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 2gl6_1_H DATA FIRST_RESID 47 DATA SEQUENCE LFPPSADYPD LRKHNNCMAE CLTPAIYAKL RNKVTPNGYT LDQCIQTGVD DATA SEQUENCE NPGHPFIKTV GMVAGDEESY EVFADLFDPV IKLRHNGYDP RVMKHTTDLD DATA SEQUENCE ASKITQGQFD EHYVLSSRVR TGRSIRGLSL PPACTRAERR EVENVAITAL DATA SEQUENCE EGLKGDLAGR YYKLSEMTEQ DQQRLIDDHF LFDKPVSPLL TCAGMARDWP DATA SEQUENCE DARGIWHNYD KTFLIWINEE DHTRVISMEK GGNMKRVFER FCRGLKEVER DATA SEQUENCE LIQERGWEFM WNERLGYILT CPSNLGTGLR AGVHVRIPKL SKDPRFSKIL DATA SEQUENCE ENLRLQKRGT GGVDTAAVAD VYDISNIDRI GRSEVELVQI VIDGVNYLVD DATA SEQUENCE CEKKL 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 47 L HA 0.000 nan 4.340 nan 0.000 0.249 47 L C 0.000 176.703 176.870 -0.279 0.000 1.165 47 L CA 0.000 54.798 54.840 -0.070 0.000 0.813 47 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 48 F N 0.152 120.118 119.950 0.026 0.000 2.664 48 F HA 0.737 5.266 4.527 0.004 0.000 0.317 48 F C -2.042 173.779 175.800 0.036 0.000 1.108 48 F CA -1.872 56.146 58.000 0.030 0.000 0.957 48 F CB 0.565 39.585 39.000 0.034 0.000 1.365 48 F HN -0.279 nan 8.300 nan 0.000 0.475 49 P HA 0.142 nan 4.420 nan 0.000 0.269 49 P C -2.241 175.166 177.300 0.178 0.000 1.209 49 P CA -0.859 62.334 63.100 0.154 0.000 0.776 49 P CB 0.261 32.036 31.700 0.126 0.000 0.876 50 P HA -0.192 nan 4.420 nan 0.000 0.216 50 P C 1.270 178.747 177.300 0.295 0.000 1.157 50 P CA 1.745 64.963 63.100 0.197 0.000 0.880 50 P CB -0.177 31.600 31.700 0.128 0.000 0.791 51 S N -0.742 115.078 115.700 0.199 0.000 2.442 51 S HA -0.103 4.369 4.470 0.003 0.000 0.236 51 S C 1.982 176.645 174.600 0.105 0.000 1.007 51 S CA 1.097 59.385 58.200 0.146 0.000 0.965 51 S CB -0.934 62.290 63.200 0.039 0.000 0.773 51 S HN 0.173 nan 8.310 nan 0.000 0.504 52 A N 1.594 124.476 122.820 0.104 0.000 2.019 52 A HA -0.125 4.197 4.320 0.003 0.000 0.219 52 A C 1.655 179.226 177.584 -0.022 0.000 1.164 52 A CA 1.306 53.360 52.037 0.028 0.000 0.644 52 A CB -0.277 18.758 19.000 0.059 0.000 0.805 52 A HN 0.327 nan 8.150 nan 0.000 0.449 53 D N -2.186 118.260 120.400 0.076 0.000 2.339 53 D HA 0.059 4.701 4.640 0.003 0.000 0.217 53 D C -0.336 175.852 176.300 -0.186 0.000 1.050 53 D CA -0.086 53.935 54.000 0.035 0.000 0.856 53 D CB -0.090 40.848 40.800 0.230 0.000 0.922 53 D HN 0.484 nan 8.370 nan 0.000 0.518 54 Y N 3.531 123.594 120.300 -0.394 0.000 2.632 54 Y HA 0.067 4.619 4.550 0.003 0.000 0.329 54 Y C -1.790 173.806 175.900 -0.507 0.000 1.174 54 Y CA -1.659 56.004 58.100 -0.727 0.000 1.469 54 Y CB 0.390 38.604 38.460 -0.411 0.000 1.242 54 Y HN -0.041 nan 8.280 nan 0.000 0.540 55 P HA 0.022 nan 4.420 nan 0.000 0.272 55 P C -1.095 175.874 177.300 -0.552 0.000 1.223 55 P CA -0.252 62.446 63.100 -0.669 0.000 0.784 55 P CB 0.848 32.142 31.700 -0.677 0.000 0.923 56 D N 1.952 122.151 120.400 -0.335 0.000 2.411 56 D HA 0.145 4.787 4.640 0.003 0.000 0.225 56 D C 0.284 176.369 176.300 -0.359 0.000 1.156 56 D CA -0.148 53.716 54.000 -0.226 0.000 0.874 56 D CB -0.251 40.482 40.800 -0.110 0.000 1.034 56 D HN 0.222 nan 8.370 nan 0.000 0.502 57 L N 3.489 124.480 121.223 -0.387 0.000 2.872 57 L HA 0.296 4.638 4.340 0.003 0.000 0.245 57 L C 1.001 177.817 176.870 -0.090 0.000 1.211 57 L CA -0.401 54.087 54.840 -0.586 0.000 1.013 57 L CB 0.003 41.783 42.059 -0.464 0.000 1.326 57 L HN 0.073 nan 8.230 nan 0.000 0.525 58 R N 0.880 121.399 120.500 0.031 0.000 2.590 58 R HA 0.297 4.639 4.340 0.003 0.000 0.274 58 R C 1.204 177.627 176.300 0.205 0.000 1.061 58 R CA 0.718 56.877 56.100 0.098 0.000 1.081 58 R CB 0.190 30.520 30.300 0.051 0.000 0.984 58 R HN 0.153 nan 8.270 nan 0.000 0.448 59 K N 0.186 120.652 120.400 0.109 0.000 3.407 59 K HA -0.204 4.118 4.320 0.003 0.000 0.312 59 K C -0.804 175.795 176.600 -0.001 0.000 1.302 59 K CA 2.040 58.352 56.287 0.041 0.000 0.931 59 K CB -2.742 29.755 32.500 -0.005 0.000 1.257 59 K HN 0.821 nan 8.250 nan 0.000 0.454 60 H N 0.341 119.393 119.070 -0.029 0.000 2.597 60 H HA 0.562 5.120 4.556 0.003 0.000 0.303 60 H C -0.018 175.296 175.328 -0.022 0.000 1.057 60 H CA -0.749 55.280 56.048 -0.031 0.000 1.261 60 H CB 1.143 30.877 29.762 -0.047 0.000 1.397 60 H HN 0.446 nan 8.280 nan 0.000 0.461 61 N N 3.003 121.728 118.700 0.041 0.000 3.194 61 N HA 0.125 4.867 4.740 0.003 0.000 0.271 61 N C -0.895 174.635 175.510 0.034 0.000 1.308 61 N CA -0.757 52.312 53.050 0.031 0.000 1.042 61 N CB 0.131 38.622 38.487 0.007 0.000 1.310 61 N HN 0.679 nan 8.380 nan 0.000 0.502 62 N N -2.115 116.615 118.700 0.050 0.000 2.405 62 N HA 0.348 5.090 4.740 0.003 0.000 0.285 62 N C 0.173 175.700 175.510 0.028 0.000 1.262 62 N CA -0.879 52.193 53.050 0.038 0.000 0.773 62 N CB 0.567 39.082 38.487 0.046 0.000 1.490 62 N HN -0.088 nan 8.380 nan 0.000 0.486 63 C N -0.594 118.719 119.300 0.022 0.000 2.429 63 C HA -0.071 4.391 4.460 0.003 0.000 0.277 63 C C 2.568 177.566 174.990 0.013 0.000 1.262 63 C CA 0.464 59.495 59.018 0.022 0.000 1.733 63 C CB -1.081 26.678 27.740 0.031 0.000 2.010 63 C HN 0.788 nan 8.230 nan 0.000 0.483 64 M N 1.898 121.496 119.600 -0.003 0.000 2.080 64 M HA -0.143 4.339 4.480 0.003 0.000 0.260 64 M C 2.331 178.606 176.300 -0.043 0.000 1.068 64 M CA 2.574 57.849 55.300 -0.041 0.000 1.109 64 M CB -0.996 31.561 32.600 -0.072 0.000 1.342 64 M HN 0.344 nan 8.290 nan 0.000 0.405 65 A N -0.234 122.566 122.820 -0.032 0.000 1.969 65 A HA -0.163 4.159 4.320 0.003 0.000 0.218 65 A C 1.870 179.447 177.584 -0.011 0.000 1.169 65 A CA 1.708 53.716 52.037 -0.049 0.000 0.635 65 A CB -0.694 18.298 19.000 -0.013 0.000 0.810 65 A HN 0.710 nan 8.150 nan 0.000 0.445 66 E N -1.173 119.033 120.200 0.009 0.000 2.150 66 E HA -0.131 4.220 4.350 0.003 0.000 0.193 66 E C 1.651 178.265 176.600 0.024 0.000 0.985 66 E CA 1.279 57.691 56.400 0.020 0.000 0.814 66 E CB -0.181 29.533 29.700 0.023 0.000 0.752 66 E HN 0.695 nan 8.360 nan 0.000 0.466 67 C N 0.092 119.404 119.300 0.020 0.000 2.674 67 C HA 0.233 4.695 4.460 0.003 0.000 0.276 67 C C 0.832 175.845 174.990 0.039 0.000 1.300 67 C CA -0.893 58.143 59.018 0.030 0.000 1.732 67 C CB -0.471 27.288 27.740 0.031 0.000 2.076 67 C HN 0.286 nan 8.230 nan 0.000 0.548 68 L N 3.024 124.263 121.223 0.026 0.000 2.453 68 L HA 0.348 4.689 4.340 0.003 0.000 0.272 68 L C 0.531 177.493 176.870 0.153 0.000 1.182 68 L CA 1.388 56.267 54.840 0.065 0.000 0.858 68 L CB 0.458 42.506 42.059 -0.018 0.000 1.120 68 L HN 0.439 nan 8.230 nan 0.000 0.474 69 T N 1.561 116.240 114.554 0.209 0.000 2.906 69 T HA 0.547 4.899 4.350 0.003 0.000 0.295 69 T C -2.151 172.679 174.700 0.217 0.000 1.075 69 T CA -1.676 60.534 62.100 0.183 0.000 1.005 69 T CB 1.618 70.536 68.868 0.082 0.000 1.136 69 T HN 0.350 nan 8.240 nan 0.000 0.498 70 P HA -0.152 nan 4.420 nan 0.000 0.216 70 P C 1.721 179.030 177.300 0.015 0.000 1.157 70 P CA 2.138 65.080 63.100 -0.264 0.000 0.880 70 P CB -0.265 31.214 31.700 -0.368 0.000 0.791 71 A N -1.102 121.730 122.820 0.020 0.000 1.902 71 A HA -0.192 4.129 4.320 0.003 0.000 0.217 71 A C 2.240 179.874 177.584 0.083 0.000 1.181 71 A CA 1.624 53.688 52.037 0.044 0.000 0.623 71 A CB -1.604 17.412 19.000 0.026 0.000 0.818 71 A HN 0.126 nan 8.150 nan 0.000 0.443 72 I N -2.393 118.245 120.570 0.113 0.000 2.252 72 I HA -0.222 3.950 4.170 0.003 0.000 0.245 72 I C 2.444 178.641 176.117 0.133 0.000 1.102 72 I CA 1.525 62.893 61.300 0.113 0.000 1.385 72 I CB -0.394 37.674 38.000 0.113 0.000 1.064 72 I HN 0.498 nan 8.210 nan 0.000 0.414 73 Y N 1.686 122.056 120.300 0.117 0.000 2.097 73 Y HA -0.317 4.235 4.550 0.003 0.000 0.282 73 Y C 2.559 178.518 175.900 0.097 0.000 1.152 73 Y CA 1.722 59.898 58.100 0.128 0.000 1.136 73 Y CB -0.366 38.275 38.460 0.302 0.000 0.975 73 Y HN 0.123 nan 8.280 nan 0.000 0.498 74 A N -0.045 122.876 122.820 0.168 0.000 1.930 74 A HA -0.200 4.122 4.320 0.003 0.000 0.217 74 A C 2.271 179.854 177.584 -0.002 0.000 1.175 74 A CA 1.824 53.908 52.037 0.079 0.000 0.627 74 A CB -0.719 18.341 19.000 0.099 0.000 0.815 74 A HN 0.524 nan 8.150 nan 0.000 0.443 75 K N -0.437 119.971 120.400 0.013 0.000 2.057 75 K HA 0.008 4.330 4.320 0.003 0.000 0.206 75 K C 1.598 178.198 176.600 -0.000 0.000 1.050 75 K CA 1.306 57.600 56.287 0.012 0.000 0.935 75 K CB -0.194 32.325 32.500 0.032 0.000 0.715 75 K HN 0.487 nan 8.250 nan 0.000 0.439 76 L N -0.163 121.045 121.223 -0.024 0.000 2.416 76 L HA 0.104 4.446 4.340 0.003 0.000 0.216 76 L C 2.512 179.355 176.870 -0.045 0.000 1.098 76 L CA 0.025 54.887 54.840 0.037 0.000 0.840 76 L CB -0.255 41.880 42.059 0.127 0.000 0.981 76 L HN 0.169 nan 8.230 nan 0.000 0.462 77 R N 1.060 121.390 120.500 -0.282 0.000 2.113 77 R HA -0.205 4.137 4.340 0.003 0.000 0.244 77 R C 1.548 177.777 176.300 -0.117 0.000 1.142 77 R CA 1.953 57.827 56.100 -0.377 0.000 0.953 77 R CB -0.056 29.979 30.300 -0.442 0.000 0.860 77 R HN 0.407 nan 8.270 nan 0.000 0.438 78 N N 0.649 119.322 118.700 -0.044 0.000 2.412 78 N HA -0.019 4.723 4.740 0.003 0.000 0.184 78 N C -0.256 175.278 175.510 0.040 0.000 1.101 78 N CA 0.523 53.577 53.050 0.005 0.000 0.881 78 N CB 0.265 38.757 38.487 0.007 0.000 0.969 78 N HN 0.219 nan 8.380 nan 0.000 0.459 79 K N 0.993 121.439 120.400 0.077 0.000 2.326 79 K HA 0.261 4.583 4.320 0.003 0.000 0.275 79 K C 0.043 176.730 176.600 0.144 0.000 1.018 79 K CA -0.211 56.119 56.287 0.072 0.000 0.962 79 K CB 1.477 33.989 32.500 0.019 0.000 0.953 79 K HN -0.142 nan 8.250 nan 0.000 0.475 80 V N -1.447 118.505 119.914 0.062 0.000 2.962 80 V HA 0.484 4.606 4.120 0.003 0.000 0.313 80 V C 0.036 176.143 176.094 0.022 0.000 1.099 80 V CA -1.093 61.276 62.300 0.115 0.000 0.971 80 V CB 1.553 33.435 31.823 0.098 0.000 1.028 80 V HN 0.913 nan 8.190 nan 0.000 0.430 81 T N -0.217 114.389 114.554 0.086 0.000 2.849 81 T HA 0.465 4.817 4.350 0.003 0.000 0.284 81 T C -1.577 173.161 174.700 0.063 0.000 1.004 81 T CA -1.196 60.930 62.100 0.043 0.000 1.021 81 T CB 0.934 69.876 68.868 0.123 0.000 1.013 81 T HN 0.585 nan 8.240 nan 0.000 0.527 82 P HA -0.134 nan 4.420 nan 0.000 0.218 82 P C 1.137 178.476 177.300 0.065 0.000 1.152 82 P CA 1.212 64.339 63.100 0.044 0.000 0.857 82 P CB -0.039 31.683 31.700 0.036 0.000 0.787 83 N N -1.860 116.893 118.700 0.090 0.000 2.370 83 N HA 0.053 4.794 4.740 0.003 0.000 0.198 83 N C 1.009 176.602 175.510 0.140 0.000 1.156 83 N CA 0.931 54.045 53.050 0.106 0.000 0.839 83 N CB 0.071 38.622 38.487 0.107 0.000 0.989 83 N HN 0.137 nan 8.380 nan 0.000 0.468 84 G N 0.856 109.741 108.800 0.143 0.000 2.143 84 G HA2 -0.313 3.649 3.960 0.003 0.000 0.249 84 G HA3 -0.313 3.649 3.960 0.003 0.000 0.249 84 G C -0.112 174.903 174.900 0.192 0.000 0.981 84 G CA -0.153 45.031 45.100 0.140 0.000 0.665 84 G HN 0.444 nan 8.290 nan 0.000 0.528 85 Y N 2.633 123.010 120.300 0.127 0.000 2.425 85 Y HA 0.464 5.016 4.550 0.003 0.000 0.331 85 Y C 1.242 177.296 175.900 0.257 0.000 1.157 85 Y CA 0.720 58.917 58.100 0.162 0.000 1.372 85 Y CB 0.801 39.368 38.460 0.178 0.000 1.253 85 Y HN 0.433 nan 8.280 nan 0.000 0.536 86 T N 2.939 117.277 114.554 -0.360 0.000 2.942 86 T HA 0.268 4.620 4.350 0.003 0.000 0.289 86 T C 0.600 174.925 174.700 -0.625 0.000 1.044 86 T CA -0.877 61.103 62.100 -0.201 0.000 1.023 86 T CB 1.395 70.148 68.868 -0.191 0.000 1.123 86 T HN 0.641 nan 8.240 nan 0.000 0.512 87 L N 0.724 121.510 121.223 -0.728 0.000 2.046 87 L HA 0.028 4.370 4.340 0.003 0.000 0.208 87 L C 1.872 178.434 176.870 -0.514 0.000 1.077 87 L CA 2.047 56.309 54.840 -0.962 0.000 0.747 87 L CB -1.048 40.608 42.059 -0.671 0.000 0.896 87 L HN 0.738 nan 8.230 nan 0.000 0.432 88 D N -0.768 119.439 120.400 -0.320 0.000 2.149 88 D HA -0.207 4.435 4.640 0.003 0.000 0.198 88 D C 2.204 178.367 176.300 -0.230 0.000 0.990 88 D CA 1.262 55.153 54.000 -0.182 0.000 0.839 88 D CB -0.066 40.677 40.800 -0.094 0.000 0.948 88 D HN 0.532 nan 8.370 nan 0.000 0.460 89 Q N -0.248 119.335 119.800 -0.361 0.000 2.020 89 Q HA -0.128 4.214 4.340 0.003 0.000 0.202 89 Q C 2.526 178.391 176.000 -0.225 0.000 0.982 89 Q CA 1.323 56.897 55.803 -0.381 0.000 0.838 89 Q CB -0.234 28.006 28.738 -0.830 0.000 0.899 89 Q HN 0.318 nan 8.270 nan 0.000 0.423 90 C N 0.837 119.962 119.300 -0.291 0.000 2.376 90 C HA -0.194 4.268 4.460 0.003 0.000 0.275 90 C C 2.582 177.510 174.990 -0.103 0.000 1.200 90 C CA 1.224 60.213 59.018 -0.048 0.000 1.756 90 C CB -1.251 26.333 27.740 -0.260 0.000 2.050 90 C HN 0.656 nan 8.230 nan 0.000 0.460 91 I N -0.543 119.911 120.570 -0.193 0.000 3.578 91 I HA 0.011 4.183 4.170 0.003 0.000 0.295 91 I C 2.285 178.343 176.117 -0.097 0.000 1.280 91 I CA 0.919 62.127 61.300 -0.153 0.000 1.347 91 I CB -0.685 37.209 38.000 -0.177 0.000 1.051 91 I HN 0.188 nan 8.210 nan 0.000 0.460 92 Q N 1.712 121.464 119.800 -0.081 0.000 2.112 92 Q HA -0.246 4.096 4.340 0.003 0.000 0.206 92 Q C 2.328 178.317 176.000 -0.019 0.000 0.987 92 Q CA 2.933 58.704 55.803 -0.053 0.000 0.858 92 Q CB -0.753 27.962 28.738 -0.038 0.000 0.905 92 Q HN 0.556 nan 8.270 nan 0.000 0.420 93 T N -1.670 112.885 114.554 0.001 0.000 2.833 93 T HA -0.072 4.280 4.350 0.003 0.000 0.269 93 T C 1.456 176.173 174.700 0.028 0.000 1.054 93 T CA 1.437 63.551 62.100 0.022 0.000 1.135 93 T CB -0.506 68.385 68.868 0.038 0.000 0.869 93 T HN 0.528 nan 8.240 nan 0.000 0.466 94 G N 0.022 108.830 108.800 0.014 0.000 2.494 94 G HA2 -0.008 3.954 3.960 0.003 0.000 0.216 94 G HA3 -0.008 3.954 3.960 0.003 0.000 0.216 94 G C 1.637 176.588 174.900 0.085 0.000 1.140 94 G CA 0.668 45.791 45.100 0.039 0.000 0.801 94 G HN 0.479 nan 8.290 nan 0.000 0.536 95 V N 1.475 121.388 119.914 -0.001 0.000 2.307 95 V HA -0.112 4.010 4.120 0.003 0.000 0.245 95 V C 2.322 178.505 176.094 0.149 0.000 1.045 95 V CA 2.079 64.361 62.300 -0.031 0.000 1.024 95 V CB -0.258 31.496 31.823 -0.116 0.000 0.651 95 V HN 0.247 nan 8.190 nan 0.000 0.449 96 D N -0.293 120.152 120.400 0.074 0.000 2.323 96 D HA -0.003 4.639 4.640 0.003 0.000 0.209 96 D C 0.703 177.024 176.300 0.036 0.000 0.973 96 D CA 0.598 54.632 54.000 0.057 0.000 0.874 96 D CB -0.122 40.691 40.800 0.022 0.000 0.930 96 D HN 0.413 nan 8.370 nan 0.000 0.521 97 N N 1.111 119.838 118.700 0.045 0.000 2.706 97 N HA 0.148 4.890 4.740 0.003 0.000 0.240 97 N C -2.094 173.394 175.510 -0.037 0.000 1.039 97 N CA -1.109 51.942 53.050 0.002 0.000 0.888 97 N CB 2.385 40.894 38.487 0.037 0.000 1.128 97 N HN -0.083 nan 8.380 nan 0.000 0.512 98 P HA 0.002 nan 4.420 nan 0.000 0.221 98 P C 0.644 177.848 177.300 -0.161 0.000 1.150 98 P CA 0.842 63.676 63.100 -0.442 0.000 0.800 98 P CB 0.568 31.853 31.700 -0.691 0.000 0.787 99 G N -2.495 106.248 108.800 -0.095 0.000 2.663 99 G HA2 0.405 4.367 3.960 0.003 0.000 0.299 99 G HA3 0.405 4.367 3.960 0.003 0.000 0.299 99 G C -2.110 172.813 174.900 0.038 0.000 1.372 99 G CA -0.236 44.849 45.100 -0.025 0.000 0.781 99 G HN 0.032 nan 8.290 nan 0.000 0.491 100 H N 0.181 119.214 119.070 -0.062 0.000 2.806 100 H HA 0.388 4.946 4.556 0.003 0.000 0.367 100 H C -1.593 173.658 175.328 -0.129 0.000 1.136 100 H CA -1.569 54.444 56.048 -0.059 0.000 1.178 100 H CB 3.130 32.895 29.762 0.005 0.000 1.718 100 H HN 0.303 nan 8.280 nan 0.000 0.540 101 P HA -0.097 nan 4.420 nan 0.000 0.218 101 P C 0.617 177.521 177.300 -0.660 0.000 1.148 101 P CA 1.176 63.836 63.100 -0.735 0.000 0.822 101 P CB 0.247 31.256 31.700 -1.152 0.000 0.784 102 F N -0.460 119.500 119.950 0.016 0.000 2.537 102 F HA 0.275 4.803 4.527 0.003 0.000 0.277 102 F C 1.656 177.576 175.800 0.200 0.000 1.013 102 F CA -0.342 57.745 58.000 0.146 0.000 1.332 102 F CB -0.431 38.665 39.000 0.159 0.000 1.108 102 F HN -0.226 nan 8.300 nan 0.000 0.679 103 I N -1.920 118.955 120.570 0.509 0.000 3.023 103 I HA 0.450 4.622 4.170 0.003 0.000 0.312 103 I C -0.324 175.872 176.117 0.131 0.000 1.056 103 I CA -1.114 60.314 61.300 0.214 0.000 1.033 103 I CB 1.777 39.829 38.000 0.087 0.000 1.233 103 I HN -0.234 nan 8.210 nan 0.000 0.462 104 K N 2.409 122.841 120.400 0.053 0.000 2.248 104 K HA 0.339 4.661 4.320 0.003 0.000 0.281 104 K C -0.398 176.198 176.600 -0.006 0.000 1.054 104 K CA -0.314 55.989 56.287 0.028 0.000 0.903 104 K CB 0.918 33.426 32.500 0.012 0.000 1.077 104 K HN 0.908 nan 8.250 nan 0.000 0.474 105 T N -0.691 113.863 114.554 -0.001 0.000 2.927 105 T HA 0.193 4.545 4.350 0.003 0.000 0.281 105 T C 1.273 175.976 174.700 0.004 0.000 0.998 105 T CA -0.997 61.091 62.100 -0.020 0.000 1.019 105 T CB 1.536 70.392 68.868 -0.019 0.000 1.061 105 T HN 0.218 nan 8.240 nan 0.000 0.518 106 V N 1.019 120.942 119.914 0.014 0.000 2.535 106 V HA 0.226 4.348 4.120 0.003 0.000 0.246 106 V C 2.381 178.495 176.094 0.033 0.000 1.045 106 V CA 1.422 63.745 62.300 0.038 0.000 1.058 106 V CB -1.448 30.423 31.823 0.080 0.000 0.689 106 V HN 1.394 nan 8.190 nan 0.000 0.461 107 G N 0.937 109.755 108.800 0.030 0.000 2.153 107 G HA2 -0.300 3.662 3.960 0.003 0.000 0.252 107 G HA3 -0.300 3.662 3.960 0.003 0.000 0.252 107 G C 0.081 174.977 174.900 -0.007 0.000 0.994 107 G CA 0.819 45.931 45.100 0.019 0.000 0.698 107 G HN 0.732 nan 8.290 nan 0.000 0.521 108 M N -1.984 117.625 119.600 0.016 0.000 2.603 108 M HA 0.788 5.270 4.480 0.003 0.000 0.275 108 M C -0.618 175.754 176.300 0.120 0.000 1.226 108 M CA -0.898 54.400 55.300 -0.003 0.000 0.870 108 M CB 2.504 34.999 32.600 -0.173 0.000 1.716 108 M HN 1.011 nan 8.290 nan 0.000 0.482 109 V N -1.062 118.948 119.914 0.161 0.000 3.078 109 V HA 1.048 5.170 4.120 0.003 0.000 0.311 109 V C -0.798 175.470 176.094 0.289 0.000 1.138 109 V CA -0.379 62.052 62.300 0.218 0.000 1.007 109 V CB 1.425 33.333 31.823 0.141 0.000 1.045 109 V HN 1.295 nan 8.190 nan 0.000 0.432 110 A N 1.269 124.140 122.820 0.084 0.000 2.312 110 A HA 0.814 5.136 4.320 0.003 0.000 0.326 110 A C 0.979 178.391 177.584 -0.287 0.000 1.172 110 A CA -0.025 51.936 52.037 -0.128 0.000 0.821 110 A CB 1.301 19.874 19.000 -0.711 0.000 1.166 110 A HN 1.930 nan 8.150 nan 0.000 0.493 111 G N 0.344 108.683 108.800 -0.768 0.000 2.921 111 G HA2 0.406 4.368 3.960 0.003 0.000 0.213 111 G HA3 0.406 4.368 3.960 0.003 0.000 0.213 111 G C -0.135 174.458 174.900 -0.512 0.000 1.143 111 G CA 0.796 45.208 45.100 -1.146 0.000 0.764 111 G HN 0.900 nan 8.290 nan 0.000 0.542 112 D N -2.673 117.549 120.400 -0.296 0.000 2.692 112 D HA 0.118 4.759 4.640 0.003 0.000 0.290 112 D C 0.594 176.883 176.300 -0.018 0.000 1.281 112 D CA -0.744 53.202 54.000 -0.090 0.000 0.804 112 D CB 0.631 41.417 40.800 -0.023 0.000 1.331 112 D HN -0.095 nan 8.370 nan 0.000 0.432 113 E N -0.620 119.610 120.200 0.049 0.000 2.110 113 E HA -0.225 4.127 4.350 0.003 0.000 0.193 113 E C 0.860 177.512 176.600 0.088 0.000 0.988 113 E CA 1.418 57.877 56.400 0.097 0.000 0.804 113 E CB 0.125 29.880 29.700 0.092 0.000 0.745 113 E HN 0.462 nan 8.360 nan 0.000 0.458 114 E N -0.137 120.091 120.200 0.048 0.000 2.347 114 E HA -0.061 4.291 4.350 0.003 0.000 0.196 114 E C 1.928 178.525 176.600 -0.005 0.000 1.008 114 E CA 0.688 57.100 56.400 0.020 0.000 0.852 114 E CB 0.074 29.780 29.700 0.010 0.000 0.783 114 E HN 0.084 nan 8.360 nan 0.000 0.505 115 S N 0.049 115.768 115.700 0.032 0.000 2.383 115 S HA -0.180 4.292 4.470 0.003 0.000 0.229 115 S C 1.368 176.021 174.600 0.088 0.000 1.030 115 S CA 0.999 59.308 58.200 0.183 0.000 1.002 115 S CB -0.343 63.002 63.200 0.242 0.000 0.829 115 S HN 0.350 nan 8.310 nan 0.000 0.467 116 Y N 1.471 121.679 120.300 -0.153 0.000 2.224 116 Y HA -0.091 4.462 4.550 0.003 0.000 0.289 116 Y C 2.527 178.407 175.900 -0.033 0.000 1.146 116 Y CA 1.234 59.148 58.100 -0.311 0.000 1.182 116 Y CB -0.275 37.959 38.460 -0.376 0.000 0.983 116 Y HN 0.346 nan 8.280 nan 0.000 0.524 117 E N -0.472 119.782 120.200 0.091 0.000 2.042 117 E HA -0.099 4.253 4.350 0.003 0.000 0.189 117 E C 2.177 178.758 176.600 -0.033 0.000 0.974 117 E CA 0.977 57.397 56.400 0.033 0.000 0.806 117 E CB -0.113 29.585 29.700 -0.004 0.000 0.769 117 E HN 0.133 nan 8.360 nan 0.000 0.451 118 V N 0.553 120.358 119.914 -0.182 0.000 2.332 118 V HA -0.212 3.909 4.120 0.003 0.000 0.248 118 V C 1.217 177.032 176.094 -0.464 0.000 1.055 118 V CA 1.539 63.574 62.300 -0.442 0.000 1.038 118 V CB -0.423 30.921 31.823 -0.799 0.000 0.651 118 V HN 0.283 nan 8.190 nan 0.000 0.450 119 F N -0.144 119.927 119.950 0.202 0.000 2.750 119 F HA 0.583 5.112 4.527 0.002 0.000 0.297 119 F C 1.710 177.693 175.800 0.306 0.000 1.138 119 F CA -0.134 57.993 58.000 0.211 0.000 1.346 119 F CB -1.035 38.077 39.000 0.185 0.000 0.965 119 F HN -0.007 nan 8.300 nan 0.000 0.514 120 A N 0.171 123.196 122.820 0.342 0.000 1.927 120 A HA -0.249 4.072 4.320 0.003 0.000 0.220 120 A C 1.980 179.709 177.584 0.242 0.000 1.185 120 A CA 2.281 54.497 52.037 0.298 0.000 0.639 120 A CB -0.565 18.531 19.000 0.159 0.000 0.820 120 A HN 0.277 nan 8.150 nan 0.000 0.451 121 D N -1.302 119.204 120.400 0.177 0.000 2.351 121 D HA -0.037 4.605 4.640 0.003 0.000 0.216 121 D C 1.466 177.836 176.300 0.115 0.000 0.968 121 D CA 0.859 54.935 54.000 0.127 0.000 0.899 121 D CB 0.086 40.945 40.800 0.098 0.000 0.907 121 D HN 0.423 nan 8.370 nan 0.000 0.514 122 L N -1.596 119.699 121.223 0.119 0.000 2.526 122 L HA 0.208 4.550 4.340 0.003 0.000 0.210 122 L C 1.540 178.433 176.870 0.038 0.000 1.048 122 L CA 0.643 55.499 54.840 0.027 0.000 0.852 122 L CB -0.374 41.629 42.059 -0.093 0.000 1.128 122 L HN -0.218 nan 8.230 nan 0.000 0.482 123 F N 0.984 121.028 119.950 0.157 0.000 2.126 123 F HA -0.196 4.333 4.527 0.003 0.000 0.299 123 F C 2.196 178.104 175.800 0.181 0.000 1.096 123 F CA 1.738 59.853 58.000 0.192 0.000 1.255 123 F CB -0.593 38.575 39.000 0.281 0.000 0.997 123 F HN 0.178 nan 8.300 nan 0.000 0.479 124 D N 0.304 120.902 120.400 0.329 0.000 2.078 124 D HA -0.142 4.500 4.640 0.003 0.000 0.193 124 D C -0.351 176.052 176.300 0.170 0.000 0.990 124 D CA 1.745 55.876 54.000 0.217 0.000 0.827 124 D CB -2.026 38.861 40.800 0.146 0.000 0.975 124 D HN 0.190 nan 8.370 nan 0.000 0.451 125 P HA -0.059 nan 4.420 nan 0.000 0.218 125 P C 1.851 179.222 177.300 0.119 0.000 1.149 125 P CA 0.691 63.853 63.100 0.105 0.000 0.817 125 P CB 0.115 31.861 31.700 0.077 0.000 0.785 126 V N 0.344 120.340 119.914 0.137 0.000 2.343 126 V HA -0.217 3.905 4.120 0.003 0.000 0.247 126 V C 2.674 178.889 176.094 0.202 0.000 1.051 126 V CA 1.546 63.930 62.300 0.139 0.000 1.036 126 V CB -1.018 30.877 31.823 0.120 0.000 0.654 126 V HN -0.006 nan 8.190 nan 0.000 0.451 127 I N -0.090 120.648 120.570 0.280 0.000 2.179 127 I HA -0.289 3.883 4.170 0.003 0.000 0.242 127 I C 2.556 178.870 176.117 0.328 0.000 1.088 127 I CA 1.955 63.469 61.300 0.357 0.000 1.357 127 I CB -0.426 37.765 38.000 0.317 0.000 1.051 127 I HN 0.270 nan 8.210 nan 0.000 0.409 128 K N 1.035 121.571 120.400 0.225 0.000 2.063 128 K HA -0.240 4.082 4.320 0.003 0.000 0.208 128 K C 2.176 178.861 176.600 0.142 0.000 1.048 128 K CA 1.613 58.003 56.287 0.172 0.000 0.928 128 K CB -0.157 32.402 32.500 0.099 0.000 0.713 128 K HN 0.126 nan 8.250 nan 0.000 0.442 129 L N 0.975 122.265 121.223 0.112 0.000 2.156 129 L HA -0.038 4.303 4.340 0.003 0.000 0.208 129 L C 2.297 179.191 176.870 0.040 0.000 1.095 129 L CA 1.520 56.401 54.840 0.068 0.000 0.770 129 L CB -0.367 41.725 42.059 0.056 0.000 0.914 129 L HN 0.107 nan 8.230 nan 0.000 0.439 130 R N -1.035 119.488 120.500 0.040 0.000 2.119 130 R HA -0.021 4.320 4.340 0.003 0.000 0.222 130 R C 0.867 177.005 176.300 -0.270 0.000 1.088 130 R CA 1.367 57.398 56.100 -0.116 0.000 0.984 130 R CB -0.321 29.897 30.300 -0.137 0.000 0.884 130 R HN 0.494 nan 8.270 nan 0.000 0.447 131 H N 0.641 119.760 119.070 0.082 0.000 2.507 131 H HA 0.194 4.752 4.556 0.003 0.000 0.271 131 H C -0.367 175.020 175.328 0.098 0.000 1.224 131 H CA -0.324 55.772 56.048 0.079 0.000 1.000 131 H CB -0.422 29.388 29.762 0.081 0.000 1.663 131 H HN 0.325 nan 8.280 nan 0.000 0.548 132 N N 1.287 120.057 118.700 0.117 0.000 2.707 132 N HA -0.244 4.498 4.740 0.003 0.000 0.253 132 N C 1.006 176.586 175.510 0.117 0.000 0.998 132 N CA 0.924 54.029 53.050 0.092 0.000 0.751 132 N CB -0.753 37.776 38.487 0.069 0.000 0.920 132 N HN 0.952 nan 8.380 nan 0.000 0.539 133 G N -0.540 108.337 108.800 0.128 0.000 2.194 133 G HA2 -0.363 3.599 3.960 0.003 0.000 0.236 133 G HA3 -0.363 3.599 3.960 0.003 0.000 0.236 133 G C -0.043 174.921 174.900 0.107 0.000 0.987 133 G CA 0.262 45.419 45.100 0.096 0.000 0.635 133 G HN 0.635 nan 8.290 nan 0.000 0.520 134 Y N 2.522 122.869 120.300 0.079 0.000 2.745 134 Y HA 0.419 4.971 4.550 0.003 0.000 0.335 134 Y C 0.044 175.975 175.900 0.053 0.000 1.212 134 Y CA 0.270 58.407 58.100 0.061 0.000 1.535 134 Y CB 0.577 39.072 38.460 0.058 0.000 1.220 134 Y HN 0.127 nan 8.280 nan 0.000 0.531 135 D N 9.359 129.459 120.400 -0.500 0.000 2.441 135 D HA 0.264 4.906 4.640 0.003 0.000 0.231 135 D C -2.017 173.989 176.300 -0.489 0.000 1.073 135 D CA -2.604 51.210 54.000 -0.310 0.000 0.850 135 D CB 1.646 42.343 40.800 -0.172 0.000 1.062 135 D HN 0.308 nan 8.370 nan 0.000 0.524 136 P HA -0.041 nan 4.420 nan 0.000 0.230 136 P C 1.039 178.282 177.300 -0.095 0.000 1.158 136 P CA 0.479 63.507 63.100 -0.119 0.000 0.769 136 P CB 0.479 32.226 31.700 0.078 0.000 0.807 137 R N -0.535 119.917 120.500 -0.080 0.000 2.115 137 R HA 0.002 4.344 4.340 0.003 0.000 0.230 137 R C 1.865 178.119 176.300 -0.076 0.000 1.111 137 R CA 1.054 57.122 56.100 -0.053 0.000 0.976 137 R CB -0.388 29.896 30.300 -0.027 0.000 0.870 137 R HN 0.132 nan 8.270 nan 0.000 0.445 138 V N -0.378 119.462 119.914 -0.123 0.000 3.307 138 V HA 0.161 4.283 4.120 0.003 0.000 0.244 138 V C 0.837 176.851 176.094 -0.134 0.000 1.196 138 V CA 0.541 62.774 62.300 -0.111 0.000 1.132 138 V CB 0.207 31.969 31.823 -0.103 0.000 0.875 138 V HN 0.121 nan 8.190 nan 0.000 0.468 139 M N -0.074 119.381 119.600 -0.240 0.000 2.649 139 M HA 0.502 4.984 4.480 0.003 0.000 0.294 139 M C -0.614 175.639 176.300 -0.079 0.000 1.206 139 M CA -0.246 54.918 55.300 -0.227 0.000 0.928 139 M CB 1.614 33.907 32.600 -0.512 0.000 1.571 139 M HN -0.050 nan 8.290 nan 0.000 0.501 140 K N -0.374 120.074 120.400 0.080 0.000 2.435 140 K HA 0.469 4.791 4.320 0.003 0.000 0.251 140 K C -1.496 175.270 176.600 0.277 0.000 0.954 140 K CA -0.903 55.473 56.287 0.148 0.000 0.820 140 K CB 2.177 34.711 32.500 0.057 0.000 1.292 140 K HN 0.571 nan 8.250 nan 0.000 0.436 141 H N 0.061 119.189 119.070 0.097 0.000 2.459 141 H HA 0.316 4.874 4.556 0.003 0.000 0.332 141 H C -1.168 174.192 175.328 0.053 0.000 1.094 141 H CA -0.167 55.889 56.048 0.013 0.000 1.224 141 H CB 1.349 31.009 29.762 -0.169 0.000 1.449 141 H HN 0.370 nan 8.280 nan 0.000 0.484 142 T N 5.041 119.256 114.554 -0.566 0.000 2.767 142 T HA 0.220 4.572 4.350 0.003 0.000 0.284 142 T C -0.303 174.118 174.700 -0.466 0.000 0.973 142 T CA -0.609 61.291 62.100 -0.333 0.000 0.996 142 T CB 0.773 69.545 68.868 -0.159 0.000 0.927 142 T HN 0.655 nan 8.240 nan 0.000 0.456 143 T N 3.560 118.060 114.554 -0.089 0.000 2.806 143 T HA 0.357 4.709 4.350 0.003 0.000 0.290 143 T C -0.387 174.359 174.700 0.076 0.000 0.966 143 T CA -0.436 61.721 62.100 0.095 0.000 1.060 143 T CB 0.590 69.606 68.868 0.246 0.000 0.927 143 T HN 0.475 nan 8.240 nan 0.000 0.485 144 D N 3.117 123.587 120.400 0.116 0.000 2.402 144 D HA 0.262 4.904 4.640 0.003 0.000 0.252 144 D C -0.333 176.075 176.300 0.180 0.000 1.294 144 D CA -0.454 53.615 54.000 0.114 0.000 0.948 144 D CB 0.740 41.595 40.800 0.091 0.000 1.202 144 D HN 0.357 nan 8.370 nan 0.000 0.561 145 L N 2.502 123.797 121.223 0.121 0.000 3.034 145 L HA 0.266 4.608 4.340 0.003 0.000 0.245 145 L C 0.293 177.145 176.870 -0.029 0.000 1.295 145 L CA -0.194 54.689 54.840 0.072 0.000 1.068 145 L CB 0.333 42.395 42.059 0.005 0.000 1.426 145 L HN 0.195 nan 8.230 nan 0.000 0.531 146 D N 0.698 121.121 120.400 0.039 0.000 2.468 146 D HA 0.237 4.879 4.640 0.003 0.000 0.218 146 D C 1.142 177.464 176.300 0.038 0.000 1.155 146 D CA 0.006 54.012 54.000 0.010 0.000 0.924 146 D CB 1.582 42.404 40.800 0.037 0.000 1.029 146 D HN 0.251 nan 8.370 nan 0.000 0.515 147 A N 2.511 125.265 122.820 -0.110 0.000 1.978 147 A HA -0.183 4.139 4.320 0.003 0.000 0.220 147 A C 2.240 179.873 177.584 0.082 0.000 1.170 147 A CA 1.468 53.455 52.037 -0.083 0.000 0.636 147 A CB -0.269 18.571 19.000 -0.266 0.000 0.810 147 A HN 0.534 nan 8.150 nan 0.000 0.448 148 S N 0.054 115.771 115.700 0.029 0.000 2.407 148 S HA -0.236 4.235 4.470 0.003 0.000 0.235 148 S C 1.740 176.377 174.600 0.062 0.000 1.036 148 S CA 1.858 60.080 58.200 0.036 0.000 1.013 148 S CB -0.288 62.921 63.200 0.015 0.000 0.820 148 S HN 0.704 nan 8.310 nan 0.000 0.476 149 K N 0.339 120.794 120.400 0.090 0.000 2.365 149 K HA 0.059 4.381 4.320 0.003 0.000 0.199 149 K C 0.035 176.689 176.600 0.090 0.000 1.045 149 K CA 0.477 56.816 56.287 0.086 0.000 0.962 149 K CB -0.015 32.542 32.500 0.095 0.000 0.759 149 K HN 0.294 nan 8.250 nan 0.000 0.469 150 I N 2.979 123.628 120.570 0.132 0.000 2.260 150 I HA -0.035 4.137 4.170 0.003 0.000 0.297 150 I C 1.553 177.707 176.117 0.062 0.000 1.143 150 I CA 0.469 61.826 61.300 0.096 0.000 1.271 150 I CB 0.090 38.179 38.000 0.150 0.000 1.461 150 I HN 0.177 nan 8.210 nan 0.000 0.530 151 T N 2.113 116.688 114.554 0.034 0.000 2.904 151 T HA -0.056 4.296 4.350 0.003 0.000 0.267 151 T C 0.794 175.497 174.700 0.006 0.000 1.059 151 T CA 0.729 62.842 62.100 0.021 0.000 1.137 151 T CB 0.500 69.378 68.868 0.016 0.000 0.879 151 T HN 0.554 nan 8.240 nan 0.000 0.467 152 Q N -0.208 119.587 119.800 -0.008 0.000 2.345 152 Q HA 0.541 4.882 4.340 0.003 0.000 0.275 152 Q C -1.561 174.390 176.000 -0.081 0.000 1.063 152 Q CA -0.697 55.085 55.803 -0.035 0.000 0.819 152 Q CB 2.108 30.829 28.738 -0.029 0.000 1.356 152 Q HN 0.446 nan 8.270 nan 0.000 0.418 153 G N 2.540 111.259 108.800 -0.136 0.000 4.220 153 G HA2 0.175 4.136 3.960 0.003 0.000 0.256 153 G HA3 0.175 4.136 3.960 0.003 0.000 0.256 153 G C -1.478 173.195 174.900 -0.378 0.000 1.520 153 G CA -0.264 44.664 45.100 -0.286 0.000 0.608 153 G HN 0.343 nan 8.290 nan 0.000 0.415 154 Q N 1.086 120.692 119.800 -0.324 0.000 2.363 154 Q HA 0.682 5.024 4.340 0.003 0.000 0.265 154 Q C -0.829 175.054 176.000 -0.195 0.000 1.032 154 Q CA -0.671 54.988 55.803 -0.240 0.000 0.746 154 Q CB 0.644 29.328 28.738 -0.089 0.000 1.237 154 Q HN 0.219 nan 8.270 nan 0.000 0.475 155 F N 0.967 120.945 119.950 0.047 0.000 2.380 155 F HA 0.214 4.743 4.527 0.003 0.000 0.325 155 F C 0.983 176.828 175.800 0.075 0.000 1.136 155 F CA -0.728 57.312 58.000 0.066 0.000 1.171 155 F CB 0.488 39.532 39.000 0.073 0.000 1.230 155 F HN 0.440 nan 8.300 nan 0.000 0.554 156 D N 1.890 122.493 120.400 0.338 0.000 2.349 156 D HA -0.034 4.608 4.640 0.003 0.000 0.266 156 D C 0.708 177.135 176.300 0.212 0.000 1.293 156 D CA 0.308 54.467 54.000 0.266 0.000 0.926 156 D CB 0.399 41.430 40.800 0.385 0.000 1.090 156 D HN 0.613 nan 8.370 nan 0.000 0.502 157 E N 2.335 122.559 120.200 0.040 0.000 2.472 157 E HA -0.161 4.191 4.350 0.003 0.000 0.200 157 E C 0.966 177.495 176.600 -0.118 0.000 1.046 157 E CA 0.443 56.828 56.400 -0.026 0.000 0.871 157 E CB 0.031 29.683 29.700 -0.080 0.000 0.806 157 E HN 0.678 nan 8.360 nan 0.000 0.533 158 H N -1.105 117.917 119.070 -0.080 0.000 2.421 158 H HA -0.124 4.434 4.556 0.003 0.000 0.298 158 H C 0.985 176.093 175.328 -0.367 0.000 1.087 158 H CA 1.461 57.341 56.048 -0.280 0.000 1.330 158 H CB 0.108 29.585 29.762 -0.474 0.000 1.388 158 H HN 0.222 nan 8.280 nan 0.000 0.526 159 Y N -0.741 119.643 120.300 0.140 0.000 2.382 159 Y HA 0.139 4.691 4.550 0.003 0.000 0.292 159 Y C 0.983 176.920 175.900 0.062 0.000 1.151 159 Y CA -0.159 57.991 58.100 0.084 0.000 1.198 159 Y CB 0.042 38.539 38.460 0.062 0.000 1.195 159 Y HN -0.191 nan 8.280 nan 0.000 0.530 160 V N 3.510 123.562 119.914 0.230 0.000 2.421 160 V HA -0.057 4.065 4.120 0.003 0.000 0.271 160 V C 0.874 177.046 176.094 0.130 0.000 1.031 160 V CA 0.444 62.833 62.300 0.149 0.000 1.032 160 V CB 0.207 32.129 31.823 0.164 0.000 1.009 160 V HN 0.393 nan 8.190 nan 0.000 0.477 161 L N 3.938 125.237 121.223 0.127 0.000 2.375 161 L HA 0.159 4.500 4.340 0.003 0.000 0.215 161 L C 0.810 177.734 176.870 0.090 0.000 1.108 161 L CA 0.597 55.503 54.840 0.110 0.000 0.830 161 L CB 0.261 42.401 42.059 0.134 0.000 0.959 161 L HN 0.852 nan 8.230 nan 0.000 0.457 162 S N -2.499 113.249 115.700 0.079 0.000 2.543 162 S HA 0.491 4.963 4.470 0.003 0.000 0.274 162 S C -0.784 173.841 174.600 0.041 0.000 1.149 162 S CA -0.839 57.377 58.200 0.027 0.000 0.866 162 S CB 1.904 65.049 63.200 -0.092 0.000 1.111 162 S HN -0.104 nan 8.310 nan 0.000 0.457 163 S N 1.079 116.826 115.700 0.078 0.000 2.501 163 S HA 0.831 5.303 4.470 0.003 0.000 0.301 163 S C -0.508 174.129 174.600 0.061 0.000 1.096 163 S CA -0.834 57.436 58.200 0.117 0.000 1.063 163 S CB 1.429 64.745 63.200 0.193 0.000 1.042 163 S HN 0.795 nan 8.310 nan 0.000 0.494 164 R N 1.623 122.145 120.500 0.036 0.000 2.626 164 R HA 0.696 5.038 4.340 0.003 0.000 0.274 164 R C -2.252 174.027 176.300 -0.035 0.000 1.031 164 R CA -0.477 55.626 56.100 0.006 0.000 0.898 164 R CB 1.308 31.584 30.300 -0.040 0.000 1.222 164 R HN 0.483 nan 8.270 nan 0.000 0.455 165 V N 3.940 123.815 119.914 -0.066 0.000 2.577 165 V HA 0.597 4.719 4.120 0.003 0.000 0.303 165 V C -1.059 174.894 176.094 -0.234 0.000 1.042 165 V CA -0.852 61.292 62.300 -0.261 0.000 0.872 165 V CB 1.696 33.222 31.823 -0.494 0.000 0.998 165 V HN 0.899 nan 8.190 nan 0.000 0.423 166 R N 1.899 122.268 120.500 -0.218 0.000 2.795 166 R HA 0.910 5.252 4.340 0.003 0.000 0.275 166 R C -0.664 175.658 176.300 0.035 0.000 0.981 166 R CA -0.394 55.685 56.100 -0.037 0.000 0.917 166 R CB 1.938 32.174 30.300 -0.106 0.000 1.202 166 R HN 0.599 nan 8.270 nan 0.000 0.469 167 T N -0.590 114.096 114.554 0.219 0.000 2.742 167 T HA 0.862 5.214 4.350 0.003 0.000 0.282 167 T C -0.985 173.733 174.700 0.030 0.000 1.025 167 T CA -0.479 61.712 62.100 0.151 0.000 1.020 167 T CB 1.419 70.450 68.868 0.271 0.000 1.317 167 T HN 0.910 nan 8.240 nan 0.000 0.538 168 G N 0.909 109.696 108.800 -0.022 0.000 2.619 168 G HA2 0.713 4.675 3.960 0.003 0.000 0.296 168 G HA3 0.713 4.675 3.960 0.003 0.000 0.296 168 G C -1.657 173.164 174.900 -0.132 0.000 1.334 168 G CA -0.671 44.399 45.100 -0.050 0.000 0.934 168 G HN 0.613 nan 8.290 nan 0.000 0.476 169 R N 0.084 120.508 120.500 -0.126 0.000 2.744 169 R HA 0.697 5.039 4.340 0.003 0.000 0.279 169 R C -1.047 175.314 176.300 0.102 0.000 0.977 169 R CA -0.757 55.254 56.100 -0.149 0.000 0.906 169 R CB 2.158 32.159 30.300 -0.497 0.000 1.197 169 R HN 0.486 nan 8.270 nan 0.000 0.463 170 S N 2.083 117.917 115.700 0.224 0.000 2.482 170 S HA 0.503 4.974 4.470 0.003 0.000 0.303 170 S C 0.024 174.915 174.600 0.486 0.000 1.091 170 S CA -0.788 57.553 58.200 0.234 0.000 1.057 170 S CB 1.280 64.476 63.200 -0.007 0.000 1.031 170 S HN 0.300 nan 8.310 nan 0.000 0.485 171 I N 2.970 123.905 120.570 0.609 0.000 2.337 171 I HA 0.267 4.439 4.170 0.003 0.000 0.291 171 I C 0.877 177.193 176.117 0.331 0.000 1.046 171 I CA -0.359 61.123 61.300 0.302 0.000 1.324 171 I CB 0.086 38.053 38.000 -0.057 0.000 1.409 171 I HN 0.646 nan 8.210 nan 0.000 0.494 172 R N 4.305 124.978 120.500 0.289 0.000 2.623 172 R HA 0.343 4.684 4.340 0.003 0.000 0.271 172 R C 1.044 177.516 176.300 0.286 0.000 1.043 172 R CA 1.116 57.368 56.100 0.253 0.000 1.083 172 R CB 0.356 30.771 30.300 0.192 0.000 0.974 172 R HN 0.932 nan 8.270 nan 0.000 0.436 173 G N 2.876 111.806 108.800 0.217 0.000 2.194 173 G HA2 -0.220 3.742 3.960 0.003 0.000 0.236 173 G HA3 -0.220 3.742 3.960 0.003 0.000 0.236 173 G C -0.301 174.724 174.900 0.208 0.000 0.987 173 G CA 0.049 45.265 45.100 0.194 0.000 0.635 173 G HN 0.475 nan 8.290 nan 0.000 0.520 174 L N 1.663 123.024 121.223 0.231 0.000 2.385 174 L HA 0.609 4.951 4.340 0.003 0.000 0.273 174 L C 0.547 177.567 176.870 0.251 0.000 0.990 174 L CA -0.918 54.032 54.840 0.183 0.000 0.821 174 L CB 2.109 44.189 42.059 0.035 0.000 1.279 174 L HN 0.089 nan 8.230 nan 0.000 0.412 175 S N 2.485 118.287 115.700 0.170 0.000 2.573 175 S HA 0.330 4.802 4.470 0.003 0.000 0.277 175 S C 0.165 174.898 174.600 0.222 0.000 1.346 175 S CA -0.463 57.813 58.200 0.128 0.000 1.034 175 S CB 0.451 63.688 63.200 0.061 0.000 0.879 175 S HN 0.299 nan 8.310 nan 0.000 0.528 176 L N 2.891 124.129 121.223 0.025 0.000 2.466 176 L HA 0.195 4.537 4.340 0.003 0.000 0.257 176 L C -1.359 175.523 176.870 0.020 0.000 1.189 176 L CA -1.841 52.959 54.840 -0.068 0.000 0.813 176 L CB -0.107 41.856 42.059 -0.159 0.000 1.118 176 L HN 0.417 nan 8.230 nan 0.000 0.471 177 P HA -0.181 nan 4.420 nan 0.000 0.220 177 P C -1.514 175.820 177.300 0.057 0.000 1.155 177 P CA 1.697 64.841 63.100 0.073 0.000 0.880 177 P CB -0.758 30.981 31.700 0.064 0.000 0.790 178 P HA -0.083 nan 4.420 nan 0.000 0.220 178 P C 0.906 178.271 177.300 0.108 0.000 1.148 178 P CA 1.985 65.126 63.100 0.069 0.000 0.803 178 P CB -0.351 31.383 31.700 0.058 0.000 0.782 179 A N -1.836 120.995 122.820 0.018 0.000 2.340 179 A HA 0.143 4.465 4.320 0.003 0.000 0.213 179 A C 0.898 178.531 177.584 0.082 0.000 1.299 179 A CA -0.041 52.043 52.037 0.077 0.000 0.994 179 A CB -0.843 18.096 19.000 -0.100 0.000 1.132 179 A HN 0.331 nan 8.150 nan 0.000 0.519 180 C N 1.961 121.303 119.300 0.070 0.000 2.657 180 C HA 0.530 4.992 4.460 0.003 0.000 0.420 180 C C 1.184 176.220 174.990 0.077 0.000 1.323 180 C CA -0.015 59.051 59.018 0.081 0.000 1.894 180 C CB -0.846 26.952 27.740 0.096 0.000 2.681 180 C HN 0.632 nan 8.230 nan 0.000 0.613 181 T N 0.862 115.456 114.554 0.067 0.000 2.788 181 T HA 0.328 4.680 4.350 0.003 0.000 0.280 181 T C 1.105 175.833 174.700 0.047 0.000 0.984 181 T CA -0.464 61.672 62.100 0.060 0.000 0.972 181 T CB 0.554 69.455 68.868 0.055 0.000 1.039 181 T HN 0.785 nan 8.240 nan 0.000 0.530 182 R N 0.164 120.689 120.500 0.042 0.000 2.081 182 R HA -0.042 4.300 4.340 0.003 0.000 0.235 182 R C 2.772 179.082 176.300 0.017 0.000 1.131 182 R CA 1.345 57.463 56.100 0.031 0.000 0.960 182 R CB -0.907 29.411 30.300 0.030 0.000 0.856 182 R HN 0.816 nan 8.270 nan 0.000 0.436 183 A N 0.998 123.830 122.820 0.020 0.000 1.972 183 A HA -0.184 4.138 4.320 0.003 0.000 0.219 183 A C 1.872 179.458 177.584 0.003 0.000 1.169 183 A CA 1.298 53.343 52.037 0.013 0.000 0.635 183 A CB -0.253 18.761 19.000 0.023 0.000 0.810 183 A HN 0.315 nan 8.150 nan 0.000 0.446 184 E N -0.871 119.335 120.200 0.010 0.000 2.047 184 E HA -0.158 4.194 4.350 0.003 0.000 0.191 184 E C 2.342 178.904 176.600 -0.063 0.000 0.987 184 E CA 0.878 57.272 56.400 -0.009 0.000 0.799 184 E CB -0.135 29.580 29.700 0.025 0.000 0.752 184 E HN 0.557 nan 8.360 nan 0.000 0.449 185 R N 0.888 121.369 120.500 -0.032 0.000 2.073 185 R HA -0.132 4.210 4.340 0.003 0.000 0.234 185 R C 2.258 178.513 176.300 -0.075 0.000 1.134 185 R CA 1.437 57.509 56.100 -0.047 0.000 0.952 185 R CB 0.021 30.325 30.300 0.007 0.000 0.850 185 R HN 0.012 nan 8.270 nan 0.000 0.433 186 R N -0.113 120.358 120.500 -0.049 0.000 2.096 186 R HA -0.161 4.181 4.340 0.003 0.000 0.235 186 R C 2.197 178.439 176.300 -0.097 0.000 1.127 186 R CA 1.603 57.670 56.100 -0.054 0.000 0.968 186 R CB -0.196 30.088 30.300 -0.026 0.000 0.861 186 R HN 0.221 nan 8.270 nan 0.000 0.440 187 E N 0.557 120.693 120.200 -0.107 0.000 2.051 187 E HA -0.141 4.211 4.350 0.003 0.000 0.192 187 E C 1.786 178.202 176.600 -0.306 0.000 0.991 187 E CA 1.309 57.618 56.400 -0.153 0.000 0.799 187 E CB -0.095 29.550 29.700 -0.091 0.000 0.748 187 E HN 0.047 nan 8.360 nan 0.000 0.449 188 V N 1.041 120.747 119.914 -0.347 0.000 2.332 188 V HA -0.273 3.849 4.120 0.003 0.000 0.248 188 V C 2.477 178.365 176.094 -0.344 0.000 1.055 188 V CA 2.313 64.341 62.300 -0.453 0.000 1.038 188 V CB -0.658 30.855 31.823 -0.517 0.000 0.651 188 V HN 0.432 nan 8.190 nan 0.000 0.450 189 E N 0.545 120.602 120.200 -0.239 0.000 2.077 189 E HA -0.300 4.052 4.350 0.003 0.000 0.193 189 E C 2.092 178.510 176.600 -0.305 0.000 0.989 189 E CA 1.694 57.955 56.400 -0.232 0.000 0.800 189 E CB -0.210 29.423 29.700 -0.111 0.000 0.746 189 E HN 0.642 nan 8.360 nan 0.000 0.452 190 N N -0.001 118.555 118.700 -0.239 0.000 2.069 190 N HA -0.163 4.579 4.740 0.003 0.000 0.191 190 N C 1.760 177.110 175.510 -0.267 0.000 1.031 190 N CA 1.780 54.703 53.050 -0.212 0.000 0.852 190 N CB -0.223 38.183 38.487 -0.135 0.000 1.018 190 N HN 0.065 nan 8.380 nan 0.000 0.423 191 V N 0.605 120.291 119.914 -0.380 0.000 2.295 191 V HA -0.165 3.957 4.120 0.003 0.000 0.246 191 V C 2.409 178.267 176.094 -0.394 0.000 1.049 191 V CA 1.857 63.858 62.300 -0.498 0.000 1.024 191 V CB -1.209 30.003 31.823 -1.018 0.000 0.648 191 V HN 0.502 nan 8.190 nan 0.000 0.447 192 A N -0.100 122.491 122.820 -0.381 0.000 1.858 192 A HA -0.186 4.136 4.320 0.003 0.000 0.216 192 A C 2.202 179.564 177.584 -0.370 0.000 1.190 192 A CA 1.984 53.822 52.037 -0.333 0.000 0.617 192 A CB -0.582 18.245 19.000 -0.288 0.000 0.827 192 A HN 0.465 nan 8.150 nan 0.000 0.443 193 I N -0.460 119.845 120.570 -0.441 0.000 2.091 193 I HA -0.302 3.870 4.170 0.003 0.000 0.239 193 I C 2.703 178.685 176.117 -0.225 0.000 1.061 193 I CA 2.057 63.113 61.300 -0.406 0.000 1.317 193 I CB -0.706 37.054 38.000 -0.400 0.000 1.031 193 I HN 0.298 nan 8.210 nan 0.000 0.401 194 T N 0.631 115.070 114.554 -0.191 0.000 2.684 194 T HA -0.200 4.152 4.350 0.003 0.000 0.267 194 T C 1.963 176.596 174.700 -0.112 0.000 1.036 194 T CA 1.601 63.630 62.100 -0.118 0.000 1.148 194 T CB -0.380 68.432 68.868 -0.094 0.000 0.863 194 T HN 0.511 nan 8.240 nan 0.000 0.436 195 A N 0.997 123.726 122.820 -0.153 0.000 1.933 195 A HA 0.058 4.380 4.320 0.003 0.000 0.218 195 A C 2.253 179.735 177.584 -0.169 0.000 1.175 195 A CA 1.117 53.072 52.037 -0.136 0.000 0.628 195 A CB -0.763 18.151 19.000 -0.144 0.000 0.814 195 A HN 0.494 nan 8.150 nan 0.000 0.444 196 L N -0.751 120.311 121.223 -0.267 0.000 2.291 196 L HA -0.131 4.211 4.340 0.003 0.000 0.214 196 L C 2.337 179.134 176.870 -0.122 0.000 1.120 196 L CA 0.943 55.544 54.840 -0.399 0.000 0.799 196 L CB -0.481 41.070 42.059 -0.846 0.000 0.925 196 L HN 0.459 nan 8.230 nan 0.000 0.446 197 E N 0.315 120.491 120.200 -0.040 0.000 2.153 197 E HA -0.174 4.178 4.350 0.003 0.000 0.194 197 E C 2.135 178.759 176.600 0.040 0.000 0.988 197 E CA 1.014 57.440 56.400 0.044 0.000 0.811 197 E CB -0.216 29.495 29.700 0.018 0.000 0.746 197 E HN 0.544 nan 8.360 nan 0.000 0.466 198 G N 0.635 109.433 108.800 -0.002 0.000 2.776 198 G HA2 -0.056 3.906 3.960 0.003 0.000 0.209 198 G HA3 -0.056 3.906 3.960 0.003 0.000 0.209 198 G C 0.575 175.484 174.900 0.015 0.000 1.145 198 G CA -0.140 44.962 45.100 0.003 0.000 0.791 198 G HN 0.039 nan 8.290 nan 0.000 0.530 199 L N 0.470 121.712 121.223 0.032 0.000 2.416 199 L HA 0.315 4.657 4.340 0.003 0.000 0.272 199 L C 0.359 177.289 176.870 0.101 0.000 1.161 199 L CA 0.194 55.073 54.840 0.064 0.000 0.845 199 L CB 1.027 43.163 42.059 0.128 0.000 1.119 199 L HN 0.069 nan 8.230 nan 0.000 0.464 200 K N 1.106 121.549 120.400 0.072 0.000 2.352 200 K HA 0.678 5.000 4.320 0.003 0.000 0.240 200 K C 0.369 177.011 176.600 0.070 0.000 1.017 200 K CA -0.168 56.161 56.287 0.071 0.000 0.851 200 K CB 1.830 34.353 32.500 0.038 0.000 1.261 200 K HN 0.711 nan 8.250 nan 0.000 0.451 201 G N 1.744 110.589 108.800 0.075 0.000 2.591 201 G HA2 -0.372 3.590 3.960 0.003 0.000 0.298 201 G HA3 -0.372 3.590 3.960 0.003 0.000 0.298 201 G C 0.457 175.410 174.900 0.088 0.000 1.195 201 G CA 0.796 45.935 45.100 0.065 0.000 0.989 201 G HN 0.883 nan 8.290 nan 0.000 0.551 202 D N 1.034 121.470 120.400 0.058 0.000 2.363 202 D HA 0.070 4.712 4.640 0.003 0.000 0.220 202 D C 2.293 178.637 176.300 0.074 0.000 0.994 202 D CA 1.137 55.178 54.000 0.068 0.000 0.890 202 D CB -0.167 40.654 40.800 0.037 0.000 0.906 202 D HN 0.514 nan 8.370 nan 0.000 0.530 203 L N -0.034 121.237 121.223 0.079 0.000 2.585 203 L HA 0.334 4.676 4.340 0.003 0.000 0.226 203 L C 1.189 178.245 176.870 0.310 0.000 1.113 203 L CA -0.312 54.634 54.840 0.177 0.000 0.876 203 L CB -0.059 42.023 42.059 0.039 0.000 1.072 203 L HN -0.044 nan 8.230 nan 0.000 0.468 204 A N 0.477 123.403 122.820 0.177 0.000 2.511 204 A HA 0.522 4.844 4.320 0.003 0.000 0.242 204 A C 0.555 178.016 177.584 -0.206 0.000 1.069 204 A CA 0.747 52.879 52.037 0.159 0.000 0.763 204 A CB 0.100 19.222 19.000 0.205 0.000 1.001 204 A HN 0.312 nan 8.150 nan 0.000 0.498 205 G N 0.585 109.248 108.800 -0.229 0.000 2.731 205 G HA2 0.617 4.579 3.960 0.003 0.000 0.309 205 G HA3 0.617 4.579 3.960 0.003 0.000 0.309 205 G C -1.024 173.504 174.900 -0.620 0.000 1.273 205 G CA -0.666 43.837 45.100 -0.996 0.000 0.798 205 G HN 0.913 nan 8.290 nan 0.000 0.509 206 R N -1.110 118.829 120.500 -0.934 0.000 2.673 206 R HA 0.536 4.878 4.340 0.003 0.000 0.281 206 R C -1.945 174.000 176.300 -0.593 0.000 0.991 206 R CA -0.785 54.989 56.100 -0.543 0.000 0.896 206 R CB 2.016 32.017 30.300 -0.498 0.000 1.201 206 R HN 0.569 nan 8.270 nan 0.000 0.457 207 Y N 3.586 123.713 120.300 -0.289 0.000 2.313 207 Y HA 0.355 4.907 4.550 0.003 0.000 0.332 207 Y C -1.542 174.128 175.900 -0.385 0.000 1.071 207 Y CA -0.337 57.720 58.100 -0.073 0.000 1.169 207 Y CB 0.749 39.284 38.460 0.124 0.000 1.192 207 Y HN 0.478 nan 8.280 nan 0.000 0.487 208 Y N 4.980 124.893 120.300 -0.645 0.000 2.328 208 Y HA 0.385 4.937 4.550 0.003 0.000 0.333 208 Y C -0.081 175.322 175.900 -0.827 0.000 0.958 208 Y CA -1.250 56.526 58.100 -0.540 0.000 1.167 208 Y CB 1.102 39.375 38.460 -0.312 0.000 1.151 208 Y HN 0.382 nan 8.280 nan 0.000 0.470 209 K N 3.934 124.049 120.400 -0.475 0.000 2.368 209 K HA 0.148 4.470 4.320 0.003 0.000 0.282 209 K C 0.785 177.289 176.600 -0.161 0.000 1.035 209 K CA -0.133 55.997 56.287 -0.262 0.000 0.973 209 K CB 0.948 33.421 32.500 -0.046 0.000 0.957 209 K HN 0.794 nan 8.250 nan 0.000 0.474 210 L N 1.845 122.974 121.223 -0.156 0.000 2.191 210 L HA -0.204 4.138 4.340 0.003 0.000 0.212 210 L C 2.426 179.189 176.870 -0.179 0.000 1.103 210 L CA 1.422 56.155 54.840 -0.179 0.000 0.769 210 L CB -0.613 41.289 42.059 -0.261 0.000 0.908 210 L HN 0.746 nan 8.230 nan 0.000 0.438 211 S N -0.781 114.819 115.700 -0.166 0.000 2.447 211 S HA -0.158 4.313 4.470 0.003 0.000 0.233 211 S C 1.567 176.127 174.600 -0.067 0.000 1.006 211 S CA 0.862 58.988 58.200 -0.124 0.000 0.957 211 S CB -0.138 63.002 63.200 -0.099 0.000 0.773 211 S HN 0.527 nan 8.310 nan 0.000 0.507 212 E N 0.083 120.251 120.200 -0.054 0.000 2.340 212 E HA 0.246 4.598 4.350 0.003 0.000 0.194 212 E C 0.578 177.168 176.600 -0.016 0.000 0.996 212 E CA -0.148 56.237 56.400 -0.025 0.000 0.869 212 E CB 0.071 29.762 29.700 -0.015 0.000 0.835 212 E HN 0.547 nan 8.360 nan 0.000 0.493 213 M N 2.397 121.978 119.600 -0.031 0.000 2.228 213 M HA 0.032 4.514 4.480 0.003 0.000 0.351 213 M C 0.309 176.593 176.300 -0.027 0.000 1.233 213 M CA -0.030 55.255 55.300 -0.026 0.000 1.129 213 M CB 0.754 33.321 32.600 -0.055 0.000 1.604 213 M HN -0.044 nan 8.290 nan 0.000 0.457 214 T N 0.379 114.922 114.554 -0.017 0.000 2.860 214 T HA 0.110 4.462 4.350 0.003 0.000 0.299 214 T C 0.776 175.469 174.700 -0.011 0.000 1.045 214 T CA -0.599 61.494 62.100 -0.010 0.000 1.071 214 T CB 1.076 69.939 68.868 -0.007 0.000 0.985 214 T HN 0.790 nan 8.240 nan 0.000 0.537 215 E N 0.687 120.888 120.200 0.003 0.000 2.110 215 E HA -0.154 4.198 4.350 0.003 0.000 0.193 215 E C 2.172 178.770 176.600 -0.004 0.000 0.988 215 E CA 1.637 58.044 56.400 0.013 0.000 0.804 215 E CB -0.289 29.426 29.700 0.025 0.000 0.745 215 E HN 0.827 nan 8.360 nan 0.000 0.458 216 Q N -0.405 119.388 119.800 -0.012 0.000 2.212 216 Q HA -0.054 4.288 4.340 0.003 0.000 0.199 216 Q C 1.529 177.508 176.000 -0.035 0.000 0.950 216 Q CA 1.053 56.843 55.803 -0.021 0.000 0.863 216 Q CB 0.161 28.889 28.738 -0.017 0.000 0.944 216 Q HN 0.270 nan 8.270 nan 0.000 0.465 217 D N 1.002 121.379 120.400 -0.040 0.000 2.097 217 D HA -0.167 4.475 4.640 0.003 0.000 0.195 217 D C 1.845 178.096 176.300 -0.082 0.000 0.989 217 D CA 1.161 55.123 54.000 -0.062 0.000 0.827 217 D CB -0.068 40.692 40.800 -0.067 0.000 0.966 217 D HN 0.280 nan 8.370 nan 0.000 0.456 218 Q N 0.013 119.768 119.800 -0.075 0.000 2.061 218 Q HA -0.228 4.113 4.340 0.003 0.000 0.204 218 Q C 2.163 178.109 176.000 -0.090 0.000 0.984 218 Q CA 1.359 57.106 55.803 -0.094 0.000 0.846 218 Q CB -0.105 28.605 28.738 -0.047 0.000 0.902 218 Q HN 0.143 nan 8.270 nan 0.000 0.421 219 Q N 0.815 120.579 119.800 -0.059 0.000 2.119 219 Q HA -0.149 4.193 4.340 0.003 0.000 0.201 219 Q C 1.867 177.823 176.000 -0.074 0.000 0.972 219 Q CA 1.525 57.292 55.803 -0.060 0.000 0.847 219 Q CB -0.083 28.631 28.738 -0.040 0.000 0.903 219 Q HN 0.211 nan 8.270 nan 0.000 0.433 220 R N -0.628 119.833 120.500 -0.066 0.000 2.081 220 R HA -0.103 4.239 4.340 0.003 0.000 0.235 220 R C 2.140 178.402 176.300 -0.062 0.000 1.131 220 R CA 1.326 57.387 56.100 -0.065 0.000 0.960 220 R CB -0.326 29.946 30.300 -0.047 0.000 0.856 220 R HN 0.347 nan 8.270 nan 0.000 0.436 221 L N 0.464 121.657 121.223 -0.050 0.000 2.046 221 L HA -0.204 4.138 4.340 0.003 0.000 0.208 221 L C 2.434 179.276 176.870 -0.046 0.000 1.077 221 L CA 1.343 56.188 54.840 0.007 0.000 0.747 221 L CB -0.284 41.744 42.059 -0.052 0.000 0.896 221 L HN 0.275 nan 8.230 nan 0.000 0.432 222 I N -0.390 120.116 120.570 -0.107 0.000 2.179 222 I HA -0.303 3.869 4.170 0.003 0.000 0.242 222 I C 2.035 178.063 176.117 -0.148 0.000 1.088 222 I CA 1.256 62.487 61.300 -0.114 0.000 1.357 222 I CB -0.355 37.580 38.000 -0.108 0.000 1.051 222 I HN 0.251 nan 8.210 nan 0.000 0.409 223 D N 0.659 120.951 120.400 -0.179 0.000 2.144 223 D HA -0.156 4.486 4.640 0.003 0.000 0.199 223 D C 1.399 177.383 176.300 -0.527 0.000 0.984 223 D CA 1.160 55.003 54.000 -0.262 0.000 0.834 223 D CB -0.329 40.368 40.800 -0.171 0.000 0.955 223 D HN 0.300 nan 8.370 nan 0.000 0.465 224 D N -0.595 119.531 120.400 -0.458 0.000 2.328 224 D HA -0.002 4.640 4.640 0.003 0.000 0.226 224 D C -0.065 175.685 176.300 -0.917 0.000 1.066 224 D CA 0.109 53.710 54.000 -0.664 0.000 0.861 224 D CB -0.191 40.367 40.800 -0.404 0.000 0.912 224 D HN 0.437 nan 8.370 nan 0.000 0.521 225 H N -2.691 116.172 119.070 -0.345 0.000 3.109 225 H HA -0.194 4.364 4.556 0.003 0.000 0.245 225 H C 0.708 175.971 175.328 -0.108 0.000 1.187 225 H CA 0.355 56.275 56.048 -0.214 0.000 1.136 225 H CB -2.223 27.403 29.762 -0.226 0.000 1.243 225 H HN 0.263 nan 8.280 nan 0.000 0.328 226 F N -0.500 119.544 119.950 0.157 0.000 2.656 226 F HA 0.214 4.743 4.527 0.003 0.000 0.291 226 F C 0.980 176.975 175.800 0.325 0.000 1.122 226 F CA -0.299 57.817 58.000 0.194 0.000 1.427 226 F CB 0.671 39.669 39.000 -0.004 0.000 1.125 226 F HN 0.039 nan 8.300 nan 0.000 0.583 227 L N 0.123 121.453 121.223 0.178 0.000 2.354 227 L HA 0.466 4.808 4.340 0.003 0.000 0.269 227 L C -0.482 175.974 176.870 -0.690 0.000 1.005 227 L CA -1.479 53.133 54.840 -0.381 0.000 0.819 227 L CB 0.856 42.627 42.059 -0.480 0.000 1.311 227 L HN 0.014 nan 8.230 nan 0.000 0.423 228 F N 0.326 119.489 119.950 -1.312 0.000 2.563 228 F HA 0.490 5.019 4.527 0.003 0.000 0.363 228 F C 0.821 176.408 175.800 -0.355 0.000 1.123 228 F CA -0.253 57.163 58.000 -0.974 0.000 1.307 228 F CB -1.287 37.153 39.000 -0.934 0.000 1.115 228 F HN 0.702 nan 8.300 nan 0.000 0.592 229 D N 2.664 123.057 120.400 -0.011 0.000 2.368 229 D HA 0.179 4.821 4.640 0.003 0.000 0.240 229 D C 0.037 176.348 176.300 0.019 0.000 1.169 229 D CA -0.551 53.444 54.000 -0.007 0.000 0.906 229 D CB 0.319 41.123 40.800 0.007 0.000 1.187 229 D HN 0.844 nan 8.370 nan 0.000 0.435 230 K N 0.710 121.038 120.400 -0.120 0.000 2.414 230 K HA 0.166 4.488 4.320 0.003 0.000 0.272 230 K C -1.874 174.487 176.600 -0.398 0.000 0.993 230 K CA -0.757 55.272 56.287 -0.431 0.000 0.964 230 K CB 0.877 33.085 32.500 -0.487 0.000 0.925 230 K HN 0.395 nan 8.250 nan 0.000 0.487 231 P HA -0.000 nan 4.420 nan 0.000 0.230 231 P C 0.434 177.588 177.300 -0.243 0.000 1.791 231 P CA 0.015 62.916 63.100 -0.332 0.000 1.020 231 P CB -0.167 31.327 31.700 -0.343 0.000 1.977 232 V N -1.123 118.683 119.914 -0.181 0.000 3.406 232 V HA 0.067 4.188 4.120 0.003 0.000 0.263 232 V C 1.141 177.206 176.094 -0.047 0.000 1.172 232 V CA 0.209 62.443 62.300 -0.110 0.000 1.140 232 V CB -0.874 30.891 31.823 -0.096 0.000 0.784 232 V HN 0.305 nan 8.190 nan 0.000 0.467 233 S N 2.798 118.485 115.700 -0.023 0.000 2.546 233 S HA 0.160 4.632 4.470 0.003 0.000 0.290 233 S C -0.528 174.088 174.600 0.027 0.000 1.290 233 S CA -0.249 57.970 58.200 0.033 0.000 1.069 233 S CB 0.940 64.183 63.200 0.071 0.000 0.846 233 S HN 0.503 nan 8.310 nan 0.000 0.495 234 P HA -0.067 nan 4.420 nan 0.000 0.221 234 P C 1.506 178.832 177.300 0.044 0.000 1.150 234 P CA 0.472 63.590 63.100 0.030 0.000 0.800 234 P CB 0.020 31.734 31.700 0.024 0.000 0.787 235 L N -0.773 120.491 121.223 0.069 0.000 2.043 235 L HA -0.164 4.178 4.340 0.003 0.000 0.212 235 L C 2.689 179.586 176.870 0.045 0.000 1.075 235 L CA 1.836 56.711 54.840 0.060 0.000 0.752 235 L CB -1.599 40.494 42.059 0.057 0.000 0.891 235 L HN -0.070 nan 8.230 nan 0.000 0.432 236 L N -1.955 119.290 121.223 0.038 0.000 2.168 236 L HA -0.084 4.258 4.340 0.003 0.000 0.203 236 L C 2.525 179.411 176.870 0.027 0.000 1.078 236 L CA 1.288 56.146 54.840 0.029 0.000 0.780 236 L CB -1.084 40.981 42.059 0.010 0.000 0.939 236 L HN 0.379 nan 8.230 nan 0.000 0.451 237 T N -2.821 111.742 114.554 0.014 0.000 2.746 237 T HA -0.191 4.161 4.350 0.003 0.000 0.267 237 T C 1.924 176.641 174.700 0.028 0.000 1.039 237 T CA 1.332 63.440 62.100 0.014 0.000 1.142 237 T CB -0.978 67.890 68.868 -0.000 0.000 0.866 237 T HN 0.326 nan 8.240 nan 0.000 0.444 238 C N 1.961 121.277 119.300 0.028 0.000 2.432 238 C HA 0.442 4.903 4.460 0.003 0.000 0.282 238 C C 3.230 178.244 174.990 0.040 0.000 1.388 238 C CA 0.048 59.083 59.018 0.029 0.000 1.777 238 C CB -1.661 26.094 27.740 0.025 0.000 1.882 238 C HN 0.746 nan 8.230 nan 0.000 0.520 239 A N -0.201 122.650 122.820 0.052 0.000 2.238 239 A HA 0.428 4.750 4.320 0.003 0.000 0.208 239 A C 1.811 179.452 177.584 0.094 0.000 1.177 239 A CA 1.093 53.175 52.037 0.075 0.000 0.804 239 A CB -0.762 18.283 19.000 0.075 0.000 0.823 239 A HN 1.177 nan 8.150 nan 0.000 0.482 240 G N -1.245 107.602 108.800 0.078 0.000 2.160 240 G HA2 -0.321 3.641 3.960 0.003 0.000 0.251 240 G HA3 -0.321 3.641 3.960 0.003 0.000 0.251 240 G C 0.667 175.620 174.900 0.089 0.000 1.008 240 G CA 0.709 45.862 45.100 0.089 0.000 0.724 240 G HN 0.437 nan 8.290 nan 0.000 0.514 241 M N -0.289 119.356 119.600 0.075 0.000 2.510 241 M HA 0.327 4.809 4.480 0.003 0.000 0.256 241 M C 2.387 178.739 176.300 0.087 0.000 1.132 241 M CA 1.183 56.528 55.300 0.076 0.000 1.105 241 M CB 0.382 33.017 32.600 0.058 0.000 1.375 241 M HN 0.436 nan 8.290 nan 0.000 0.477 242 A N 0.342 123.203 122.820 0.068 0.000 2.278 242 A HA 0.139 4.461 4.320 0.003 0.000 0.212 242 A C 0.825 178.507 177.584 0.162 0.000 1.213 242 A CA -0.177 51.905 52.037 0.074 0.000 0.840 242 A CB -0.376 18.611 19.000 -0.023 0.000 0.866 242 A HN 0.326 nan 8.150 nan 0.000 0.489 243 R N 1.130 121.715 120.500 0.142 0.000 2.449 243 R HA 0.142 4.483 4.340 0.003 0.000 0.296 243 R C -0.390 176.007 176.300 0.161 0.000 1.047 243 R CA 0.502 56.682 56.100 0.134 0.000 1.018 243 R CB -0.005 30.360 30.300 0.107 0.000 0.962 243 R HN 0.441 nan 8.270 nan 0.000 0.428 244 D N 1.632 122.122 120.400 0.150 0.000 3.077 244 D HA -0.265 4.377 4.640 0.003 0.000 0.212 244 D C -0.664 175.728 176.300 0.153 0.000 1.125 244 D CA 0.913 54.989 54.000 0.125 0.000 0.970 244 D CB -1.363 39.486 40.800 0.082 0.000 1.110 244 D HN 0.551 nan 8.370 nan 0.000 0.419 245 W N 2.939 124.264 121.300 0.042 0.000 2.223 245 W HA 0.231 4.893 4.660 0.003 0.000 0.334 245 W C -1.215 175.336 176.519 0.053 0.000 1.334 245 W CA -0.631 56.744 57.345 0.051 0.000 1.246 245 W CB 0.538 30.029 29.460 0.051 0.000 1.184 245 W HN -0.103 nan 8.180 nan 0.000 0.563 246 P HA -0.021 nan 4.420 nan 0.000 0.249 246 P C -0.366 176.618 177.300 -0.525 0.000 1.583 246 P CA 0.031 62.361 63.100 -1.284 0.000 0.988 246 P CB -0.046 30.771 31.700 -1.473 0.000 1.530 247 D N 1.502 121.763 120.400 -0.231 0.000 2.487 247 D HA 0.100 4.742 4.640 0.003 0.000 0.243 247 D C 0.969 177.224 176.300 -0.075 0.000 1.154 247 D CA 1.055 54.990 54.000 -0.108 0.000 0.876 247 D CB 0.580 41.360 40.800 -0.033 0.000 1.161 247 D HN 0.205 nan 8.370 nan 0.000 0.478 248 A N 3.429 126.227 122.820 -0.037 0.000 2.979 248 A HA -0.286 4.036 4.320 0.003 0.000 0.260 248 A C 0.408 178.026 177.584 0.056 0.000 1.282 248 A CA 1.282 53.329 52.037 0.017 0.000 0.971 248 A CB -1.572 17.428 19.000 0.002 0.000 1.124 248 A HN 0.702 nan 8.150 nan 0.000 0.826 249 R N -0.954 119.551 120.500 0.009 0.000 2.668 249 R HA 0.666 5.008 4.340 0.003 0.000 0.279 249 R C 0.532 176.941 176.300 0.181 0.000 0.976 249 R CA 0.264 56.418 56.100 0.089 0.000 0.978 249 R CB 1.715 32.000 30.300 -0.025 0.000 1.133 249 R HN 1.036 nan 8.270 nan 0.000 0.484 250 G N 0.796 109.814 108.800 0.365 0.000 2.506 250 G HA2 0.450 4.412 3.960 0.003 0.000 0.292 250 G HA3 0.450 4.412 3.960 0.003 0.000 0.292 250 G C -1.932 173.186 174.900 0.365 0.000 1.425 250 G CA -0.662 44.548 45.100 0.184 0.000 0.788 250 G HN 0.506 nan 8.290 nan 0.000 0.490 251 I N -0.221 120.419 120.570 0.118 0.000 2.498 251 I HA 0.741 4.912 4.170 0.003 0.000 0.290 251 I C -1.503 174.840 176.117 0.377 0.000 1.032 251 I CA -1.239 60.273 61.300 0.353 0.000 1.073 251 I CB 1.756 39.895 38.000 0.231 0.000 1.251 251 I HN 0.720 nan 8.210 nan 0.000 0.426 252 W N 8.395 129.893 121.300 0.330 0.000 2.573 252 W HA 0.628 5.289 4.660 0.003 0.000 0.326 252 W C -1.361 175.247 176.519 0.148 0.000 1.049 252 W CA -0.120 57.357 57.345 0.220 0.000 1.220 252 W CB 0.880 30.494 29.460 0.256 0.000 1.373 252 W HN 0.645 nan 8.180 nan 0.000 0.507 253 H N 1.897 120.511 119.070 -0.760 0.000 3.012 253 H HA 0.455 5.013 4.556 0.003 0.000 0.367 253 H C -0.510 174.002 175.328 -1.361 0.000 1.211 253 H CA -1.357 54.149 56.048 -0.904 0.000 1.139 253 H CB 0.481 30.016 29.762 -0.378 0.000 1.838 253 H HN 0.444 nan 8.280 nan 0.000 0.550 254 N N 0.657 118.868 118.700 -0.814 0.000 2.444 254 N HA -0.041 4.701 4.740 0.003 0.000 0.255 254 N C 0.153 175.472 175.510 -0.318 0.000 1.255 254 N CA -0.309 52.380 53.050 -0.601 0.000 0.933 254 N CB 0.371 38.769 38.487 -0.149 0.000 1.143 254 N HN 0.788 nan 8.380 nan 0.000 0.453 255 Y N -0.888 119.395 120.300 -0.029 0.000 2.274 255 Y HA -0.119 4.433 4.550 0.003 0.000 0.290 255 Y C 1.219 177.089 175.900 -0.049 0.000 1.145 255 Y CA 1.089 59.192 58.100 0.005 0.000 1.203 255 Y CB -0.117 38.342 38.460 -0.001 0.000 0.984 255 Y HN 0.461 nan 8.280 nan 0.000 0.533 256 D N -0.104 120.331 120.400 0.058 0.000 2.363 256 D HA -0.064 4.578 4.640 0.003 0.000 0.220 256 D C 0.553 176.765 176.300 -0.147 0.000 0.994 256 D CA 0.595 54.586 54.000 -0.014 0.000 0.890 256 D CB -0.120 40.700 40.800 0.034 0.000 0.906 256 D HN 0.120 nan 8.370 nan 0.000 0.530 257 K N -0.590 119.657 120.400 -0.254 0.000 3.129 257 K HA -0.165 4.157 4.320 0.003 0.000 0.273 257 K C 0.968 177.444 176.600 -0.206 0.000 1.123 257 K CA 1.117 57.095 56.287 -0.515 0.000 0.800 257 K CB -2.889 28.865 32.500 -1.244 0.000 1.238 257 K HN 0.433 nan 8.250 nan 0.000 0.492 258 T N -3.402 111.154 114.554 0.003 0.000 3.015 258 T HA 0.207 4.559 4.350 0.003 0.000 0.250 258 T C 0.341 175.205 174.700 0.275 0.000 1.057 258 T CA -0.031 62.151 62.100 0.137 0.000 1.066 258 T CB 0.067 69.010 68.868 0.125 0.000 0.959 258 T HN 0.172 nan 8.240 nan 0.000 0.488 259 F N 1.969 121.967 119.950 0.080 0.000 2.496 259 F HA 0.706 5.235 4.527 0.003 0.000 0.341 259 F C -1.839 174.110 175.800 0.248 0.000 1.134 259 F CA -2.318 55.788 58.000 0.177 0.000 0.968 259 F CB 1.145 40.274 39.000 0.216 0.000 1.205 259 F HN -0.076 nan 8.300 nan 0.000 0.436 260 L N 6.342 127.518 121.223 -0.078 0.000 2.354 260 L HA 0.655 4.997 4.340 0.003 0.000 0.264 260 L C -0.827 175.996 176.870 -0.078 0.000 1.008 260 L CA -0.604 54.270 54.840 0.057 0.000 0.819 260 L CB 2.266 44.419 42.059 0.156 0.000 1.339 260 L HN 0.401 nan 8.230 nan 0.000 0.420 261 I N 0.653 121.372 120.570 0.249 0.000 2.499 261 I HA 0.336 4.508 4.170 0.003 0.000 0.288 261 I C -1.357 175.065 176.117 0.508 0.000 1.048 261 I CA -0.477 60.917 61.300 0.156 0.000 1.062 261 I CB 1.924 39.958 38.000 0.056 0.000 1.238 261 I HN 0.411 nan 8.210 nan 0.000 0.426 262 W N 6.589 128.053 121.300 0.274 0.000 2.391 262 W HA 0.468 5.130 4.660 0.003 0.000 0.311 262 W C -0.470 176.212 176.519 0.273 0.000 1.087 262 W CA -0.939 56.648 57.345 0.402 0.000 1.209 262 W CB 0.838 30.582 29.460 0.474 0.000 1.273 262 W HN 0.086 nan 8.180 nan 0.000 0.482 263 I N 4.870 125.770 120.570 0.550 0.000 2.339 263 I HA 0.123 4.295 4.170 0.003 0.000 0.290 263 I C 0.568 176.808 176.117 0.204 0.000 0.994 263 I CA -0.899 60.600 61.300 0.330 0.000 1.191 263 I CB 0.772 38.991 38.000 0.365 0.000 1.343 263 I HN 0.498 nan 8.210 nan 0.000 0.458 264 N N 3.708 122.488 118.700 0.132 0.000 2.782 264 N HA -0.216 4.525 4.740 0.003 0.000 0.251 264 N C 0.982 176.489 175.510 -0.005 0.000 1.101 264 N CA 1.306 54.407 53.050 0.084 0.000 0.764 264 N CB -0.589 37.939 38.487 0.068 0.000 1.122 264 N HN 0.766 nan 8.380 nan 0.000 0.561 265 E N 0.982 121.099 120.200 -0.137 0.000 2.046 265 E HA 0.119 4.471 4.350 0.003 0.000 0.199 265 E C 1.193 177.742 176.600 -0.084 0.000 0.948 265 E CA 1.216 57.421 56.400 -0.325 0.000 0.876 265 E CB -0.142 28.863 29.700 -1.157 0.000 0.901 265 E HN 0.317 nan 8.360 nan 0.000 0.479 266 E N 0.438 120.636 120.200 -0.003 0.000 2.299 266 E HA 0.185 4.537 4.350 0.003 0.000 0.193 266 E C -0.356 176.283 176.600 0.065 0.000 0.998 266 E CA 0.582 57.020 56.400 0.064 0.000 0.851 266 E CB 0.424 30.205 29.700 0.135 0.000 0.795 266 E HN 0.150 nan 8.360 nan 0.000 0.492 267 D N -2.632 117.815 120.400 0.077 0.000 2.692 267 D HA 0.148 4.790 4.640 0.003 0.000 0.303 267 D C 0.413 176.795 176.300 0.138 0.000 1.278 267 D CA -0.560 53.473 54.000 0.055 0.000 0.852 267 D CB 0.458 41.283 40.800 0.042 0.000 1.375 267 D HN -0.034 nan 8.370 nan 0.000 0.453 268 H N -0.375 118.724 119.070 0.048 0.000 2.290 268 H HA -0.053 4.504 4.556 0.003 0.000 0.298 268 H C 0.657 176.012 175.328 0.045 0.000 1.087 268 H CA 1.481 57.548 56.048 0.032 0.000 1.291 268 H CB 0.337 30.114 29.762 0.026 0.000 1.369 268 H HN 0.281 nan 8.280 nan 0.000 0.492 269 T N -1.013 113.651 114.554 0.184 0.000 2.912 269 T HA 0.521 4.873 4.350 0.003 0.000 0.299 269 T C -0.626 174.119 174.700 0.075 0.000 1.052 269 T CA -1.247 60.923 62.100 0.116 0.000 0.996 269 T CB 3.042 71.937 68.868 0.046 0.000 1.070 269 T HN 0.022 nan 8.240 nan 0.000 0.465 270 R N 1.992 122.543 120.500 0.085 0.000 2.393 270 R HA 0.607 4.949 4.340 0.003 0.000 0.315 270 R C -1.128 175.079 176.300 -0.156 0.000 0.952 270 R CA -0.727 55.355 56.100 -0.029 0.000 0.842 270 R CB 1.985 32.276 30.300 -0.015 0.000 1.163 270 R HN 0.648 nan 8.270 nan 0.000 0.450 271 V N 5.709 125.532 119.914 -0.152 0.000 2.394 271 V HA 0.512 4.634 4.120 0.003 0.000 0.282 271 V C 0.312 176.354 176.094 -0.086 0.000 1.031 271 V CA -0.608 61.567 62.300 -0.208 0.000 0.881 271 V CB 1.599 33.303 31.823 -0.199 0.000 0.982 271 V HN 0.552 nan 8.190 nan 0.000 0.451 272 I N 3.529 123.975 120.570 -0.206 0.000 2.466 272 I HA 0.454 4.626 4.170 0.003 0.000 0.289 272 I C -0.069 176.146 176.117 0.163 0.000 1.026 272 I CA -0.108 61.160 61.300 -0.053 0.000 1.078 272 I CB 2.174 40.028 38.000 -0.243 0.000 1.249 272 I HN 0.565 nan 8.210 nan 0.000 0.429 273 S N 8.096 124.014 115.700 0.364 0.000 2.449 273 S HA 0.878 5.350 4.470 0.003 0.000 0.310 273 S C -0.586 174.152 174.600 0.230 0.000 1.096 273 S CA -0.615 57.834 58.200 0.414 0.000 1.095 273 S CB 0.587 64.096 63.200 0.516 0.000 1.007 273 S HN 0.606 nan 8.310 nan 0.000 0.474 274 M N 2.678 122.406 119.600 0.214 0.000 2.578 274 M HA 0.709 5.191 4.480 0.003 0.000 0.276 274 M C -1.595 174.809 176.300 0.172 0.000 1.245 274 M CA -0.719 54.679 55.300 0.164 0.000 0.871 274 M CB 2.053 34.743 32.600 0.150 0.000 1.722 274 M HN 0.478 nan 8.290 nan 0.000 0.473 275 E N 0.485 120.766 120.200 0.135 0.000 2.392 275 E HA 0.565 4.917 4.350 0.003 0.000 0.279 275 E C -1.140 175.519 176.600 0.099 0.000 0.964 275 E CA -0.788 55.688 56.400 0.126 0.000 0.777 275 E CB 2.478 32.242 29.700 0.107 0.000 1.249 275 E HN 0.801 nan 8.360 nan 0.000 0.449 276 K N 0.729 121.188 120.400 0.099 0.000 2.382 276 K HA 0.601 4.923 4.320 0.003 0.000 0.275 276 K C 0.546 177.191 176.600 0.074 0.000 1.009 276 K CA 0.574 56.907 56.287 0.077 0.000 0.970 276 K CB 0.266 32.811 32.500 0.074 0.000 0.934 276 K HN 0.921 nan 8.250 nan 0.000 0.479 277 G N -0.529 108.317 108.800 0.076 0.000 2.526 277 G HA2 0.312 4.274 3.960 0.003 0.000 0.250 277 G HA3 0.312 4.274 3.960 0.003 0.000 0.250 277 G C 0.665 175.647 174.900 0.137 0.000 1.289 277 G CA 0.366 45.515 45.100 0.082 0.000 0.947 277 G HN 1.654 nan 8.290 nan 0.000 0.517 278 G N -0.658 108.233 108.800 0.153 0.000 3.969 278 G HA2 0.376 4.338 3.960 0.003 0.000 0.291 278 G HA3 0.376 4.338 3.960 0.003 0.000 0.291 278 G C 0.299 175.236 174.900 0.061 0.000 1.016 278 G CA 0.676 45.942 45.100 0.276 0.000 0.819 278 G HN 0.735 nan 8.290 nan 0.000 0.493 279 N N 1.437 120.154 118.700 0.028 0.000 3.124 279 N HA 0.127 4.869 4.740 0.003 0.000 0.284 279 N C 1.517 177.013 175.510 -0.024 0.000 1.209 279 N CA -0.417 52.612 53.050 -0.036 0.000 1.149 279 N CB 0.664 39.151 38.487 0.000 0.000 1.434 279 N HN 0.166 nan 8.380 nan 0.000 0.529 280 M N 2.480 122.011 119.600 -0.117 0.000 2.117 280 M HA -0.091 4.390 4.480 0.003 0.000 0.262 280 M C 1.906 178.212 176.300 0.010 0.000 1.065 280 M CA 1.699 56.970 55.300 -0.048 0.000 1.114 280 M CB -0.156 32.339 32.600 -0.175 0.000 1.361 280 M HN 0.377 nan 8.290 nan 0.000 0.408 281 K N -0.495 119.880 120.400 -0.043 0.000 2.113 281 K HA -0.264 4.058 4.320 0.003 0.000 0.208 281 K C 2.336 178.993 176.600 0.096 0.000 1.047 281 K CA 1.936 58.254 56.287 0.051 0.000 0.928 281 K CB -0.279 32.220 32.500 -0.002 0.000 0.716 281 K HN 0.432 nan 8.250 nan 0.000 0.446 282 R N 0.126 120.658 120.500 0.054 0.000 2.090 282 R HA -0.049 4.293 4.340 0.003 0.000 0.228 282 R C 2.100 178.458 176.300 0.097 0.000 1.110 282 R CA 0.974 57.110 56.100 0.060 0.000 0.973 282 R CB -0.010 30.314 30.300 0.039 0.000 0.869 282 R HN 0.062 nan 8.270 nan 0.000 0.440 283 V N 0.755 120.743 119.914 0.123 0.000 2.295 283 V HA -0.236 3.885 4.120 0.003 0.000 0.246 283 V C 1.995 178.241 176.094 0.252 0.000 1.049 283 V CA 1.809 64.210 62.300 0.167 0.000 1.024 283 V CB -0.609 31.302 31.823 0.147 0.000 0.648 283 V HN 0.316 nan 8.190 nan 0.000 0.447 284 F N 1.074 121.065 119.950 0.068 0.000 2.186 284 F HA -0.112 4.417 4.527 0.003 0.000 0.299 284 F C 2.320 178.213 175.800 0.155 0.000 1.090 284 F CA 1.740 59.803 58.000 0.105 0.000 1.307 284 F CB -0.302 38.717 39.000 0.032 0.000 1.019 284 F HN 0.240 nan 8.300 nan 0.000 0.489 285 E N -0.251 119.975 120.200 0.044 0.000 2.077 285 E HA -0.261 4.091 4.350 0.003 0.000 0.193 285 E C 2.342 178.877 176.600 -0.108 0.000 0.989 285 E CA 1.263 57.608 56.400 -0.092 0.000 0.800 285 E CB -0.226 29.461 29.700 -0.023 0.000 0.746 285 E HN 0.335 nan 8.360 nan 0.000 0.452 286 R N -0.063 120.421 120.500 -0.028 0.000 2.115 286 R HA -0.117 4.225 4.340 0.003 0.000 0.226 286 R C 2.148 178.372 176.300 -0.126 0.000 1.100 286 R CA 0.760 56.807 56.100 -0.088 0.000 0.980 286 R CB -0.192 30.102 30.300 -0.011 0.000 0.875 286 R HN 0.142 nan 8.270 nan 0.000 0.445 287 F N 0.622 120.520 119.950 -0.086 0.000 2.075 287 F HA -0.276 4.252 4.527 0.003 0.000 0.297 287 F C 2.120 177.832 175.800 -0.147 0.000 1.113 287 F CA 1.655 59.661 58.000 0.011 0.000 1.218 287 F CB -0.643 38.429 39.000 0.120 0.000 0.984 287 F HN 0.038 nan 8.300 nan 0.000 0.472 288 C N 0.799 119.944 119.300 -0.258 0.000 2.436 288 C HA -0.142 4.320 4.460 0.003 0.000 0.277 288 C C 2.867 177.643 174.990 -0.356 0.000 1.241 288 C CA 1.442 60.217 59.018 -0.405 0.000 1.721 288 C CB -1.293 26.148 27.740 -0.499 0.000 2.043 288 C HN 0.554 nan 8.230 nan 0.000 0.472 289 R N 0.801 121.116 120.500 -0.308 0.000 2.083 289 R HA -0.100 4.242 4.340 0.003 0.000 0.237 289 R C 2.283 178.373 176.300 -0.351 0.000 1.137 289 R CA 2.079 58.014 56.100 -0.277 0.000 0.951 289 R CB -0.778 29.383 30.300 -0.232 0.000 0.851 289 R HN 0.546 nan 8.270 nan 0.000 0.434 290 G N 1.074 109.546 108.800 -0.547 0.000 2.418 290 G HA2 -0.267 3.695 3.960 0.003 0.000 0.217 290 G HA3 -0.267 3.695 3.960 0.003 0.000 0.217 290 G C 1.298 176.000 174.900 -0.330 0.000 1.158 290 G CA 0.728 45.336 45.100 -0.821 0.000 0.771 290 G HN 0.316 nan 8.290 nan 0.000 0.545 291 L N 0.529 121.553 121.223 -0.333 0.000 2.046 291 L HA 0.101 4.443 4.340 0.003 0.000 0.208 291 L C 2.682 179.398 176.870 -0.258 0.000 1.077 291 L CA 1.887 56.533 54.840 -0.324 0.000 0.747 291 L CB -0.454 41.206 42.059 -0.664 0.000 0.896 291 L HN 0.128 nan 8.230 nan 0.000 0.432 292 K N -0.807 119.447 120.400 -0.244 0.000 2.097 292 K HA -0.204 4.118 4.320 0.003 0.000 0.205 292 K C 2.036 178.571 176.600 -0.109 0.000 1.050 292 K CA 1.347 57.539 56.287 -0.159 0.000 0.938 292 K CB -0.043 32.368 32.500 -0.148 0.000 0.718 292 K HN 0.255 nan 8.250 nan 0.000 0.442 293 E N 0.911 121.034 120.200 -0.128 0.000 2.072 293 E HA -0.122 4.230 4.350 0.003 0.000 0.191 293 E C 1.790 178.353 176.600 -0.062 0.000 0.985 293 E CA 0.910 57.255 56.400 -0.091 0.000 0.801 293 E CB -0.061 29.572 29.700 -0.111 0.000 0.750 293 E HN -0.033 nan 8.360 nan 0.000 0.452 294 V N 1.103 120.977 119.914 -0.067 0.000 2.287 294 V HA -0.290 3.832 4.120 0.003 0.000 0.248 294 V C 2.466 178.595 176.094 0.058 0.000 1.053 294 V CA 2.338 64.611 62.300 -0.044 0.000 1.027 294 V CB -0.675 31.108 31.823 -0.065 0.000 0.646 294 V HN 0.448 nan 8.190 nan 0.000 0.447 295 E N 0.340 120.581 120.200 0.069 0.000 2.058 295 E HA -0.294 4.058 4.350 0.003 0.000 0.194 295 E C 2.465 179.181 176.600 0.194 0.000 0.997 295 E CA 1.714 58.295 56.400 0.302 0.000 0.801 295 E CB -0.234 29.563 29.700 0.161 0.000 0.746 295 E HN 0.464 nan 8.360 nan 0.000 0.450 296 R N 0.134 120.673 120.500 0.066 0.000 2.081 296 R HA -0.126 4.216 4.340 0.003 0.000 0.235 296 R C 2.511 178.818 176.300 0.013 0.000 1.131 296 R CA 1.419 57.534 56.100 0.025 0.000 0.960 296 R CB -0.200 30.096 30.300 -0.008 0.000 0.856 296 R HN 0.291 nan 8.270 nan 0.000 0.436 297 L N 0.133 121.358 121.223 0.004 0.000 2.109 297 L HA -0.135 4.207 4.340 0.003 0.000 0.207 297 L C 2.379 179.245 176.870 -0.006 0.000 1.086 297 L CA 0.961 55.793 54.840 -0.013 0.000 0.760 297 L CB -0.247 41.788 42.059 -0.040 0.000 0.910 297 L HN 0.229 nan 8.230 nan 0.000 0.437 298 I N -0.535 120.035 120.570 0.001 0.000 2.226 298 I HA -0.308 3.864 4.170 0.003 0.000 0.245 298 I C 2.547 178.664 176.117 -0.000 0.000 1.100 298 I CA 1.367 62.648 61.300 -0.031 0.000 1.374 298 I CB -0.171 37.767 38.000 -0.105 0.000 1.057 298 I HN 0.331 nan 8.210 nan 0.000 0.413 299 Q N 0.114 119.897 119.800 -0.028 0.000 2.167 299 Q HA -0.249 4.093 4.340 0.003 0.000 0.202 299 Q C 2.061 178.053 176.000 -0.013 0.000 0.970 299 Q CA 1.304 57.088 55.803 -0.032 0.000 0.855 299 Q CB -0.119 28.608 28.738 -0.020 0.000 0.911 299 Q HN 0.470 nan 8.270 nan 0.000 0.438 300 E N 0.689 120.888 120.200 -0.001 0.000 2.118 300 E HA -0.196 4.156 4.350 0.003 0.000 0.195 300 E C 1.430 178.032 176.600 0.003 0.000 0.992 300 E CA 0.748 57.145 56.400 -0.005 0.000 0.804 300 E CB 0.253 29.951 29.700 -0.003 0.000 0.741 300 E HN 0.089 nan 8.360 nan 0.000 0.458 301 R N -0.869 119.659 120.500 0.048 0.000 2.313 301 R HA 0.064 4.406 4.340 0.003 0.000 0.199 301 R C 1.248 177.542 176.300 -0.010 0.000 0.958 301 R CA 0.815 56.967 56.100 0.086 0.000 1.047 301 R CB 0.407 30.844 30.300 0.229 0.000 0.955 301 R HN 0.417 nan 8.270 nan 0.000 0.481 302 G N -0.232 108.521 108.800 -0.079 0.000 2.176 302 G HA2 -0.224 3.738 3.960 0.003 0.000 0.232 302 G HA3 -0.224 3.738 3.960 0.003 0.000 0.232 302 G C -0.372 174.317 174.900 -0.351 0.000 0.986 302 G CA -0.214 44.743 45.100 -0.238 0.000 0.643 302 G HN 0.273 nan 8.290 nan 0.000 0.522 303 W N 1.847 123.055 121.300 -0.153 0.000 2.316 303 W HA 0.638 5.300 4.660 0.003 0.000 0.321 303 W C 0.704 177.051 176.519 -0.288 0.000 1.203 303 W CA -0.521 56.702 57.345 -0.204 0.000 1.214 303 W CB 0.632 29.946 29.460 -0.242 0.000 1.169 303 W HN 0.201 nan 8.180 nan 0.000 0.561 304 E N 1.586 121.771 120.200 -0.024 0.000 2.235 304 E HA 0.492 4.843 4.350 0.003 0.000 0.265 304 E C -1.107 175.395 176.600 -0.165 0.000 0.940 304 E CA -1.127 55.203 56.400 -0.117 0.000 0.819 304 E CB 1.380 31.089 29.700 0.014 0.000 1.206 304 E HN 0.102 nan 8.360 nan 0.000 0.409 305 F N 0.744 120.819 119.950 0.208 0.000 2.370 305 F HA 0.278 4.807 4.527 0.003 0.000 0.324 305 F C 0.801 176.773 175.800 0.287 0.000 1.116 305 F CA -0.680 57.473 58.000 0.256 0.000 1.123 305 F CB 0.525 39.713 39.000 0.313 0.000 1.238 305 F HN 0.168 nan 8.300 nan 0.000 0.536 306 M N 2.041 121.931 119.600 0.483 0.000 2.184 306 M HA 0.158 4.640 4.480 0.003 0.000 0.351 306 M C -1.181 175.355 176.300 0.392 0.000 1.395 306 M CA 0.474 55.975 55.300 0.335 0.000 1.117 306 M CB 0.396 33.128 32.600 0.221 0.000 1.708 306 M HN 0.715 nan 8.290 nan 0.000 0.468 307 W N 5.591 126.910 121.300 0.033 0.000 3.571 307 W HA 0.449 5.110 4.660 0.003 0.000 0.294 307 W C -1.920 174.526 176.519 -0.121 0.000 1.257 307 W CA -0.543 56.718 57.345 -0.140 0.000 1.206 307 W CB 1.115 30.401 29.460 -0.290 0.000 1.325 307 W HN 0.749 nan 8.180 nan 0.000 0.546 308 N N 1.204 119.198 118.700 -1.177 0.000 2.774 308 N HA 0.306 5.048 4.740 0.003 0.000 0.264 308 N C 0.115 174.528 175.510 -1.827 0.000 1.415 308 N CA -0.364 51.857 53.050 -1.382 0.000 0.815 308 N CB 1.192 39.347 38.487 -0.554 0.000 1.514 308 N HN 0.572 nan 8.380 nan 0.000 0.523 309 E N -0.700 118.783 120.200 -1.195 0.000 2.358 309 E HA 0.013 4.365 4.350 0.003 0.000 0.195 309 E C 0.919 177.338 176.600 -0.303 0.000 1.010 309 E CA 0.468 56.488 56.400 -0.633 0.000 0.856 309 E CB 0.036 29.606 29.700 -0.217 0.000 0.795 309 E HN 0.466 nan 8.360 nan 0.000 0.504 310 R N 0.316 120.636 120.500 -0.299 0.000 2.128 310 R HA 0.208 4.550 4.340 0.003 0.000 0.211 310 R C 2.045 178.298 176.300 -0.078 0.000 1.067 310 R CA 0.515 56.555 56.100 -0.099 0.000 1.010 310 R CB 0.170 30.413 30.300 -0.095 0.000 0.922 310 R HN 0.217 nan 8.270 nan 0.000 0.457 311 L N -0.258 120.779 121.223 -0.310 0.000 2.616 311 L HA 0.251 4.593 4.340 0.003 0.000 0.229 311 L C 1.181 177.741 176.870 -0.518 0.000 1.110 311 L CA 0.191 54.796 54.840 -0.392 0.000 0.884 311 L CB -0.039 41.722 42.059 -0.497 0.000 1.115 311 L HN 0.325 nan 8.230 nan 0.000 0.481 312 G N 0.282 108.744 108.800 -0.564 0.000 2.574 312 G HA2 -0.352 3.610 3.960 0.003 0.000 0.286 312 G HA3 -0.352 3.610 3.960 0.003 0.000 0.286 312 G C -0.398 174.206 174.900 -0.495 0.000 1.212 312 G CA -0.057 44.733 45.100 -0.516 0.000 0.979 312 G HN 0.119 nan 8.290 nan 0.000 0.557 313 Y N 0.564 120.833 120.300 -0.051 0.000 2.377 313 Y HA 0.549 5.100 4.550 0.003 0.000 0.330 313 Y C 1.282 177.098 175.900 -0.139 0.000 1.108 313 Y CA -0.112 58.005 58.100 0.027 0.000 1.308 313 Y CB 0.659 39.151 38.460 0.053 0.000 1.216 313 Y HN 0.441 nan 8.280 nan 0.000 0.518 314 I N 5.340 125.935 120.570 0.042 0.000 2.342 314 I HA 0.285 4.457 4.170 0.003 0.000 0.291 314 I C -0.343 175.781 176.117 0.011 0.000 1.010 314 I CA 0.024 61.261 61.300 -0.104 0.000 1.308 314 I CB 0.476 38.411 38.000 -0.107 0.000 1.400 314 I HN 0.428 nan 8.210 nan 0.000 0.488 315 L N 4.247 125.472 121.223 0.004 0.000 2.277 315 L HA 0.416 4.757 4.340 0.003 0.000 0.254 315 L C 1.212 178.155 176.870 0.122 0.000 1.044 315 L CA -0.610 54.254 54.840 0.040 0.000 0.842 315 L CB 1.939 44.018 42.059 0.033 0.000 1.422 315 L HN 0.479 nan 8.230 nan 0.000 0.422 316 T N -0.973 113.619 114.554 0.064 0.000 2.652 316 T HA -0.174 4.178 4.350 0.003 0.000 0.267 316 T C 0.505 175.295 174.700 0.149 0.000 1.039 316 T CA 1.146 63.288 62.100 0.069 0.000 1.153 316 T CB -0.124 68.765 68.868 0.036 0.000 0.863 316 T HN 0.507 nan 8.240 nan 0.000 0.428 317 C N 2.207 121.603 119.300 0.160 0.000 2.350 317 C HA 0.395 4.857 4.460 0.003 0.000 0.348 317 C C -1.331 173.820 174.990 0.267 0.000 1.260 317 C CA -2.225 56.914 59.018 0.201 0.000 1.966 317 C CB 1.089 28.912 27.740 0.138 0.000 2.380 317 C HN 0.292 nan 8.230 nan 0.000 0.535 318 P HA -0.141 nan 4.420 nan 0.000 0.218 318 P C 1.565 179.102 177.300 0.393 0.000 1.146 318 P CA 2.028 65.364 63.100 0.394 0.000 0.813 318 P CB 0.015 32.002 31.700 0.479 0.000 0.778 319 S N -1.722 114.147 115.700 0.282 0.000 2.442 319 S HA -0.078 4.394 4.470 0.003 0.000 0.236 319 S C 1.383 176.154 174.600 0.286 0.000 1.007 319 S CA 0.923 59.258 58.200 0.225 0.000 0.965 319 S CB -0.914 62.316 63.200 0.051 0.000 0.773 319 S HN 0.123 nan 8.310 nan 0.000 0.504 320 N N 1.083 119.891 118.700 0.181 0.000 2.273 320 N HA 0.397 5.139 4.740 0.003 0.000 0.231 320 N C -0.238 175.269 175.510 -0.005 0.000 1.134 320 N CA -0.034 53.072 53.050 0.092 0.000 0.856 320 N CB 0.249 38.781 38.487 0.075 0.000 1.068 320 N HN 0.437 nan 8.380 nan 0.000 0.510 321 L N -0.893 120.272 121.223 -0.097 0.000 2.479 321 L HA 0.378 4.720 4.340 0.003 0.000 0.249 321 L C 1.763 178.378 176.870 -0.425 0.000 1.178 321 L CA 0.157 54.824 54.840 -0.288 0.000 0.811 321 L CB 0.327 42.147 42.059 -0.398 0.000 1.187 321 L HN 0.281 nan 8.230 nan 0.000 0.480 322 G N 0.181 108.641 108.800 -0.566 0.000 4.026 322 G HA2 -0.422 3.540 3.960 0.003 0.000 0.309 322 G HA3 -0.422 3.540 3.960 0.003 0.000 0.309 322 G C 0.883 175.467 174.900 -0.527 0.000 1.411 322 G CA 0.840 45.303 45.100 -1.061 0.000 1.037 322 G HN 0.753 nan 8.290 nan 0.000 0.687 323 T N -1.212 113.201 114.554 -0.235 0.000 3.023 323 T HA 0.438 4.790 4.350 0.003 0.000 0.249 323 T C 2.688 177.445 174.700 0.095 0.000 1.050 323 T CA 1.734 63.913 62.100 0.132 0.000 1.088 323 T CB 0.233 69.210 68.868 0.182 0.000 0.946 323 T HN 2.632 nan 8.240 nan 0.000 0.480 324 G N 1.553 110.360 108.800 0.011 0.000 2.187 324 G HA2 -0.252 3.710 3.960 0.003 0.000 0.261 324 G HA3 -0.252 3.710 3.960 0.003 0.000 0.261 324 G C -0.081 174.845 174.900 0.044 0.000 1.000 324 G CA 0.534 45.650 45.100 0.027 0.000 0.718 324 G HN 0.798 nan 8.290 nan 0.000 0.519 325 L N -0.173 121.078 121.223 0.046 0.000 2.276 325 L HA 0.764 5.105 4.340 0.003 0.000 0.286 325 L C 0.532 177.389 176.870 -0.021 0.000 1.061 325 L CA -1.009 53.840 54.840 0.016 0.000 0.807 325 L CB 0.913 42.992 42.059 0.033 0.000 1.177 325 L HN 0.169 nan 8.230 nan 0.000 0.429 326 R N 4.737 125.203 120.500 -0.058 0.000 2.407 326 R HA 0.608 4.950 4.340 0.003 0.000 0.298 326 R C -1.225 175.012 176.300 -0.104 0.000 1.166 326 R CA -0.421 55.645 56.100 -0.056 0.000 1.006 326 R CB 1.279 31.565 30.300 -0.023 0.000 1.145 326 R HN 0.742 nan 8.270 nan 0.000 0.538 327 A N 2.379 125.128 122.820 -0.119 0.000 2.301 327 A HA 0.827 5.149 4.320 0.003 0.000 0.312 327 A C -0.148 177.404 177.584 -0.053 0.000 1.182 327 A CA -0.124 51.839 52.037 -0.123 0.000 0.826 327 A CB 1.436 20.331 19.000 -0.176 0.000 1.134 327 A HN 0.844 nan 8.150 nan 0.000 0.501 328 G N -0.541 108.245 108.800 -0.022 0.000 2.554 328 G HA2 0.687 4.649 3.960 0.003 0.000 0.306 328 G HA3 0.687 4.649 3.960 0.003 0.000 0.306 328 G C -1.036 173.870 174.900 0.010 0.000 1.320 328 G CA 0.226 45.323 45.100 -0.006 0.000 0.800 328 G HN 1.986 nan 8.290 nan 0.000 0.481 329 V N -3.156 116.756 119.914 -0.004 0.000 3.007 329 V HA 0.758 4.880 4.120 0.003 0.000 0.311 329 V C -1.176 174.992 176.094 0.123 0.000 1.120 329 V CA -1.309 60.996 62.300 0.008 0.000 0.980 329 V CB 1.797 33.543 31.823 -0.128 0.000 1.033 329 V HN 0.780 nan 8.190 nan 0.000 0.429 330 H N 1.526 120.574 119.070 -0.036 0.000 2.846 330 H HA 0.700 5.258 4.556 0.003 0.000 0.278 330 H C -0.317 175.013 175.328 0.004 0.000 1.117 330 H CA -0.220 55.806 56.048 -0.037 0.000 1.406 330 H CB 1.287 31.010 29.762 -0.066 0.000 1.445 330 H HN 0.700 nan 8.280 nan 0.000 0.469 331 V N 3.683 123.670 119.914 0.121 0.000 2.444 331 V HA 0.574 4.695 4.120 0.003 0.000 0.294 331 V C -0.063 176.114 176.094 0.138 0.000 1.022 331 V CA -0.790 61.573 62.300 0.105 0.000 0.850 331 V CB 0.880 32.720 31.823 0.028 0.000 0.992 331 V HN 0.923 nan 8.190 nan 0.000 0.426 332 R N 6.721 127.322 120.500 0.168 0.000 2.343 332 R HA 0.521 4.863 4.340 0.003 0.000 0.326 332 R C 0.040 176.434 176.300 0.157 0.000 1.055 332 R CA 0.577 56.782 56.100 0.176 0.000 0.961 332 R CB -0.380 30.034 30.300 0.189 0.000 0.978 332 R HN 1.174 nan 8.270 nan 0.000 0.443 333 I N -0.155 120.463 120.570 0.080 0.000 2.900 333 I HA 0.320 4.492 4.170 0.003 0.000 0.331 333 I C -2.087 173.952 176.117 -0.130 0.000 1.427 333 I CA -2.000 59.252 61.300 -0.079 0.000 0.836 333 I CB 2.061 39.941 38.000 -0.199 0.000 2.115 333 I HN 0.327 nan 8.210 nan 0.000 0.578 334 P HA -0.219 nan 4.420 nan 0.000 0.215 334 P C 1.728 178.968 177.300 -0.100 0.000 1.153 334 P CA 2.369 65.450 63.100 -0.032 0.000 0.853 334 P CB 0.200 31.907 31.700 0.011 0.000 0.788 335 K N -0.115 120.224 120.400 -0.102 0.000 2.116 335 K HA -0.023 4.298 4.320 0.003 0.000 0.203 335 K C 2.111 178.604 176.600 -0.179 0.000 1.052 335 K CA 1.393 57.613 56.287 -0.112 0.000 0.952 335 K CB -1.636 30.819 32.500 -0.075 0.000 0.729 335 K HN 0.093 nan 8.250 nan 0.000 0.446 336 L N 1.352 122.424 121.223 -0.251 0.000 2.179 336 L HA -0.018 4.324 4.340 0.003 0.000 0.208 336 L C 2.592 179.065 176.870 -0.662 0.000 1.096 336 L CA 2.331 56.977 54.840 -0.322 0.000 0.779 336 L CB -0.234 41.673 42.059 -0.254 0.000 0.922 336 L HN 0.483 nan 8.230 nan 0.000 0.443 337 S N -1.111 114.060 115.700 -0.883 0.000 2.402 337 S HA -0.187 4.284 4.470 0.003 0.000 0.229 337 S C 1.931 176.191 174.600 -0.568 0.000 1.021 337 S CA 1.101 58.546 58.200 -1.259 0.000 0.974 337 S CB -0.524 62.048 63.200 -1.046 0.000 0.800 337 S HN 0.499 nan 8.310 nan 0.000 0.484 338 K N 1.353 121.569 120.400 -0.306 0.000 2.296 338 K HA 0.094 4.416 4.320 0.003 0.000 0.200 338 K C 0.633 177.171 176.600 -0.102 0.000 1.048 338 K CA 0.468 56.671 56.287 -0.140 0.000 0.966 338 K CB -0.148 32.299 32.500 -0.089 0.000 0.754 338 K HN 0.431 nan 8.250 nan 0.000 0.466 339 D N 1.615 121.937 120.400 -0.131 0.000 2.458 339 D HA -0.023 4.619 4.640 0.003 0.000 0.243 339 D C -1.609 174.697 176.300 0.010 0.000 1.146 339 D CA -1.294 52.675 54.000 -0.053 0.000 0.877 339 D CB 1.254 42.024 40.800 -0.049 0.000 1.176 339 D HN -0.013 nan 8.370 nan 0.000 0.461 340 P HA -0.023 nan 4.420 nan 0.000 0.237 340 P C 0.685 178.027 177.300 0.069 0.000 1.178 340 P CA 0.524 63.652 63.100 0.047 0.000 0.766 340 P CB 0.284 32.001 31.700 0.028 0.000 0.876 341 R N -2.150 118.398 120.500 0.079 0.000 2.317 341 R HA 0.128 4.470 4.340 0.003 0.000 0.208 341 R C 1.737 178.109 176.300 0.120 0.000 0.914 341 R CA -0.235 55.912 56.100 0.078 0.000 1.060 341 R CB -0.606 29.732 30.300 0.063 0.000 1.015 341 R HN 0.055 nan 8.270 nan 0.000 0.498 342 F N 2.268 122.197 119.950 -0.036 0.000 2.043 342 F HA -0.299 4.230 4.527 0.003 0.000 0.297 342 F C 2.592 178.365 175.800 -0.044 0.000 1.121 342 F CA 1.993 59.958 58.000 -0.059 0.000 1.199 342 F CB -0.775 38.166 39.000 -0.099 0.000 0.968 342 F HN 0.141 nan 8.300 nan 0.000 0.478 343 S N -0.155 115.488 115.700 -0.094 0.000 2.374 343 S HA -0.239 4.233 4.470 0.003 0.000 0.227 343 S C 2.129 176.637 174.600 -0.153 0.000 1.037 343 S CA 2.301 60.392 58.200 -0.183 0.000 1.024 343 S CB -0.787 62.384 63.200 -0.049 0.000 0.861 343 S HN 0.300 nan 8.310 nan 0.000 0.456 344 K N 0.542 120.897 120.400 -0.076 0.000 2.057 344 K HA 0.157 4.478 4.320 0.003 0.000 0.206 344 K C 2.006 178.557 176.600 -0.081 0.000 1.050 344 K CA 1.037 57.289 56.287 -0.060 0.000 0.935 344 K CB -0.862 31.625 32.500 -0.022 0.000 0.715 344 K HN 0.701 nan 8.250 nan 0.000 0.439 345 I N 0.732 121.258 120.570 -0.073 0.000 2.208 345 I HA -0.258 3.914 4.170 0.003 0.000 0.245 345 I C 2.306 178.333 176.117 -0.149 0.000 1.097 345 I CA 1.492 62.750 61.300 -0.070 0.000 1.363 345 I CB -0.445 37.575 38.000 0.035 0.000 1.051 345 I HN 0.118 nan 8.210 nan 0.000 0.413 346 L N 0.638 121.712 121.223 -0.248 0.000 2.027 346 L HA -0.199 4.143 4.340 0.003 0.000 0.206 346 L C 3.200 179.964 176.870 -0.176 0.000 1.074 346 L CA 1.829 56.510 54.840 -0.266 0.000 0.745 346 L CB -1.305 40.496 42.059 -0.430 0.000 0.898 346 L HN 0.329 nan 8.230 nan 0.000 0.433 347 E N 0.858 120.967 120.200 -0.153 0.000 2.058 347 E HA -0.265 4.087 4.350 0.003 0.000 0.194 347 E C 1.849 178.396 176.600 -0.088 0.000 0.997 347 E CA 1.913 58.251 56.400 -0.102 0.000 0.801 347 E CB -0.891 28.760 29.700 -0.080 0.000 0.746 347 E HN 0.524 nan 8.360 nan 0.000 0.450 348 N N -0.021 118.621 118.700 -0.097 0.000 2.270 348 N HA 0.026 4.768 4.740 0.003 0.000 0.181 348 N C 1.704 177.146 175.510 -0.114 0.000 1.016 348 N CA 0.876 53.870 53.050 -0.094 0.000 0.870 348 N CB -0.104 38.324 38.487 -0.099 0.000 0.979 348 N HN 0.415 nan 8.380 nan 0.000 0.431 349 L N 0.106 121.246 121.223 -0.138 0.000 2.552 349 L HA 0.125 4.467 4.340 0.003 0.000 0.227 349 L C 0.080 176.895 176.870 -0.091 0.000 1.146 349 L CA 0.137 54.895 54.840 -0.137 0.000 0.858 349 L CB -0.100 41.866 42.059 -0.155 0.000 0.969 349 L HN 0.087 nan 8.230 nan 0.000 0.451 350 R N -0.050 120.402 120.500 -0.080 0.000 3.422 350 R HA -0.152 4.190 4.340 0.003 0.000 0.267 350 R C -0.786 175.480 176.300 -0.058 0.000 1.074 350 R CA 0.395 56.461 56.100 -0.056 0.000 0.718 350 R CB -1.786 28.494 30.300 -0.032 0.000 1.157 350 R HN 0.263 nan 8.270 nan 0.000 0.440 351 L N -0.526 120.649 121.223 -0.081 0.000 2.313 351 L HA 0.541 4.883 4.340 0.003 0.000 0.268 351 L C 0.184 176.999 176.870 -0.091 0.000 1.010 351 L CA -0.862 53.931 54.840 -0.080 0.000 0.814 351 L CB 1.959 43.961 42.059 -0.094 0.000 1.304 351 L HN 0.159 nan 8.230 nan 0.000 0.441 352 Q N 1.437 121.196 119.800 -0.068 0.000 2.372 352 Q HA 0.414 4.756 4.340 0.003 0.000 0.273 352 Q C -1.607 174.377 176.000 -0.027 0.000 1.078 352 Q CA -0.885 54.885 55.803 -0.054 0.000 0.806 352 Q CB 2.935 31.657 28.738 -0.026 0.000 1.332 352 Q HN 0.621 nan 8.270 nan 0.000 0.435 353 K N 2.159 122.557 120.400 -0.004 0.000 2.118 353 K HA 0.735 5.057 4.320 0.003 0.000 0.254 353 K C -0.703 175.960 176.600 0.105 0.000 0.961 353 K CA -0.773 55.572 56.287 0.097 0.000 0.876 353 K CB 2.066 34.688 32.500 0.202 0.000 1.077 353 K HN 0.489 nan 8.250 nan 0.000 0.440 354 R N 0.291 120.842 120.500 0.084 0.000 2.781 354 R HA 0.382 4.724 4.340 0.003 0.000 0.269 354 R C -0.353 175.852 176.300 -0.159 0.000 1.025 354 R CA -1.082 55.002 56.100 -0.027 0.000 0.914 354 R CB 1.929 32.224 30.300 -0.008 0.000 1.236 354 R HN 0.897 nan 8.270 nan 0.000 0.465 355 G N -0.511 108.092 108.800 -0.328 0.000 2.616 355 G HA2 0.133 4.095 3.960 0.003 0.000 0.268 355 G HA3 0.133 4.095 3.960 0.003 0.000 0.268 355 G C 0.505 175.195 174.900 -0.350 0.000 1.213 355 G CA -0.336 44.503 45.100 -0.435 0.000 0.926 355 G HN 0.513 nan 8.290 nan 0.000 0.523 356 T N -0.014 114.290 114.554 -0.417 0.000 2.995 356 T HA 0.010 4.362 4.350 0.003 0.000 0.269 356 T C 2.021 176.563 174.700 -0.262 0.000 1.091 356 T CA 1.201 62.977 62.100 -0.539 0.000 1.128 356 T CB 0.082 68.665 68.868 -0.475 0.000 0.891 356 T HN 0.599 nan 8.240 nan 0.000 0.492 357 G N 0.225 108.956 108.800 -0.114 0.000 3.371 357 G HA2 0.523 4.485 3.960 0.003 0.000 0.248 357 G HA3 0.523 4.485 3.960 0.003 0.000 0.248 357 G C 0.647 175.567 174.900 0.034 0.000 1.161 357 G CA 0.059 45.182 45.100 0.039 0.000 0.796 357 G HN 0.784 nan 8.290 nan 0.000 0.539 358 G N -1.012 107.780 108.800 -0.013 0.000 2.466 358 G HA2 -0.083 3.879 3.960 0.003 0.000 0.316 358 G HA3 -0.083 3.879 3.960 0.003 0.000 0.316 358 G C 0.816 175.708 174.900 -0.013 0.000 1.270 358 G CA 0.023 45.142 45.100 0.032 0.000 0.982 358 G HN 0.780 nan 8.290 nan 0.000 0.506 359 V N 0.329 120.278 119.914 0.059 0.000 2.392 359 V HA -0.064 4.058 4.120 0.003 0.000 0.249 359 V C 1.908 178.146 176.094 0.240 0.000 1.059 359 V CA 3.176 65.535 62.300 0.099 0.000 1.051 359 V CB -0.408 31.462 31.823 0.079 0.000 0.658 359 V HN 0.653 nan 8.190 nan 0.000 0.455 360 D N 0.165 120.698 120.400 0.223 0.000 2.328 360 D HA 0.102 4.744 4.640 0.003 0.000 0.221 360 D C 0.906 177.319 176.300 0.188 0.000 1.072 360 D CA 0.829 55.037 54.000 0.348 0.000 0.850 360 D CB 0.222 41.181 40.800 0.266 0.000 0.922 360 D HN 0.709 nan 8.370 nan 0.000 0.516 361 T N -2.480 111.960 114.554 -0.190 0.000 2.940 361 T HA 0.718 5.070 4.350 0.003 0.000 0.288 361 T C -0.078 174.030 174.700 -0.988 0.000 1.045 361 T CA -0.914 60.986 62.100 -0.332 0.000 1.018 361 T CB 2.593 71.358 68.868 -0.172 0.000 1.151 361 T HN -0.064 nan 8.240 nan 0.000 0.529 362 A N 0.705 123.167 122.820 -0.596 0.000 2.264 362 A HA 0.822 5.144 4.320 0.003 0.000 0.304 362 A C 0.680 178.000 177.584 -0.441 0.000 1.100 362 A CA -0.576 51.137 52.037 -0.540 0.000 0.839 362 A CB -0.118 18.831 19.000 -0.085 0.000 1.121 362 A HN 1.532 nan 8.150 nan 0.000 0.496 363 A N 0.358 122.870 122.820 -0.513 0.000 2.492 363 A HA 0.493 4.815 4.320 0.003 0.000 0.254 363 A C -0.129 177.226 177.584 -0.381 0.000 1.091 363 A CA 0.018 51.660 52.037 -0.659 0.000 0.768 363 A CB -0.375 17.779 19.000 -1.411 0.000 1.028 363 A HN 0.989 nan 8.150 nan 0.000 0.498 364 V N 2.420 122.150 119.914 -0.307 0.000 2.459 364 V HA 0.562 4.684 4.120 0.003 0.000 0.295 364 V C 0.961 176.970 176.094 -0.142 0.000 1.029 364 V CA 0.518 62.713 62.300 -0.176 0.000 0.874 364 V CB 0.912 32.658 31.823 -0.128 0.000 0.985 364 V HN 2.150 nan 8.190 nan 0.000 0.438 365 A N 3.444 126.213 122.820 -0.085 0.000 2.826 365 A HA -0.090 4.232 4.320 0.003 0.000 0.274 365 A C 1.171 178.738 177.584 -0.027 0.000 1.443 365 A CA 2.013 54.024 52.037 -0.044 0.000 0.833 365 A CB -2.241 16.740 19.000 -0.032 0.000 1.023 365 A HN 2.447 nan 8.150 nan 0.000 0.600 366 D N -4.198 116.178 120.400 -0.040 0.000 3.076 366 D HA 0.020 4.662 4.640 0.003 0.000 0.218 366 D C 0.625 176.985 176.300 0.101 0.000 1.156 366 D CA 1.543 55.586 54.000 0.072 0.000 0.921 366 D CB -2.431 38.432 40.800 0.106 0.000 1.113 366 D HN 1.948 nan 8.370 nan 0.000 0.418 367 V N 0.639 120.499 119.914 -0.090 0.000 2.372 367 V HA 0.513 4.635 4.120 0.003 0.000 0.261 367 V C -0.090 175.853 176.094 -0.252 0.000 1.055 367 V CA -0.494 61.747 62.300 -0.099 0.000 0.930 367 V CB 0.165 31.881 31.823 -0.179 0.000 1.031 367 V HN 0.437 nan 8.190 nan 0.000 0.479 368 Y N 2.354 122.589 120.300 -0.108 0.000 2.328 368 Y HA 0.327 4.879 4.550 0.003 0.000 0.337 368 Y C 0.562 176.430 175.900 -0.054 0.000 1.008 368 Y CA -1.267 56.791 58.100 -0.069 0.000 1.129 368 Y CB 1.006 39.499 38.460 0.055 0.000 1.185 368 Y HN 0.614 nan 8.280 nan 0.000 0.476 369 D N 4.399 124.810 120.400 0.018 0.000 2.342 369 D HA 0.092 4.734 4.640 0.003 0.000 0.260 369 D C -0.736 175.628 176.300 0.106 0.000 1.278 369 D CA 0.254 54.314 54.000 0.101 0.000 0.910 369 D CB 0.141 40.981 40.800 0.066 0.000 1.079 369 D HN 0.252 nan 8.370 nan 0.000 0.496 370 I N 3.055 123.677 120.570 0.085 0.000 2.404 370 I HA 0.358 4.530 4.170 0.003 0.000 0.293 370 I C 0.251 176.366 176.117 -0.004 0.000 0.992 370 I CA -0.579 60.744 61.300 0.039 0.000 1.149 370 I CB 1.005 39.017 38.000 0.021 0.000 1.315 370 I HN 0.487 nan 8.210 nan 0.000 0.446 371 S N 4.886 120.578 115.700 -0.014 0.000 2.588 371 S HA 0.422 4.894 4.470 0.003 0.000 0.269 371 S C -0.944 173.638 174.600 -0.029 0.000 1.157 371 S CA -1.109 57.078 58.200 -0.022 0.000 0.824 371 S CB 2.005 65.198 63.200 -0.011 0.000 1.126 371 S HN 0.646 nan 8.310 nan 0.000 0.464 372 N N 0.842 119.523 118.700 -0.031 0.000 2.492 372 N HA 0.104 4.846 4.740 0.003 0.000 0.262 372 N C 0.504 176.004 175.510 -0.016 0.000 1.202 372 N CA -0.408 52.625 53.050 -0.027 0.000 0.926 372 N CB 1.069 39.539 38.487 -0.029 0.000 1.078 372 N HN 0.755 nan 8.380 nan 0.000 0.454 373 I N 0.144 120.703 120.570 -0.018 0.000 2.731 373 I HA -0.024 4.148 4.170 0.003 0.000 0.260 373 I C -0.161 175.954 176.117 -0.004 0.000 1.138 373 I CA 0.388 61.673 61.300 -0.023 0.000 1.461 373 I CB 0.150 38.124 38.000 -0.044 0.000 1.128 373 I HN 0.474 nan 8.210 nan 0.000 0.438 374 D N 0.768 121.190 120.400 0.037 0.000 2.283 374 D HA 0.275 4.917 4.640 0.003 0.000 0.248 374 D C 0.506 176.900 176.300 0.157 0.000 1.072 374 D CA -0.103 53.988 54.000 0.151 0.000 0.929 374 D CB 1.237 42.119 40.800 0.135 0.000 1.182 374 D HN 0.200 nan 8.370 nan 0.000 0.433 375 R N 0.336 120.973 120.500 0.228 0.000 2.582 375 R HA 0.349 4.690 4.340 0.003 0.000 0.285 375 R C 0.071 176.272 176.300 -0.164 0.000 0.940 375 R CA -0.223 55.902 56.100 0.042 0.000 1.072 375 R CB 1.224 31.572 30.300 0.081 0.000 1.527 375 R HN 0.335 nan 8.270 nan 0.000 0.538 376 I N -0.280 120.083 120.570 -0.345 0.000 2.608 376 I HA 0.439 4.611 4.170 0.003 0.000 0.295 376 I C 0.374 176.210 176.117 -0.467 0.000 1.049 376 I CA 0.179 61.102 61.300 -0.629 0.000 1.063 376 I CB 2.037 39.375 38.000 -1.104 0.000 1.248 376 I HN 0.339 nan 8.210 nan 0.000 0.424 377 G N 5.626 114.266 108.800 -0.267 0.000 2.234 377 G HA2 -0.198 3.764 3.960 0.003 0.000 0.235 377 G HA3 -0.198 3.764 3.960 0.003 0.000 0.235 377 G C 0.220 175.165 174.900 0.075 0.000 0.997 377 G CA -0.286 44.820 45.100 0.011 0.000 0.623 377 G HN 0.554 nan 8.290 nan 0.000 0.514 378 R N 0.833 121.372 120.500 0.065 0.000 2.599 378 R HA 0.615 4.957 4.340 0.003 0.000 0.295 378 R C 0.518 176.855 176.300 0.063 0.000 0.963 378 R CA 0.099 56.225 56.100 0.043 0.000 0.883 378 R CB 1.830 32.157 30.300 0.045 0.000 1.171 378 R HN 0.473 nan 8.270 nan 0.000 0.450 379 S N 0.936 116.632 115.700 -0.006 0.000 2.608 379 S HA 0.043 4.515 4.470 0.003 0.000 0.261 379 S C 0.820 175.478 174.600 0.097 0.000 1.314 379 S CA -0.409 57.802 58.200 0.019 0.000 0.992 379 S CB 1.056 64.255 63.200 -0.002 0.000 0.935 379 S HN 0.587 nan 8.310 nan 0.000 0.564 380 E N 0.559 120.864 120.200 0.175 0.000 2.110 380 E HA -0.063 4.289 4.350 0.003 0.000 0.193 380 E C 1.944 178.582 176.600 0.064 0.000 0.988 380 E CA 1.222 57.743 56.400 0.201 0.000 0.804 380 E CB -0.616 29.344 29.700 0.433 0.000 0.745 380 E HN 0.479 nan 8.360 nan 0.000 0.458 381 V N 1.095 121.102 119.914 0.155 0.000 2.261 381 V HA -0.282 3.840 4.120 0.003 0.000 0.246 381 V C 1.986 178.042 176.094 -0.063 0.000 1.047 381 V CA 2.066 64.403 62.300 0.062 0.000 1.015 381 V CB -0.463 31.458 31.823 0.165 0.000 0.642 381 V HN 0.278 nan 8.190 nan 0.000 0.446 382 E N -0.128 120.065 120.200 -0.011 0.000 2.118 382 E HA -0.216 4.136 4.350 0.003 0.000 0.195 382 E C 2.201 178.773 176.600 -0.047 0.000 0.992 382 E CA 1.309 57.697 56.400 -0.020 0.000 0.804 382 E CB -0.194 29.508 29.700 0.003 0.000 0.741 382 E HN 0.511 nan 8.360 nan 0.000 0.458 383 L N 0.216 121.402 121.223 -0.061 0.000 2.072 383 L HA -0.136 4.206 4.340 0.003 0.000 0.205 383 L C 2.429 179.218 176.870 -0.135 0.000 1.079 383 L CA 0.549 55.346 54.840 -0.072 0.000 0.752 383 L CB -0.236 41.794 42.059 -0.048 0.000 0.906 383 L HN 0.038 nan 8.230 nan 0.000 0.436 384 V N -0.481 119.272 119.914 -0.267 0.000 2.407 384 V HA -0.291 3.831 4.120 0.003 0.000 0.248 384 V C 2.441 178.425 176.094 -0.183 0.000 1.055 384 V CA 1.645 63.738 62.300 -0.344 0.000 1.049 384 V CB -0.438 30.906 31.823 -0.799 0.000 0.662 384 V HN 0.420 nan 8.190 nan 0.000 0.455 385 Q N 0.152 119.865 119.800 -0.146 0.000 2.050 385 Q HA -0.173 4.169 4.340 0.003 0.000 0.202 385 Q C 2.094 178.080 176.000 -0.023 0.000 0.980 385 Q CA 1.939 57.703 55.803 -0.064 0.000 0.840 385 Q CB -0.443 28.271 28.738 -0.040 0.000 0.898 385 Q HN 0.481 nan 8.270 nan 0.000 0.424 386 I N -0.170 120.380 120.570 -0.032 0.000 2.185 386 I HA -0.271 3.901 4.170 0.003 0.000 0.246 386 I C 2.256 178.372 176.117 -0.002 0.000 1.088 386 I CA 1.475 62.764 61.300 -0.019 0.000 1.347 386 I CB -1.027 36.957 38.000 -0.028 0.000 1.041 386 I HN 0.237 nan 8.210 nan 0.000 0.415 387 V N 0.735 120.649 119.914 0.000 0.000 2.591 387 V HA -0.166 3.956 4.120 0.003 0.000 0.249 387 V C 2.271 178.462 176.094 0.162 0.000 1.053 387 V CA 1.184 63.507 62.300 0.038 0.000 1.068 387 V CB 0.057 31.891 31.823 0.018 0.000 0.689 387 V HN 0.221 nan 8.190 nan 0.000 0.462 388 I N 0.391 121.076 120.570 0.191 0.000 2.142 388 I HA -0.179 3.993 4.170 0.003 0.000 0.240 388 I C 2.308 178.605 176.117 0.300 0.000 1.078 388 I CA 2.009 63.507 61.300 0.331 0.000 1.343 388 I CB -0.484 37.553 38.000 0.062 0.000 1.046 388 I HN 0.330 nan 8.210 nan 0.000 0.405 389 D N 0.890 121.378 120.400 0.146 0.000 2.097 389 D HA -0.125 4.517 4.640 0.003 0.000 0.197 389 D C 2.163 178.539 176.300 0.127 0.000 0.984 389 D CA 1.570 55.643 54.000 0.122 0.000 0.826 389 D CB -0.751 40.086 40.800 0.061 0.000 0.973 389 D HN 0.386 nan 8.370 nan 0.000 0.460 390 G N 0.925 109.767 108.800 0.070 0.000 2.459 390 G HA2 -0.244 3.718 3.960 0.003 0.000 0.217 390 G HA3 -0.244 3.718 3.960 0.003 0.000 0.217 390 G C 1.858 176.794 174.900 0.059 0.000 1.183 390 G CA 1.025 46.145 45.100 0.032 0.000 0.776 390 G HN 0.254 nan 8.290 nan 0.000 0.552 391 V N 1.330 121.247 119.914 0.006 0.000 2.515 391 V HA -0.165 3.956 4.120 0.003 0.000 0.250 391 V C 2.679 178.742 176.094 -0.051 0.000 1.058 391 V CA 1.711 63.918 62.300 -0.155 0.000 1.064 391 V CB -0.460 30.989 31.823 -0.623 0.000 0.675 391 V HN 0.305 nan 8.190 nan 0.000 0.461 392 N N -0.365 118.429 118.700 0.156 0.000 2.084 392 N HA -0.212 4.530 4.740 0.003 0.000 0.190 392 N C 1.789 177.369 175.510 0.116 0.000 1.030 392 N CA 1.869 55.035 53.050 0.194 0.000 0.849 392 N CB -0.500 38.128 38.487 0.236 0.000 1.012 392 N HN 0.610 nan 8.380 nan 0.000 0.423 393 Y N 1.544 121.855 120.300 0.018 0.000 2.181 393 Y HA -0.186 4.366 4.550 0.003 0.000 0.288 393 Y C 2.587 178.467 175.900 -0.033 0.000 1.146 393 Y CA 1.917 60.014 58.100 -0.005 0.000 1.164 393 Y CB -0.629 37.828 38.460 -0.004 0.000 0.982 393 Y HN 0.025 nan 8.280 nan 0.000 0.515 394 L N -1.331 119.990 121.223 0.165 0.000 2.141 394 L HA -0.065 4.277 4.340 0.003 0.000 0.209 394 L C 2.490 179.301 176.870 -0.100 0.000 1.094 394 L CA 2.067 56.943 54.840 0.061 0.000 0.763 394 L CB -1.658 40.441 42.059 0.067 0.000 0.908 394 L HN 0.299 nan 8.230 nan 0.000 0.437 395 V N -0.161 119.675 119.914 -0.130 0.000 2.453 395 V HA -0.286 3.836 4.120 0.003 0.000 0.247 395 V C 2.560 178.475 176.094 -0.298 0.000 1.048 395 V CA 2.084 64.228 62.300 -0.260 0.000 1.049 395 V CB -0.203 31.543 31.823 -0.129 0.000 0.672 395 V HN 0.856 nan 8.190 nan 0.000 0.457 396 D N -1.213 119.068 120.400 -0.197 0.000 2.092 396 D HA -0.237 4.405 4.640 0.003 0.000 0.193 396 D C 2.201 178.356 176.300 -0.241 0.000 0.994 396 D CA 1.941 55.816 54.000 -0.207 0.000 0.828 396 D CB -0.537 40.119 40.800 -0.240 0.000 0.963 396 D HN 0.640 nan 8.370 nan 0.000 0.450 397 C N 0.331 119.466 119.300 -0.275 0.000 2.385 397 C HA -0.094 4.368 4.460 0.003 0.000 0.275 397 C C 2.641 177.517 174.990 -0.190 0.000 1.207 397 C CA 1.429 60.319 59.018 -0.213 0.000 1.760 397 C CB -1.560 26.091 27.740 -0.149 0.000 2.051 397 C HN 0.585 nan 8.230 nan 0.000 0.467 398 E N 1.038 121.088 120.200 -0.250 0.000 2.160 398 E HA -0.164 4.188 4.350 0.003 0.000 0.195 398 E C 2.045 178.500 176.600 -0.241 0.000 0.991 398 E CA 1.480 57.709 56.400 -0.286 0.000 0.810 398 E CB -0.205 29.218 29.700 -0.461 0.000 0.742 398 E HN 0.568 nan 8.360 nan 0.000 0.466 399 K N -0.018 120.228 120.400 -0.255 0.000 2.062 399 K HA -0.066 4.256 4.320 0.003 0.000 0.205 399 K C 2.121 178.687 176.600 -0.056 0.000 1.051 399 K CA 1.073 57.307 56.287 -0.087 0.000 0.941 399 K CB -0.036 32.433 32.500 -0.051 0.000 0.719 399 K HN -0.039 nan 8.250 nan 0.000 0.440 400 K N 1.200 121.546 120.400 -0.089 0.000 1.991 400 K HA -0.098 4.224 4.320 0.003 0.000 0.212 400 K C 1.514 178.081 176.600 -0.054 0.000 1.049 400 K CA 1.047 57.291 56.287 -0.071 0.000 0.932 400 K CB -0.704 31.740 32.500 -0.094 0.000 0.717 400 K HN 0.114 nan 8.250 nan 0.000 0.441 401 L N 0.000 121.184 121.223 -0.065 0.000 2.949 401 L HA 0.000 4.342 4.340 0.003 0.000 0.249 401 L CA 0.000 54.810 54.840 -0.051 0.000 0.813 401 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 401 L HN 0.000 nan 8.230 nan 0.000 0.502