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 1yqu_1_A DATA FIRST_RESID 5 DATA SEQUENCE QFSHNPLFCI DIIKTYKPDF TPRVAFILGS GLGALADQIE NAVAISYEKL DATA SEQUENCE PGFPVSXXXX XXXELVLGHL QGVPVVCMKG RGHFYEGRGM TIMTDAIRTF DATA SEQUENCE KLLGCELLFC TNAAGSLRPE VGAGSLVALK DHINTMPGTP MVGLNDDRFG DATA SEQUENCE ERFFSLANAY DAEYRALLQK VAKEEGFPLT EGVFVSYPGP NFETAAEIRM DATA SEQUENCE MQIIGGDVVG MSVVPEVISA RHCDLKVVAV SAITNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXQN FINLICGFLR KIA 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.562 176.000 -0.730 0.000 1.003 5 Q CA 0.000 55.465 55.803 -0.562 0.000 1.022 5 Q CB 0.000 28.613 28.738 -0.208 0.000 1.108 6 F N 0.529 120.469 119.950 -0.016 0.000 2.509 6 F HA 0.582 5.109 4.527 -0.000 0.000 0.334 6 F C 0.924 176.644 175.800 -0.133 0.000 1.060 6 F CA -0.921 57.029 58.000 -0.084 0.000 0.997 6 F CB 1.645 40.574 39.000 -0.119 0.000 1.271 6 F HN 0.443 nan 8.300 nan 0.000 0.488 7 S N -0.127 115.606 115.700 0.054 0.000 2.548 7 S HA 0.158 4.628 4.470 -0.000 0.000 0.277 7 S C 0.236 174.717 174.600 -0.199 0.000 1.315 7 S CA -0.351 57.836 58.200 -0.023 0.000 1.050 7 S CB 0.089 63.272 63.200 -0.028 0.000 0.918 7 S HN 0.630 nan 8.310 nan 0.000 0.497 8 H N 3.935 122.945 119.070 -0.101 0.000 2.594 8 H HA 0.191 4.747 4.556 -0.000 0.000 0.279 8 H C 0.981 175.905 175.328 -0.673 0.000 1.042 8 H CA -0.164 55.645 56.048 -0.399 0.000 1.177 8 H CB 0.291 29.694 29.762 -0.598 0.000 1.524 8 H HN 0.580 nan 8.280 nan 0.000 0.537 9 N N 1.404 120.008 118.700 -0.160 0.000 2.094 9 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 9 N C -0.956 174.578 175.510 0.040 0.000 1.023 9 N CA 1.021 54.117 53.050 0.077 0.000 0.857 9 N CB -1.198 37.362 38.487 0.121 0.000 1.013 9 N HN 0.365 nan 8.380 nan 0.000 0.426 10 P HA -0.051 nan 4.420 nan 0.000 0.216 10 P C 1.498 178.839 177.300 0.070 0.000 1.153 10 P CA 0.706 63.822 63.100 0.026 0.000 0.848 10 P CB 0.067 31.762 31.700 -0.008 0.000 0.787 11 L N -2.141 119.075 121.223 -0.011 0.000 2.083 11 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 11 L C 2.323 179.233 176.870 0.068 0.000 1.083 11 L CA 1.818 56.652 54.840 -0.010 0.000 0.752 11 L CB -1.507 40.501 42.059 -0.086 0.000 0.899 11 L HN -0.036 nan 8.230 nan 0.000 0.433 12 F N -1.874 118.157 119.950 0.135 0.000 2.113 12 F HA -0.258 4.269 4.527 -0.000 0.000 0.297 12 F C 2.620 178.481 175.800 0.102 0.000 1.103 12 F CA 0.755 58.819 58.000 0.107 0.000 1.248 12 F CB -0.785 38.275 39.000 0.101 0.000 0.999 12 F HN 0.090 nan 8.300 nan 0.000 0.475 13 C N 0.423 119.909 119.300 0.311 0.000 2.413 13 C HA -0.188 4.272 4.460 -0.000 0.000 0.277 13 C C 2.748 177.846 174.990 0.180 0.000 1.265 13 C CA 0.220 59.368 59.018 0.216 0.000 1.752 13 C CB -1.036 26.847 27.740 0.240 0.000 1.998 13 C HN 0.388 nan 8.230 nan 0.000 0.489 14 I N 1.303 121.977 120.570 0.175 0.000 2.151 14 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 14 I C 2.177 178.384 176.117 0.151 0.000 1.080 14 I CA 1.946 63.339 61.300 0.155 0.000 1.339 14 I CB -1.443 36.636 38.000 0.132 0.000 1.039 14 I HN 0.361 nan 8.210 nan 0.000 0.409 15 D N 0.562 121.058 120.400 0.159 0.000 2.117 15 D HA -0.086 4.554 4.640 -0.000 0.000 0.198 15 D C 2.367 178.754 176.300 0.144 0.000 0.982 15 D CA 0.949 55.035 54.000 0.143 0.000 0.828 15 D CB -0.090 40.801 40.800 0.152 0.000 0.967 15 D HN 0.321 nan 8.370 nan 0.000 0.464 16 I N 0.645 121.313 120.570 0.165 0.000 2.226 16 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 16 I C 2.301 178.559 176.117 0.235 0.000 1.100 16 I CA 0.721 62.131 61.300 0.184 0.000 1.374 16 I CB -0.089 38.003 38.000 0.154 0.000 1.057 16 I HN -0.041 nan 8.210 nan 0.000 0.413 17 I N 0.532 121.210 120.570 0.180 0.000 2.394 17 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 17 I C 2.391 178.624 176.117 0.193 0.000 1.136 17 I CA 1.276 62.687 61.300 0.184 0.000 1.425 17 I CB -0.340 37.749 38.000 0.148 0.000 1.079 17 I HN 0.158 nan 8.210 nan 0.000 0.425 18 K N 0.150 120.644 120.400 0.157 0.000 2.152 18 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 18 K C 2.070 178.720 176.600 0.083 0.000 1.048 18 K CA 1.666 58.027 56.287 0.122 0.000 0.933 18 K CB -0.241 32.318 32.500 0.099 0.000 0.721 18 K HN 0.296 nan 8.250 nan 0.000 0.447 19 T N 0.058 114.654 114.554 0.070 0.000 2.821 19 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 19 T C 1.290 175.889 174.700 -0.168 0.000 1.046 19 T CA 1.287 63.344 62.100 -0.073 0.000 1.139 19 T CB -0.156 68.616 68.868 -0.160 0.000 0.871 19 T HN 0.232 nan 8.240 nan 0.000 0.454 20 Y N 0.346 120.646 120.300 0.001 0.000 2.503 20 Y HA 0.386 4.936 4.550 -0.000 0.000 0.278 20 Y C 1.102 176.980 175.900 -0.037 0.000 1.111 20 Y CA 0.123 58.211 58.100 -0.021 0.000 1.270 20 Y CB 0.445 38.886 38.460 -0.032 0.000 1.063 20 Y HN -0.072 nan 8.280 nan 0.000 0.548 21 K N 1.224 121.693 120.400 0.115 0.000 2.950 21 K HA 0.256 4.576 4.320 -0.000 0.000 0.199 21 K C -3.145 173.514 176.600 0.099 0.000 1.144 21 K CA -2.147 54.157 56.287 0.029 0.000 0.983 21 K CB 0.677 33.125 32.500 -0.087 0.000 1.187 21 K HN -0.166 nan 8.250 nan 0.000 0.595 22 P HA 0.121 nan 4.420 nan 0.000 0.272 22 P C -0.864 176.531 177.300 0.159 0.000 1.230 22 P CA 0.228 63.393 63.100 0.108 0.000 0.788 22 P CB 0.520 32.257 31.700 0.061 0.000 0.949 23 D N -0.610 119.880 120.400 0.150 0.000 2.697 23 D HA -0.238 4.402 4.640 -0.000 0.000 0.235 23 D C -0.719 175.725 176.300 0.241 0.000 1.167 23 D CA 1.194 55.284 54.000 0.151 0.000 0.656 23 D CB -1.431 39.438 40.800 0.116 0.000 1.025 23 D HN 0.359 nan 8.370 nan 0.000 0.419 24 F N 0.536 120.524 119.950 0.062 0.000 2.562 24 F HA 0.313 4.840 4.527 -0.000 0.000 0.319 24 F C -0.584 175.248 175.800 0.053 0.000 1.154 24 F CA -0.454 57.584 58.000 0.063 0.000 0.931 24 F CB 1.765 40.800 39.000 0.058 0.000 1.198 24 F HN -0.236 nan 8.300 nan 0.000 0.444 25 T N 7.810 122.060 114.554 -0.507 0.000 2.977 25 T HA 0.337 4.687 4.350 -0.000 0.000 0.346 25 T C -2.728 171.600 174.700 -0.621 0.000 1.140 25 T CA -1.178 60.683 62.100 -0.398 0.000 1.040 25 T CB 0.900 69.666 68.868 -0.171 0.000 1.046 25 T HN 0.339 nan 8.240 nan 0.000 0.494 26 P HA 0.295 nan 4.420 nan 0.000 0.271 26 P C 0.299 177.475 177.300 -0.205 0.000 1.218 26 P CA -0.466 62.357 63.100 -0.462 0.000 0.780 26 P CB 1.714 33.314 31.700 -0.166 0.000 0.901 27 R N 0.763 121.176 120.500 -0.144 0.000 2.195 27 R HA 0.225 4.565 4.340 -0.000 0.000 0.197 27 R C 0.043 176.297 176.300 -0.076 0.000 0.990 27 R CA 0.379 56.430 56.100 -0.082 0.000 1.048 27 R CB 0.501 30.770 30.300 -0.052 0.000 0.997 27 R HN 0.332 nan 8.270 nan 0.000 0.502 28 V N 0.965 120.832 119.914 -0.078 0.000 2.604 28 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 28 V C -0.647 175.308 176.094 -0.232 0.000 1.043 28 V CA -1.014 61.193 62.300 -0.155 0.000 0.888 28 V CB 1.704 33.460 31.823 -0.111 0.000 0.995 28 V HN 0.152 nan 8.190 nan 0.000 0.429 29 A N 4.338 126.898 122.820 -0.433 0.000 2.318 29 A HA 0.911 5.231 4.320 -0.000 0.000 0.324 29 A C -1.174 176.044 177.584 -0.610 0.000 1.170 29 A CA -0.288 51.357 52.037 -0.654 0.000 0.810 29 A CB 0.589 18.843 19.000 -1.244 0.000 1.198 29 A HN 0.605 nan 8.150 nan 0.000 0.484 30 F N 1.026 120.803 119.950 -0.288 0.000 2.522 30 F HA 0.624 5.151 4.527 -0.000 0.000 0.324 30 F C 0.121 175.908 175.800 -0.023 0.000 1.077 30 F CA -0.490 57.449 58.000 -0.101 0.000 0.944 30 F CB 2.105 41.040 39.000 -0.107 0.000 1.175 30 F HN 0.338 nan 8.300 nan 0.000 0.468 31 I N 4.237 124.954 120.570 0.245 0.000 2.411 31 I HA 0.290 4.460 4.170 -0.000 0.000 0.284 31 I C -1.104 175.115 176.117 0.171 0.000 1.012 31 I CA -0.428 61.000 61.300 0.213 0.000 1.119 31 I CB 1.268 39.370 38.000 0.170 0.000 1.261 31 I HN 0.299 nan 8.210 nan 0.000 0.448 32 L N 6.261 127.561 121.223 0.128 0.000 2.257 32 L HA 0.466 4.806 4.340 -0.000 0.000 0.290 32 L C 1.179 178.089 176.870 0.065 0.000 1.044 32 L CA -0.333 54.531 54.840 0.040 0.000 0.810 32 L CB 0.972 43.017 42.059 -0.023 0.000 1.193 32 L HN 0.678 nan 8.230 nan 0.000 0.425 33 G N 2.274 111.112 108.800 0.064 0.000 2.393 33 G HA2 0.058 4.018 3.960 -0.000 0.000 0.268 33 G HA3 0.058 4.018 3.960 -0.000 0.000 0.268 33 G C 0.868 175.832 174.900 0.106 0.000 1.472 33 G CA -0.036 45.132 45.100 0.114 0.000 1.059 33 G HN 0.617 nan 8.290 nan 0.000 0.555 34 S N 0.083 115.866 115.700 0.139 0.000 2.415 34 S HA -0.088 4.382 4.470 -0.000 0.000 0.236 34 S C 2.307 176.948 174.600 0.069 0.000 1.295 34 S CA 1.192 59.464 58.200 0.119 0.000 2.080 34 S CB -1.143 62.138 63.200 0.134 0.000 0.831 34 S HN 0.954 nan 8.310 nan 0.000 0.368 35 G N 0.411 109.248 108.800 0.061 0.000 2.916 35 G HA2 0.068 4.028 3.960 -0.000 0.000 0.205 35 G HA3 0.068 4.028 3.960 -0.000 0.000 0.205 35 G C 0.684 175.581 174.900 -0.006 0.000 1.163 35 G CA -0.026 45.093 45.100 0.031 0.000 0.821 35 G HN 0.412 nan 8.290 nan 0.000 0.515 36 L N 0.541 121.747 121.223 -0.028 0.000 2.612 36 L HA 0.154 4.494 4.340 -0.000 0.000 0.230 36 L C 2.565 179.366 176.870 -0.114 0.000 1.140 36 L CA 0.191 54.965 54.840 -0.110 0.000 0.896 36 L CB 0.025 41.962 42.059 -0.203 0.000 1.065 36 L HN 0.325 nan 8.230 nan 0.000 0.447 37 G N -0.080 108.680 108.800 -0.066 0.000 2.440 37 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 37 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 37 G C 1.669 176.517 174.900 -0.087 0.000 1.154 37 G CA 0.707 45.766 45.100 -0.069 0.000 0.767 37 G HN 0.483 nan 8.290 nan 0.000 0.552 38 A N 0.247 123.022 122.820 -0.075 0.000 2.159 38 A HA -0.100 4.220 4.320 -0.000 0.000 0.222 38 A C 2.269 179.796 177.584 -0.096 0.000 1.163 38 A CA 1.816 53.809 52.037 -0.073 0.000 0.664 38 A CB -0.331 18.636 19.000 -0.055 0.000 0.803 38 A HN 0.514 nan 8.150 nan 0.000 0.470 39 L N -0.590 120.550 121.223 -0.139 0.000 2.072 39 L HA 0.072 4.412 4.340 -0.000 0.000 0.205 39 L C 2.568 179.335 176.870 -0.172 0.000 1.079 39 L CA 2.134 56.867 54.840 -0.178 0.000 0.752 39 L CB -0.993 40.900 42.059 -0.277 0.000 0.906 39 L HN 0.300 nan 8.230 nan 0.000 0.436 40 A N -0.858 121.865 122.820 -0.162 0.000 2.131 40 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 40 A C 1.855 179.381 177.584 -0.097 0.000 1.158 40 A CA 1.722 53.678 52.037 -0.134 0.000 0.665 40 A CB -0.833 18.105 19.000 -0.104 0.000 0.795 40 A HN 0.598 nan 8.150 nan 0.000 0.460 41 D N -0.464 119.884 120.400 -0.086 0.000 2.264 41 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 41 D C 1.419 177.685 176.300 -0.057 0.000 0.966 41 D CA 1.007 54.969 54.000 -0.063 0.000 0.864 41 D CB -0.136 40.632 40.800 -0.054 0.000 0.933 41 D HN 0.639 nan 8.370 nan 0.000 0.499 42 Q N 0.022 119.781 119.800 -0.069 0.000 2.247 42 Q HA 0.209 4.549 4.340 -0.000 0.000 0.205 42 Q C 0.197 176.169 176.000 -0.047 0.000 0.896 42 Q CA -0.168 55.603 55.803 -0.054 0.000 0.950 42 Q CB 0.721 29.424 28.738 -0.059 0.000 1.054 42 Q HN 0.253 nan 8.270 nan 0.000 0.482 43 I N 1.434 121.973 120.570 -0.052 0.000 2.441 43 I HA 0.013 4.183 4.170 -0.000 0.000 0.287 43 I C 0.462 176.578 176.117 -0.001 0.000 1.049 43 I CA -0.088 61.193 61.300 -0.031 0.000 1.381 43 I CB 0.883 38.854 38.000 -0.049 0.000 1.409 43 I HN 0.046 nan 8.210 nan 0.000 0.523 44 E N 5.494 125.720 120.200 0.044 0.000 2.324 44 E HA 0.076 4.426 4.350 -0.000 0.000 0.271 44 E C -0.266 176.375 176.600 0.069 0.000 1.028 44 E CA 0.071 56.509 56.400 0.064 0.000 0.890 44 E CB 0.212 29.977 29.700 0.109 0.000 1.004 44 E HN 0.529 nan 8.360 nan 0.000 0.431 45 N N 1.406 120.125 118.700 0.032 0.000 2.738 45 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 45 N C -1.027 174.468 175.510 -0.025 0.000 1.047 45 N CA 0.294 53.352 53.050 0.014 0.000 0.707 45 N CB -0.777 37.739 38.487 0.048 0.000 0.937 45 N HN 0.491 nan 8.380 nan 0.000 0.545 46 A N 0.058 122.860 122.820 -0.030 0.000 2.492 46 A HA 0.433 4.753 4.320 -0.000 0.000 0.254 46 A C 0.466 178.013 177.584 -0.062 0.000 1.091 46 A CA 0.094 52.097 52.037 -0.056 0.000 0.768 46 A CB 0.585 19.556 19.000 -0.047 0.000 1.028 46 A HN 0.167 nan 8.150 nan 0.000 0.498 47 V N 2.502 122.363 119.914 -0.088 0.000 2.409 47 V HA 0.606 4.726 4.120 -0.000 0.000 0.291 47 V C 0.443 176.490 176.094 -0.079 0.000 1.020 47 V CA -0.197 62.063 62.300 -0.067 0.000 0.848 47 V CB 1.304 33.086 31.823 -0.069 0.000 0.990 47 V HN 1.145 nan 8.190 nan 0.000 0.430 48 A N 6.617 129.390 122.820 -0.078 0.000 2.288 48 A HA 0.889 5.209 4.320 -0.000 0.000 0.320 48 A C -0.653 176.825 177.584 -0.177 0.000 1.217 48 A CA -0.463 51.508 52.037 -0.111 0.000 0.840 48 A CB 0.530 19.470 19.000 -0.100 0.000 1.179 48 A HN 0.785 nan 8.150 nan 0.000 0.504 49 I N 1.973 122.411 120.570 -0.220 0.000 2.389 49 I HA 0.254 4.424 4.170 -0.000 0.000 0.288 49 I C 0.662 176.630 176.117 -0.249 0.000 0.999 49 I CA -0.483 60.615 61.300 -0.337 0.000 1.129 49 I CB 2.010 39.756 38.000 -0.423 0.000 1.288 49 I HN 0.623 nan 8.210 nan 0.000 0.444 50 S N 4.449 120.012 115.700 -0.227 0.000 2.549 50 S HA 0.088 4.558 4.470 -0.000 0.000 0.283 50 S C 1.028 175.587 174.600 -0.068 0.000 1.320 50 S CA -0.062 58.033 58.200 -0.174 0.000 1.058 50 S CB 0.340 63.466 63.200 -0.123 0.000 0.882 50 S HN 0.431 nan 8.310 nan 0.000 0.498 51 Y N 2.566 122.803 120.300 -0.105 0.000 2.465 51 Y HA -0.068 4.482 4.550 -0.000 0.000 0.289 51 Y C 2.097 177.971 175.900 -0.043 0.000 1.150 51 Y CA 0.931 58.986 58.100 -0.075 0.000 1.293 51 Y CB -0.748 37.752 38.460 0.066 0.000 0.977 51 Y HN 0.765 nan 8.280 nan 0.000 0.556 52 E N -0.184 120.074 120.200 0.098 0.000 2.418 52 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 52 E C 1.339 177.950 176.600 0.018 0.000 1.026 52 E CA 0.546 56.979 56.400 0.056 0.000 0.862 52 E CB -0.046 29.671 29.700 0.027 0.000 0.799 52 E HN 0.447 nan 8.360 nan 0.000 0.518 53 K N 0.211 120.598 120.400 -0.023 0.000 2.358 53 K HA 0.211 4.531 4.320 -0.000 0.000 0.197 53 K C -0.110 176.461 176.600 -0.047 0.000 1.025 53 K CA 0.020 56.280 56.287 -0.044 0.000 1.104 53 K CB 0.725 33.157 32.500 -0.113 0.000 0.855 53 K HN -0.031 nan 8.250 nan 0.000 0.531 54 L N 3.322 124.517 121.223 -0.047 0.000 2.353 54 L HA 0.337 4.677 4.340 -0.000 0.000 0.270 54 L C -2.437 174.513 176.870 0.132 0.000 1.003 54 L CA -2.260 52.547 54.840 -0.054 0.000 0.862 54 L CB 1.323 43.099 42.059 -0.472 0.000 1.221 54 L HN -0.156 nan 8.230 nan 0.000 0.430 55 P HA 0.038 nan 4.420 nan 0.000 0.264 55 P C 0.863 178.297 177.300 0.225 0.000 1.193 55 P CA 0.877 64.093 63.100 0.193 0.000 0.763 55 P CB 1.333 33.169 31.700 0.227 0.000 0.810 56 G N 2.217 111.096 108.800 0.131 0.000 2.258 56 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.233 56 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.233 56 G C -0.072 174.770 174.900 -0.097 0.000 1.006 56 G CA -0.477 44.630 45.100 0.012 0.000 0.620 56 G HN 0.420 nan 8.290 nan 0.000 0.511 57 F N 3.370 123.216 119.950 -0.174 0.000 2.484 57 F HA 0.427 4.954 4.527 -0.000 0.000 0.360 57 F C -1.047 174.586 175.800 -0.279 0.000 1.101 57 F CA -1.444 56.353 58.000 -0.339 0.000 1.251 57 F CB 0.793 39.523 39.000 -0.450 0.000 1.132 57 F HN -0.098 nan 8.300 nan 0.000 0.570 58 P HA -0.027 nan 4.420 nan 0.000 0.252 58 P C -0.351 177.026 177.300 0.128 0.000 1.635 58 P CA 0.179 63.225 63.100 -0.090 0.000 1.206 58 P CB -0.298 31.313 31.700 -0.147 0.000 1.911 59 V N 2.487 122.500 119.914 0.165 0.000 2.539 59 V HA -0.088 4.032 4.120 -0.000 0.000 0.300 59 V C 1.702 177.903 176.094 0.178 0.000 1.019 59 V CA 0.635 63.072 62.300 0.230 0.000 1.160 59 V CB -0.128 31.779 31.823 0.141 0.000 0.901 59 V HN 0.536 nan 8.190 nan 0.000 0.481 69 L N 2.279 123.454 121.223 -0.081 0.000 2.322 69 L HA 0.614 4.954 4.340 -0.000 0.000 0.281 69 L C -1.531 175.346 176.870 0.012 0.000 1.014 69 L CA -0.603 54.317 54.840 0.133 0.000 0.815 69 L CB 1.806 43.951 42.059 0.145 0.000 1.247 69 L HN 0.536 nan 8.230 nan 0.000 0.421 70 V N 5.997 125.935 119.914 0.040 0.000 2.448 70 V HA 0.495 4.615 4.120 -0.000 0.000 0.295 70 V C -0.409 175.684 176.094 -0.002 0.000 1.025 70 V CA -0.698 61.593 62.300 -0.015 0.000 0.859 70 V CB 1.579 33.381 31.823 -0.034 0.000 0.988 70 V HN 0.491 nan 8.190 nan 0.000 0.431 71 L N 4.298 125.479 121.223 -0.070 0.000 2.329 71 L HA 0.990 5.330 4.340 -0.000 0.000 0.279 71 L C 0.587 177.277 176.870 -0.301 0.000 1.014 71 L CA 0.208 54.956 54.840 -0.153 0.000 0.814 71 L CB 1.006 42.893 42.059 -0.288 0.000 1.257 71 L HN 0.891 nan 8.230 nan 0.000 0.424 72 G N 1.958 110.595 108.800 -0.271 0.000 2.399 72 G HA2 0.205 4.165 3.960 -0.000 0.000 0.256 72 G HA3 0.205 4.165 3.960 -0.000 0.000 0.256 72 G C -1.405 173.430 174.900 -0.108 0.000 1.236 72 G CA -0.624 44.350 45.100 -0.211 0.000 0.914 72 G HN 0.531 nan 8.290 nan 0.000 0.482 73 H N -0.781 118.353 119.070 0.107 0.000 2.622 73 H HA 0.750 5.306 4.556 -0.000 0.000 0.363 73 H C -1.254 174.109 175.328 0.059 0.000 1.151 73 H CA -0.383 55.742 56.048 0.127 0.000 1.184 73 H CB 2.346 32.175 29.762 0.112 0.000 1.643 73 H HN 0.368 nan 8.280 nan 0.000 0.531 74 L N 2.674 123.982 121.223 0.141 0.000 2.470 74 L HA 0.144 4.484 4.340 -0.000 0.000 0.268 74 L C -0.351 176.570 176.870 0.084 0.000 0.964 74 L CA -0.394 54.484 54.840 0.063 0.000 0.839 74 L CB 1.626 43.675 42.059 -0.016 0.000 1.276 74 L HN 0.594 nan 8.230 nan 0.000 0.403 75 Q N 3.447 123.284 119.800 0.062 0.000 2.457 75 Q HA -0.202 4.138 4.340 -0.000 0.000 0.283 75 Q C 1.092 177.140 176.000 0.081 0.000 1.234 75 Q CA 1.309 57.148 55.803 0.060 0.000 0.877 75 Q CB -1.965 26.807 28.738 0.057 0.000 1.250 75 Q HN 1.274 nan 8.270 nan 0.000 0.481 76 G N -2.100 106.766 108.800 0.110 0.000 2.203 76 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 76 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 76 G C 0.149 175.181 174.900 0.220 0.000 1.012 76 G CA 0.383 45.563 45.100 0.134 0.000 0.749 76 G HN 0.459 nan 8.290 nan 0.000 0.512 77 V N 1.795 121.842 119.914 0.221 0.000 2.459 77 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 77 V C -1.614 174.552 176.094 0.121 0.000 1.029 77 V CA -1.908 60.497 62.300 0.175 0.000 0.874 77 V CB 2.054 33.941 31.823 0.106 0.000 0.985 77 V HN 0.171 nan 8.190 nan 0.000 0.438 78 P HA 0.165 nan 4.420 nan 0.000 0.266 78 P C -0.747 176.497 177.300 -0.092 0.000 1.215 78 P CA 0.373 63.297 63.100 -0.294 0.000 0.763 78 P CB 1.363 32.813 31.700 -0.417 0.000 0.806 79 V N 4.727 124.694 119.914 0.090 0.000 2.962 79 V HA 0.442 4.561 4.120 -0.000 0.000 0.313 79 V C -0.290 175.950 176.094 0.243 0.000 1.099 79 V CA -0.946 61.451 62.300 0.163 0.000 0.971 79 V CB 3.036 34.971 31.823 0.185 0.000 1.028 79 V HN 0.361 nan 8.190 nan 0.000 0.430 80 V N 3.797 123.818 119.914 0.177 0.000 2.656 80 V HA 0.701 4.821 4.120 -0.000 0.000 0.307 80 V C -0.799 175.373 176.094 0.129 0.000 1.051 80 V CA -0.127 62.274 62.300 0.168 0.000 0.893 80 V CB 1.600 33.532 31.823 0.182 0.000 0.999 80 V HN 1.025 nan 8.190 nan 0.000 0.426 81 C N 6.743 126.137 119.300 0.157 0.000 2.634 81 C HA 0.640 5.100 4.460 -0.000 0.000 0.313 81 C C -0.145 175.002 174.990 0.261 0.000 1.198 81 C CA -0.694 58.430 59.018 0.176 0.000 1.605 81 C CB 1.875 29.658 27.740 0.071 0.000 2.196 81 C HN 0.908 nan 8.230 nan 0.000 0.486 82 M N 2.712 122.501 119.600 0.315 0.000 2.072 82 M HA 0.299 4.779 4.480 -0.000 0.000 0.331 82 M C -0.392 176.080 176.300 0.286 0.000 1.004 82 M CA -0.063 55.496 55.300 0.432 0.000 0.952 82 M CB 0.899 33.816 32.600 0.529 0.000 1.511 82 M HN 0.532 nan 8.290 nan 0.000 0.422 83 K N 3.027 123.546 120.400 0.199 0.000 2.206 83 K HA 0.528 4.848 4.320 -0.000 0.000 0.268 83 K C 0.022 176.686 176.600 0.107 0.000 1.111 83 K CA -0.273 56.059 56.287 0.074 0.000 0.955 83 K CB 0.521 32.999 32.500 -0.038 0.000 1.406 83 K HN 0.945 nan 8.250 nan 0.000 0.427 84 G N 2.322 111.236 108.800 0.190 0.000 2.885 84 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.685 84 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.685 84 G C -0.915 174.166 174.900 0.302 0.000 1.216 84 G CA -1.134 44.106 45.100 0.233 0.000 0.790 84 G HN 0.619 nan 8.290 nan 0.000 0.631 85 R N 0.514 121.105 120.500 0.152 0.000 2.950 85 R HA 0.921 5.260 4.340 -0.000 0.000 0.253 85 R C 0.444 176.662 176.300 -0.135 0.000 1.168 85 R CA -0.579 55.507 56.100 -0.025 0.000 1.014 85 R CB 1.038 31.244 30.300 -0.158 0.000 1.228 85 R HN 1.460 nan 8.270 nan 0.000 0.487 86 G N -0.347 108.288 108.800 -0.276 0.000 2.417 86 G HA2 0.591 4.551 3.960 -0.000 0.000 0.334 86 G HA3 0.591 4.551 3.960 -0.000 0.000 0.334 86 G C -1.388 173.228 174.900 -0.474 0.000 1.150 86 G CA -0.562 44.389 45.100 -0.247 0.000 0.923 86 G HN 0.570 nan 8.290 nan 0.000 0.485 87 H N 0.051 118.923 119.070 -0.331 0.000 2.834 87 H HA 0.351 4.907 4.556 -0.000 0.000 0.369 87 H C 0.232 175.323 175.328 -0.396 0.000 1.174 87 H CA -0.852 54.905 56.048 -0.485 0.000 1.165 87 H CB 1.872 30.929 29.762 -1.175 0.000 1.820 87 H HN 0.376 nan 8.280 nan 0.000 0.558 88 F N 1.541 121.373 119.950 -0.196 0.000 2.171 88 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 88 F C 1.635 177.401 175.800 -0.058 0.000 1.090 88 F CA 1.248 59.186 58.000 -0.103 0.000 1.293 88 F CB -0.190 38.786 39.000 -0.039 0.000 1.013 88 F HN 0.689 nan 8.300 nan 0.000 0.486 89 Y N -0.211 120.123 120.300 0.057 0.000 2.639 89 Y HA 0.051 4.601 4.550 -0.000 0.000 0.297 89 Y C 1.643 177.446 175.900 -0.162 0.000 1.151 89 Y CA 0.531 58.579 58.100 -0.087 0.000 1.335 89 Y CB -1.941 36.512 38.460 -0.011 0.000 0.994 89 Y HN 0.246 nan 8.280 nan 0.000 0.548 90 E N 0.471 120.637 120.200 -0.058 0.000 2.427 90 E HA 0.118 4.468 4.350 -0.000 0.000 0.196 90 E C 1.652 178.187 176.600 -0.108 0.000 1.028 90 E CA 0.565 56.965 56.400 -0.000 0.000 0.864 90 E CB -0.218 29.460 29.700 -0.036 0.000 0.813 90 E HN 0.739 nan 8.360 nan 0.000 0.514 91 G N 1.654 110.294 108.800 -0.267 0.000 2.159 91 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.227 91 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.227 91 G C 0.695 175.465 174.900 -0.217 0.000 0.986 91 G CA 0.024 44.969 45.100 -0.259 0.000 0.651 91 G HN 0.200 nan 8.290 nan 0.000 0.523 92 R N 0.445 120.818 120.500 -0.211 0.000 2.552 92 R HA 0.470 4.810 4.340 -0.000 0.000 0.314 92 R C 1.417 177.641 176.300 -0.126 0.000 1.041 92 R CA 0.417 56.435 56.100 -0.138 0.000 1.076 92 R CB 0.370 30.610 30.300 -0.100 0.000 1.290 92 R HN 1.385 nan 8.270 nan 0.000 0.563 93 G N 1.346 110.031 108.800 -0.192 0.000 2.750 93 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.228 93 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.228 93 G C 0.533 175.519 174.900 0.145 0.000 1.367 93 G CA -0.433 44.654 45.100 -0.022 0.000 0.871 93 G HN 0.073 nan 8.290 nan 0.000 0.560 94 M N 1.361 121.110 119.600 0.247 0.000 2.619 94 M HA 0.037 4.517 4.480 -0.000 0.000 0.251 94 M C 2.521 178.839 176.300 0.031 0.000 1.106 94 M CA 2.047 57.450 55.300 0.172 0.000 1.086 94 M CB -1.320 31.335 32.600 0.092 0.000 1.465 94 M HN 0.921 nan 8.290 nan 0.000 0.506 95 T N -2.978 111.570 114.554 -0.009 0.000 3.107 95 T HA 0.131 4.481 4.350 -0.000 0.000 0.249 95 T C 1.635 176.267 174.700 -0.114 0.000 1.096 95 T CA -0.108 61.949 62.100 -0.073 0.000 1.012 95 T CB -0.520 68.302 68.868 -0.076 0.000 0.977 95 T HN 0.325 nan 8.240 nan 0.000 0.527 96 I N 0.342 120.851 120.570 -0.102 0.000 2.399 96 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 96 I C 1.534 177.523 176.117 -0.214 0.000 1.146 96 I CA 1.351 62.565 61.300 -0.144 0.000 1.412 96 I CB -0.002 37.919 38.000 -0.130 0.000 1.076 96 I HN 0.230 nan 8.210 nan 0.000 0.432 97 M N -0.909 118.559 119.600 -0.220 0.000 2.333 97 M HA 0.075 4.555 4.480 -0.000 0.000 0.257 97 M C 1.872 177.972 176.300 -0.332 0.000 1.078 97 M CA 0.481 55.607 55.300 -0.290 0.000 1.005 97 M CB -0.527 31.939 32.600 -0.224 0.000 1.444 97 M HN 0.107 nan 8.290 nan 0.000 0.496 98 T N 0.916 115.299 114.554 -0.285 0.000 2.708 98 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 98 T C 1.341 175.792 174.700 -0.415 0.000 1.037 98 T CA 1.520 63.434 62.100 -0.311 0.000 1.146 98 T CB -0.056 68.659 68.868 -0.256 0.000 0.865 98 T HN 0.276 nan 8.240 nan 0.000 0.435 99 D N 1.251 121.403 120.400 -0.414 0.000 2.123 99 D HA -0.030 4.610 4.640 -0.000 0.000 0.196 99 D C 2.377 178.308 176.300 -0.615 0.000 0.992 99 D CA 1.290 55.019 54.000 -0.452 0.000 0.833 99 D CB -0.494 40.106 40.800 -0.333 0.000 0.954 99 D HN 0.383 nan 8.370 nan 0.000 0.455 100 A N 0.667 122.957 122.820 -0.884 0.000 1.883 100 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 100 A C 2.213 179.102 177.584 -1.158 0.000 1.186 100 A CA 1.091 52.305 52.037 -1.372 0.000 0.624 100 A CB -0.690 17.338 19.000 -1.620 0.000 0.822 100 A HN 0.132 nan 8.150 nan 0.000 0.444 101 I N -0.169 119.936 120.570 -0.775 0.000 2.264 101 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 101 I C 2.537 178.451 176.117 -0.339 0.000 1.111 101 I CA 1.381 62.400 61.300 -0.468 0.000 1.382 101 I CB -0.488 37.380 38.000 -0.221 0.000 1.060 101 I HN 0.259 nan 8.210 nan 0.000 0.418 102 R N -0.795 119.449 120.500 -0.427 0.000 2.115 102 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 102 R C 2.148 178.342 176.300 -0.176 0.000 1.111 102 R CA 1.682 57.541 56.100 -0.403 0.000 0.976 102 R CB -0.540 29.227 30.300 -0.890 0.000 0.870 102 R HN 0.341 nan 8.270 nan 0.000 0.445 103 T N 0.720 115.128 114.554 -0.243 0.000 2.777 103 T HA -0.091 4.259 4.350 -0.000 0.000 0.266 103 T C 1.285 176.046 174.700 0.102 0.000 1.040 103 T CA 1.135 63.206 62.100 -0.048 0.000 1.141 103 T CB -0.184 68.676 68.868 -0.013 0.000 0.868 103 T HN 0.055 nan 8.240 nan 0.000 0.444 104 F N 1.820 121.794 119.950 0.041 0.000 2.134 104 F HA 0.041 4.567 4.527 -0.000 0.000 0.299 104 F C 2.321 178.141 175.800 0.033 0.000 1.097 104 F CA 0.614 58.642 58.000 0.047 0.000 1.264 104 F CB -0.918 38.088 39.000 0.011 0.000 1.001 104 F HN 0.052 nan 8.300 nan 0.000 0.479 105 K N 0.942 121.468 120.400 0.210 0.000 2.026 105 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 105 K C 1.990 178.670 176.600 0.133 0.000 1.048 105 K CA 1.373 57.744 56.287 0.140 0.000 0.929 105 K CB -0.755 31.814 32.500 0.115 0.000 0.713 105 K HN 0.266 nan 8.250 nan 0.000 0.439 106 L N 0.355 121.672 121.223 0.156 0.000 2.191 106 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 106 L C 2.154 179.094 176.870 0.116 0.000 1.103 106 L CA 0.770 55.691 54.840 0.135 0.000 0.769 106 L CB -0.277 41.877 42.059 0.159 0.000 0.908 106 L HN 0.207 nan 8.230 nan 0.000 0.438 107 L N -0.545 120.766 121.223 0.146 0.000 2.362 107 L HA -0.055 4.284 4.340 -0.000 0.000 0.219 107 L C 1.495 178.409 176.870 0.072 0.000 1.134 107 L CA 0.934 55.855 54.840 0.134 0.000 0.807 107 L CB -0.390 41.787 42.059 0.195 0.000 0.927 107 L HN 0.538 nan 8.230 nan 0.000 0.447 108 G N -1.499 107.340 108.800 0.066 0.000 2.154 108 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.186 108 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.186 108 G C 0.243 175.147 174.900 0.008 0.000 1.000 108 G CA -0.186 44.928 45.100 0.024 0.000 0.664 108 G HN 0.263 nan 8.290 nan 0.000 0.513 109 C N 1.190 120.506 119.300 0.026 0.000 2.689 109 C HA 0.476 4.936 4.460 -0.000 0.000 0.409 109 C C 1.763 176.754 174.990 0.003 0.000 1.293 109 C CA 0.517 59.530 59.018 -0.009 0.000 2.136 109 C CB 0.847 28.571 27.740 -0.026 0.000 2.719 109 C HN 0.712 nan 8.230 nan 0.000 0.644 110 E N 0.562 120.757 120.200 -0.008 0.000 2.473 110 E HA 0.311 4.661 4.350 -0.000 0.000 0.204 110 E C -0.113 176.508 176.600 0.035 0.000 0.994 110 E CA 0.004 56.421 56.400 0.028 0.000 0.945 110 E CB 0.103 29.834 29.700 0.053 0.000 0.990 110 E HN 0.712 nan 8.360 nan 0.000 0.493 111 L N -1.416 119.784 121.223 -0.039 0.000 2.556 111 L HA 0.555 4.895 4.340 -0.000 0.000 0.257 111 L C -1.731 175.033 176.870 -0.178 0.000 0.955 111 L CA -1.394 53.393 54.840 -0.088 0.000 0.850 111 L CB 1.964 43.913 42.059 -0.182 0.000 1.398 111 L HN -0.034 nan 8.230 nan 0.000 0.412 112 L N 2.573 123.693 121.223 -0.171 0.000 2.282 112 L HA 0.585 4.925 4.340 -0.000 0.000 0.288 112 L C -1.463 175.253 176.870 -0.257 0.000 1.033 112 L CA -0.001 54.714 54.840 -0.209 0.000 0.807 112 L CB 1.243 43.248 42.059 -0.091 0.000 1.209 112 L HN 0.691 nan 8.230 nan 0.000 0.423 113 F N 6.296 125.946 119.950 -0.499 0.000 2.311 113 F HA 0.372 4.899 4.527 -0.000 0.000 0.371 113 F C -0.102 175.566 175.800 -0.221 0.000 1.083 113 F CA -0.687 57.025 58.000 -0.479 0.000 1.113 113 F CB 0.619 39.060 39.000 -0.931 0.000 1.349 113 F HN 0.681 nan 8.300 nan 0.000 0.470 114 C N 5.455 124.787 119.300 0.054 0.000 2.388 114 C HA 0.803 5.263 4.460 -0.000 0.000 0.362 114 C C 0.241 175.386 174.990 0.259 0.000 1.266 114 C CA 0.124 59.224 59.018 0.137 0.000 2.028 114 C CB -0.016 27.741 27.740 0.028 0.000 2.440 114 C HN 0.910 nan 8.230 nan 0.000 0.547 115 T N 3.946 118.658 114.554 0.263 0.000 2.906 115 T HA 0.781 5.131 4.350 -0.000 0.000 0.295 115 T C -1.064 173.761 174.700 0.208 0.000 1.061 115 T CA -0.605 61.683 62.100 0.313 0.000 1.000 115 T CB 1.710 70.698 68.868 0.199 0.000 1.103 115 T HN 1.067 nan 8.240 nan 0.000 0.486 116 N N 0.107 118.962 118.700 0.257 0.000 3.043 116 N HA 0.445 5.185 4.740 -0.000 0.000 0.243 116 N C -1.475 174.192 175.510 0.262 0.000 1.347 116 N CA -0.872 52.309 53.050 0.218 0.000 0.896 116 N CB 1.509 40.094 38.487 0.163 0.000 1.501 116 N HN 1.022 nan 8.380 nan 0.000 0.504 117 A N 0.212 123.182 122.820 0.250 0.000 2.331 117 A HA 0.854 5.174 4.320 -0.000 0.000 0.283 117 A C -0.016 177.724 177.584 0.261 0.000 1.142 117 A CA 0.253 52.431 52.037 0.236 0.000 0.812 117 A CB 0.156 19.281 19.000 0.210 0.000 1.074 117 A HN 1.241 nan 8.150 nan 0.000 0.497 118 A N 1.146 124.101 122.820 0.224 0.000 2.581 118 A HA 0.838 5.158 4.320 -0.000 0.000 0.290 118 A C -0.039 177.627 177.584 0.137 0.000 1.119 118 A CA -0.104 52.069 52.037 0.227 0.000 0.670 118 A CB 0.689 19.877 19.000 0.312 0.000 1.280 118 A HN 1.933 nan 8.150 nan 0.000 0.425 119 G N -0.250 108.608 108.800 0.097 0.000 2.410 119 G HA2 0.547 4.507 3.960 -0.000 0.000 0.330 119 G HA3 0.547 4.507 3.960 -0.000 0.000 0.330 119 G C -0.163 174.743 174.900 0.010 0.000 1.142 119 G CA 0.326 45.444 45.100 0.030 0.000 0.902 119 G HN 1.206 nan 8.290 nan 0.000 0.491 120 S N 0.237 115.933 115.700 -0.006 0.000 2.541 120 S HA 0.377 4.846 4.470 -0.000 0.000 0.283 120 S C 0.871 175.453 174.600 -0.030 0.000 1.196 120 S CA -0.782 57.412 58.200 -0.011 0.000 1.062 120 S CB 0.873 64.069 63.200 -0.007 0.000 1.009 120 S HN 0.406 nan 8.310 nan 0.000 0.502 121 L N 3.797 125.001 121.223 -0.032 0.000 2.728 121 L HA 0.366 4.706 4.340 -0.000 0.000 0.238 121 L C 0.458 177.311 176.870 -0.028 0.000 1.143 121 L CA 0.001 54.817 54.840 -0.040 0.000 0.937 121 L CB 0.015 42.044 42.059 -0.049 0.000 1.225 121 L HN 0.485 nan 8.230 nan 0.000 0.507 122 R N -0.321 120.167 120.500 -0.020 0.000 2.480 122 R HA 0.317 4.657 4.340 -0.000 0.000 0.306 122 R C -2.039 174.252 176.300 -0.014 0.000 0.958 122 R CA -1.766 54.325 56.100 -0.015 0.000 0.861 122 R CB 1.494 31.789 30.300 -0.009 0.000 1.171 122 R HN -0.263 nan 8.270 nan 0.000 0.445 123 P HA -0.225 nan 4.420 nan 0.000 0.215 123 P C 0.398 177.693 177.300 -0.009 0.000 1.153 123 P CA 1.316 64.408 63.100 -0.013 0.000 0.853 123 P CB 0.263 31.956 31.700 -0.013 0.000 0.788 124 E N -0.935 119.261 120.200 -0.006 0.000 2.267 124 E HA -0.071 4.279 4.350 -0.000 0.000 0.197 124 E C 0.028 176.628 176.600 0.000 0.000 0.998 124 E CA 0.650 57.049 56.400 -0.002 0.000 0.830 124 E CB -0.460 29.240 29.700 -0.001 0.000 0.751 124 E HN 0.087 nan 8.360 nan 0.000 0.491 125 V N 1.408 121.320 119.914 -0.002 0.000 2.326 125 V HA 0.511 4.631 4.120 -0.000 0.000 0.281 125 V C 0.388 176.480 176.094 -0.005 0.000 1.015 125 V CA -0.481 61.819 62.300 -0.000 0.000 0.823 125 V CB 1.318 33.142 31.823 0.002 0.000 1.009 125 V HN 0.252 nan 8.190 nan 0.000 0.436 126 G N 2.756 111.553 108.800 -0.005 0.000 2.887 126 G HA2 0.707 4.667 3.960 -0.000 0.000 0.277 126 G HA3 0.707 4.667 3.960 -0.000 0.000 0.277 126 G C -0.022 174.872 174.900 -0.010 0.000 1.346 126 G CA -0.437 44.658 45.100 -0.009 0.000 1.058 126 G HN 1.003 nan 8.290 nan 0.000 0.535 127 A N -1.463 121.350 122.820 -0.011 0.000 2.567 127 A HA 0.483 4.803 4.320 -0.000 0.000 0.240 127 A C 1.542 179.120 177.584 -0.010 0.000 1.053 127 A CA 1.608 53.640 52.037 -0.009 0.000 0.755 127 A CB -0.561 18.431 19.000 -0.012 0.000 0.978 127 A HN 2.575 nan 8.150 nan 0.000 0.507 128 G N 1.742 110.536 108.800 -0.010 0.000 2.259 128 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 128 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 128 G C 0.590 175.457 174.900 -0.055 0.000 1.001 128 G CA 0.264 45.349 45.100 -0.024 0.000 0.627 128 G HN 1.250 nan 8.290 nan 0.000 0.501 129 S N 0.603 116.276 115.700 -0.045 0.000 2.593 129 S HA 0.659 5.129 4.470 -0.000 0.000 0.269 129 S C 0.263 174.801 174.600 -0.104 0.000 1.334 129 S CA 0.003 58.165 58.200 -0.062 0.000 1.015 129 S CB 1.239 64.424 63.200 -0.025 0.000 0.912 129 S HN 0.456 nan 8.310 nan 0.000 0.541 130 L N 1.904 123.038 121.223 -0.148 0.000 2.346 130 L HA 0.650 4.990 4.340 -0.000 0.000 0.276 130 L C -1.087 175.721 176.870 -0.103 0.000 1.006 130 L CA -0.787 53.917 54.840 -0.227 0.000 0.817 130 L CB 1.748 43.556 42.059 -0.419 0.000 1.272 130 L HN 0.324 nan 8.230 nan 0.000 0.421 131 V N 1.971 121.833 119.914 -0.088 0.000 2.577 131 V HA 0.533 4.653 4.120 -0.000 0.000 0.303 131 V C 0.079 176.156 176.094 -0.028 0.000 1.042 131 V CA -0.715 61.570 62.300 -0.026 0.000 0.872 131 V CB 1.822 33.651 31.823 0.009 0.000 0.998 131 V HN 0.843 nan 8.190 nan 0.000 0.423 132 A N 5.969 128.779 122.820 -0.017 0.000 2.362 132 A HA 0.718 5.038 4.320 -0.000 0.000 0.276 132 A C -0.280 177.276 177.584 -0.047 0.000 1.153 132 A CA -0.313 51.708 52.037 -0.028 0.000 0.813 132 A CB 0.105 19.101 19.000 -0.008 0.000 1.081 132 A HN 0.835 nan 8.150 nan 0.000 0.507 133 L N 3.130 124.303 121.223 -0.084 0.000 2.319 133 L HA 0.258 4.598 4.340 -0.000 0.000 0.280 133 L C 1.347 178.033 176.870 -0.306 0.000 1.099 133 L CA -0.249 54.462 54.840 -0.214 0.000 0.828 133 L CB 1.054 42.921 42.059 -0.319 0.000 1.150 133 L HN 1.023 nan 8.230 nan 0.000 0.442 134 K N -0.220 120.004 120.400 -0.293 0.000 2.360 134 K HA 0.312 4.632 4.320 -0.000 0.000 0.196 134 K C -0.147 176.315 176.600 -0.231 0.000 1.049 134 K CA -0.188 55.998 56.287 -0.168 0.000 1.049 134 K CB 0.801 33.265 32.500 -0.059 0.000 0.881 134 K HN 0.472 nan 8.250 nan 0.000 0.542 135 D N -0.108 119.999 120.400 -0.489 0.000 2.769 135 D HA 0.161 4.801 4.640 -0.000 0.000 0.309 135 D C -1.718 174.448 176.300 -0.225 0.000 1.315 135 D CA -0.542 53.278 54.000 -0.301 0.000 0.780 135 D CB 1.235 41.986 40.800 -0.082 0.000 1.312 135 D HN 0.314 nan 8.370 nan 0.000 0.437 136 H N -1.117 117.984 119.070 0.052 0.000 3.008 136 H HA 0.688 5.244 4.556 -0.000 0.000 0.354 136 H C -1.098 174.304 175.328 0.124 0.000 1.252 136 H CA -0.936 55.197 56.048 0.141 0.000 1.117 136 H CB 1.363 31.308 29.762 0.306 0.000 1.857 136 H HN 0.256 nan 8.280 nan 0.000 0.547 137 I N 2.499 123.295 120.570 0.375 0.000 2.439 137 I HA 0.105 4.275 4.170 -0.000 0.000 0.285 137 I C -0.605 175.610 176.117 0.162 0.000 1.021 137 I CA -0.667 60.772 61.300 0.232 0.000 1.091 137 I CB 1.641 39.700 38.000 0.098 0.000 1.242 137 I HN 0.512 nan 8.210 nan 0.000 0.439 138 N N 3.608 122.395 118.700 0.144 0.000 2.444 138 N HA 0.252 4.992 4.740 -0.000 0.000 0.271 138 N C 0.243 175.750 175.510 -0.005 0.000 1.069 138 N CA 0.290 53.352 53.050 0.020 0.000 0.965 138 N CB 1.284 39.767 38.487 -0.007 0.000 1.092 138 N HN 0.496 nan 8.380 nan 0.000 0.476 139 T N 2.516 117.049 114.554 -0.035 0.000 3.010 139 T HA 0.250 4.600 4.350 -0.000 0.000 0.257 139 T C 0.526 175.142 174.700 -0.140 0.000 1.020 139 T CA -0.081 61.989 62.100 -0.050 0.000 0.938 139 T CB -0.012 68.860 68.868 0.007 0.000 1.049 139 T HN 0.470 nan 8.240 nan 0.000 0.522 140 M N 3.188 122.665 119.600 -0.206 0.000 2.240 140 M HA 0.262 4.742 4.480 -0.000 0.000 0.333 140 M C -2.131 173.957 176.300 -0.353 0.000 1.110 140 M CA -1.836 53.217 55.300 -0.412 0.000 1.173 140 M CB 0.220 32.492 32.600 -0.546 0.000 1.458 140 M HN -0.140 nan 8.290 nan 0.000 0.458 141 P HA 0.132 nan 4.420 nan 0.000 0.271 141 P C 0.289 177.494 177.300 -0.159 0.000 1.226 141 P CA 0.506 63.476 63.100 -0.216 0.000 0.765 141 P CB 0.275 31.894 31.700 -0.136 0.000 0.835 142 G N 3.215 111.966 108.800 -0.082 0.000 2.692 142 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.248 142 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.248 142 G C -0.360 174.510 174.900 -0.050 0.000 1.340 142 G CA 0.169 45.243 45.100 -0.044 0.000 0.896 142 G HN 0.951 nan 8.290 nan 0.000 0.570 143 T N -3.457 111.087 114.554 -0.017 0.000 2.843 143 T HA 0.722 5.071 4.350 -0.000 0.000 0.302 143 T C -1.784 172.921 174.700 0.008 0.000 1.232 143 T CA -0.412 61.687 62.100 -0.003 0.000 1.009 143 T CB 2.225 71.104 68.868 0.019 0.000 1.254 143 T HN 0.390 nan 8.240 nan 0.000 0.504 144 P HA -0.015 nan 4.420 nan 0.000 0.215 144 P C 1.223 178.495 177.300 -0.046 0.000 1.157 144 P CA 1.094 64.182 63.100 -0.019 0.000 0.874 144 P CB -0.101 31.582 31.700 -0.028 0.000 0.790 145 M N -1.506 118.078 119.600 -0.026 0.000 2.659 145 M HA 0.012 4.492 4.480 -0.000 0.000 0.243 145 M C 0.023 176.297 176.300 -0.045 0.000 1.111 145 M CA -0.044 55.205 55.300 -0.085 0.000 1.070 145 M CB -0.945 31.615 32.600 -0.067 0.000 1.525 145 M HN -0.329 nan 8.290 nan 0.000 0.517 146 V N 1.104 121.008 119.914 -0.016 0.000 2.540 146 V HA 0.456 4.576 4.120 -0.000 0.000 0.297 146 V C 1.011 177.097 176.094 -0.014 0.000 1.024 146 V CA 0.767 63.061 62.300 -0.009 0.000 1.105 146 V CB -0.490 31.335 31.823 0.003 0.000 0.938 146 V HN 0.709 nan 8.190 nan 0.000 0.482 147 G N 4.006 112.800 108.800 -0.009 0.000 2.343 147 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.562 147 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.562 147 G C -0.869 174.038 174.900 0.013 0.000 1.269 147 G CA -0.995 44.104 45.100 -0.002 0.000 1.011 147 G HN 0.668 nan 8.290 nan 0.000 0.498 148 L N 0.794 122.042 121.223 0.042 0.000 2.525 148 L HA 0.147 4.487 4.340 -0.000 0.000 0.278 148 L C 1.013 177.982 176.870 0.165 0.000 1.218 148 L CA -0.280 54.628 54.840 0.113 0.000 0.878 148 L CB 0.377 42.530 42.059 0.157 0.000 1.127 148 L HN 0.657 nan 8.230 nan 0.000 0.492 149 N N 1.722 120.486 118.700 0.106 0.000 2.497 149 N HA -0.019 4.721 4.740 -0.000 0.000 0.271 149 N C -0.502 174.994 175.510 -0.023 0.000 1.142 149 N CA -0.232 52.843 53.050 0.041 0.000 0.965 149 N CB 0.661 39.147 38.487 -0.002 0.000 1.077 149 N HN 0.395 nan 8.380 nan 0.000 0.462 150 D N 2.483 122.838 120.400 -0.075 0.000 2.422 150 D HA 0.076 4.716 4.640 -0.000 0.000 0.227 150 D C -0.070 176.116 176.300 -0.190 0.000 1.190 150 D CA -0.268 53.527 54.000 -0.342 0.000 0.905 150 D CB 0.327 41.084 40.800 -0.073 0.000 1.034 150 D HN 0.514 nan 8.370 nan 0.000 0.507 151 D N 2.654 122.871 120.400 -0.305 0.000 2.265 151 D HA -0.153 4.487 4.640 -0.000 0.000 0.208 151 D C 1.624 177.773 176.300 -0.252 0.000 0.977 151 D CA 0.629 54.504 54.000 -0.209 0.000 0.871 151 D CB 0.204 40.890 40.800 -0.189 0.000 0.925 151 D HN 0.477 nan 8.370 nan 0.000 0.485 152 R N -0.831 119.449 120.500 -0.365 0.000 2.237 152 R HA -0.032 4.308 4.340 -0.000 0.000 0.219 152 R C 1.304 177.172 176.300 -0.720 0.000 1.080 152 R CA 0.679 56.452 56.100 -0.545 0.000 0.995 152 R CB 0.010 29.876 30.300 -0.724 0.000 0.875 152 R HN 0.225 nan 8.270 nan 0.000 0.462 153 F N -1.556 118.281 119.950 -0.189 0.000 2.667 153 F HA 0.360 4.887 4.527 -0.000 0.000 0.288 153 F C 1.160 176.741 175.800 -0.365 0.000 1.086 153 F CA 0.253 58.134 58.000 -0.197 0.000 1.297 153 F CB 0.873 39.805 39.000 -0.114 0.000 1.059 153 F HN -0.026 nan 8.300 nan 0.000 0.624 154 G N -0.497 108.124 108.800 -0.298 0.000 2.495 154 G HA2 0.385 4.345 3.960 -0.000 0.000 0.294 154 G HA3 0.385 4.345 3.960 -0.000 0.000 0.294 154 G C -1.519 173.175 174.900 -0.343 0.000 1.397 154 G CA -0.834 43.854 45.100 -0.687 0.000 0.790 154 G HN -0.096 nan 8.290 nan 0.000 0.486 155 E N -0.621 119.430 120.200 -0.248 0.000 2.314 155 E HA 0.324 4.674 4.350 -0.000 0.000 0.262 155 E C 1.260 177.943 176.600 0.139 0.000 1.093 155 E CA -0.764 55.635 56.400 -0.003 0.000 0.908 155 E CB 1.887 31.617 29.700 0.050 0.000 1.091 155 E HN 0.474 nan 8.360 nan 0.000 0.425 156 R N 1.105 121.616 120.500 0.020 0.000 2.094 156 R HA -0.116 4.224 4.340 -0.000 0.000 0.239 156 R C -0.075 176.053 176.300 -0.285 0.000 1.137 156 R CA 1.717 57.685 56.100 -0.219 0.000 0.943 156 R CB -0.196 29.826 30.300 -0.463 0.000 0.850 156 R HN 0.361 nan 8.270 nan 0.000 0.433 157 F N -0.323 119.771 119.950 0.241 0.000 2.470 157 F HA 0.462 4.989 4.527 -0.000 0.000 0.329 157 F C -0.447 175.544 175.800 0.318 0.000 1.072 157 F CA -1.045 57.072 58.000 0.194 0.000 0.989 157 F CB 1.579 40.618 39.000 0.064 0.000 1.193 157 F HN 0.042 nan 8.300 nan 0.000 0.481 158 F N -1.143 118.947 119.950 0.234 0.000 2.678 158 F HA 0.606 5.132 4.527 -0.000 0.000 0.308 158 F C -0.844 175.020 175.800 0.107 0.000 1.118 158 F CA -1.221 56.862 58.000 0.139 0.000 0.959 158 F CB 1.114 40.180 39.000 0.109 0.000 1.305 158 F HN 0.386 nan 8.300 nan 0.000 0.443 159 S N 1.823 117.600 115.700 0.128 0.000 2.554 159 S HA 0.559 5.029 4.470 -0.000 0.000 0.278 159 S C -0.001 174.640 174.600 0.067 0.000 1.242 159 S CA -0.718 57.503 58.200 0.035 0.000 1.051 159 S CB 0.948 64.174 63.200 0.044 0.000 0.986 159 S HN 0.796 nan 8.310 nan 0.000 0.502 160 L N 3.159 124.382 121.223 0.001 0.000 2.741 160 L HA 0.360 4.700 4.340 -0.000 0.000 0.237 160 L C 1.019 177.887 176.870 -0.003 0.000 1.178 160 L CA -0.390 54.455 54.840 0.009 0.000 0.973 160 L CB -0.428 41.611 42.059 -0.035 0.000 1.255 160 L HN 0.731 nan 8.230 nan 0.000 0.498 161 A N 0.543 123.367 122.820 0.007 0.000 2.477 161 A HA 0.070 4.389 4.320 -0.000 0.000 0.246 161 A C 1.072 178.664 177.584 0.014 0.000 1.078 161 A CA 0.222 52.263 52.037 0.007 0.000 0.770 161 A CB -0.173 18.830 19.000 0.006 0.000 1.011 161 A HN 0.661 nan 8.150 nan 0.000 0.494 162 N N 0.370 119.083 118.700 0.021 0.000 2.735 162 N HA -0.265 4.474 4.740 -0.000 0.000 0.248 162 N C 1.035 176.553 175.510 0.013 0.000 1.083 162 N CA 0.419 53.485 53.050 0.027 0.000 0.703 162 N CB -0.723 37.769 38.487 0.009 0.000 1.005 162 N HN 0.948 nan 8.380 nan 0.000 0.550 163 A N -0.315 122.505 122.820 -0.000 0.000 1.933 163 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 163 A C 0.578 178.004 177.584 -0.264 0.000 1.175 163 A CA 1.215 53.175 52.037 -0.129 0.000 0.628 163 A CB -0.217 18.666 19.000 -0.195 0.000 0.814 163 A HN 0.485 nan 8.150 nan 0.000 0.444 164 Y N 1.056 121.352 120.300 -0.007 0.000 2.802 164 Y HA 0.330 4.880 4.550 -0.000 0.000 0.330 164 Y C -0.001 175.902 175.900 0.005 0.000 1.193 164 Y CA -1.579 56.516 58.100 -0.008 0.000 1.427 164 Y CB -0.553 37.896 38.460 -0.019 0.000 1.357 164 Y HN 0.273 nan 8.280 nan 0.000 0.501 165 D N 1.855 122.301 120.400 0.076 0.000 3.434 165 D HA -0.139 4.501 4.640 -0.000 0.000 0.215 165 D C 1.210 177.549 176.300 0.066 0.000 1.157 165 D CA 0.801 54.838 54.000 0.062 0.000 0.785 165 D CB 0.824 41.686 40.800 0.102 0.000 1.164 165 D HN 0.663 nan 8.370 nan 0.000 0.580 166 A N 4.138 126.974 122.820 0.026 0.000 1.902 166 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 166 A C 2.000 179.592 177.584 0.014 0.000 1.181 166 A CA 1.763 53.816 52.037 0.026 0.000 0.623 166 A CB -0.444 18.561 19.000 0.008 0.000 0.818 166 A HN 0.803 nan 8.150 nan 0.000 0.443 167 E N -1.065 119.101 120.200 -0.056 0.000 2.031 167 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 167 E C 1.805 178.423 176.600 0.029 0.000 0.994 167 E CA 1.571 57.920 56.400 -0.085 0.000 0.800 167 E CB -0.330 29.224 29.700 -0.243 0.000 0.752 167 E HN 0.788 nan 8.360 nan 0.000 0.447 168 Y N -0.002 120.368 120.300 0.116 0.000 2.274 168 Y HA -0.108 4.442 4.550 -0.000 0.000 0.290 168 Y C 2.627 178.628 175.900 0.167 0.000 1.145 168 Y CA 0.668 58.905 58.100 0.227 0.000 1.203 168 Y CB 0.023 38.616 38.460 0.222 0.000 0.984 168 Y HN -0.003 nan 8.280 nan 0.000 0.533 169 R N -0.085 120.543 120.500 0.215 0.000 2.115 169 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 169 R C 2.481 178.856 176.300 0.126 0.000 1.111 169 R CA 0.897 57.075 56.100 0.129 0.000 0.976 169 R CB -0.365 29.985 30.300 0.082 0.000 0.870 169 R HN 0.307 nan 8.270 nan 0.000 0.445 170 A N 0.812 123.704 122.820 0.119 0.000 1.930 170 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 170 A C 1.940 179.600 177.584 0.127 0.000 1.175 170 A CA 1.052 53.145 52.037 0.094 0.000 0.627 170 A CB -0.243 18.795 19.000 0.063 0.000 0.815 170 A HN 0.092 nan 8.150 nan 0.000 0.443 171 L N -0.976 120.368 121.223 0.201 0.000 2.083 171 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 171 L C 2.307 179.340 176.870 0.272 0.000 1.083 171 L CA 1.114 56.098 54.840 0.240 0.000 0.752 171 L CB -0.893 41.370 42.059 0.341 0.000 0.899 171 L HN 0.268 nan 8.230 nan 0.000 0.433 172 L N -0.971 120.430 121.223 0.296 0.000 2.046 172 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 172 L C 2.612 179.562 176.870 0.134 0.000 1.077 172 L CA 1.590 56.572 54.840 0.235 0.000 0.747 172 L CB -0.948 41.195 42.059 0.139 0.000 0.896 172 L HN 0.335 nan 8.230 nan 0.000 0.432 173 Q N -0.293 119.564 119.800 0.096 0.000 2.096 173 Q HA -0.210 4.129 4.340 -0.000 0.000 0.204 173 Q C 2.219 178.227 176.000 0.013 0.000 0.982 173 Q CA 1.389 57.218 55.803 0.043 0.000 0.850 173 Q CB -0.231 28.530 28.738 0.039 0.000 0.901 173 Q HN 0.532 nan 8.270 nan 0.000 0.422 174 K N -0.029 120.395 120.400 0.040 0.000 2.026 174 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 174 K C 2.217 178.815 176.600 -0.003 0.000 1.048 174 K CA 1.313 57.612 56.287 0.020 0.000 0.929 174 K CB -0.254 32.272 32.500 0.043 0.000 0.713 174 K HN 0.024 nan 8.250 nan 0.000 0.439 175 V N 1.674 121.609 119.914 0.036 0.000 2.332 175 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 175 V C 2.436 178.450 176.094 -0.133 0.000 1.055 175 V CA 2.061 64.372 62.300 0.019 0.000 1.038 175 V CB -0.755 31.148 31.823 0.134 0.000 0.651 175 V HN 0.365 nan 8.190 nan 0.000 0.450 176 A N -0.581 122.107 122.820 -0.220 0.000 1.972 176 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 176 A C 2.295 179.589 177.584 -0.482 0.000 1.169 176 A CA 1.885 53.545 52.037 -0.627 0.000 0.635 176 A CB -0.396 18.330 19.000 -0.456 0.000 0.810 176 A HN 0.550 nan 8.150 nan 0.000 0.446 177 K N -0.166 120.099 120.400 -0.226 0.000 2.026 177 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 177 K C 1.437 177.951 176.600 -0.143 0.000 1.048 177 K CA 1.419 57.617 56.287 -0.148 0.000 0.929 177 K CB -0.170 32.287 32.500 -0.073 0.000 0.713 177 K HN 0.525 nan 8.250 nan 0.000 0.439 178 E N 0.506 120.635 120.200 -0.120 0.000 2.495 178 E HA -0.155 4.195 4.350 -0.000 0.000 0.204 178 E C 0.108 176.664 176.600 -0.074 0.000 1.163 178 E CA 0.660 57.018 56.400 -0.070 0.000 0.922 178 E CB 0.053 29.735 29.700 -0.031 0.000 0.918 178 E HN 0.388 nan 8.360 nan 0.000 0.537 179 E N -1.794 118.329 120.200 -0.129 0.000 2.642 179 E HA 0.133 4.483 4.350 -0.000 0.000 0.206 179 E C 0.436 177.025 176.600 -0.019 0.000 0.939 179 E CA 0.188 56.556 56.400 -0.052 0.000 1.372 179 E CB 1.386 31.074 29.700 -0.021 0.000 1.334 179 E HN 0.148 nan 8.360 nan 0.000 0.709 180 G N 2.329 111.068 108.800 -0.100 0.000 2.520 180 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.264 180 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.264 180 G C -0.468 174.483 174.900 0.084 0.000 1.140 180 G CA 0.231 45.318 45.100 -0.021 0.000 1.012 180 G HN 0.239 nan 8.290 nan 0.000 0.511 181 F N -1.723 118.239 119.950 0.020 0.000 2.641 181 F HA 0.833 5.360 4.527 -0.000 0.000 0.308 181 F C -2.807 172.998 175.800 0.008 0.000 1.105 181 F CA -3.531 54.477 58.000 0.013 0.000 0.964 181 F CB 0.319 39.326 39.000 0.012 0.000 1.294 181 F HN 0.056 nan 8.300 nan 0.000 0.442 182 P HA 0.390 nan 4.420 nan 0.000 0.269 182 P C -1.231 176.234 177.300 0.274 0.000 1.215 182 P CA -0.164 63.043 63.100 0.178 0.000 0.780 182 P CB 0.933 32.703 31.700 0.115 0.000 0.898 183 L N 1.842 123.152 121.223 0.145 0.000 2.534 183 L HA 0.295 4.635 4.340 -0.000 0.000 0.259 183 L C -0.057 176.854 176.870 0.069 0.000 1.108 183 L CA -0.203 54.724 54.840 0.144 0.000 0.905 183 L CB 0.633 42.785 42.059 0.155 0.000 1.138 183 L HN 0.405 nan 8.230 nan 0.000 0.475 184 T N 1.447 116.033 114.554 0.053 0.000 2.860 184 T HA 0.361 4.711 4.350 -0.000 0.000 0.299 184 T C -0.004 174.707 174.700 0.019 0.000 1.045 184 T CA -0.052 62.065 62.100 0.029 0.000 1.071 184 T CB 0.557 69.438 68.868 0.022 0.000 0.985 184 T HN 0.646 nan 8.240 nan 0.000 0.537 185 E N 0.946 121.151 120.200 0.010 0.000 2.199 185 E HA 0.599 4.949 4.350 -0.000 0.000 0.269 185 E C -0.132 176.462 176.600 -0.010 0.000 0.899 185 E CA -1.057 55.342 56.400 -0.002 0.000 0.772 185 E CB 1.927 31.626 29.700 -0.001 0.000 1.155 185 E HN 0.908 nan 8.360 nan 0.000 0.408 186 G N 0.576 109.363 108.800 -0.022 0.000 2.708 186 G HA2 0.450 4.410 3.960 -0.000 0.000 0.289 186 G HA3 0.450 4.410 3.960 -0.000 0.000 0.289 186 G C -1.247 173.631 174.900 -0.037 0.000 1.416 186 G CA -0.485 44.605 45.100 -0.017 0.000 0.829 186 G HN 0.304 nan 8.290 nan 0.000 0.480 187 V N 0.848 120.753 119.914 -0.014 0.000 2.383 187 V HA 0.422 4.542 4.120 -0.000 0.000 0.275 187 V C -0.612 175.518 176.094 0.061 0.000 1.036 187 V CA -0.465 61.832 62.300 -0.005 0.000 0.889 187 V CB 0.979 32.800 31.823 -0.002 0.000 0.985 187 V HN 0.576 nan 8.190 nan 0.000 0.459 188 F N 6.346 126.258 119.950 -0.064 0.000 2.404 188 F HA 0.647 5.174 4.527 -0.000 0.000 0.345 188 F C -0.042 175.790 175.800 0.054 0.000 1.110 188 F CA -0.436 57.562 58.000 -0.003 0.000 1.130 188 F CB 1.563 40.560 39.000 -0.006 0.000 1.129 188 F HN 0.353 nan 8.300 nan 0.000 0.500 189 V N 6.253 125.839 119.914 -0.546 0.000 2.444 189 V HA 0.567 4.687 4.120 -0.000 0.000 0.294 189 V C -0.536 175.221 176.094 -0.563 0.000 1.022 189 V CA -0.148 61.956 62.300 -0.325 0.000 0.850 189 V CB 1.086 32.815 31.823 -0.156 0.000 0.992 189 V HN 0.960 nan 8.190 nan 0.000 0.426 190 S N 5.845 121.426 115.700 -0.199 0.000 2.576 190 S HA 0.563 5.033 4.470 -0.000 0.000 0.276 190 S C -0.783 173.853 174.600 0.060 0.000 1.339 190 S CA -0.241 57.954 58.200 -0.008 0.000 1.039 190 S CB 0.917 64.204 63.200 0.145 0.000 0.902 190 S HN 1.229 nan 8.310 nan 0.000 0.516 191 Y N 3.244 123.526 120.300 -0.030 0.000 2.442 191 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 191 Y C -2.128 173.803 175.900 0.051 0.000 0.976 191 Y CA -2.185 55.907 58.100 -0.013 0.000 1.040 191 Y CB 2.139 40.594 38.460 -0.009 0.000 1.228 191 Y HN 0.503 nan 8.280 nan 0.000 0.451 192 P HA 0.014 nan 4.420 nan 0.000 0.215 192 P C 0.580 177.939 177.300 0.098 0.000 1.153 192 P CA 2.190 65.218 63.100 -0.120 0.000 0.853 192 P CB 0.309 31.883 31.700 -0.210 0.000 0.788 193 G N 0.777 109.495 108.800 -0.137 0.000 2.645 193 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.239 193 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.239 193 G C -1.750 173.146 174.900 -0.006 0.000 1.331 193 G CA 0.261 45.373 45.100 0.020 0.000 0.890 193 G HN 0.211 nan 8.290 nan 0.000 0.572 194 P HA 0.028 nan 4.420 nan 0.000 0.236 194 P C 0.682 177.751 177.300 -0.384 0.000 1.177 194 P CA 0.841 63.694 63.100 -0.412 0.000 0.773 194 P CB -0.350 31.034 31.700 -0.527 0.000 0.878 195 N N 0.517 119.109 118.700 -0.180 0.000 2.415 195 N HA -0.018 4.722 4.740 -0.000 0.000 0.248 195 N C -0.212 175.236 175.510 -0.103 0.000 1.271 195 N CA -0.108 52.870 53.050 -0.119 0.000 0.913 195 N CB 0.399 38.904 38.487 0.030 0.000 1.129 195 N HN -0.151 nan 8.380 nan 0.000 0.444 196 F N 0.195 120.192 119.950 0.079 0.000 2.375 196 F HA 0.164 4.691 4.527 -0.000 0.000 0.313 196 F C 1.042 176.835 175.800 -0.012 0.000 1.176 196 F CA -0.369 57.653 58.000 0.037 0.000 1.142 196 F CB 0.301 39.287 39.000 -0.022 0.000 1.275 196 F HN 0.420 nan 8.300 nan 0.000 0.544 197 E N -0.302 119.858 120.200 -0.067 0.000 2.383 197 E HA 0.236 4.586 4.350 -0.000 0.000 0.264 197 E C -0.022 176.524 176.600 -0.089 0.000 1.050 197 E CA -0.323 55.860 56.400 -0.362 0.000 0.896 197 E CB 0.286 29.611 29.700 -0.624 0.000 0.982 197 E HN 0.547 nan 8.360 nan 0.000 0.424 198 T N -1.248 113.281 114.554 -0.042 0.000 2.828 198 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 198 T C 1.138 175.814 174.700 -0.039 0.000 1.019 198 T CA -0.323 61.775 62.100 -0.005 0.000 1.031 198 T CB 1.364 70.246 68.868 0.025 0.000 1.001 198 T HN 0.420 nan 8.240 nan 0.000 0.531 199 A N 1.091 123.895 122.820 -0.027 0.000 1.930 199 A HA 0.217 4.537 4.320 -0.000 0.000 0.217 199 A C 2.616 180.182 177.584 -0.031 0.000 1.175 199 A CA 1.602 53.618 52.037 -0.035 0.000 0.627 199 A CB -1.484 17.501 19.000 -0.026 0.000 0.815 199 A HN 1.209 nan 8.150 nan 0.000 0.443 200 A N -0.155 122.655 122.820 -0.016 0.000 1.898 200 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 200 A C 1.896 179.472 177.584 -0.013 0.000 1.181 200 A CA 1.600 53.631 52.037 -0.010 0.000 0.620 200 A CB -0.506 18.495 19.000 0.002 0.000 0.819 200 A HN 0.626 nan 8.150 nan 0.000 0.442 201 E N -0.422 119.770 120.200 -0.015 0.000 2.110 201 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 201 E C 1.793 178.359 176.600 -0.056 0.000 0.988 201 E CA 1.052 57.443 56.400 -0.016 0.000 0.804 201 E CB -0.191 29.502 29.700 -0.012 0.000 0.745 201 E HN 0.506 nan 8.360 nan 0.000 0.458 202 I N 0.768 121.289 120.570 -0.080 0.000 2.252 202 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 202 I C 2.305 178.389 176.117 -0.056 0.000 1.102 202 I CA 1.290 62.538 61.300 -0.087 0.000 1.385 202 I CB -0.795 37.152 38.000 -0.088 0.000 1.064 202 I HN 0.052 nan 8.210 nan 0.000 0.414 203 R N -0.157 120.320 120.500 -0.039 0.000 2.096 203 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 203 R C 2.314 178.601 176.300 -0.023 0.000 1.127 203 R CA 1.184 57.268 56.100 -0.028 0.000 0.968 203 R CB -0.261 30.027 30.300 -0.020 0.000 0.861 203 R HN 0.265 nan 8.270 nan 0.000 0.440 204 M N 0.157 119.746 119.600 -0.019 0.000 2.108 204 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 204 M C 1.882 178.173 176.300 -0.014 0.000 1.066 204 M CA 1.858 57.153 55.300 -0.010 0.000 1.107 204 M CB -0.105 32.496 32.600 0.002 0.000 1.356 204 M HN 0.223 nan 8.290 nan 0.000 0.406 205 M N -0.335 119.248 119.600 -0.027 0.000 2.229 205 M HA -0.226 4.254 4.480 -0.000 0.000 0.264 205 M C 2.053 178.333 176.300 -0.033 0.000 1.063 205 M CA 1.632 56.911 55.300 -0.035 0.000 1.114 205 M CB -0.324 32.238 32.600 -0.063 0.000 1.387 205 M HN 0.362 nan 8.290 nan 0.000 0.420 206 Q N 0.421 120.202 119.800 -0.032 0.000 2.016 206 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 206 Q C 2.038 178.027 176.000 -0.018 0.000 0.978 206 Q CA 1.407 57.194 55.803 -0.026 0.000 0.833 206 Q CB -0.202 28.521 28.738 -0.025 0.000 0.895 206 Q HN 0.515 nan 8.270 nan 0.000 0.427 207 I N 0.233 120.794 120.570 -0.015 0.000 2.264 207 I HA -0.276 3.893 4.170 -0.000 0.000 0.248 207 I C 1.954 178.066 176.117 -0.007 0.000 1.111 207 I CA 0.782 62.076 61.300 -0.010 0.000 1.382 207 I CB -0.110 37.886 38.000 -0.008 0.000 1.060 207 I HN 0.209 nan 8.210 nan 0.000 0.418 208 I N 0.382 120.947 120.570 -0.008 0.000 2.830 208 I HA -0.087 4.082 4.170 -0.000 0.000 0.263 208 I C 1.669 177.784 176.117 -0.004 0.000 1.230 208 I CA 1.173 62.471 61.300 -0.004 0.000 1.480 208 I CB -0.450 37.549 38.000 -0.001 0.000 1.095 208 I HN 0.398 nan 8.210 nan 0.000 0.455 209 G N -0.795 108.000 108.800 -0.008 0.000 2.175 209 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.182 209 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.182 209 G C 0.733 175.626 174.900 -0.011 0.000 1.003 209 G CA -0.242 44.854 45.100 -0.008 0.000 0.666 209 G HN 0.723 nan 8.290 nan 0.000 0.506 210 G N -0.692 108.095 108.800 -0.020 0.000 2.539 210 G HA2 0.504 4.464 3.960 -0.000 0.000 0.258 210 G HA3 0.504 4.464 3.960 -0.000 0.000 0.258 210 G C 0.297 175.179 174.900 -0.031 0.000 1.202 210 G CA 0.472 45.553 45.100 -0.031 0.000 0.851 210 G HN 0.076 nan 8.290 nan 0.000 0.556 211 D N -0.954 119.429 120.400 -0.028 0.000 2.457 211 D HA 0.104 4.744 4.640 -0.000 0.000 0.254 211 D C 0.394 176.683 176.300 -0.019 0.000 1.097 211 D CA 0.489 54.478 54.000 -0.018 0.000 0.870 211 D CB 1.315 42.112 40.800 -0.004 0.000 1.253 211 D HN 0.159 nan 8.370 nan 0.000 0.500 212 V N 1.114 121.011 119.914 -0.028 0.000 2.962 212 V HA 0.502 4.622 4.120 -0.000 0.000 0.313 212 V C -0.726 175.242 176.094 -0.210 0.000 1.099 212 V CA -0.967 61.319 62.300 -0.023 0.000 0.971 212 V CB 3.211 35.116 31.823 0.137 0.000 1.028 212 V HN -0.147 nan 8.190 nan 0.000 0.430 213 V N 2.183 121.972 119.914 -0.208 0.000 2.709 213 V HA 1.033 5.153 4.120 -0.000 0.000 0.308 213 V C -0.009 175.956 176.094 -0.215 0.000 1.062 213 V CA 0.647 62.729 62.300 -0.363 0.000 0.901 213 V CB 1.621 33.317 31.823 -0.210 0.000 1.003 213 V HN 1.188 nan 8.190 nan 0.000 0.425 214 G N 4.384 112.997 108.800 -0.312 0.000 2.645 214 G HA2 0.478 4.438 3.960 -0.000 0.000 0.292 214 G HA3 0.478 4.438 3.960 -0.000 0.000 0.292 214 G C -0.564 174.551 174.900 0.358 0.000 1.415 214 G CA -0.603 44.646 45.100 0.248 0.000 0.785 214 G HN 0.674 nan 8.290 nan 0.000 0.483 215 M N 0.885 120.754 119.600 0.449 0.000 2.404 215 M HA 0.264 4.744 4.480 -0.000 0.000 0.271 215 M C 0.875 177.436 176.300 0.435 0.000 1.128 215 M CA -0.056 55.504 55.300 0.434 0.000 0.982 215 M CB 0.445 33.327 32.600 0.469 0.000 1.445 215 M HN 0.568 nan 8.290 nan 0.000 0.495 216 S N -2.154 113.809 115.700 0.439 0.000 3.952 216 S HA 0.685 5.155 4.470 -0.000 0.000 0.293 216 S C 0.911 175.580 174.600 0.116 0.000 1.090 216 S CA -0.175 58.165 58.200 0.233 0.000 1.264 216 S CB 1.559 64.851 63.200 0.154 0.000 1.393 216 S HN 0.000 nan 8.310 nan 0.000 0.757 217 V N -0.674 119.209 119.914 -0.052 0.000 0.588 217 V HA -0.355 3.765 4.120 -0.000 0.000 0.092 217 V C 2.000 178.041 176.094 -0.088 0.000 1.830 217 V CA 1.887 64.082 62.300 -0.174 0.000 3.401 217 V CB -2.411 29.025 31.823 -0.644 0.000 0.689 217 V HN 0.759 nan 8.190 nan 0.000 0.712 218 V N 1.434 121.313 119.914 -0.057 0.000 2.278 218 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 218 V C 0.282 176.338 176.094 -0.064 0.000 1.062 218 V CA 3.389 65.610 62.300 -0.131 0.000 1.038 218 V CB -1.671 30.041 31.823 -0.185 0.000 0.646 218 V HN 0.558 nan 8.190 nan 0.000 0.447 219 P HA -0.119 nan 4.420 nan 0.000 0.214 219 P C 1.550 178.822 177.300 -0.047 0.000 1.162 219 P CA 1.356 64.434 63.100 -0.036 0.000 0.879 219 P CB -0.005 31.674 31.700 -0.035 0.000 0.786 220 E N -0.631 119.533 120.200 -0.061 0.000 2.038 220 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 220 E C 2.036 178.612 176.600 -0.040 0.000 1.000 220 E CA 1.168 57.530 56.400 -0.063 0.000 0.803 220 E CB -1.396 28.273 29.700 -0.052 0.000 0.750 220 E HN -0.010 nan 8.360 nan 0.000 0.448 221 V N 1.042 120.939 119.914 -0.027 0.000 2.295 221 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 221 V C 2.233 178.348 176.094 0.035 0.000 1.049 221 V CA 1.712 63.992 62.300 -0.032 0.000 1.024 221 V CB -0.484 31.321 31.823 -0.030 0.000 0.648 221 V HN 0.265 nan 8.190 nan 0.000 0.447 222 I N 0.012 120.648 120.570 0.110 0.000 2.208 222 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 222 I C 2.574 178.781 176.117 0.151 0.000 1.097 222 I CA 1.639 63.071 61.300 0.220 0.000 1.363 222 I CB -0.404 37.730 38.000 0.224 0.000 1.051 222 I HN 0.268 nan 8.210 nan 0.000 0.413 223 S N 0.626 116.342 115.700 0.026 0.000 2.382 223 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 223 S C 2.205 176.761 174.600 -0.072 0.000 1.027 223 S CA 1.319 59.480 58.200 -0.064 0.000 0.991 223 S CB -0.279 62.847 63.200 -0.123 0.000 0.823 223 S HN 0.556 nan 8.310 nan 0.000 0.469 224 A N 2.146 124.939 122.820 -0.046 0.000 1.873 224 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 224 A C 2.143 179.695 177.584 -0.053 0.000 1.186 224 A CA 0.967 52.977 52.037 -0.045 0.000 0.616 224 A CB -0.363 18.616 19.000 -0.035 0.000 0.823 224 A HN 0.233 nan 8.150 nan 0.000 0.442 225 R N -0.438 120.051 120.500 -0.017 0.000 2.091 225 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 225 R C 2.105 178.315 176.300 -0.150 0.000 1.136 225 R CA 1.577 57.684 56.100 0.011 0.000 0.959 225 R CB -1.404 29.003 30.300 0.179 0.000 0.856 225 R HN 0.852 nan 8.270 nan 0.000 0.437 226 H N 0.647 119.376 119.070 -0.569 0.000 2.353 226 H HA -0.131 4.424 4.556 -0.000 0.000 0.298 226 H C 1.076 176.119 175.328 -0.476 0.000 1.103 226 H CA 1.965 57.349 56.048 -1.107 0.000 1.293 226 H CB 0.186 29.267 29.762 -1.135 0.000 1.372 226 H HN 0.346 nan 8.280 nan 0.000 0.501 227 C N 0.867 119.978 119.300 -0.315 0.000 2.525 227 C HA 0.241 4.701 4.460 -0.000 0.000 0.313 227 C C 0.348 175.264 174.990 -0.123 0.000 1.311 227 C CA -0.008 58.890 59.018 -0.201 0.000 1.725 227 C CB -1.484 26.246 27.740 -0.016 0.000 1.926 227 C HN 0.589 nan 8.230 nan 0.000 0.595 228 D N 0.281 120.597 120.400 -0.140 0.000 2.697 228 D HA -0.190 4.450 4.640 -0.000 0.000 0.238 228 D C -0.453 175.830 176.300 -0.028 0.000 1.152 228 D CA 0.628 54.587 54.000 -0.070 0.000 0.666 228 D CB -1.069 39.690 40.800 -0.068 0.000 1.037 228 D HN 0.762 nan 8.370 nan 0.000 0.423 229 L N 1.064 122.274 121.223 -0.022 0.000 2.333 229 L HA 0.389 4.729 4.340 -0.000 0.000 0.280 229 L C 0.514 177.386 176.870 0.004 0.000 1.004 229 L CA -0.918 53.925 54.840 0.004 0.000 0.820 229 L CB 1.071 43.137 42.059 0.012 0.000 1.247 229 L HN -0.026 nan 8.230 nan 0.000 0.416 230 K N 2.593 123.016 120.400 0.038 0.000 2.295 230 K HA 0.383 4.703 4.320 -0.000 0.000 0.270 230 K C -0.853 175.755 176.600 0.013 0.000 1.011 230 K CA -0.345 55.984 56.287 0.070 0.000 0.953 230 K CB 1.573 34.212 32.500 0.232 0.000 0.956 230 K HN 0.326 nan 8.250 nan 0.000 0.477 231 V N 2.313 122.210 119.914 -0.028 0.000 2.864 231 V HA 0.465 4.585 4.120 -0.000 0.000 0.314 231 V C -0.775 175.235 176.094 -0.139 0.000 1.073 231 V CA -0.844 61.373 62.300 -0.138 0.000 0.956 231 V CB 2.208 33.874 31.823 -0.261 0.000 1.023 231 V HN 0.436 nan 8.190 nan 0.000 0.435 232 V N 2.375 122.123 119.914 -0.276 0.000 2.711 232 V HA 0.878 4.997 4.120 -0.000 0.000 0.304 232 V C -0.359 175.436 176.094 -0.498 0.000 1.097 232 V CA -0.360 61.686 62.300 -0.422 0.000 0.906 232 V CB 1.796 33.117 31.823 -0.837 0.000 1.015 232 V HN 1.090 nan 8.190 nan 0.000 0.427 233 A N 4.160 126.828 122.820 -0.253 0.000 2.422 233 A HA 0.970 5.289 4.320 -0.000 0.000 0.302 233 A C -1.442 176.093 177.584 -0.082 0.000 1.041 233 A CA -0.620 51.344 52.037 -0.121 0.000 0.708 233 A CB 2.186 21.251 19.000 0.109 0.000 1.257 233 A HN 0.815 nan 8.150 nan 0.000 0.414 234 V N 1.485 121.438 119.914 0.065 0.000 2.623 234 V HA 0.519 4.639 4.120 -0.000 0.000 0.304 234 V C -0.032 176.177 176.094 0.191 0.000 1.054 234 V CA -0.530 61.830 62.300 0.100 0.000 0.882 234 V CB 1.985 33.893 31.823 0.142 0.000 1.002 234 V HN 0.889 nan 8.190 nan 0.000 0.424 235 S N 2.979 118.727 115.700 0.079 0.000 2.489 235 S HA 0.755 5.225 4.470 -0.000 0.000 0.291 235 S C 0.199 174.844 174.600 0.076 0.000 1.151 235 S CA -0.372 57.917 58.200 0.149 0.000 1.082 235 S CB 1.673 64.976 63.200 0.172 0.000 1.019 235 S HN 1.060 nan 8.310 nan 0.000 0.492 236 A N 3.727 126.669 122.820 0.203 0.000 2.260 236 A HA 0.504 4.824 4.320 -0.000 0.000 0.312 236 A C -0.013 177.638 177.584 0.111 0.000 1.321 236 A CA -0.620 51.502 52.037 0.141 0.000 0.928 236 A CB -0.120 19.076 19.000 0.326 0.000 1.158 236 A HN 0.709 nan 8.150 nan 0.000 0.542 237 I N 4.067 124.666 120.570 0.048 0.000 2.505 237 I HA 0.019 4.189 4.170 -0.000 0.000 0.287 237 I C 1.630 177.773 176.117 0.043 0.000 1.104 237 I CA 0.724 62.053 61.300 0.048 0.000 1.387 237 I CB 0.051 38.062 38.000 0.018 0.000 1.404 237 I HN 0.786 nan 8.210 nan 0.000 0.528 238 T N 2.570 117.156 114.554 0.054 0.000 3.060 238 T HA 0.145 4.495 4.350 -0.000 0.000 0.249 238 T C 0.521 175.220 174.700 -0.001 0.000 1.079 238 T CA -0.189 61.933 62.100 0.036 0.000 1.013 238 T CB 0.071 68.974 68.868 0.057 0.000 0.975 238 T HN 0.735 nan 8.240 nan 0.000 0.518 264 N N 0.159 118.826 118.700 -0.055 0.000 2.120 264 N HA -0.069 4.671 4.740 -0.000 0.000 0.188 264 N C 1.363 176.805 175.510 -0.113 0.000 1.024 264 N CA 1.169 54.078 53.050 -0.236 0.000 0.852 264 N CB -0.266 37.767 38.487 -0.757 0.000 1.003 264 N HN 0.151 nan 8.380 nan 0.000 0.424 265 F N 1.844 121.686 119.950 -0.179 0.000 2.102 265 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 265 F C 2.211 178.001 175.800 -0.017 0.000 1.105 265 F CA 0.630 58.585 58.000 -0.075 0.000 1.239 265 F CB -0.609 38.359 39.000 -0.055 0.000 0.991 265 F HN -0.048 nan 8.300 nan 0.000 0.474 266 I N -0.090 120.588 120.570 0.180 0.000 2.208 266 I HA -0.387 3.783 4.170 -0.000 0.000 0.245 266 I C 1.908 178.093 176.117 0.114 0.000 1.097 266 I CA 1.888 63.227 61.300 0.066 0.000 1.363 266 I CB -0.683 37.325 38.000 0.012 0.000 1.051 266 I HN 0.205 nan 8.210 nan 0.000 0.413 267 N N 0.554 119.355 118.700 0.167 0.000 2.188 267 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 267 N C 1.830 177.501 175.510 0.268 0.000 1.018 267 N CA 0.693 53.864 53.050 0.202 0.000 0.858 267 N CB -0.073 38.559 38.487 0.243 0.000 0.989 267 N HN 0.179 nan 8.380 nan 0.000 0.426 268 L N 1.300 122.749 121.223 0.377 0.000 2.017 268 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 268 L C 1.797 178.877 176.870 0.350 0.000 1.073 268 L CA 1.448 56.544 54.840 0.426 0.000 0.745 268 L CB -0.373 42.008 42.059 0.536 0.000 0.894 268 L HN 0.169 nan 8.230 nan 0.000 0.432 269 I N -1.324 119.406 120.570 0.267 0.000 2.142 269 I HA -0.376 3.794 4.170 -0.000 0.000 0.240 269 I C 2.511 178.730 176.117 0.169 0.000 1.078 269 I CA 1.520 62.891 61.300 0.119 0.000 1.343 269 I CB -0.480 37.432 38.000 -0.146 0.000 1.046 269 I HN 0.376 nan 8.210 nan 0.000 0.405 270 C N 0.786 120.151 119.300 0.108 0.000 2.425 270 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 270 C C 2.920 177.992 174.990 0.137 0.000 1.280 270 C CA 1.058 60.133 59.018 0.094 0.000 1.744 270 C CB -1.720 26.052 27.740 0.053 0.000 1.989 270 C HN 0.694 nan 8.230 nan 0.000 0.491 271 G N -0.646 108.258 108.800 0.174 0.000 2.408 271 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 271 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 271 G C 1.390 176.407 174.900 0.195 0.000 1.150 271 G CA 0.616 45.812 45.100 0.159 0.000 0.776 271 G HN 0.496 nan 8.290 nan 0.000 0.542 272 F N 0.782 120.819 119.950 0.146 0.000 2.134 272 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 272 F C 2.272 178.157 175.800 0.140 0.000 1.097 272 F CA 0.797 58.902 58.000 0.175 0.000 1.264 272 F CB -0.155 39.020 39.000 0.293 0.000 1.001 272 F HN 0.030 nan 8.300 nan 0.000 0.479 273 L N 1.025 122.361 121.223 0.188 0.000 2.012 273 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 273 L C 2.667 179.523 176.870 -0.023 0.000 1.073 273 L CA 1.842 56.723 54.840 0.069 0.000 0.748 273 L CB -1.366 40.787 42.059 0.156 0.000 0.891 273 L HN 0.209 nan 8.230 nan 0.000 0.431 274 R N -0.129 120.381 120.500 0.017 0.000 2.091 274 R HA -0.192 4.148 4.340 -0.000 0.000 0.238 274 R C 2.073 178.352 176.300 -0.035 0.000 1.136 274 R CA 1.617 57.720 56.100 0.004 0.000 0.959 274 R CB -0.072 30.246 30.300 0.029 0.000 0.856 274 R HN 0.289 nan 8.270 nan 0.000 0.437 275 K N -0.034 120.325 120.400 -0.068 0.000 2.439 275 K HA -0.015 4.305 4.320 -0.000 0.000 0.197 275 K C 1.690 178.209 176.600 -0.135 0.000 1.041 275 K CA 0.578 56.814 56.287 -0.084 0.000 0.970 275 K CB 0.141 32.605 32.500 -0.060 0.000 0.773 275 K HN 0.333 nan 8.250 nan 0.000 0.479 276 I N 0.267 120.708 120.570 -0.214 0.000 4.057 276 I HA 0.084 4.254 4.170 -0.000 0.000 0.334 276 I C 0.547 176.610 176.117 -0.089 0.000 1.308 276 I CA -0.134 61.052 61.300 -0.190 0.000 1.125 276 I CB 0.154 37.939 38.000 -0.358 0.000 1.034 276 I HN -0.043 nan 8.210 nan 0.000 0.401 277 A N 0.000 122.783 122.820 -0.062 0.000 2.254 277 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 277 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 277 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 277 A HN 0.000 nan 8.150 nan 0.000 0.486