 456 N CB -1.173 37.336 38.487 0.038 0.000 0.937 456 N HN 0.741 nan 8.380 nan 0.000 0.545 457 A N -0.873 122.034 122.820 0.144 0.000 2.386 457 A HA 0.381 4.701 4.320 -0.000 0.000 0.246 457 A C 1.183 178.968 177.584 0.335 0.000 1.089 457 A CA 1.075 53.228 52.037 0.194 0.000 0.790 457 A CB -0.012 19.110 19.000 0.202 0.000 1.042 457 A HN 0.643 nan 8.150 nan 0.000 0.497 458 H N -1.508 117.602 119.070 0.067 0.000 4.158 458 H HA -0.186 4.370 4.556 -0.000 0.000 0.150 458 H C 0.483 175.849 175.328 0.063 0.000 0.823 458 H CA 1.477 57.569 56.048 0.074 0.000 1.252 458 H CB -2.034 27.793 29.762 0.108 0.000 0.889 458 H HN 1.094 nan 8.280 nan 0.000 0.437 459 S N -1.434 114.363 115.700 0.163 0.000 2.600 459 S HA 0.569 5.039 4.470 -0.000 0.000 0.300 459 S C -2.247 172.398 174.600 0.074 0.000 1.087 459 S CA -1.294 56.969 58.200 0.106 0.000 0.965 459 S CB 3.279 66.536 63.200 0.095 0.000 1.089 459 S HN -0.164 nan 8.310 nan 0.000 0.496 460 P HA 0.029 nan 4.420 nan 0.000 0.231 460 P C 0.051 177.378 177.300 0.046 0.000 1.158 460 P CA 0.827 63.957 63.100 0.050 0.000 0.763 460 P CB -0.123 31.603 31.700 0.044 0.000 0.805 461 D N -0.577 119.848 120.400 0.041 0.000 2.363 461 D HA -0.051 4.589 4.640 -0.000 0.000 0.226 461 D C 0.564 176.879 176.300 0.024 0.000 1.020 461 D CA 0.367 54.380 54.000 0.021 0.000 0.892 461 D CB -0.440 40.366 40.800 0.009 0.000 0.900 461 D HN 0.327 nan 8.370 nan 0.000 0.531 462 E N 1.262 121.493 120.200 0.051 0.000 2.406 462 E HA 0.250 4.600 4.350 -0.000 0.000 0.258 462 E C -0.028 176.623 176.600 0.086 0.000 1.043 462 E CA 0.132 56.577 56.400 0.074 0.000 0.929 462 E CB 0.173 29.924 29.700 0.086 0.000 0.969 462 E HN 0.059 nan 8.360 nan 0.000 0.462 463 K N 2.905 123.377 120.400 0.121 0.000 2.318 463 K HA 0.537 4.857 4.320 -0.000 0.000 0.249 463 K C -1.307 175.546 176.600 0.421 0.000 0.942 463 K CA -0.577 55.852 56.287 0.236 0.000 0.808 463 K CB 2.264 34.814 32.500 0.083 0.000 1.189 463 K HN 0.329 nan 8.250 nan 0.000 0.428 464 V N 2.940 123.129 119.914 0.458 0.000 2.483 464 V HA 0.414 4.534 4.120 -0.000 0.000 0.297 464 V C -1.040 175.119 176.094 0.108 0.000 1.027 464 V CA -0.719 61.748 62.300 0.279 0.000 0.855 464 V CB 1.120 32.993 31.823 0.083 0.000 0.995 464 V HN 0.996 nan 8.190 nan 0.000 0.424 465 H N 5.566 124.377 119.070 -0.432 0.000 3.026 465 H HA 0.300 4.856 4.556 -0.000 0.000 0.289 465 H C 1.003 176.080 175.328 -0.417 0.000 1.022 465 H CA 0.590 56.023 56.048 -1.024 0.000 1.477 465 H CB 0.831 29.973 29.762 -1.034 0.000 1.510 465 H HN 0.696 nan 8.280 nan 0.000 0.535 466 I N 7.098 127.300 120.570 -0.613 0.000 2.142 466 I HA -0.170 4.000 4.170 -0.000 0.000 0.240 466 I C -0.471 175.517 176.117 -0.216 0.000 1.078 466 I CA 0.761 61.895 61.300 -0.277 0.000 1.343 466 I CB -0.917 36.879 38.000 -0.340 0.000 1.046 466 I HN 0.618 nan 8.210 nan 0.000 0.405 467 P HA -0.098 nan 4.420 nan 0.000 0.221 467 P C 1.316 178.586 177.300 -0.050 0.000 1.150 467 P CA 1.527 64.510 63.100 -0.196 0.000 0.800 467 P CB -0.007 31.551 31.700 -0.236 0.000 0.787 468 A N 0.152 122.946 122.820 -0.043 0.000 1.972 468 A HA -0.092 4.227 4.320 -0.000 0.000 0.219 468 A C 2.354 180.003 177.584 0.108 0.000 1.169 468 A CA 1.556 53.645 52.037 0.088 0.000 0.635 468 A CB -1.565 17.503 19.000 0.112 0.000 0.810 468 A HN 0.081 nan 8.150 nan 0.000 0.446 469 V N -0.157 119.803 119.914 0.076 0.000 2.427 469 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 469 V C 2.547 178.772 176.094 0.219 0.000 1.051 469 V CA 1.904 64.275 62.300 0.117 0.000 1.048 469 V CB -0.629 31.217 31.823 0.039 0.000 0.666 469 V HN 0.497 nan 8.190 nan 0.000 0.456 470 E N 0.448 120.755 120.200 0.178 0.000 2.047 470 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 470 E C 2.406 179.123 176.600 0.196 0.000 0.987 470 E CA 1.865 58.376 56.400 0.185 0.000 0.799 470 E CB -0.417 29.354 29.700 0.119 0.000 0.752 470 E HN 0.568 nan 8.360 nan 0.000 0.449 471 T N 0.792 115.437 114.554 0.153 0.000 2.720 471 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 471 T C 1.685 176.439 174.700 0.091 0.000 1.037 471 T CA 1.550 63.727 62.100 0.127 0.000 1.144 471 T CB -0.550 68.413 68.868 0.159 0.000 0.864 471 T HN 0.280 nan 8.240 nan 0.000 0.444 472 Y N 0.763 121.079 120.300 0.027 0.000 2.114 472 Y HA -0.211 4.339 4.550 -0.000 0.000 0.282 472 Y C 2.321 178.208 175.900 -0.022 0.000 1.165 472 Y CA 1.363 59.441 58.100 -0.037 0.000 1.148 472 Y CB -0.576 37.880 38.460 -0.007 0.000 0.972 472 Y HN 0.391 nan 8.280 nan 0.000 0.504 473 W N 1.452 122.584 121.300 -0.280 0.000 2.333 473 W HA -0.291 4.369 4.660 -0.000 0.000 0.316 473 W C 2.185 178.527 176.519 -0.295 0.000 1.215 473 W CA 2.543 59.679 57.345 -0.349 0.000 1.278 473 W CB -0.491 28.890 29.460 -0.132 0.000 1.154 473 W HN -0.033 nan 8.180 nan 0.000 0.486 474 K N 0.245 120.577 120.400 -0.113 0.000 2.113 474 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 474 K C 1.676 178.088 176.600 -0.314 0.000 1.047 474 K CA 1.577 57.745 56.287 -0.198 0.000 0.928 474 K CB -1.216 31.259 32.500 -0.041 0.000 0.716 474 K HN 0.318 nan 8.250 nan 0.000 0.446 475 V N 0.648 120.339 119.914 -0.372 0.000 2.307 475 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 475 V C 2.217 178.023 176.094 -0.481 0.000 1.045 475 V CA 1.760 63.778 62.300 -0.469 0.000 1.024 475 V CB -0.559 30.793 31.823 -0.784 0.000 0.651 475 V HN 0.292 nan 8.190 nan 0.000 0.449 476 L N 0.962 121.808 121.223 -0.628 0.000 1.971 476 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 476 L C 2.799 179.344 176.870 -0.541 0.000 1.072 476 L CA 3.099 57.562 54.840 -0.628 0.000 0.758 476 L CB -1.208 40.325 42.059 -0.878 0.000 0.889 476 L HN 0.617 nan 8.230 nan 0.000 0.433 477 T N -3.444 110.685 114.554 -0.708 0.000 2.788 477 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 477 T C 1.981 176.489 174.700 -0.319 0.000 1.044 477 T CA 0.955 62.699 62.100 -0.594 0.000 1.139 477 T CB -1.606 66.780 68.868 -0.802 0.000 0.867 477 T HN 0.433 nan 8.240 nan 0.000 0.454 478 G N 1.577 110.216 108.800 -0.267 0.000 2.440 478 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 478 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 478 G C 1.555 176.456 174.900 0.002 0.000 1.154 478 G CA 0.881 45.928 45.100 -0.089 0.000 0.767 478 G HN 0.575 nan 8.290 nan 0.000 0.552 479 I N 0.228 120.727 120.570 -0.119 0.000 2.202 479 I HA -0.115 4.055 4.170 -0.000 0.000 0.242 479 I C 2.741 178.821 176.117 -0.061 0.000 1.091 479 I CA 0.638 61.889 61.300 -0.081 0.000 1.368 479 I CB -0.233 37.686 38.000 -0.134 0.000 1.058 479 I HN 0.129 nan 8.210 nan 0.000 0.410 480 L N 0.616 121.762 121.223 -0.129 0.000 2.042 480 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 480 L C 2.810 179.615 176.870 -0.108 0.000 1.076 480 L CA 1.415 56.187 54.840 -0.113 0.000 0.749 480 L CB -0.753 41.220 42.059 -0.143 0.000 0.893 480 L HN 0.248 nan 8.230 nan 0.000 0.432 481 A N -0.886 121.846 122.820 -0.148 0.000 2.076 481 A HA -0.215 4.104 4.320 -0.000 0.000 0.220 481 A C 1.347 178.632 177.584 -0.499 0.000 1.160 481 A CA 1.656 53.503 52.037 -0.316 0.000 0.653 481 A CB -0.695 18.083 19.000 -0.370 0.000 0.801 481 A HN 0.592 nan 8.150 nan 0.000 0.455 482 H N -1.987 117.037 119.070 -0.077 0.000 2.662 482 H HA 0.416 4.972 4.556 -0.000 0.000 0.268 482 H C -0.328 174.969 175.328 -0.050 0.000 1.152 482 H CA -0.618 55.395 56.048 -0.059 0.000 1.072 482 H CB 0.157 29.883 29.762 -0.059 0.000 1.660 482 H HN 0.341 nan 8.280 nan 0.000 0.584 483 I N 4.211 124.786 120.570 0.007 0.000 2.683 483 I HA 0.025 4.195 4.170 -0.000 0.000 0.286 483 I C -1.760 174.356 176.117 -0.002 0.000 1.175 483 I CA -1.470 59.828 61.300 -0.003 0.000 1.429 483 I CB 0.745 38.729 38.000 -0.026 0.000 1.371 483 I HN 0.126 nan 8.210 nan 0.000 0.569 484 P HA 0.189 nan 4.420 nan 0.000 0.282 484 P C -0.854 176.445 177.300 -0.002 0.000 1.287 484 P CA -0.590 62.514 63.100 0.007 0.000 0.792 484 P CB 0.584 32.294 31.700 0.016 0.000 1.163 485 S N -0.100 115.599 115.700 -0.001 0.000 2.579 485 S HA 0.184 4.654 4.470 -0.000 0.000 0.275 485 S C 0.842 175.441 174.600 -0.002 0.000 1.345 485 S CA -0.533 57.664 58.200 -0.005 0.000 1.031 485 S CB 0.130 63.328 63.200 -0.004 0.000 0.892 485 S HN 0.280 nan 8.310 nan 0.000 0.529 486 R N 0.000 120.497 120.500 -0.005 0.000 2.786 486 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 486 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 486 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 486 R HN 0.000 nan 8.270 nan 0.000 0.535