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 3c8h_1_D DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EXFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTDXXXXXXP QSXQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAP DATA SEQUENCE SPDRLELREG WRKLLPQAIA DPLNPQSWKG GLGHAVSALE XPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TGDVXXXERP LAVLLDGEFW DATA SEQUENCE AQSXPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PXIXRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLX QGLIDLWQPL FH 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.418 176.094 -1.126 0.000 1.182 6 V CA 0.000 61.090 62.300 -2.016 0.000 1.235 6 V CB 0.000 31.060 31.823 -1.272 0.000 1.184 7 G N 4.154 112.294 108.800 -1.100 0.000 2.399 7 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 7 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 7 G C 0.514 175.459 174.900 0.075 0.000 1.096 7 G CA 0.464 45.412 45.100 -0.254 0.000 0.650 7 G HN 2.029 nan 8.290 nan 0.000 0.512 8 S N 1.263 116.947 115.700 -0.027 0.000 2.575 8 S HA 0.328 4.798 4.470 0.000 0.000 0.295 8 S C 1.079 175.823 174.600 0.241 0.000 1.267 8 S CA 1.049 59.307 58.200 0.096 0.000 1.074 8 S CB 1.691 64.918 63.200 0.046 0.000 0.829 8 S HN 0.806 nan 8.310 nan 0.000 0.497 9 E N 3.372 123.695 120.200 0.206 0.000 2.284 9 E HA -0.203 4.147 4.350 0.000 0.000 0.200 9 E C 1.756 178.470 176.600 0.191 0.000 1.008 9 E CA 1.934 58.465 56.400 0.218 0.000 0.829 9 E CB -0.548 29.224 29.700 0.120 0.000 0.744 9 E HN 0.849 nan 8.360 nan 0.000 0.491 10 S N -1.096 114.694 115.700 0.149 0.000 2.377 10 S HA -0.128 4.343 4.470 0.000 0.000 0.223 10 S C 1.900 176.558 174.600 0.095 0.000 1.030 10 S CA 0.616 58.876 58.200 0.100 0.000 0.970 10 S CB -1.163 62.080 63.200 0.071 0.000 0.830 10 S HN 0.564 nan 8.310 nan 0.000 0.473 11 W N 1.472 122.719 121.300 -0.089 0.000 2.321 11 W HA -0.103 4.557 4.660 0.000 0.000 0.306 11 W C 1.609 177.967 176.519 -0.269 0.000 1.217 11 W CA 1.272 58.484 57.345 -0.222 0.000 1.257 11 W CB -0.568 28.698 29.460 -0.322 0.000 1.145 11 W HN 0.326 nan 8.180 nan 0.000 0.509 12 W N 0.199 121.527 121.300 0.045 0.000 2.595 12 W HA -0.086 4.575 4.660 0.000 0.000 0.257 12 W C 2.427 178.775 176.519 -0.286 0.000 1.267 12 W CA 1.076 58.327 57.345 -0.156 0.000 1.300 12 W CB -0.462 29.028 29.460 0.050 0.000 1.120 12 W HN -0.035 nan 8.180 nan 0.000 0.618 13 Q N -0.237 119.548 119.800 -0.025 0.000 2.172 13 Q HA -0.147 4.193 4.340 0.000 0.000 0.200 13 Q C 2.279 178.140 176.000 -0.233 0.000 0.964 13 Q CA 1.924 57.679 55.803 -0.079 0.000 0.855 13 Q CB -0.180 28.551 28.738 -0.012 0.000 0.918 13 Q HN 0.172 nan 8.270 nan 0.000 0.444 14 S N -0.264 115.242 115.700 -0.324 0.000 2.515 14 S HA 0.034 4.505 4.470 0.000 0.000 0.231 14 S C 0.416 174.690 174.600 -0.543 0.000 0.987 14 S CA 0.228 58.222 58.200 -0.343 0.000 0.936 14 S CB 0.119 63.094 63.200 -0.376 0.000 0.766 14 S HN -0.005 nan 8.310 nan 0.000 0.528 15 K N 2.661 122.658 120.400 -0.671 0.000 2.276 15 K HA 0.259 4.579 4.320 0.000 0.000 0.283 15 K C -0.428 175.798 176.600 -0.623 0.000 1.044 15 K CA -0.001 55.955 56.287 -0.552 0.000 0.944 15 K CB 0.271 32.566 32.500 -0.343 0.000 1.012 15 K HN 0.386 nan 8.250 nan 0.000 0.472 16 H N 1.082 120.190 119.070 0.062 0.000 2.597 16 H HA 0.223 4.780 4.556 0.000 0.000 0.225 16 H C 0.790 176.247 175.328 0.214 0.000 1.422 16 H CA 0.051 56.173 56.048 0.124 0.000 1.335 16 H CB 0.606 30.408 29.762 0.067 0.000 1.783 16 H HN 0.936 nan 8.280 nan 0.000 0.513 17 G N 1.881 110.908 108.800 0.377 0.000 2.660 17 G HA2 -0.223 3.737 3.960 0.000 0.000 0.215 17 G HA3 -0.223 3.737 3.960 0.000 0.000 0.215 17 G C -2.675 172.509 174.900 0.473 0.000 1.345 17 G CA -1.154 44.217 45.100 0.453 0.000 0.877 17 G HN 0.250 nan 8.290 nan 0.000 0.549 18 P HA 0.423 nan 4.420 nan 0.000 0.272 18 P C -0.263 177.225 177.300 0.312 0.000 1.254 18 P CA 0.143 63.363 63.100 0.200 0.000 0.795 18 P CB 0.515 32.106 31.700 -0.183 0.000 1.022 19 E N -0.498 119.823 120.200 0.200 0.000 2.290 19 E HA 0.427 4.777 4.350 0.000 0.000 0.274 19 E C -1.549 175.115 176.600 0.107 0.000 0.889 19 E CA -0.690 55.714 56.400 0.007 0.000 0.760 19 E CB 1.005 30.816 29.700 0.184 0.000 1.206 19 E HN 0.423 nan 8.360 nan 0.000 0.419 20 W N 2.486 123.809 121.300 0.039 0.000 2.864 20 W HA 0.661 5.321 4.660 0.000 0.000 0.343 20 W C -0.933 175.697 176.519 0.184 0.000 1.109 20 W CA -0.980 56.418 57.345 0.089 0.000 1.192 20 W CB 0.897 30.414 29.460 0.096 0.000 1.426 20 W HN 0.311 nan 8.180 nan 0.000 0.529 21 Q N 2.232 122.259 119.800 0.379 0.000 2.285 21 Q HA 0.385 4.726 4.340 0.000 0.000 0.269 21 Q C -0.836 175.185 176.000 0.034 0.000 1.030 21 Q CA -0.826 55.083 55.803 0.178 0.000 0.788 21 Q CB 2.035 30.800 28.738 0.044 0.000 1.266 21 Q HN 0.607 nan 8.270 nan 0.000 0.438 22 R N 3.478 123.798 120.500 -0.299 0.000 2.570 22 R HA 0.167 4.508 4.340 0.000 0.000 0.277 22 R C -0.353 175.679 176.300 -0.446 0.000 1.039 22 R CA 0.400 55.912 56.100 -0.980 0.000 1.065 22 R CB 0.320 30.122 30.300 -0.830 0.000 0.964 22 R HN 0.943 nan 8.270 nan 0.000 0.428 23 L N 2.911 123.889 121.223 -0.408 0.000 2.453 23 L HA 0.212 4.552 4.340 0.000 0.000 0.190 23 L C 0.674 177.445 176.870 -0.166 0.000 1.093 23 L CA 0.267 54.988 54.840 -0.199 0.000 0.834 23 L CB -0.047 41.936 42.059 -0.127 0.000 1.090 23 L HN 0.782 nan 8.230 nan 0.000 0.489 24 N N -2.503 116.096 118.700 -0.168 0.000 3.479 24 N HA 0.070 4.811 4.740 0.000 0.000 0.336 24 N C -0.064 175.390 175.510 -0.093 0.000 1.623 24 N CA -0.662 52.326 53.050 -0.104 0.000 0.759 24 N CB 0.919 39.371 38.487 -0.058 0.000 2.016 24 N HN -0.178 nan 8.380 nan 0.000 0.637 25 D N 0.287 120.666 120.400 -0.036 0.000 2.097 25 D HA -0.072 4.568 4.640 0.000 0.000 0.195 25 D C -0.134 176.188 176.300 0.036 0.000 0.989 25 D CA 1.651 55.651 54.000 0.001 0.000 0.827 25 D CB 0.307 41.114 40.800 0.011 0.000 0.966 25 D HN 0.445 nan 8.370 nan 0.000 0.456 29 E N 2.343 122.646 120.200 0.171 0.000 2.115 29 E HA 0.640 4.991 4.350 0.000 0.000 0.282 29 E C -1.832 174.819 176.600 0.085 0.000 0.987 29 E CA -0.369 56.063 56.400 0.054 0.000 0.797 29 E CB 1.328 31.029 29.700 0.002 0.000 1.086 29 E HN 0.432 nan 8.360 nan 0.000 0.397 30 V N 4.233 124.124 119.914 -0.038 0.000 2.417 30 V HA 0.335 4.456 4.120 0.000 0.000 0.291 30 V C -0.147 175.777 176.094 -0.283 0.000 1.024 30 V CA -0.675 61.556 62.300 -0.116 0.000 0.861 30 V CB 1.875 33.574 31.823 -0.208 0.000 0.985 30 V HN 0.728 nan 8.190 nan 0.000 0.436 31 T N 5.469 119.801 114.554 -0.369 0.000 2.792 31 T HA 0.676 5.026 4.350 0.000 0.000 0.280 31 T C -0.676 173.585 174.700 -0.731 0.000 0.990 31 T CA -0.120 61.656 62.100 -0.541 0.000 0.960 31 T CB 0.688 69.144 68.868 -0.687 0.000 0.939 31 T HN 0.276 nan 8.240 nan 0.000 0.439 32 F N 1.675 121.361 119.950 -0.441 0.000 2.432 32 F HA 0.658 5.185 4.527 0.000 0.000 0.329 32 F C -0.034 175.593 175.800 -0.287 0.000 1.076 32 F CA -0.965 56.951 58.000 -0.140 0.000 1.018 32 F CB 1.304 40.386 39.000 0.137 0.000 1.201 32 F HN 0.355 nan 8.300 nan 0.000 0.489 33 W N 1.389 123.034 121.300 0.574 0.000 3.022 33 W HA 0.286 4.946 4.660 0.000 0.000 0.335 33 W C -1.677 175.271 176.519 0.715 0.000 1.133 33 W CA -1.355 56.356 57.345 0.611 0.000 1.219 33 W CB 2.016 31.829 29.460 0.590 0.000 1.409 33 W HN 0.561 nan 8.180 nan 0.000 0.507 34 W N 4.009 125.766 121.300 0.762 0.000 2.998 34 W HA 0.499 5.159 4.660 0.000 0.000 0.335 34 W C -1.002 175.785 176.519 0.447 0.000 1.110 34 W CA -1.090 56.533 57.345 0.464 0.000 1.230 34 W CB 1.312 30.848 29.460 0.125 0.000 1.405 34 W HN 0.172 nan 8.180 nan 0.000 0.493 35 R N 4.753 124.673 120.500 -0.966 0.000 2.239 35 R HA 0.129 4.470 4.340 0.000 0.000 0.332 35 R C -0.530 174.877 176.300 -1.489 0.000 0.988 35 R CA -0.500 54.883 56.100 -1.196 0.000 0.859 35 R CB 0.614 29.792 30.300 -1.871 0.000 1.148 35 R HN 0.514 nan 8.270 nan 0.000 0.482 36 D N 5.161 124.884 120.400 -1.129 0.000 2.493 36 D HA -0.006 4.634 4.640 0.000 0.000 0.240 36 D C -1.656 174.380 176.300 -0.441 0.000 1.142 36 D CA -1.486 51.949 54.000 -0.941 0.000 0.872 36 D CB 1.537 42.343 40.800 0.010 0.000 1.173 36 D HN 0.331 nan 8.370 nan 0.000 0.467 37 P HA 0.029 nan 4.420 nan 0.000 0.245 37 P C -0.023 177.266 177.300 -0.018 0.000 1.212 37 P CA 0.668 63.706 63.100 -0.103 0.000 0.774 37 P CB 0.313 32.015 31.700 0.003 0.000 0.999 38 Q N -1.223 118.596 119.800 0.032 0.000 2.135 38 Q HA 0.376 4.717 4.340 0.000 0.000 0.222 38 Q C 1.009 177.083 176.000 0.124 0.000 0.808 38 Q CA 0.105 55.962 55.803 0.090 0.000 1.049 38 Q CB 0.701 29.525 28.738 0.143 0.000 1.168 38 Q HN 0.111 nan 8.270 nan 0.000 0.483 39 G N 1.378 110.221 108.800 0.072 0.000 2.531 39 G HA2 -0.356 3.605 3.960 0.000 0.000 0.274 39 G HA3 -0.356 3.605 3.960 0.000 0.000 0.274 39 G C 0.146 175.123 174.900 0.128 0.000 1.159 39 G CA -0.044 45.113 45.100 0.095 0.000 0.969 39 G HN 0.588 nan 8.290 nan 0.000 0.554 40 S N 0.775 116.565 115.700 0.150 0.000 2.681 40 S HA 0.504 4.974 4.470 0.000 0.000 0.270 40 S C 1.543 176.186 174.600 0.073 0.000 1.209 40 S CA 0.868 59.117 58.200 0.081 0.000 0.988 40 S CB 1.498 64.725 63.200 0.046 0.000 1.006 40 S HN 1.345 nan 8.310 nan 0.000 0.558 41 E N 0.509 120.712 120.200 0.006 0.000 2.331 41 E HA -0.231 4.119 4.350 0.000 0.000 0.199 41 E C 1.235 177.800 176.600 -0.058 0.000 1.008 41 E CA 1.313 57.717 56.400 0.005 0.000 0.843 41 E CB -0.640 29.041 29.700 -0.031 0.000 0.761 41 E HN 0.857 nan 8.360 nan 0.000 0.507 42 E N -0.061 120.040 120.200 -0.166 0.000 2.077 42 E HA -0.161 4.190 4.350 0.000 0.000 0.193 42 E C 1.136 177.438 176.600 -0.497 0.000 0.989 42 E CA 1.548 57.686 56.400 -0.436 0.000 0.800 42 E CB -0.196 29.044 29.700 -0.767 0.000 0.746 42 E HN 0.433 nan 8.360 nan 0.000 0.452 43 Y N -0.561 119.762 120.300 0.038 0.000 2.430 43 Y HA 0.240 4.791 4.550 0.000 0.000 0.248 43 Y C 0.903 176.839 175.900 0.060 0.000 1.108 43 Y CA -0.252 57.872 58.100 0.041 0.000 1.264 43 Y CB 0.798 39.276 38.460 0.031 0.000 1.172 43 Y HN -0.181 nan 8.280 nan 0.000 0.520 44 S N 0.516 116.332 115.700 0.193 0.000 2.525 44 S HA 0.140 4.610 4.470 0.000 0.000 0.278 44 S C 1.253 175.948 174.600 0.158 0.000 1.234 44 S CA -0.138 58.178 58.200 0.193 0.000 1.058 44 S CB 0.706 64.057 63.200 0.250 0.000 0.983 44 S HN 0.425 nan 8.310 nan 0.000 0.495 45 T N 2.713 117.352 114.554 0.142 0.000 3.118 45 T HA 0.204 4.554 4.350 0.000 0.000 0.260 45 T C 0.761 175.528 174.700 0.113 0.000 1.139 45 T CA 0.097 62.261 62.100 0.106 0.000 1.085 45 T CB -0.341 68.574 68.868 0.079 0.000 0.934 45 T HN 0.532 nan 8.240 nan 0.000 0.518 46 I N 2.201 122.873 120.570 0.170 0.000 2.379 46 I HA 0.302 4.472 4.170 0.000 0.000 0.290 46 I C 0.859 177.116 176.117 0.234 0.000 1.063 46 I CA -0.117 61.272 61.300 0.148 0.000 1.351 46 I CB 1.412 39.512 38.000 0.167 0.000 1.410 46 I HN 0.066 nan 8.210 nan 0.000 0.505 47 K N 4.847 125.308 120.400 0.102 0.000 2.214 47 K HA 0.202 4.522 4.320 0.000 0.000 0.201 47 K C 0.419 177.046 176.600 0.045 0.000 1.049 47 K CA 0.730 57.105 56.287 0.147 0.000 0.978 47 K CB 0.398 32.947 32.500 0.082 0.000 0.842 47 K HN 0.350 nan 8.250 nan 0.000 0.474 48 R N 0.099 120.458 120.500 -0.235 0.000 2.803 48 R HA 0.502 4.842 4.340 0.000 0.000 0.276 48 R C -1.107 174.653 176.300 -0.900 0.000 0.978 48 R CA -0.839 54.907 56.100 -0.589 0.000 0.939 48 R CB 2.041 32.020 30.300 -0.535 0.000 1.179 48 R HN -0.251 nan 8.270 nan 0.000 0.472 49 V N 2.188 121.451 119.914 -1.085 0.000 2.439 49 V HA 0.278 4.399 4.120 0.000 0.000 0.277 49 V C -1.010 174.663 176.094 -0.702 0.000 1.008 49 V CA -1.043 60.703 62.300 -0.923 0.000 0.846 49 V CB 0.811 31.956 31.823 -1.130 0.000 1.031 49 V HN 0.604 nan 8.190 nan 0.000 0.441 50 W N 3.015 124.174 121.300 -0.235 0.000 2.287 50 W HA 0.557 5.217 4.660 0.000 0.000 0.313 50 W C 0.044 176.509 176.519 -0.090 0.000 1.267 50 W CA -0.632 56.649 57.345 -0.107 0.000 1.201 50 W CB 1.098 30.650 29.460 0.153 0.000 1.196 50 W HN 0.305 nan 8.180 nan 0.000 0.536 51 V N 4.728 124.607 119.914 -0.058 0.000 2.348 51 V HA 0.067 4.187 4.120 0.000 0.000 0.270 51 V C -0.864 175.198 176.094 -0.054 0.000 1.037 51 V CA -0.935 61.297 62.300 -0.114 0.000 0.872 51 V CB -0.195 31.279 31.823 -0.583 0.000 1.002 51 V HN 0.370 nan 8.190 nan 0.000 0.464 52 Y N 6.369 126.607 120.300 -0.103 0.000 2.417 52 Y HA 0.636 5.187 4.550 0.000 0.000 0.336 52 Y C -0.166 175.633 175.900 -0.169 0.000 0.961 52 Y CA -0.725 57.198 58.100 -0.295 0.000 1.215 52 Y CB 0.928 39.124 38.460 -0.439 0.000 1.120 52 Y HN 0.553 nan 8.280 nan 0.000 0.499 53 I N 5.428 125.734 120.570 -0.441 0.000 2.389 53 I HA 0.221 4.391 4.170 0.000 0.000 0.288 53 I C -0.012 175.940 176.117 -0.275 0.000 0.999 53 I CA -0.781 60.415 61.300 -0.172 0.000 1.129 53 I CB 1.823 39.778 38.000 -0.076 0.000 1.288 53 I HN 0.482 nan 8.210 nan 0.000 0.444 54 T N 5.152 119.657 114.554 -0.081 0.000 2.829 54 T HA 0.248 4.598 4.350 0.000 0.000 0.293 54 T C 1.169 175.923 174.700 0.090 0.000 0.970 54 T CA 1.066 63.121 62.100 -0.075 0.000 1.168 54 T CB 0.740 69.590 68.868 -0.030 0.000 0.911 54 T HN 1.103 nan 8.240 nan 0.000 0.535 55 G N 2.535 111.336 108.800 0.001 0.000 2.336 55 G HA2 -0.305 3.655 3.960 0.000 0.000 0.233 55 G HA3 -0.305 3.655 3.960 0.000 0.000 0.233 55 G C 0.947 175.887 174.900 0.066 0.000 1.053 55 G CA 0.314 45.471 45.100 0.095 0.000 0.625 55 G HN 0.603 nan 8.290 nan 0.000 0.511 56 V N -0.263 119.657 119.914 0.010 0.000 2.521 56 V HA 0.193 4.314 4.120 0.000 0.000 0.239 56 V C 2.520 178.527 176.094 -0.144 0.000 1.053 56 V CA 2.717 64.960 62.300 -0.095 0.000 1.073 56 V CB 0.369 32.057 31.823 -0.225 0.000 0.746 56 V HN 0.420 nan 8.190 nan 0.000 0.476 57 T N -1.026 113.365 114.554 -0.270 0.000 2.999 57 T HA 0.110 4.460 4.350 0.000 0.000 0.247 57 T C 0.378 174.767 174.700 -0.519 0.000 1.012 57 T CA 0.184 62.087 62.100 -0.328 0.000 1.048 57 T CB -0.019 68.649 68.868 -0.333 0.000 1.020 57 T HN 0.674 nan 8.240 nan 0.000 0.478 66 Q N 0.248 120.091 119.800 0.072 0.000 2.394 66 Q HA 0.770 5.110 4.340 0.000 0.000 0.273 66 Q C -0.202 175.617 176.000 -0.301 0.000 1.089 66 Q CA -0.558 55.219 55.803 -0.045 0.000 0.812 66 Q CB 2.622 31.292 28.738 -0.113 0.000 1.353 66 Q HN 0.531 nan 8.270 nan 0.000 0.438 70 R N 2.642 122.808 120.500 -0.556 0.000 2.265 70 R HA 0.452 4.792 4.340 0.000 0.000 0.314 70 R C -0.527 175.560 176.300 -0.355 0.000 1.053 70 R CA -0.406 55.228 56.100 -0.776 0.000 0.931 70 R CB 0.431 30.026 30.300 -1.175 0.000 1.024 70 R HN 0.730 nan 8.270 nan 0.000 0.457 71 I N 4.035 124.453 120.570 -0.255 0.000 2.581 71 I HA -0.048 4.123 4.170 0.000 0.000 0.285 71 I C 0.726 176.726 176.117 -0.196 0.000 1.129 71 I CA 0.312 61.507 61.300 -0.175 0.000 1.397 71 I CB 0.899 38.808 38.000 -0.152 0.000 1.399 71 I HN 0.683 nan 8.210 nan 0.000 0.537 72 A N 5.854 128.579 122.820 -0.159 0.000 2.573 72 A HA 0.307 4.627 4.320 0.000 0.000 0.250 72 A C 1.327 178.837 177.584 -0.124 0.000 1.049 72 A CA 0.478 52.431 52.037 -0.139 0.000 0.767 72 A CB -0.657 18.280 19.000 -0.105 0.000 0.965 72 A HN 1.290 nan 8.150 nan 0.000 0.514 73 G N 2.469 111.199 108.800 -0.117 0.000 2.314 73 G HA2 0.049 4.010 3.960 0.000 0.000 0.292 73 G HA3 0.049 4.010 3.960 0.000 0.000 0.292 73 G C 0.333 175.190 174.900 -0.072 0.000 1.059 73 G CA 1.179 46.229 45.100 -0.082 0.000 0.982 73 G HN 2.644 nan 8.290 nan 0.000 0.505 74 T N -3.837 110.665 114.554 -0.086 0.000 2.812 74 T HA 0.603 4.953 4.350 0.000 0.000 0.294 74 T C 0.438 175.131 174.700 -0.012 0.000 1.159 74 T CA 0.288 62.356 62.100 -0.054 0.000 1.008 74 T CB 1.850 70.653 68.868 -0.108 0.000 1.289 74 T HN 0.233 nan 8.240 nan 0.000 0.514 75 D N -0.008 120.437 120.400 0.076 0.000 2.328 75 D HA 0.141 4.782 4.640 0.000 0.000 0.221 75 D C 0.316 176.760 176.300 0.239 0.000 1.072 75 D CA -0.204 53.858 54.000 0.104 0.000 0.850 75 D CB -0.401 40.416 40.800 0.028 0.000 0.922 75 D HN 0.360 nan 8.370 nan 0.000 0.516 76 V N 1.142 121.213 119.914 0.262 0.000 2.406 76 V HA 0.251 4.371 4.120 0.000 0.000 0.272 76 V C -0.490 175.752 176.094 0.246 0.000 1.043 76 V CA -0.729 61.856 62.300 0.474 0.000 0.915 76 V CB 0.312 32.241 31.823 0.177 0.000 0.988 76 V HN 0.062 nan 8.190 nan 0.000 0.466 77 W N 3.322 124.909 121.300 0.478 0.000 2.570 77 W HA 0.713 5.374 4.660 0.000 0.000 0.337 77 W C 0.097 176.859 176.519 0.405 0.000 1.067 77 W CA -0.305 57.270 57.345 0.383 0.000 1.229 77 W CB 1.286 31.010 29.460 0.440 0.000 1.355 77 W HN 0.473 nan 8.180 nan 0.000 0.555 78 Q N 1.925 121.997 119.800 0.454 0.000 2.418 78 Q HA 0.426 4.766 4.340 0.000 0.000 0.282 78 Q C -2.063 174.094 176.000 0.260 0.000 1.044 78 Q CA -0.708 55.251 55.803 0.260 0.000 0.813 78 Q CB 2.578 31.438 28.738 0.203 0.000 1.428 78 Q HN 0.617 nan 8.270 nan 0.000 0.402 79 W N 1.122 122.382 121.300 -0.067 0.000 3.074 79 W HA 0.677 5.337 4.660 0.000 0.000 0.332 79 W C -1.732 174.781 176.519 -0.009 0.000 1.253 79 W CA -0.124 57.199 57.345 -0.036 0.000 1.180 79 W CB 2.069 31.488 29.460 -0.068 0.000 1.445 79 W HN 0.549 nan 8.180 nan 0.000 0.573 80 T N 2.688 116.721 114.554 -0.868 0.000 2.916 80 T HA 0.650 5.000 4.350 0.000 0.000 0.305 80 T C -1.129 172.868 174.700 -1.171 0.000 1.119 80 T CA -0.417 61.236 62.100 -0.746 0.000 1.008 80 T CB 2.028 70.658 68.868 -0.397 0.000 1.129 80 T HN 0.468 nan 8.240 nan 0.000 0.480 81 T N 1.003 115.102 114.554 -0.757 0.000 2.665 81 T HA 0.495 4.845 4.350 0.000 0.000 0.303 81 T C -1.955 172.573 174.700 -0.287 0.000 1.334 81 T CA -0.556 61.178 62.100 -0.610 0.000 1.011 81 T CB 1.753 70.130 68.868 -0.818 0.000 1.573 81 T HN 0.525 nan 8.240 nan 0.000 0.492 82 Q N 1.475 121.152 119.800 -0.205 0.000 2.325 82 Q HA 0.629 4.969 4.340 0.000 0.000 0.270 82 Q C -1.212 174.703 176.000 -0.140 0.000 1.020 82 Q CA -0.532 55.198 55.803 -0.122 0.000 0.785 82 Q CB 2.177 30.863 28.738 -0.085 0.000 1.259 82 Q HN 0.458 nan 8.270 nan 0.000 0.452 83 L N 2.214 123.369 121.223 -0.113 0.000 2.346 83 L HA 0.432 4.772 4.340 0.000 0.000 0.274 83 L C -0.099 176.766 176.870 -0.008 0.000 1.007 83 L CA -0.909 53.815 54.840 -0.193 0.000 0.818 83 L CB 1.780 43.649 42.059 -0.317 0.000 1.284 83 L HN 0.591 nan 8.230 nan 0.000 0.424 84 N N 0.849 119.558 118.700 0.014 0.000 2.353 84 N HA -0.012 4.728 4.740 0.000 0.000 0.248 84 N C 0.895 176.508 175.510 0.171 0.000 1.240 84 N CA 0.327 53.457 53.050 0.133 0.000 0.862 84 N CB 0.934 39.524 38.487 0.172 0.000 1.086 84 N HN 0.792 nan 8.380 nan 0.000 0.453 85 A N 2.324 125.285 122.820 0.235 0.000 2.070 85 A HA -0.206 4.115 4.320 0.000 0.000 0.220 85 A C 1.590 179.188 177.584 0.024 0.000 1.159 85 A CA 1.564 53.735 52.037 0.224 0.000 0.656 85 A CB -0.534 18.753 19.000 0.478 0.000 0.800 85 A HN 0.900 nan 8.150 nan 0.000 0.453 86 N N -2.556 116.189 118.700 0.076 0.000 2.398 86 N HA -0.009 4.732 4.740 0.000 0.000 0.188 86 N C 0.111 175.630 175.510 0.016 0.000 1.122 86 N CA -0.273 52.795 53.050 0.031 0.000 0.866 86 N CB -0.445 38.069 38.487 0.045 0.000 0.970 86 N HN 0.569 nan 8.380 nan 0.000 0.462 87 W N 1.897 123.117 121.300 -0.134 0.000 2.216 87 W HA 0.332 4.992 4.660 0.000 0.000 0.326 87 W C 0.451 176.873 176.519 -0.161 0.000 1.319 87 W CA -0.282 56.986 57.345 -0.128 0.000 1.213 87 W CB 0.535 29.927 29.460 -0.113 0.000 1.171 87 W HN -0.054 nan 8.180 nan 0.000 0.557 88 R N 3.878 123.911 120.500 -0.778 0.000 2.698 88 R HA 0.726 5.066 4.340 0.000 0.000 0.275 88 R C -0.690 174.734 176.300 -1.459 0.000 1.001 88 R CA -0.330 55.302 56.100 -0.779 0.000 0.896 88 R CB 1.642 31.674 30.300 -0.447 0.000 1.218 88 R HN 0.747 nan 8.270 nan 0.000 0.462 89 G N 0.685 108.897 108.800 -0.979 0.000 2.316 89 G HA2 0.239 4.199 3.960 0.000 0.000 0.296 89 G HA3 0.239 4.199 3.960 0.000 0.000 0.296 89 G C -1.613 173.280 174.900 -0.011 0.000 1.399 89 G CA -0.256 44.429 45.100 -0.693 0.000 0.833 89 G HN 0.713 nan 8.290 nan 0.000 0.565 90 S N -1.143 114.625 115.700 0.113 0.000 2.648 90 S HA 0.946 5.416 4.470 0.000 0.000 0.305 90 S C -0.697 174.044 174.600 0.234 0.000 1.094 90 S CA -0.445 57.861 58.200 0.177 0.000 0.983 90 S CB 2.000 65.214 63.200 0.023 0.000 1.101 90 S HN 2.102 nan 8.310 nan 0.000 0.514 91 Y N -1.856 118.442 120.300 -0.004 0.000 2.609 91 Y HA 0.795 5.345 4.550 0.000 0.000 0.336 91 Y C -0.634 175.151 175.900 -0.191 0.000 1.129 91 Y CA -1.479 56.601 58.100 -0.033 0.000 1.040 91 Y CB 0.479 38.988 38.460 0.082 0.000 1.310 91 Y HN 1.171 nan 8.280 nan 0.000 0.460 92 C N -0.019 119.172 119.300 -0.181 0.000 3.285 92 C HA 0.834 5.294 4.460 0.000 0.000 0.320 92 C C -1.163 173.755 174.990 -0.120 0.000 1.411 92 C CA -1.345 57.431 59.018 -0.404 0.000 1.429 92 C CB 1.178 28.682 27.740 -0.393 0.000 1.812 92 C HN 0.895 nan 8.230 nan 0.000 0.454 93 F N 0.400 120.297 119.950 -0.088 0.000 2.492 93 F HA 0.685 5.213 4.527 0.000 0.000 0.327 93 F C 0.345 176.015 175.800 -0.217 0.000 1.079 93 F CA -1.064 56.846 58.000 -0.151 0.000 0.967 93 F CB 1.493 40.346 39.000 -0.245 0.000 1.169 93 F HN 0.377 nan 8.300 nan 0.000 0.472 94 I N 3.554 124.140 120.570 0.027 0.000 2.778 94 I HA 0.241 4.411 4.170 0.000 0.000 0.285 94 I C -2.714 173.307 176.117 -0.160 0.000 1.236 94 I CA -1.898 59.393 61.300 -0.016 0.000 1.089 94 I CB 0.514 38.632 38.000 0.196 0.000 1.601 94 I HN 0.138 nan 8.210 nan 0.000 0.573 95 P HA 0.128 nan 4.420 nan 0.000 0.271 95 P C -0.177 176.948 177.300 -0.290 0.000 1.220 95 P CA 0.286 63.029 63.100 -0.595 0.000 0.768 95 P CB 1.030 32.189 31.700 -0.902 0.000 0.848 96 T N 1.295 115.704 114.554 -0.241 0.000 2.956 96 T HA 0.222 4.572 4.350 0.000 0.000 0.312 96 T C 0.376 175.040 174.700 -0.061 0.000 1.151 96 T CA -0.509 61.537 62.100 -0.090 0.000 1.024 96 T CB 0.968 69.846 68.868 0.016 0.000 1.140 96 T HN 0.286 nan 8.240 nan 0.000 0.473 97 E N 1.823 122.011 120.200 -0.020 0.000 2.489 97 E HA 0.157 4.507 4.350 0.000 0.000 0.193 97 E C 0.719 177.326 176.600 0.011 0.000 1.057 97 E CA -0.027 56.378 56.400 0.009 0.000 0.866 97 E CB 0.486 30.197 29.700 0.019 0.000 0.916 97 E HN 0.213 nan 8.360 nan 0.000 0.500 98 R N 2.361 122.863 120.500 0.003 0.000 2.230 98 R HA 0.012 4.352 4.340 0.000 0.000 0.337 98 R C -0.113 176.211 176.300 0.040 0.000 1.063 98 R CA -0.118 55.981 56.100 -0.001 0.000 0.935 98 R CB 0.358 30.633 30.300 -0.042 0.000 1.121 98 R HN 0.093 nan 8.270 nan 0.000 0.486 99 D N 2.244 122.673 120.400 0.047 0.000 2.349 99 D HA -0.111 4.529 4.640 0.000 0.000 0.214 99 D C 0.490 176.839 176.300 0.082 0.000 1.063 99 D CA 0.170 54.227 54.000 0.094 0.000 0.847 99 D CB 0.388 41.233 40.800 0.074 0.000 0.933 99 D HN 0.578 nan 8.370 nan 0.000 0.513 100 D N 0.205 120.614 120.400 0.015 0.000 2.354 100 D HA -0.011 4.630 4.640 0.000 0.000 0.209 100 D C 0.759 177.005 176.300 -0.090 0.000 1.015 100 D CA -0.456 53.531 54.000 -0.021 0.000 0.867 100 D CB 0.177 40.954 40.800 -0.039 0.000 0.933 100 D HN 0.252 nan 8.370 nan 0.000 0.520 101 I N 1.040 121.512 120.570 -0.162 0.000 2.471 101 I HA 0.023 4.194 4.170 0.000 0.000 0.286 101 I C -0.137 175.729 176.117 -0.418 0.000 1.079 101 I CA -0.267 60.772 61.300 -0.436 0.000 1.398 101 I CB -0.124 37.519 38.000 -0.595 0.000 1.403 101 I HN -0.160 nan 8.210 nan 0.000 0.530 102 F N 3.747 123.489 119.950 -0.348 0.000 3.074 102 F HA -0.264 4.263 4.527 0.000 0.000 0.287 102 F C 1.586 177.328 175.800 -0.098 0.000 0.932 102 F CA 0.811 58.597 58.000 -0.356 0.000 0.995 102 F CB -2.507 36.023 39.000 -0.783 0.000 0.966 102 F HN 0.491 nan 8.300 nan 0.000 0.721 103 S N -0.974 114.776 115.700 0.083 0.000 2.395 103 S HA 0.296 4.766 4.470 0.000 0.000 0.225 103 S C 1.535 176.174 174.600 0.066 0.000 1.027 103 S CA 0.447 58.700 58.200 0.089 0.000 0.965 103 S CB -0.051 63.176 63.200 0.046 0.000 0.812 103 S HN 0.669 nan 8.310 nan 0.000 0.482 104 A N 2.571 125.416 122.820 0.041 0.000 2.561 104 A HA 0.239 4.559 4.320 0.000 0.000 0.234 104 A C -0.847 176.754 177.584 0.029 0.000 1.055 104 A CA -0.879 51.175 52.037 0.027 0.000 0.756 104 A CB -0.375 18.632 19.000 0.012 0.000 0.986 104 A HN 0.196 nan 8.150 nan 0.000 0.505 105 P HA -0.090 nan 4.420 nan 0.000 0.211 105 P C 0.576 177.877 177.300 0.001 0.000 1.181 105 P CA 1.497 64.608 63.100 0.019 0.000 0.929 105 P CB 0.175 31.883 31.700 0.013 0.000 0.789 106 S N -1.217 114.477 115.700 -0.011 0.000 2.594 106 S HA 0.560 5.031 4.470 0.000 0.000 0.296 106 S C -2.670 171.909 174.600 -0.034 0.000 1.124 106 S CA -1.284 56.897 58.200 -0.033 0.000 1.011 106 S CB 0.519 63.705 63.200 -0.023 0.000 1.016 106 S HN -0.167 nan 8.310 nan 0.000 0.485 107 P HA 0.526 nan 4.420 nan 0.000 0.284 107 P C -1.382 175.899 177.300 -0.031 0.000 1.287 107 P CA -0.689 62.390 63.100 -0.036 0.000 0.824 107 P CB 0.504 32.185 31.700 -0.032 0.000 1.180 108 D N -1.540 118.851 120.400 -0.016 0.000 2.388 108 D HA 0.202 4.842 4.640 0.000 0.000 0.254 108 D C 1.029 177.328 176.300 -0.002 0.000 1.111 108 D CA -0.776 53.218 54.000 -0.009 0.000 0.993 108 D CB 0.712 41.508 40.800 -0.007 0.000 1.118 108 D HN 0.111 nan 8.370 nan 0.000 0.502 109 R N -0.115 120.388 120.500 0.004 0.000 2.170 109 R HA -0.130 4.210 4.340 0.000 0.000 0.242 109 R C 1.596 177.911 176.300 0.025 0.000 1.145 109 R CA 1.095 57.206 56.100 0.018 0.000 0.984 109 R CB -0.505 29.804 30.300 0.014 0.000 0.869 109 R HN 0.623 nan 8.270 nan 0.000 0.455 110 L N 0.098 121.327 121.223 0.011 0.000 2.095 110 L HA -0.105 4.236 4.340 0.000 0.000 0.204 110 L C 1.925 178.798 176.870 0.005 0.000 1.080 110 L CA 1.502 56.345 54.840 0.005 0.000 0.759 110 L CB -0.414 41.642 42.059 -0.006 0.000 0.914 110 L HN 0.129 nan 8.230 nan 0.000 0.439 111 E N -0.230 119.971 120.200 0.002 0.000 2.502 111 E HA -0.038 4.313 4.350 0.000 0.000 0.194 111 E C 1.664 178.286 176.600 0.038 0.000 1.062 111 E CA 0.258 56.652 56.400 -0.010 0.000 0.867 111 E CB -0.046 29.640 29.700 -0.024 0.000 0.888 111 E HN 0.233 nan 8.360 nan 0.000 0.510 112 L N 0.542 121.811 121.223 0.077 0.000 2.102 112 L HA 0.099 4.439 4.340 0.000 0.000 0.202 112 L C 2.317 179.293 176.870 0.178 0.000 1.076 112 L CA 1.182 56.104 54.840 0.137 0.000 0.761 112 L CB -0.618 41.530 42.059 0.147 0.000 0.921 112 L HN -0.033 nan 8.230 nan 0.000 0.444 113 R N -0.008 120.578 120.500 0.143 0.000 2.136 113 R HA -0.253 4.087 4.340 0.000 0.000 0.242 113 R C 2.305 178.639 176.300 0.056 0.000 1.131 113 R CA 1.844 58.012 56.100 0.113 0.000 0.937 113 R CB -0.455 29.872 30.300 0.044 0.000 0.863 113 R HN 0.198 nan 8.270 nan 0.000 0.435 114 E N -1.007 119.185 120.200 -0.013 0.000 2.077 114 E HA -0.075 4.275 4.350 0.000 0.000 0.193 114 E C 1.870 178.359 176.600 -0.184 0.000 0.989 114 E CA 1.582 57.932 56.400 -0.084 0.000 0.800 114 E CB -0.569 29.074 29.700 -0.096 0.000 0.746 114 E HN 0.453 nan 8.360 nan 0.000 0.452 115 G N -0.463 108.167 108.800 -0.283 0.000 2.453 115 G HA2 -0.254 3.707 3.960 0.000 0.000 0.215 115 G HA3 -0.254 3.707 3.960 0.000 0.000 0.215 115 G C 1.345 175.900 174.900 -0.575 0.000 1.201 115 G CA 0.763 45.412 45.100 -0.752 0.000 0.784 115 G HN 0.352 nan 8.290 nan 0.000 0.545 116 W N 0.470 121.736 121.300 -0.058 0.000 2.342 116 W HA 0.034 4.694 4.660 0.000 0.000 0.297 116 W C 2.842 179.260 176.519 -0.168 0.000 1.213 116 W CA 0.682 57.973 57.345 -0.090 0.000 1.251 116 W CB -0.102 29.367 29.460 0.015 0.000 1.136 116 W HN 0.049 nan 8.180 nan 0.000 0.526 117 R N 1.139 121.679 120.500 0.067 0.000 2.113 117 R HA -0.248 4.093 4.340 0.000 0.000 0.244 117 R C 1.844 178.104 176.300 -0.067 0.000 1.142 117 R CA 2.073 58.166 56.100 -0.011 0.000 0.953 117 R CB -0.260 30.021 30.300 -0.032 0.000 0.860 117 R HN 0.065 nan 8.270 nan 0.000 0.438 118 K N -0.030 120.289 120.400 -0.134 0.000 2.062 118 K HA 0.004 4.324 4.320 0.000 0.000 0.205 118 K C 2.020 178.531 176.600 -0.148 0.000 1.051 118 K CA 0.916 57.110 56.287 -0.155 0.000 0.941 118 K CB -0.064 32.305 32.500 -0.217 0.000 0.719 118 K HN 0.149 nan 8.250 nan 0.000 0.440 119 L N 0.165 121.281 121.223 -0.179 0.000 2.044 119 L HA -0.096 4.244 4.340 0.000 0.000 0.205 119 L C 2.046 178.872 176.870 -0.072 0.000 1.075 119 L CA 0.843 55.606 54.840 -0.130 0.000 0.747 119 L CB -0.420 41.543 42.059 -0.159 0.000 0.903 119 L HN 0.126 nan 8.230 nan 0.000 0.435 120 L N -0.091 121.094 121.223 -0.065 0.000 2.137 120 L HA -0.214 4.127 4.340 0.000 0.000 0.213 120 L C -0.355 176.447 176.870 -0.113 0.000 1.085 120 L CA 1.399 56.147 54.840 -0.152 0.000 0.760 120 L CB -1.745 40.198 42.059 -0.193 0.000 0.893 120 L HN 0.244 nan 8.230 nan 0.000 0.434 121 P HA -0.191 nan 4.420 nan 0.000 0.221 121 P C 1.192 178.459 177.300 -0.055 0.000 1.145 121 P CA 1.254 64.324 63.100 -0.051 0.000 0.795 121 P CB 0.026 31.697 31.700 -0.048 0.000 0.775 122 Q N -1.239 118.520 119.800 -0.069 0.000 2.360 122 Q HA 0.241 4.582 4.340 0.000 0.000 0.202 122 Q C 0.631 176.576 176.000 -0.092 0.000 0.915 122 Q CA -0.312 55.449 55.803 -0.069 0.000 0.943 122 Q CB -0.113 28.586 28.738 -0.065 0.000 1.064 122 Q HN 0.118 nan 8.270 nan 0.000 0.511 123 A N 1.528 124.273 122.820 -0.125 0.000 2.565 123 A HA 0.285 4.605 4.320 0.000 0.000 0.237 123 A C 0.152 177.653 177.584 -0.139 0.000 1.053 123 A CA 0.246 52.173 52.037 -0.184 0.000 0.755 123 A CB -0.351 18.433 19.000 -0.360 0.000 0.980 123 A HN 0.478 nan 8.150 nan 0.000 0.506 124 I N -1.383 119.097 120.570 -0.149 0.000 2.969 124 I HA 0.838 5.008 4.170 0.000 0.000 0.307 124 I C 0.055 176.041 176.117 -0.219 0.000 1.149 124 I CA -1.107 60.117 61.300 -0.126 0.000 1.008 124 I CB 2.137 40.105 38.000 -0.053 0.000 1.232 124 I HN 0.703 nan 8.210 nan 0.000 0.435 125 A N 1.921 124.613 122.820 -0.214 0.000 2.302 125 A HA 0.320 4.640 4.320 0.000 0.000 0.285 125 A C -0.258 177.189 177.584 -0.228 0.000 1.105 125 A CA -0.321 51.513 52.037 -0.338 0.000 0.816 125 A CB 0.334 19.155 19.000 -0.298 0.000 1.067 125 A HN 0.826 nan 8.150 nan 0.000 0.489 126 D N 1.628 121.817 120.400 -0.351 0.000 2.402 126 D HA 0.092 4.733 4.640 0.000 0.000 0.268 126 D C -1.575 174.831 176.300 0.176 0.000 1.294 126 D CA -1.130 52.895 54.000 0.042 0.000 0.945 126 D CB 0.738 41.659 40.800 0.202 0.000 1.112 126 D HN 0.104 nan 8.370 nan 0.000 0.517 127 P HA -0.032 nan 4.420 nan 0.000 0.231 127 P C 0.966 178.380 177.300 0.190 0.000 1.158 127 P CA 0.749 63.969 63.100 0.200 0.000 0.763 127 P CB 0.238 32.066 31.700 0.213 0.000 0.805 128 L N -2.848 118.535 121.223 0.266 0.000 2.638 128 L HA 0.195 4.535 4.340 0.000 0.000 0.232 128 L C 0.846 177.880 176.870 0.273 0.000 1.099 128 L CA -0.057 54.938 54.840 0.259 0.000 0.883 128 L CB -0.182 42.069 42.059 0.320 0.000 1.136 128 L HN -0.115 nan 8.230 nan 0.000 0.492 129 N N 1.236 120.095 118.700 0.264 0.000 2.420 129 N HA 0.164 4.904 4.740 0.000 0.000 0.249 129 N C -1.891 173.727 175.510 0.180 0.000 1.033 129 N CA -1.786 51.414 53.050 0.249 0.000 0.944 129 N CB 1.737 40.387 38.487 0.272 0.000 1.113 129 N HN -0.170 nan 8.380 nan 0.000 0.502 130 P HA -0.079 nan 4.420 nan 0.000 0.218 130 P C 0.019 177.412 177.300 0.154 0.000 1.149 130 P CA 1.049 64.237 63.100 0.148 0.000 0.817 130 P CB 0.291 32.073 31.700 0.136 0.000 0.785 131 Q N 0.375 120.285 119.800 0.184 0.000 3.159 131 Q HA 0.185 4.525 4.340 0.000 0.000 0.280 131 Q C -0.394 175.783 176.000 0.294 0.000 1.403 131 Q CA 0.505 56.451 55.803 0.238 0.000 0.957 131 Q CB -0.380 28.502 28.738 0.239 0.000 1.729 131 Q HN 0.177 nan 8.270 nan 0.000 0.551 132 S N 0.923 116.771 115.700 0.247 0.000 2.568 132 S HA 0.755 5.225 4.470 0.000 0.000 0.293 132 S C -0.873 173.905 174.600 0.297 0.000 1.089 132 S CA -0.827 57.435 58.200 0.104 0.000 0.945 132 S CB 1.350 64.511 63.200 -0.065 0.000 1.077 132 S HN 0.556 nan 8.310 nan 0.000 0.485 133 W N 0.321 121.577 121.300 -0.075 0.000 2.940 133 W HA 0.749 5.409 4.660 0.000 0.000 0.394 133 W C -1.514 174.972 176.519 -0.055 0.000 1.155 133 W CA -1.098 56.198 57.345 -0.082 0.000 1.165 133 W CB 0.393 29.775 29.460 -0.131 0.000 1.492 133 W HN 0.413 nan 8.180 nan 0.000 0.593 134 K N 1.762 122.232 120.400 0.118 0.000 2.250 134 K HA 0.465 4.785 4.320 0.000 0.000 0.280 134 K C 0.435 177.103 176.600 0.113 0.000 1.098 134 K CA -0.075 56.219 56.287 0.011 0.000 0.916 134 K CB 0.416 32.937 32.500 0.034 0.000 1.209 134 K HN 0.744 nan 8.250 nan 0.000 0.461 135 G N 2.199 110.916 108.800 -0.138 0.000 2.670 135 G HA2 0.000 3.960 3.960 0.000 0.000 0.233 135 G HA3 0.000 3.960 3.960 0.000 0.000 0.233 135 G C 1.000 175.858 174.900 -0.070 0.000 1.251 135 G CA -0.097 44.947 45.100 -0.093 0.000 0.849 135 G HN 0.776 nan 8.290 nan 0.000 0.588 136 G N -0.287 108.431 108.800 -0.136 0.000 2.470 136 G HA2 -0.022 3.938 3.960 0.000 0.000 0.220 136 G HA3 -0.022 3.938 3.960 0.000 0.000 0.220 136 G C 0.995 175.772 174.900 -0.205 0.000 1.121 136 G CA 0.359 45.326 45.100 -0.221 0.000 0.766 136 G HN 0.409 nan 8.290 nan 0.000 0.553 137 L N 0.972 122.006 121.223 -0.315 0.000 3.036 137 L HA 0.456 4.797 4.340 0.000 0.000 0.237 137 L C 1.717 178.318 176.870 -0.449 0.000 1.319 137 L CA 0.492 55.125 54.840 -0.345 0.000 1.112 137 L CB 0.289 42.158 42.059 -0.316 0.000 1.480 137 L HN 0.244 nan 8.230 nan 0.000 0.506 138 G N -0.965 107.652 108.800 -0.304 0.000 2.302 138 G HA2 -0.312 3.648 3.960 0.000 0.000 0.263 138 G HA3 -0.312 3.648 3.960 0.000 0.000 0.263 138 G C 0.472 175.269 174.900 -0.172 0.000 0.995 138 G CA 0.731 45.715 45.100 -0.194 0.000 0.622 138 G HN 0.612 nan 8.290 nan 0.000 0.538 139 H N -0.149 118.854 119.070 -0.112 0.000 2.567 139 H HA 0.807 5.363 4.556 0.000 0.000 0.345 139 H C 0.487 175.701 175.328 -0.190 0.000 1.169 139 H CA -0.562 55.398 56.048 -0.146 0.000 1.227 139 H CB 1.521 31.175 29.762 -0.179 0.000 1.607 139 H HN 0.590 nan 8.280 nan 0.000 0.534 140 A N 1.673 124.474 122.820 -0.031 0.000 2.386 140 A HA 0.456 4.776 4.320 0.000 0.000 0.248 140 A C 0.490 177.905 177.584 -0.281 0.000 1.082 140 A CA 0.128 52.054 52.037 -0.185 0.000 0.789 140 A CB 0.178 19.074 19.000 -0.173 0.000 1.025 140 A HN 0.766 nan 8.150 nan 0.000 0.490 141 V N -1.439 118.102 119.914 -0.622 0.000 3.181 141 V HA 0.929 5.050 4.120 0.000 0.000 0.308 141 V C -0.320 175.125 176.094 -1.082 0.000 1.214 141 V CA -0.513 61.307 62.300 -0.800 0.000 1.053 141 V CB 1.706 33.096 31.823 -0.722 0.000 1.069 141 V HN 0.944 nan 8.190 nan 0.000 0.441 142 S N 0.543 115.640 115.700 -1.005 0.000 2.541 142 S HA 0.893 5.363 4.470 0.000 0.000 0.280 142 S C -0.130 174.220 174.600 -0.416 0.000 1.112 142 S CA -0.099 57.652 58.200 -0.749 0.000 0.925 142 S CB 1.624 64.322 63.200 -0.837 0.000 1.067 142 S HN 1.612 nan 8.310 nan 0.000 0.479 143 A N 2.504 125.383 122.820 0.099 0.000 2.340 143 A HA 0.770 5.090 4.320 0.000 0.000 0.268 143 A C -0.740 177.062 177.584 0.364 0.000 1.100 143 A CA -0.433 51.790 52.037 0.310 0.000 0.803 143 A CB 0.270 19.488 19.000 0.363 0.000 1.043 143 A HN 0.812 nan 8.150 nan 0.000 0.488 144 L N 2.035 123.453 121.223 0.324 0.000 2.441 144 L HA 0.451 4.791 4.340 0.000 0.000 0.270 144 L C -0.662 176.235 176.870 0.044 0.000 0.973 144 L CA -0.118 54.867 54.840 0.242 0.000 0.842 144 L CB 1.588 43.887 42.059 0.400 0.000 1.239 144 L HN 1.008 nan 8.230 nan 0.000 0.406 148 Q N 0.328 120.082 119.800 -0.076 0.000 2.319 148 Q HA 0.493 4.833 4.340 0.000 0.000 0.202 148 Q C 0.635 176.618 176.000 -0.029 0.000 0.896 148 Q CA 0.078 55.878 55.803 -0.005 0.000 0.942 148 Q CB 0.718 29.487 28.738 0.052 0.000 1.083 148 Q HN 0.336 nan 8.270 nan 0.000 0.510 149 A N 2.859 125.633 122.820 -0.077 0.000 2.531 149 A HA 0.183 4.503 4.320 0.000 0.000 0.236 149 A C -2.128 175.419 177.584 -0.061 0.000 1.062 149 A CA -0.890 51.095 52.037 -0.087 0.000 0.760 149 A CB -0.296 18.622 19.000 -0.136 0.000 0.995 149 A HN -0.000 nan 8.150 nan 0.000 0.501 150 P HA 0.187 nan 4.420 nan 0.000 0.266 150 P C -0.320 176.957 177.300 -0.038 0.000 1.215 150 P CA 0.028 63.103 63.100 -0.041 0.000 0.763 150 P CB 0.210 31.883 31.700 -0.046 0.000 0.806 151 L N 3.198 124.413 121.223 -0.013 0.000 2.543 151 L HA -0.064 4.276 4.340 0.000 0.000 0.285 151 L C 0.915 177.795 176.870 0.018 0.000 1.236 151 L CA 0.700 55.544 54.840 0.007 0.000 0.871 151 L CB -0.275 41.795 42.059 0.019 0.000 1.121 151 L HN 0.370 nan 8.230 nan 0.000 0.501 152 Q N 3.819 123.654 119.800 0.059 0.000 2.348 152 Q HA 0.351 4.691 4.340 0.000 0.000 0.265 152 Q C -2.343 173.784 176.000 0.211 0.000 0.998 152 Q CA -2.220 53.657 55.803 0.125 0.000 0.831 152 Q CB 1.411 30.213 28.738 0.106 0.000 1.251 152 Q HN 0.352 nan 8.270 nan 0.000 0.456 153 P HA -0.135 nan 4.420 nan 0.000 0.258 153 P C 0.815 178.103 177.300 -0.019 0.000 1.172 153 P CA 1.477 64.604 63.100 0.044 0.000 0.762 153 P CB 0.433 32.138 31.700 0.009 0.000 0.764 154 G N 2.192 110.951 108.800 -0.067 0.000 2.420 154 G HA2 -0.284 3.677 3.960 0.000 0.000 0.221 154 G HA3 -0.284 3.677 3.960 0.000 0.000 0.221 154 G C 0.893 175.680 174.900 -0.189 0.000 1.117 154 G CA -0.062 44.910 45.100 -0.214 0.000 0.657 154 G HN 0.474 nan 8.290 nan 0.000 0.512 155 W N 2.556 123.822 121.300 -0.057 0.000 2.678 155 W HA 0.235 4.895 4.660 0.000 0.000 0.256 155 W C 2.230 178.722 176.519 -0.044 0.000 1.280 155 W CA 1.108 58.413 57.345 -0.067 0.000 1.345 155 W CB 0.214 29.623 29.460 -0.084 0.000 1.118 155 W HN 0.503 nan 8.180 nan 0.000 0.629 156 D N -0.644 119.850 120.400 0.157 0.000 2.349 156 D HA -0.015 4.625 4.640 0.000 0.000 0.214 156 D C 0.627 176.963 176.300 0.059 0.000 1.063 156 D CA 0.177 54.237 54.000 0.100 0.000 0.847 156 D CB -0.796 40.052 40.800 0.080 0.000 0.933 156 D HN 0.210 nan 8.370 nan 0.000 0.513 157 C N -0.790 118.530 119.300 0.033 0.000 3.421 157 C HA 0.532 4.992 4.460 0.000 0.000 0.194 157 C C -3.100 171.884 174.990 -0.009 0.000 1.418 157 C CA -2.079 56.949 59.018 0.018 0.000 1.226 157 C CB -0.417 27.336 27.740 0.023 0.000 1.875 157 C HN -0.163 nan 8.230 nan 0.000 0.561 158 P HA 0.436 nan 4.420 nan 0.000 0.275 158 P C -0.500 176.785 177.300 -0.024 0.000 1.227 158 P CA 0.742 63.809 63.100 -0.055 0.000 0.781 158 P CB 0.658 32.327 31.700 -0.051 0.000 0.906 159 Q N 1.484 121.270 119.800 -0.025 0.000 2.310 159 Q HA 0.603 4.943 4.340 0.000 0.000 0.270 159 Q C -0.866 175.136 176.000 0.004 0.000 1.025 159 Q CA -0.618 55.178 55.803 -0.012 0.000 0.772 159 Q CB 1.393 30.123 28.738 -0.012 0.000 1.253 159 Q HN 0.523 nan 8.270 nan 0.000 0.450 160 A N 5.053 127.876 122.820 0.005 0.000 2.573 160 A HA 0.239 4.559 4.320 0.000 0.000 0.250 160 A C -2.049 175.563 177.584 0.045 0.000 1.049 160 A CA -0.580 51.472 52.037 0.026 0.000 0.767 160 A CB -0.568 18.441 19.000 0.015 0.000 0.965 160 A HN 0.516 nan 8.150 nan 0.000 0.514 161 P HA 0.101 nan 4.420 nan 0.000 0.264 161 P C 0.479 177.826 177.300 0.079 0.000 1.193 161 P CA 0.061 63.257 63.100 0.159 0.000 0.763 161 P CB 0.572 32.433 31.700 0.269 0.000 0.810 162 E N 2.140 122.365 120.200 0.042 0.000 2.017 162 E HA -0.125 4.225 4.350 0.000 0.000 0.193 162 E C 0.161 176.767 176.600 0.010 0.000 0.997 162 E CA 1.109 57.512 56.400 0.005 0.000 0.804 162 E CB -0.249 29.440 29.700 -0.020 0.000 0.757 162 E HN 0.387 nan 8.360 nan 0.000 0.448 163 I N 1.885 122.458 120.570 0.005 0.000 2.378 163 I HA 0.225 4.396 4.170 0.000 0.000 0.291 163 I C -2.392 173.778 176.117 0.090 0.000 0.992 163 I CA -2.826 58.475 61.300 0.002 0.000 1.154 163 I CB 1.252 39.216 38.000 -0.059 0.000 1.315 163 I HN -0.145 nan 8.210 nan 0.000 0.448 164 P HA 0.255 nan 4.420 nan 0.000 0.275 164 P C -0.452 176.853 177.300 0.007 0.000 1.227 164 P CA -0.421 62.692 63.100 0.023 0.000 0.781 164 P CB 0.898 32.581 31.700 -0.028 0.000 0.906 165 A N 3.151 125.879 122.820 -0.153 0.000 2.561 165 A HA 0.058 4.378 4.320 0.000 0.000 0.234 165 A C 0.533 178.088 177.584 -0.049 0.000 1.055 165 A CA 0.169 52.127 52.037 -0.131 0.000 0.756 165 A CB -0.394 18.073 19.000 -0.887 0.000 0.986 165 A HN 0.520 nan 8.150 nan 0.000 0.505 166 K N 1.749 122.163 120.400 0.023 0.000 2.276 166 K HA 0.242 4.563 4.320 0.000 0.000 0.285 166 K C -0.056 176.550 176.600 0.010 0.000 1.062 166 K CA 0.068 56.365 56.287 0.017 0.000 0.918 166 K CB 0.555 33.058 32.500 0.006 0.000 1.055 166 K HN 0.704 nan 8.250 nan 0.000 0.477 167 E N 6.669 126.846 120.200 -0.039 0.000 2.115 167 E HA 0.166 4.516 4.350 0.000 0.000 0.282 167 E C -0.404 176.065 176.600 -0.219 0.000 0.987 167 E CA -0.763 55.483 56.400 -0.257 0.000 0.797 167 E CB 0.551 30.081 29.700 -0.283 0.000 1.086 167 E HN 0.661 nan 8.360 nan 0.000 0.397 168 I N 2.917 123.345 120.570 -0.237 0.000 2.910 168 I HA 0.488 4.659 4.170 0.000 0.000 0.310 168 I C -0.746 175.275 176.117 -0.160 0.000 1.043 168 I CA -1.061 60.152 61.300 -0.145 0.000 1.053 168 I CB 1.517 39.473 38.000 -0.074 0.000 1.242 168 I HN 0.547 nan 8.210 nan 0.000 0.452 169 I N 3.060 123.584 120.570 -0.077 0.000 2.499 169 I HA 0.176 4.346 4.170 0.000 0.000 0.296 169 I C -1.250 174.929 176.117 0.103 0.000 0.992 169 I CA -0.346 60.937 61.300 -0.028 0.000 1.297 169 I CB 1.664 39.643 38.000 -0.035 0.000 1.410 169 I HN 0.668 nan 8.210 nan 0.000 0.507 170 W N 7.801 129.044 121.300 -0.095 0.000 2.363 170 W HA 0.336 4.996 4.660 0.000 0.000 0.314 170 W C -0.458 176.029 176.519 -0.054 0.000 0.994 170 W CA -1.594 55.710 57.345 -0.068 0.000 1.449 170 W CB 0.577 29.998 29.460 -0.066 0.000 1.248 170 W HN 0.313 nan 8.180 nan 0.000 0.409 171 K N 4.714 125.140 120.400 0.043 0.000 2.292 171 K HA 0.275 4.596 4.320 0.000 0.000 0.290 171 K C -0.141 176.357 176.600 -0.170 0.000 1.083 171 K CA 0.037 56.260 56.287 -0.106 0.000 0.918 171 K CB 0.519 33.005 32.500 -0.023 0.000 1.089 171 K HN 0.288 nan 8.250 nan 0.000 0.473 172 S N 3.280 118.723 115.700 -0.429 0.000 2.438 172 S HA 0.049 4.520 4.470 0.000 0.000 0.293 172 S C 0.869 175.372 174.600 -0.161 0.000 1.141 172 S CA -0.579 57.386 58.200 -0.393 0.000 1.080 172 S CB 1.398 64.110 63.200 -0.813 0.000 0.978 172 S HN 0.843 nan 8.310 nan 0.000 0.479 173 E N 4.462 124.637 120.200 -0.041 0.000 2.016 173 E HA -0.121 4.229 4.350 0.000 0.000 0.190 173 E C 2.093 178.680 176.600 -0.021 0.000 0.985 173 E CA 0.670 57.058 56.400 -0.019 0.000 0.802 173 E CB -0.148 29.562 29.700 0.016 0.000 0.762 173 E HN 0.790 nan 8.360 nan 0.000 0.448 174 R N -0.060 120.439 120.500 -0.001 0.000 2.094 174 R HA -0.177 4.163 4.340 0.000 0.000 0.239 174 R C 2.282 178.566 176.300 -0.027 0.000 1.137 174 R CA 1.532 57.635 56.100 0.003 0.000 0.943 174 R CB -0.218 30.101 30.300 0.033 0.000 0.850 174 R HN 0.211 nan 8.270 nan 0.000 0.433 175 L N 1.074 122.249 121.223 -0.079 0.000 2.217 175 L HA -0.007 4.333 4.340 0.000 0.000 0.211 175 L C 0.789 177.600 176.870 -0.098 0.000 1.107 175 L CA 1.397 56.172 54.840 -0.108 0.000 0.783 175 L CB -0.515 41.406 42.059 -0.230 0.000 0.919 175 L HN 0.232 nan 8.230 nan 0.000 0.442 176 K N 0.928 121.264 120.400 -0.107 0.000 3.096 176 K HA -0.226 4.094 4.320 0.000 0.000 0.266 176 K C -0.517 176.034 176.600 -0.083 0.000 1.043 176 K CA 0.759 56.998 56.287 -0.079 0.000 0.758 176 K CB -1.637 30.837 32.500 -0.043 0.000 1.260 176 K HN 0.729 nan 8.250 nan 0.000 0.481 177 N N -2.504 116.104 118.700 -0.153 0.000 2.823 177 N HA 0.420 5.161 4.740 0.000 0.000 0.251 177 N C -1.261 174.094 175.510 -0.257 0.000 1.392 177 N CA -0.941 52.019 53.050 -0.151 0.000 0.864 177 N CB 1.744 40.185 38.487 -0.076 0.000 1.481 177 N HN -0.094 nan 8.380 nan 0.000 0.508 178 S N -0.457 115.123 115.700 -0.200 0.000 2.593 178 S HA 0.796 5.266 4.470 0.000 0.000 0.297 178 S C -0.813 173.679 174.600 -0.180 0.000 1.112 178 S CA -0.935 57.147 58.200 -0.197 0.000 1.043 178 S CB 0.710 63.843 63.200 -0.112 0.000 1.054 178 S HN 0.747 nan 8.310 nan 0.000 0.516 179 R N 1.460 121.887 120.500 -0.122 0.000 2.594 179 R HA 0.397 4.738 4.340 0.000 0.000 0.265 179 R C -1.476 174.814 176.300 -0.016 0.000 1.070 179 R CA -0.869 55.196 56.100 -0.058 0.000 0.909 179 R CB 1.026 31.312 30.300 -0.024 0.000 1.243 179 R HN 0.563 nan 8.270 nan 0.000 0.455 180 R N 1.327 121.763 120.500 -0.107 0.000 2.679 180 R HA 0.320 4.661 4.340 0.000 0.000 0.268 180 R C -0.263 175.856 176.300 -0.302 0.000 1.044 180 R CA -0.150 55.753 56.100 -0.329 0.000 1.105 180 R CB 0.748 30.673 30.300 -0.626 0.000 0.989 180 R HN 0.352 nan 8.270 nan 0.000 0.447 181 V N 2.165 121.854 119.914 -0.376 0.000 2.962 181 V HA 0.397 4.517 4.120 0.000 0.000 0.313 181 V C -0.818 175.092 176.094 -0.307 0.000 1.099 181 V CA -0.834 61.368 62.300 -0.163 0.000 0.971 181 V CB 2.318 34.152 31.823 0.018 0.000 1.028 181 V HN 0.680 nan 8.190 nan 0.000 0.430 182 W N 4.049 125.452 121.300 0.172 0.000 2.411 182 W HA 0.608 5.268 4.660 0.001 0.000 0.317 182 W C -0.823 175.797 176.519 0.168 0.000 1.030 182 W CA -0.508 56.939 57.345 0.169 0.000 1.239 182 W CB 1.722 31.365 29.460 0.304 0.000 1.304 182 W HN 0.367 nan 8.180 nan 0.000 0.437 183 I N 3.933 124.657 120.570 0.258 0.000 2.353 183 I HA 0.414 4.585 4.170 0.000 0.000 0.293 183 I C -0.634 175.628 176.117 0.242 0.000 0.992 183 I CA -0.546 60.882 61.300 0.214 0.000 1.268 183 I CB 1.067 39.124 38.000 0.096 0.000 1.387 183 I HN 0.199 nan 8.210 nan 0.000 0.478 184 F N 5.310 125.322 119.950 0.103 0.000 2.574 184 F HA 0.509 5.036 4.527 0.000 0.000 0.313 184 F C -0.417 175.495 175.800 0.186 0.000 1.130 184 F CA -0.316 57.710 58.000 0.043 0.000 0.936 184 F CB 1.822 40.798 39.000 -0.041 0.000 1.219 184 F HN 0.485 nan 8.300 nan 0.000 0.445 185 T N 0.407 114.626 114.554 -0.558 0.000 2.887 185 T HA 0.457 4.807 4.350 0.000 0.000 0.288 185 T C 0.223 174.572 174.700 -0.585 0.000 1.021 185 T CA -0.007 61.863 62.100 -0.382 0.000 1.000 185 T CB 1.681 70.423 68.868 -0.210 0.000 1.034 185 T HN 0.663 nan 8.240 nan 0.000 0.467 186 T N -1.405 112.986 114.554 -0.272 0.000 3.040 186 T HA 0.444 4.795 4.350 0.000 0.000 0.266 186 T C 0.904 175.542 174.700 -0.103 0.000 1.005 186 T CA -0.065 61.935 62.100 -0.167 0.000 0.906 186 T CB 0.038 68.941 68.868 0.058 0.000 1.082 186 T HN 0.989 nan 8.240 nan 0.000 0.531 187 G N -0.321 108.403 108.800 -0.127 0.000 2.441 187 G HA2 0.509 4.469 3.960 0.000 0.000 0.334 187 G HA3 0.509 4.469 3.960 0.000 0.000 0.334 187 G C -0.344 174.499 174.900 -0.094 0.000 1.161 187 G CA -0.400 44.640 45.100 -0.100 0.000 0.935 187 G HN 0.035 nan 8.290 nan 0.000 0.488 188 D N -0.966 119.391 120.400 -0.071 0.000 2.856 188 D HA 0.110 4.750 4.640 0.000 0.000 0.283 188 D C 0.788 177.054 176.300 -0.057 0.000 1.051 188 D CA 0.590 54.553 54.000 -0.061 0.000 0.965 188 D CB 1.104 41.876 40.800 -0.045 0.000 1.201 188 D HN 0.261 nan 8.370 nan 0.000 0.474 194 R N 2.196 122.623 120.500 -0.120 0.000 2.308 194 R HA 0.265 4.605 4.340 0.000 0.000 0.305 194 R C -2.303 173.907 176.300 -0.150 0.000 1.053 194 R CA -1.361 54.636 56.100 -0.171 0.000 0.957 194 R CB 0.622 30.837 30.300 -0.141 0.000 1.022 194 R HN -0.010 nan 8.270 nan 0.000 0.461 195 P HA -0.030 nan 4.420 nan 0.000 0.272 195 P C -0.987 176.241 177.300 -0.121 0.000 1.223 195 P CA -0.389 62.576 63.100 -0.225 0.000 0.784 195 P CB 0.769 32.110 31.700 -0.598 0.000 0.923 196 L N 2.226 123.484 121.223 0.059 0.000 2.334 196 L HA 0.642 4.982 4.340 0.000 0.000 0.277 196 L C -0.621 176.337 176.870 0.146 0.000 1.075 196 L CA -0.575 54.213 54.840 -0.087 0.000 0.804 196 L CB 0.679 42.455 42.059 -0.472 0.000 1.174 196 L HN 0.485 nan 8.230 nan 0.000 0.438 197 A N 5.049 127.926 122.820 0.096 0.000 2.335 197 A HA 0.712 5.033 4.320 0.000 0.000 0.304 197 A C -1.300 176.405 177.584 0.201 0.000 1.118 197 A CA -0.552 51.630 52.037 0.243 0.000 0.757 197 A CB 1.234 20.481 19.000 0.412 0.000 1.188 197 A HN 0.515 nan 8.150 nan 0.000 0.460 198 V N 3.498 123.529 119.914 0.195 0.000 2.398 198 V HA 0.424 4.544 4.120 0.000 0.000 0.286 198 V C -0.639 175.581 176.094 0.209 0.000 1.026 198 V CA -0.331 62.088 62.300 0.199 0.000 0.868 198 V CB 1.172 33.126 31.823 0.218 0.000 0.982 198 V HN 0.746 nan 8.190 nan 0.000 0.443 199 L N 5.990 127.355 121.223 0.237 0.000 2.325 199 L HA 0.544 4.885 4.340 0.000 0.000 0.281 199 L C -0.133 176.900 176.870 0.273 0.000 1.004 199 L CA 0.185 55.169 54.840 0.240 0.000 0.823 199 L CB 1.573 43.780 42.059 0.248 0.000 1.236 199 L HN 0.477 nan 8.230 nan 0.000 0.415 200 L N 2.889 124.259 121.223 0.245 0.000 2.466 200 L HA 0.306 4.646 4.340 0.000 0.000 0.257 200 L C 0.263 177.262 176.870 0.215 0.000 1.189 200 L CA -0.712 54.250 54.840 0.203 0.000 0.813 200 L CB 0.228 42.373 42.059 0.143 0.000 1.118 200 L HN 0.619 nan 8.230 nan 0.000 0.471 201 D N 1.549 122.027 120.400 0.130 0.000 2.697 201 D HA -0.161 4.479 4.640 0.000 0.000 0.235 201 D C 1.032 177.395 176.300 0.106 0.000 1.167 201 D CA 0.959 54.996 54.000 0.061 0.000 0.656 201 D CB -0.606 40.152 40.800 -0.070 0.000 1.025 201 D HN 0.990 nan 8.370 nan 0.000 0.419 202 G N 0.306 109.237 108.800 0.218 0.000 2.551 202 G HA2 -0.114 3.846 3.960 0.000 0.000 0.216 202 G HA3 -0.114 3.846 3.960 0.000 0.000 0.216 202 G C 1.414 176.331 174.900 0.028 0.000 1.137 202 G CA 0.524 45.780 45.100 0.260 0.000 0.798 202 G HN 0.334 nan 8.290 nan 0.000 0.536 203 E N 0.235 120.486 120.200 0.085 0.000 2.268 203 E HA -0.039 4.311 4.350 0.000 0.000 0.195 203 E C 1.741 178.210 176.600 -0.218 0.000 0.995 203 E CA 0.287 56.631 56.400 -0.094 0.000 0.836 203 E CB -0.462 29.344 29.700 0.177 0.000 0.763 203 E HN 0.436 nan 8.360 nan 0.000 0.491 204 F N -0.005 119.742 119.950 -0.338 0.000 2.094 204 F HA 0.050 4.577 4.527 0.000 0.000 0.291 204 F C 1.287 176.760 175.800 -0.544 0.000 1.109 204 F CA 1.046 58.749 58.000 -0.496 0.000 1.221 204 F CB -0.298 38.272 39.000 -0.718 0.000 1.014 204 F HN -0.037 nan 8.300 nan 0.000 0.473 205 W N 0.014 121.205 121.300 -0.182 0.000 2.848 205 W HA 0.089 4.749 4.660 0.000 0.000 0.241 205 W C 2.069 178.111 176.519 -0.796 0.000 1.289 205 W CA 0.411 57.515 57.345 -0.402 0.000 1.396 205 W CB -0.501 28.822 29.460 -0.228 0.000 1.138 205 W HN 0.114 nan 8.180 nan 0.000 0.677 206 A N -0.127 122.307 122.820 -0.644 0.000 1.881 206 A HA -0.039 4.281 4.320 0.000 0.000 0.210 206 A C 1.904 179.086 177.584 -0.669 0.000 1.239 206 A CA 0.937 52.425 52.037 -0.916 0.000 0.629 206 A CB -0.167 17.892 19.000 -1.568 0.000 0.906 206 A HN 0.266 nan 8.150 nan 0.000 0.460 207 Q N -0.708 118.763 119.800 -0.549 0.000 2.389 207 Q HA 0.202 4.542 4.340 0.000 0.000 0.201 207 Q C 0.818 176.607 176.000 -0.352 0.000 0.956 207 Q CA 0.249 55.854 55.803 -0.330 0.000 0.871 207 Q CB 0.136 28.760 28.738 -0.189 0.000 0.990 207 Q HN 0.478 nan 8.270 nan 0.000 0.554 211 V N 1.065 120.324 119.914 -1.092 0.000 3.578 211 V HA 0.088 4.208 4.120 0.000 0.000 0.290 211 V C 0.919 176.567 176.094 -0.743 0.000 1.376 211 V CA 0.070 61.879 62.300 -0.818 0.000 1.083 211 V CB -0.281 31.146 31.823 -0.661 0.000 0.911 211 V HN 0.656 nan 8.190 nan 0.000 0.433 212 W N 1.160 122.134 121.300 -0.544 0.000 2.353 212 W HA -0.083 4.577 4.660 0.000 0.000 0.319 212 W C -0.123 176.195 176.519 -0.335 0.000 1.207 212 W CA 1.284 58.205 57.345 -0.707 0.000 1.291 212 W CB -2.127 26.817 29.460 -0.860 0.000 1.159 212 W HN 0.268 nan 8.180 nan 0.000 0.478 213 P HA -0.153 nan 4.420 nan 0.000 0.220 213 P C 1.596 178.791 177.300 -0.176 0.000 1.148 213 P CA 1.455 64.512 63.100 -0.072 0.000 0.803 213 P CB -0.196 31.451 31.700 -0.089 0.000 0.782 214 V N -0.470 119.208 119.914 -0.394 0.000 2.270 214 V HA -0.218 3.902 4.120 0.000 0.000 0.245 214 V C 2.436 178.338 176.094 -0.320 0.000 1.043 214 V CA 1.688 63.653 62.300 -0.559 0.000 1.014 214 V CB -1.278 29.842 31.823 -1.172 0.000 0.645 214 V HN 0.045 nan 8.190 nan 0.000 0.447 215 L N -0.294 120.787 121.223 -0.236 0.000 2.056 215 L HA -0.147 4.194 4.340 0.000 0.000 0.207 215 L C 2.640 179.560 176.870 0.083 0.000 1.078 215 L CA 1.832 56.634 54.840 -0.064 0.000 0.749 215 L CB -1.231 40.778 42.059 -0.084 0.000 0.901 215 L HN 0.359 nan 8.230 nan 0.000 0.433 216 T N -0.868 113.766 114.554 0.132 0.000 2.580 216 T HA -0.305 4.045 4.350 0.000 0.000 0.265 216 T C 2.105 176.865 174.700 0.100 0.000 1.063 216 T CA 1.954 64.138 62.100 0.141 0.000 1.170 216 T CB -0.526 68.424 68.868 0.137 0.000 0.863 216 T HN 0.392 nan 8.240 nan 0.000 0.418 217 S N 1.162 116.889 115.700 0.045 0.000 2.380 217 S HA -0.175 4.295 4.470 0.000 0.000 0.229 217 S C 2.081 176.724 174.600 0.072 0.000 1.050 217 S CA 1.681 59.913 58.200 0.053 0.000 1.100 217 S CB -0.750 62.438 63.200 -0.019 0.000 0.984 217 S HN 0.460 nan 8.310 nan 0.000 0.434 218 L N 0.475 121.715 121.223 0.028 0.000 2.131 218 L HA -0.081 4.260 4.340 0.000 0.000 0.210 218 L C 2.809 179.740 176.870 0.102 0.000 1.092 218 L CA 1.664 56.530 54.840 0.043 0.000 0.759 218 L CB -0.822 41.249 42.059 0.020 0.000 0.903 218 L HN 0.413 nan 8.230 nan 0.000 0.435 219 T N -2.714 111.923 114.554 0.138 0.000 2.809 219 T HA -0.188 4.162 4.350 0.000 0.000 0.260 219 T C 1.817 176.608 174.700 0.152 0.000 1.039 219 T CA 0.829 63.024 62.100 0.158 0.000 1.141 219 T CB -0.369 68.595 68.868 0.160 0.000 0.869 219 T HN 0.421 nan 8.240 nan 0.000 0.437 220 H N 1.748 120.848 119.070 0.051 0.000 2.394 220 H HA -0.064 4.492 4.556 0.000 0.000 0.297 220 H C 1.548 176.896 175.328 0.033 0.000 1.113 220 H CA 1.252 57.321 56.048 0.035 0.000 1.277 220 H CB 0.147 29.924 29.762 0.026 0.000 1.370 220 H HN 0.220 nan 8.280 nan 0.000 0.506 221 R N 0.488 120.967 120.500 -0.035 0.000 2.426 221 R HA 0.031 4.371 4.340 0.000 0.000 0.263 221 R C -0.049 176.213 176.300 -0.062 0.000 0.961 221 R CA 0.153 56.184 56.100 -0.115 0.000 1.086 221 R CB 0.380 30.650 30.300 -0.051 0.000 1.186 221 R HN 0.439 nan 8.270 nan 0.000 0.537 222 Q N 0.257 120.057 119.800 0.001 0.000 2.452 222 Q HA -0.244 4.096 4.340 0.000 0.000 0.318 222 Q C 0.497 176.461 176.000 -0.060 0.000 1.386 222 Q CA 0.487 56.324 55.803 0.056 0.000 0.872 222 Q CB -0.981 27.777 28.738 0.035 0.000 1.151 222 Q HN 0.342 nan 8.270 nan 0.000 0.417 223 Q N -0.688 119.108 119.800 -0.006 0.000 2.390 223 Q HA 0.233 4.573 4.340 0.000 0.000 0.216 223 Q C 0.387 176.459 176.000 0.120 0.000 0.916 223 Q CA 0.816 56.575 55.803 -0.074 0.000 0.911 223 Q CB 0.721 29.442 28.738 -0.029 0.000 1.035 223 Q HN 0.495 nan 8.270 nan 0.000 0.541 224 L N 1.090 122.493 121.223 0.300 0.000 2.341 224 L HA 0.483 4.823 4.340 0.000 0.000 0.267 224 L C -2.431 174.667 176.870 0.380 0.000 1.009 224 L CA -2.256 52.872 54.840 0.479 0.000 0.819 224 L CB 1.534 43.876 42.059 0.472 0.000 1.323 224 L HN -0.143 nan 8.230 nan 0.000 0.425 225 P HA 0.265 nan 4.420 nan 0.000 0.277 225 P C -2.601 174.603 177.300 -0.160 0.000 1.240 225 P CA -1.577 61.430 63.100 -0.154 0.000 0.798 225 P CB -0.151 31.251 31.700 -0.497 0.000 0.979 226 P HA 0.235 nan 4.420 nan 0.000 0.264 226 P C -0.758 176.373 177.300 -0.283 0.000 1.183 226 P CA 0.799 63.816 63.100 -0.137 0.000 0.763 226 P CB 0.178 31.809 31.700 -0.115 0.000 0.807 227 A N 2.370 125.011 122.820 -0.298 0.000 2.588 227 A HA 0.634 4.955 4.320 0.000 0.000 0.290 227 A C -1.365 175.968 177.584 -0.419 0.000 1.136 227 A CA -0.549 51.194 52.037 -0.489 0.000 0.681 227 A CB 1.023 19.502 19.000 -0.869 0.000 1.282 227 A HN 0.240 nan 8.150 nan 0.000 0.421 228 V N 0.713 120.396 119.914 -0.384 0.000 2.398 228 V HA 0.503 4.624 4.120 0.000 0.000 0.286 228 V C -1.286 174.647 176.094 -0.268 0.000 1.026 228 V CA -0.270 61.895 62.300 -0.224 0.000 0.868 228 V CB 0.600 32.367 31.823 -0.094 0.000 0.982 228 V HN 0.677 nan 8.190 nan 0.000 0.443 229 Y N 2.726 123.108 120.300 0.137 0.000 2.352 229 Y HA 0.661 5.211 4.550 0.000 0.000 0.339 229 Y C -0.042 175.987 175.900 0.216 0.000 0.992 229 Y CA -0.948 57.291 58.100 0.230 0.000 1.100 229 Y CB 2.150 40.843 38.460 0.388 0.000 1.192 229 Y HN 0.354 nan 8.280 nan 0.000 0.458 230 V N 5.504 125.602 119.914 0.306 0.000 2.349 230 V HA 0.284 4.404 4.120 0.000 0.000 0.284 230 V C -0.861 175.417 176.094 0.308 0.000 1.014 230 V CA -0.693 61.754 62.300 0.245 0.000 0.826 230 V CB 1.103 32.968 31.823 0.070 0.000 1.009 230 V HN 0.470 nan 8.190 nan 0.000 0.431 231 L N 6.434 127.914 121.223 0.428 0.000 2.260 231 L HA 0.504 4.844 4.340 0.000 0.000 0.289 231 L C -0.032 177.133 176.870 0.491 0.000 1.057 231 L CA 0.174 55.294 54.840 0.468 0.000 0.811 231 L CB 1.053 43.442 42.059 0.550 0.000 1.184 231 L HN 0.461 nan 8.230 nan 0.000 0.429 232 I N 2.893 123.690 120.570 0.378 0.000 2.297 232 I HA 0.140 4.310 4.170 0.000 0.000 0.291 232 I C 0.212 176.552 176.117 0.372 0.000 1.033 232 I CA -0.736 60.778 61.300 0.356 0.000 1.253 232 I CB 0.944 39.130 38.000 0.310 0.000 1.396 232 I HN 0.506 nan 8.210 nan 0.000 0.476 233 D N 5.424 126.073 120.400 0.415 0.000 2.493 233 D HA 0.068 4.708 4.640 0.000 0.000 0.240 233 D C 0.808 177.229 176.300 0.203 0.000 1.142 233 D CA 0.212 54.428 54.000 0.360 0.000 0.872 233 D CB 1.437 42.428 40.800 0.318 0.000 1.173 233 D HN 0.648 nan 8.370 nan 0.000 0.467 234 A N 4.095 126.999 122.820 0.139 0.000 2.275 234 A HA 0.233 4.553 4.320 0.000 0.000 0.212 234 A C 1.757 179.352 177.584 0.018 0.000 1.201 234 A CA 0.297 52.370 52.037 0.059 0.000 0.843 234 A CB -0.488 18.530 19.000 0.031 0.000 0.873 234 A HN 0.792 nan 8.150 nan 0.000 0.492 235 I N -1.729 118.844 120.570 0.005 0.000 4.788 235 I HA -0.401 3.769 4.170 0.000 0.000 0.041 235 I C 0.206 176.295 176.117 -0.047 0.000 0.631 235 I CA 2.031 63.272 61.300 -0.098 0.000 0.589 235 I CB -1.310 36.476 38.000 -0.358 0.000 0.571 235 I HN 0.661 nan 8.210 nan 0.000 0.153 236 D N -1.842 118.562 120.400 0.006 0.000 2.792 236 D HA 0.273 4.913 4.640 0.000 0.000 0.335 236 D C 0.196 176.544 176.300 0.079 0.000 1.353 236 D CA 0.161 54.194 54.000 0.054 0.000 0.839 236 D CB 0.531 41.375 40.800 0.073 0.000 1.396 236 D HN 0.067 nan 8.370 nan 0.000 0.479 237 T N -0.554 114.026 114.554 0.042 0.000 2.759 237 T HA -0.112 4.238 4.350 0.000 0.000 0.269 237 T C 1.556 176.259 174.700 0.005 0.000 1.042 237 T CA 2.436 64.539 62.100 0.006 0.000 1.140 237 T CB -0.524 68.332 68.868 -0.020 0.000 0.864 237 T HN 0.584 nan 8.240 nan 0.000 0.455 238 T N 0.619 115.188 114.554 0.025 0.000 2.809 238 T HA -0.039 4.311 4.350 0.000 0.000 0.260 238 T C 1.735 176.373 174.700 -0.103 0.000 1.039 238 T CA 1.104 63.156 62.100 -0.079 0.000 1.141 238 T CB -0.380 68.450 68.868 -0.063 0.000 0.869 238 T HN 0.505 nan 8.240 nan 0.000 0.437 239 H N 0.743 119.812 119.070 -0.002 0.000 2.421 239 H HA 0.111 4.667 4.556 0.000 0.000 0.298 239 H C 2.454 177.756 175.328 -0.043 0.000 1.087 239 H CA 1.153 57.209 56.048 0.013 0.000 1.330 239 H CB -0.031 29.727 29.762 -0.007 0.000 1.388 239 H HN 0.133 nan 8.280 nan 0.000 0.526 240 R N 0.217 120.763 120.500 0.077 0.000 2.090 240 R HA 0.022 4.363 4.340 0.000 0.000 0.228 240 R C 2.020 178.358 176.300 0.063 0.000 1.110 240 R CA 0.931 57.044 56.100 0.022 0.000 0.973 240 R CB -0.025 30.295 30.300 0.034 0.000 0.869 240 R HN 0.344 nan 8.270 nan 0.000 0.440 241 A N -1.096 121.772 122.820 0.079 0.000 2.169 241 A HA -0.037 4.283 4.320 0.000 0.000 0.212 241 A C 1.236 178.789 177.584 -0.051 0.000 1.153 241 A CA 0.722 52.881 52.037 0.204 0.000 0.756 241 A CB -0.281 18.822 19.000 0.171 0.000 0.813 241 A HN 0.443 nan 8.150 nan 0.000 0.471 242 H N -1.640 117.394 119.070 -0.059 0.000 2.516 242 H HA 0.130 4.686 4.556 0.000 0.000 0.284 242 H C 1.856 177.047 175.328 -0.228 0.000 0.999 242 H CA 0.991 56.968 56.048 -0.118 0.000 1.303 242 H CB 0.455 30.157 29.762 -0.100 0.000 1.452 242 H HN 0.528 nan 8.280 nan 0.000 0.530 243 E N 0.183 120.279 120.200 -0.174 0.000 2.201 243 E HA 0.026 4.376 4.350 0.000 0.000 0.193 243 E C 1.845 178.047 176.600 -0.663 0.000 0.957 243 E CA 0.047 56.209 56.400 -0.396 0.000 0.858 243 E CB 0.479 29.894 29.700 -0.476 0.000 0.816 243 E HN 0.287 nan 8.360 nan 0.000 0.475 244 L N 1.268 122.122 121.223 -0.615 0.000 2.027 244 L HA -0.017 4.324 4.340 0.000 0.000 0.206 244 L C -1.343 175.130 176.870 -0.661 0.000 1.074 244 L CA 0.563 55.055 54.840 -0.580 0.000 0.745 244 L CB -1.046 40.785 42.059 -0.379 0.000 0.898 244 L HN 0.007 nan 8.230 nan 0.000 0.433 245 P HA 0.162 nan 4.420 nan 0.000 0.266 245 P C -0.196 176.312 177.300 -1.319 0.000 1.586 245 P CA -0.210 61.975 63.100 -1.525 0.000 1.088 245 P CB 0.164 30.277 31.700 -2.646 0.000 1.584 246 C N 1.222 119.898 119.300 -1.040 0.000 4.356 246 C HA -0.154 4.306 4.460 0.000 0.000 0.296 246 C C 0.825 175.280 174.990 -0.891 0.000 1.424 246 C CA 0.075 58.243 59.018 -1.416 0.000 2.000 246 C CB -3.088 24.086 27.740 -0.942 0.000 1.262 246 C HN 0.612 nan 8.230 nan 0.000 0.789 247 N N 0.306 118.746 118.700 -0.434 0.000 2.437 247 N HA 0.544 5.284 4.740 0.000 0.000 0.243 247 N C 0.829 176.534 175.510 0.325 0.000 1.041 247 N CA 0.530 53.550 53.050 -0.049 0.000 0.940 247 N CB 1.230 39.689 38.487 -0.047 0.000 1.133 247 N HN 0.503 nan 8.380 nan 0.000 0.506 248 A N 3.361 126.430 122.820 0.414 0.000 1.908 248 A HA -0.154 4.166 4.320 0.000 0.000 0.218 248 A C 1.602 179.454 177.584 0.448 0.000 1.181 248 A CA 1.352 53.781 52.037 0.653 0.000 0.627 248 A CB -0.183 19.129 19.000 0.520 0.000 0.818 248 A HN 0.680 nan 8.150 nan 0.000 0.445 249 D N -1.747 118.824 120.400 0.285 0.000 2.312 249 D HA -0.062 4.578 4.640 0.000 0.000 0.211 249 D C 1.477 177.871 176.300 0.157 0.000 0.964 249 D CA 0.725 54.836 54.000 0.185 0.000 0.877 249 D CB -0.119 40.757 40.800 0.125 0.000 0.924 249 D HN 0.560 nan 8.370 nan 0.000 0.515 250 F N -0.583 119.392 119.950 0.041 0.000 2.128 250 F HA -0.124 4.404 4.527 0.000 0.000 0.295 250 F C 1.777 177.503 175.800 -0.123 0.000 1.100 250 F CA 1.155 59.099 58.000 -0.092 0.000 1.260 250 F CB -0.303 38.550 39.000 -0.246 0.000 1.009 250 F HN -0.102 nan 8.300 nan 0.000 0.476 251 W N 0.635 121.901 121.300 -0.058 0.000 2.584 251 W HA 0.032 4.692 4.660 0.000 0.000 0.264 251 W C 2.043 178.269 176.519 -0.488 0.000 1.264 251 W CA 0.435 57.569 57.345 -0.352 0.000 1.306 251 W CB -0.286 28.972 29.460 -0.336 0.000 1.110 251 W HN 0.021 nan 8.180 nan 0.000 0.606 252 L N -0.221 120.919 121.223 -0.138 0.000 2.093 252 L HA -0.143 4.197 4.340 0.000 0.000 0.208 252 L C 2.570 179.405 176.870 -0.059 0.000 1.085 252 L CA 1.275 56.049 54.840 -0.110 0.000 0.755 252 L CB -1.146 40.936 42.059 0.038 0.000 0.904 252 L HN -0.000 nan 8.230 nan 0.000 0.435 253 A N -0.031 122.766 122.820 -0.037 0.000 1.968 253 A HA -0.115 4.205 4.320 0.000 0.000 0.217 253 A C 2.294 179.934 177.584 0.094 0.000 1.169 253 A CA 1.484 53.576 52.037 0.091 0.000 0.638 253 A CB -0.621 18.459 19.000 0.134 0.000 0.812 253 A HN 0.319 nan 8.150 nan 0.000 0.446 254 V N -2.292 117.507 119.914 -0.192 0.000 2.591 254 V HA -0.181 3.939 4.120 0.000 0.000 0.249 254 V C 1.954 177.928 176.094 -0.200 0.000 1.053 254 V CA 2.152 64.211 62.300 -0.401 0.000 1.068 254 V CB -0.757 30.740 31.823 -0.543 0.000 0.689 254 V HN 0.577 nan 8.190 nan 0.000 0.462 255 Q N -0.174 119.573 119.800 -0.089 0.000 2.096 255 Q HA -0.084 4.256 4.340 0.000 0.000 0.197 255 Q C 2.375 178.339 176.000 -0.060 0.000 0.964 255 Q CA 1.955 57.725 55.803 -0.054 0.000 0.838 255 Q CB -0.018 28.655 28.738 -0.107 0.000 0.906 255 Q HN 0.757 nan 8.270 nan 0.000 0.444 256 Q N -0.715 119.057 119.800 -0.047 0.000 2.391 256 Q HA -0.012 4.328 4.340 0.000 0.000 0.211 256 Q C 1.121 177.119 176.000 -0.004 0.000 0.908 256 Q CA 0.547 56.340 55.803 -0.016 0.000 0.920 256 Q CB 0.604 29.346 28.738 0.007 0.000 1.056 256 Q HN 0.334 nan 8.270 nan 0.000 0.523 257 E N 0.072 120.272 120.200 -0.001 0.000 2.207 257 E HA -0.016 4.335 4.350 0.000 0.000 0.197 257 E C 1.573 178.069 176.600 -0.174 0.000 0.914 257 E CA 0.028 56.446 56.400 0.030 0.000 0.914 257 E CB 0.146 30.017 29.700 0.286 0.000 0.893 257 E HN 0.008 nan 8.360 nan 0.000 0.479 258 L N 1.553 122.488 121.223 -0.480 0.000 2.007 258 L HA -0.046 4.295 4.340 0.000 0.000 0.205 258 L C 2.113 178.773 176.870 -0.350 0.000 1.073 258 L CA 1.450 55.827 54.840 -0.772 0.000 0.744 258 L CB -0.378 40.849 42.059 -1.386 0.000 0.898 258 L HN 0.129 nan 8.230 nan 0.000 0.435 259 L N -0.364 120.734 121.223 -0.209 0.000 2.013 259 L HA -0.195 4.145 4.340 0.000 0.000 0.212 259 L C -0.008 176.915 176.870 0.088 0.000 1.073 259 L CA 1.664 56.504 54.840 -0.001 0.000 0.753 259 L CB -2.159 39.962 42.059 0.103 0.000 0.890 259 L HN 0.249 nan 8.230 nan 0.000 0.432 260 P HA -0.222 nan 4.420 nan 0.000 0.215 260 P C 1.781 179.073 177.300 -0.013 0.000 1.157 260 P CA 1.282 64.376 63.100 -0.009 0.000 0.874 260 P CB -0.042 31.641 31.700 -0.029 0.000 0.790 261 L N -0.734 120.462 121.223 -0.046 0.000 2.083 261 L HA -0.117 4.223 4.340 0.000 0.000 0.209 261 L C 2.108 178.967 176.870 -0.017 0.000 1.083 261 L CA 1.897 56.711 54.840 -0.044 0.000 0.752 261 L CB -1.204 40.808 42.059 -0.079 0.000 0.899 261 L HN -0.184 nan 8.230 nan 0.000 0.433 262 V N -0.209 119.704 119.914 -0.002 0.000 2.453 262 V HA -0.236 3.884 4.120 0.000 0.000 0.247 262 V C 2.564 178.762 176.094 0.175 0.000 1.048 262 V CA 1.850 64.186 62.300 0.060 0.000 1.049 262 V CB -0.598 31.242 31.823 0.029 0.000 0.672 262 V HN 0.522 nan 8.190 nan 0.000 0.457 263 K N -0.263 120.277 120.400 0.232 0.000 2.515 263 K HA -0.061 4.259 4.320 0.000 0.000 0.196 263 K C 1.549 178.144 176.600 -0.009 0.000 1.038 263 K CA 0.721 57.061 56.287 0.090 0.000 0.967 263 K CB 0.127 32.538 32.500 -0.148 0.000 0.780 263 K HN 0.373 nan 8.250 nan 0.000 0.483 264 V N 0.431 120.349 119.914 0.006 0.000 3.307 264 V HA -0.028 4.092 4.120 0.000 0.000 0.253 264 V C 1.791 177.881 176.094 -0.005 0.000 1.149 264 V CA 0.747 63.038 62.300 -0.014 0.000 1.112 264 V CB -0.025 31.788 31.823 -0.018 0.000 0.777 264 V HN 0.283 nan 8.190 nan 0.000 0.464 265 I N 0.165 120.742 120.570 0.012 0.000 2.556 265 I HA 0.244 4.414 4.170 0.000 0.000 0.251 265 I C 1.057 177.182 176.117 0.013 0.000 1.105 265 I CA 1.053 62.358 61.300 0.008 0.000 1.436 265 I CB 0.089 38.094 38.000 0.008 0.000 1.139 265 I HN 0.286 nan 8.210 nan 0.000 0.438 266 A N 1.807 124.654 122.820 0.045 0.000 2.679 266 A HA 0.571 4.892 4.320 0.000 0.000 0.288 266 A C -2.724 174.932 177.584 0.120 0.000 1.160 266 A CA -1.015 51.050 52.037 0.047 0.000 0.763 266 A CB 0.296 19.313 19.000 0.028 0.000 1.270 266 A HN -0.121 nan 8.150 nan 0.000 0.417 267 P HA 0.485 nan 4.420 nan 0.000 0.271 267 P C -0.604 176.751 177.300 0.091 0.000 1.216 267 P CA 0.223 63.326 63.100 0.006 0.000 0.771 267 P CB 0.264 31.916 31.700 -0.080 0.000 0.864 268 F N -0.662 119.238 119.950 -0.083 0.000 2.661 268 F HA 0.725 5.253 4.527 0.000 0.000 0.347 268 F C 0.424 176.169 175.800 -0.091 0.000 1.086 268 F CA -1.836 56.106 58.000 -0.097 0.000 1.016 268 F CB 0.025 38.976 39.000 -0.082 0.000 1.368 268 F HN 0.124 nan 8.300 nan 0.000 0.505 269 S N -0.339 115.383 115.700 0.037 0.000 2.580 269 S HA 0.182 4.652 4.470 0.000 0.000 0.274 269 S C 0.146 174.728 174.600 -0.031 0.000 1.329 269 S CA -0.496 57.672 58.200 -0.053 0.000 1.036 269 S CB 0.168 63.348 63.200 -0.034 0.000 0.919 269 S HN 0.638 nan 8.310 nan 0.000 0.515 270 D N 2.496 122.832 120.400 -0.107 0.000 2.342 270 D HA 0.093 4.734 4.640 0.000 0.000 0.221 270 D C 0.017 176.294 176.300 -0.038 0.000 1.101 270 D CA 0.090 54.035 54.000 -0.092 0.000 0.837 270 D CB 0.212 40.925 40.800 -0.145 0.000 0.938 270 D HN 0.482 nan 8.370 nan 0.000 0.508 271 R N 0.746 121.238 120.500 -0.013 0.000 2.347 271 R HA 0.326 4.666 4.340 0.000 0.000 0.304 271 R C 1.047 177.364 176.300 0.029 0.000 1.072 271 R CA -0.150 55.950 56.100 0.001 0.000 0.980 271 R CB 1.081 31.382 30.300 0.002 0.000 0.986 271 R HN -0.071 nan 8.270 nan 0.000 0.448 272 A N 3.314 126.144 122.820 0.016 0.000 1.969 272 A HA -0.193 4.127 4.320 0.000 0.000 0.218 272 A C 1.468 179.099 177.584 0.078 0.000 1.169 272 A CA 1.659 53.712 52.037 0.027 0.000 0.635 272 A CB -0.242 18.766 19.000 0.012 0.000 0.810 272 A HN 0.829 nan 8.150 nan 0.000 0.445 273 D N -0.042 120.401 120.400 0.071 0.000 2.378 273 D HA -0.140 4.501 4.640 0.000 0.000 0.227 273 D C 1.260 177.647 176.300 0.145 0.000 1.012 273 D CA 1.012 55.068 54.000 0.094 0.000 0.905 273 D CB -0.353 40.485 40.800 0.063 0.000 0.895 273 D HN 0.713 nan 8.370 nan 0.000 0.532 274 R N -1.597 119.001 120.500 0.163 0.000 2.566 274 R HA 0.248 4.589 4.340 0.000 0.000 0.388 274 R C -0.465 176.047 176.300 0.353 0.000 0.989 274 R CA -0.526 55.732 56.100 0.264 0.000 1.164 274 R CB -0.224 30.151 30.300 0.124 0.000 1.459 274 R HN -0.188 nan 8.270 nan 0.000 0.553 275 T N 1.631 116.346 114.554 0.269 0.000 2.743 275 T HA 0.375 4.725 4.350 0.000 0.000 0.293 275 T C -0.361 174.532 174.700 0.321 0.000 0.945 275 T CA -0.319 61.958 62.100 0.296 0.000 1.030 275 T CB 1.832 70.826 68.868 0.210 0.000 0.912 275 T HN -0.025 nan 8.240 nan 0.000 0.483 276 V N 4.410 124.506 119.914 0.303 0.000 2.547 276 V HA 0.601 4.721 4.120 0.000 0.000 0.299 276 V C 0.060 176.251 176.094 0.161 0.000 1.040 276 V CA -0.862 61.523 62.300 0.142 0.000 0.913 276 V CB 1.762 33.513 31.823 -0.119 0.000 0.992 276 V HN 0.762 nan 8.190 nan 0.000 0.449 277 V N 1.177 121.132 119.914 0.069 0.000 2.495 277 V HA 0.991 5.111 4.120 0.000 0.000 0.298 277 V C -0.064 176.037 176.094 0.011 0.000 1.031 277 V CA -0.767 61.544 62.300 0.018 0.000 0.871 277 V CB 1.176 32.870 31.823 -0.214 0.000 0.988 277 V HN 1.073 nan 8.190 nan 0.000 0.432 278 A N 3.016 125.868 122.820 0.052 0.000 2.371 278 A HA 1.058 5.378 4.320 0.000 0.000 0.311 278 A C 0.035 177.646 177.584 0.046 0.000 1.068 278 A CA -0.047 51.992 52.037 0.004 0.000 0.744 278 A CB 1.758 20.722 19.000 -0.060 0.000 1.239 278 A HN 1.894 nan 8.150 nan 0.000 0.435 279 G N 0.456 109.248 108.800 -0.014 0.000 2.698 279 G HA2 0.578 4.538 3.960 0.000 0.000 0.293 279 G HA3 0.578 4.538 3.960 0.000 0.000 0.293 279 G C -1.786 173.001 174.900 -0.187 0.000 1.437 279 G CA -0.586 44.499 45.100 -0.025 0.000 0.852 279 G HN 0.721 nan 8.290 nan 0.000 0.499 280 Q N 0.115 119.736 119.800 -0.299 0.000 2.377 280 Q HA 0.705 5.045 4.340 0.000 0.000 0.271 280 Q C 0.766 176.494 176.000 -0.453 0.000 1.077 280 Q CA 0.070 55.468 55.803 -0.674 0.000 0.820 280 Q CB 2.224 30.104 28.738 -1.430 0.000 1.347 280 Q HN 1.698 nan 8.270 nan 0.000 0.444 281 S N 0.492 115.968 115.700 -0.373 0.000 4.155 281 S HA -0.373 4.097 4.470 0.000 0.000 0.552 281 S C 1.072 175.703 174.600 0.052 0.000 1.869 281 S CA 1.499 59.692 58.200 -0.013 0.000 4.246 281 S CB -1.373 61.915 63.200 0.146 0.000 0.245 281 S HN 0.483 nan 8.310 nan 0.000 0.461 282 F N 3.522 123.380 119.950 -0.152 0.000 2.171 282 F HA 0.219 4.746 4.527 0.000 0.000 0.300 282 F C 2.999 178.651 175.800 -0.247 0.000 1.090 282 F CA 1.214 59.066 58.000 -0.247 0.000 1.293 282 F CB -1.583 37.290 39.000 -0.211 0.000 1.013 282 F HN 0.703 nan 8.300 nan 0.000 0.486 283 G N -0.740 108.057 108.800 -0.006 0.000 2.432 283 G HA2 -0.146 3.815 3.960 0.000 0.000 0.219 283 G HA3 -0.146 3.815 3.960 0.000 0.000 0.219 283 G C 2.026 176.899 174.900 -0.045 0.000 1.135 283 G CA 0.819 45.902 45.100 -0.028 0.000 0.767 283 G HN 0.521 nan 8.290 nan 0.000 0.550 284 G N 0.927 109.652 108.800 -0.126 0.000 2.394 284 G HA2 -0.078 3.882 3.960 0.000 0.000 0.214 284 G HA3 -0.078 3.882 3.960 0.000 0.000 0.214 284 G C 1.734 176.564 174.900 -0.116 0.000 1.176 284 G CA 0.985 46.014 45.100 -0.118 0.000 0.786 284 G HN 0.457 nan 8.290 nan 0.000 0.533 285 L N 0.713 121.748 121.223 -0.312 0.000 2.093 285 L HA 0.092 4.432 4.340 0.000 0.000 0.208 285 L C 2.712 179.506 176.870 -0.127 0.000 1.085 285 L CA 2.461 57.064 54.840 -0.395 0.000 0.755 285 L CB -0.749 40.927 42.059 -0.637 0.000 0.904 285 L HN 0.175 nan 8.230 nan 0.000 0.435 286 S N -0.569 115.065 115.700 -0.110 0.000 2.359 286 S HA -0.197 4.273 4.470 0.000 0.000 0.224 286 S C 2.130 176.851 174.600 0.201 0.000 1.035 286 S CA 1.344 59.620 58.200 0.128 0.000 1.018 286 S CB -0.541 62.761 63.200 0.169 0.000 0.876 286 S HN 0.734 nan 8.310 nan 0.000 0.448 287 A N 1.662 124.548 122.820 0.108 0.000 1.877 287 A HA 0.012 4.332 4.320 0.000 0.000 0.216 287 A C 2.201 179.734 177.584 -0.084 0.000 1.186 287 A CA 1.370 53.383 52.037 -0.040 0.000 0.620 287 A CB -0.894 18.112 19.000 0.009 0.000 0.822 287 A HN 0.543 nan 8.150 nan 0.000 0.443 288 L N -1.517 119.742 121.223 0.060 0.000 2.012 288 L HA -0.206 4.134 4.340 0.000 0.000 0.210 288 L C 2.467 179.392 176.870 0.092 0.000 1.073 288 L CA 2.601 57.510 54.840 0.114 0.000 0.748 288 L CB -0.793 41.431 42.059 0.275 0.000 0.891 288 L HN 0.621 nan 8.230 nan 0.000 0.431 289 Y N 0.693 120.985 120.300 -0.014 0.000 2.207 289 Y HA -0.251 4.299 4.550 0.000 0.000 0.287 289 Y C 2.454 178.314 175.900 -0.068 0.000 1.156 289 Y CA 1.762 59.867 58.100 0.008 0.000 1.182 289 Y CB -0.286 38.164 38.460 -0.017 0.000 0.979 289 Y HN 0.255 nan 8.280 nan 0.000 0.521 290 A N -0.153 122.462 122.820 -0.341 0.000 1.933 290 A HA -0.094 4.226 4.320 0.000 0.000 0.218 290 A C 2.412 179.950 177.584 -0.077 0.000 1.175 290 A CA 1.666 53.335 52.037 -0.613 0.000 0.628 290 A CB -1.545 16.402 19.000 -1.756 0.000 0.814 290 A HN 0.568 nan 8.150 nan 0.000 0.444 291 G N -0.819 107.932 108.800 -0.082 0.000 2.551 291 G HA2 0.091 4.052 3.960 0.000 0.000 0.216 291 G HA3 0.091 4.052 3.960 0.000 0.000 0.216 291 G C 1.429 176.316 174.900 -0.022 0.000 1.137 291 G CA 0.683 45.804 45.100 0.035 0.000 0.798 291 G HN 0.426 nan 8.290 nan 0.000 0.536 292 L N -0.836 120.329 121.223 -0.097 0.000 2.209 292 L HA 0.158 4.498 4.340 0.000 0.000 0.207 292 L C 2.306 178.885 176.870 -0.485 0.000 1.094 292 L CA 0.756 55.460 54.840 -0.227 0.000 0.790 292 L CB -0.097 41.846 42.059 -0.192 0.000 0.932 292 L HN 0.157 nan 8.230 nan 0.000 0.447 293 H N -2.620 116.075 119.070 -0.625 0.000 2.639 293 H HA 0.116 4.672 4.556 0.000 0.000 0.267 293 H C -0.072 174.542 175.328 -1.190 0.000 0.958 293 H CA 0.295 55.669 56.048 -1.125 0.000 1.221 293 H CB 0.513 29.106 29.762 -1.949 0.000 1.446 293 H HN 0.173 nan 8.280 nan 0.000 0.512 294 W N 1.824 123.137 121.300 0.022 0.000 1.809 294 W HA 0.231 4.891 4.660 0.000 0.000 0.298 294 W C -2.321 174.225 176.519 0.045 0.000 0.905 294 W CA -1.699 55.678 57.345 0.054 0.000 1.872 294 W CB 0.704 30.242 29.460 0.131 0.000 2.092 294 W HN 0.077 nan 8.180 nan 0.000 0.403 295 P HA -0.199 nan 4.420 nan 0.000 0.225 295 P C 1.343 178.682 177.300 0.065 0.000 1.148 295 P CA 1.746 64.891 63.100 0.075 0.000 0.779 295 P CB 0.189 31.890 31.700 0.001 0.000 0.780 296 E N 0.070 120.307 120.200 0.061 0.000 2.442 296 E HA -0.093 4.258 4.350 0.000 0.000 0.195 296 E C 1.822 178.402 176.600 -0.034 0.000 1.030 296 E CA 0.480 56.892 56.400 0.020 0.000 0.869 296 E CB -0.151 29.566 29.700 0.027 0.000 0.857 296 E HN 0.129 nan 8.360 nan 0.000 0.505 297 R N -0.067 120.378 120.500 -0.091 0.000 2.257 297 R HA 0.244 4.584 4.340 0.000 0.000 0.195 297 R C -0.335 175.611 176.300 -0.589 0.000 0.921 297 R CA 0.400 56.266 56.100 -0.390 0.000 1.069 297 R CB 0.373 30.322 30.300 -0.586 0.000 1.115 297 R HN 0.029 nan 8.270 nan 0.000 0.571 298 F N -0.371 119.639 119.950 0.100 0.000 2.532 298 F HA 0.434 4.961 4.527 0.000 0.000 0.365 298 F C 1.031 176.863 175.800 0.054 0.000 1.112 298 F CA -0.773 57.268 58.000 0.068 0.000 1.082 298 F CB 2.169 41.181 39.000 0.020 0.000 1.319 298 F HN 0.090 nan 8.300 nan 0.000 0.457 299 G N 0.553 109.468 108.800 0.191 0.000 2.838 299 G HA2 0.057 4.017 3.960 0.000 0.000 0.210 299 G HA3 0.057 4.017 3.960 0.000 0.000 0.210 299 G C -0.147 174.832 174.900 0.133 0.000 1.153 299 G CA 0.216 45.397 45.100 0.135 0.000 0.778 299 G HN 0.552 nan 8.290 nan 0.000 0.539 300 C N 1.035 120.427 119.300 0.154 0.000 2.298 300 C HA 0.691 5.151 4.460 0.000 0.000 0.323 300 C C -0.061 174.970 174.990 0.069 0.000 1.284 300 C CA -1.004 58.075 59.018 0.103 0.000 1.577 300 C CB 0.658 28.444 27.740 0.076 0.000 2.249 300 C HN 0.032 nan 8.230 nan 0.000 0.497 301 V N 4.898 124.841 119.914 0.048 0.000 2.448 301 V HA 0.528 4.648 4.120 0.000 0.000 0.295 301 V C -0.579 175.515 176.094 0.001 0.000 1.025 301 V CA -0.391 61.922 62.300 0.022 0.000 0.859 301 V CB 1.683 33.529 31.823 0.039 0.000 0.988 301 V HN 0.653 nan 8.190 nan 0.000 0.431 302 L N 5.316 126.517 121.223 -0.035 0.000 2.345 302 L HA 0.676 5.017 4.340 0.000 0.000 0.274 302 L C -0.238 176.600 176.870 -0.054 0.000 0.999 302 L CA 0.184 54.984 54.840 -0.067 0.000 0.849 302 L CB 1.452 43.430 42.059 -0.134 0.000 1.220 302 L HN 0.607 nan 8.230 nan 0.000 0.422 303 S N 5.053 120.736 115.700 -0.028 0.000 2.640 303 S HA 0.615 5.085 4.470 0.000 0.000 0.320 303 S C -0.822 173.739 174.600 -0.065 0.000 1.097 303 S CA -0.530 57.664 58.200 -0.011 0.000 1.092 303 S CB 0.516 63.792 63.200 0.127 0.000 0.988 303 S HN 0.727 nan 8.310 nan 0.000 0.470 304 Q N 2.595 122.284 119.800 -0.185 0.000 2.282 304 Q HA 0.481 4.821 4.340 0.000 0.000 0.260 304 Q C 0.182 176.028 176.000 -0.256 0.000 0.964 304 Q CA -0.874 54.782 55.803 -0.245 0.000 0.880 304 Q CB 1.571 30.048 28.738 -0.435 0.000 1.286 304 Q HN 0.738 nan 8.270 nan 0.000 0.445 305 S N 0.839 116.520 115.700 -0.032 0.000 3.486 305 S HA -0.190 4.281 4.470 0.000 0.000 0.371 305 S C 0.523 175.177 174.600 0.091 0.000 1.001 305 S CA 0.362 58.637 58.200 0.124 0.000 1.164 305 S CB -1.377 62.017 63.200 0.323 0.000 0.911 305 S HN 0.914 nan 8.310 nan 0.000 0.472 306 G N 0.841 109.677 108.800 0.061 0.000 2.414 306 G HA2 0.326 4.286 3.960 0.000 0.000 0.236 306 G HA3 0.326 4.286 3.960 0.000 0.000 0.236 306 G C 0.172 174.909 174.900 -0.271 0.000 1.293 306 G CA -0.358 44.620 45.100 -0.203 0.000 0.869 306 G HN 0.475 nan 8.290 nan 0.000 0.556 307 S N 1.874 117.352 115.700 -0.369 0.000 4.183 307 S HA 0.099 4.569 4.470 0.000 0.000 0.195 307 S C 0.192 174.438 174.600 -0.591 0.000 1.421 307 S CA -0.256 57.804 58.200 -0.233 0.000 0.920 307 S CB -0.307 62.879 63.200 -0.022 0.000 1.525 307 S HN 0.566 nan 8.310 nan 0.000 0.447 308 Y N 0.561 120.859 120.300 -0.004 0.000 2.502 308 Y HA 0.046 4.596 4.550 0.000 0.000 0.295 308 Y C 1.757 177.713 175.900 0.093 0.000 1.193 308 Y CA -0.652 57.466 58.100 0.030 0.000 1.295 308 Y CB -0.299 38.239 38.460 0.130 0.000 1.059 308 Y HN 0.764 nan 8.280 nan 0.000 0.514 309 W N -2.020 119.461 121.300 0.302 0.000 2.523 309 W HA -0.059 4.601 4.660 0.000 0.000 0.278 309 W C 0.434 177.063 176.519 0.184 0.000 1.236 309 W CA -0.948 56.539 57.345 0.237 0.000 1.306 309 W CB -1.314 28.267 29.460 0.202 0.000 1.101 309 W HN 0.134 nan 8.180 nan 0.000 0.577 310 W N 6.279 127.040 121.300 -0.900 0.000 2.484 310 W HA -0.061 4.599 4.660 0.000 0.000 0.337 310 W C -1.544 174.746 176.519 -0.381 0.000 1.214 310 W CA -0.518 56.318 57.345 -0.848 0.000 1.296 310 W CB 0.543 29.338 29.460 -1.108 0.000 1.174 310 W HN -0.243 nan 8.180 nan 0.000 0.564 311 P HA -0.069 nan 4.420 nan 0.000 0.239 311 P C -0.381 176.763 177.300 -0.261 0.000 1.188 311 P CA 0.953 63.225 63.100 -1.380 0.000 0.794 311 P CB 0.161 30.929 31.700 -1.554 0.000 0.937 312 H N 0.927 120.073 119.070 0.126 0.000 2.819 312 H HA 0.167 4.723 4.556 0.000 0.000 0.303 312 H C 1.290 176.805 175.328 0.313 0.000 1.058 312 H CA 0.180 56.333 56.048 0.176 0.000 1.471 312 H CB 0.671 30.495 29.762 0.104 0.000 1.480 312 H HN 0.228 nan 8.280 nan 0.000 0.517 313 R N 1.478 122.086 120.500 0.180 0.000 2.300 313 R HA 0.140 4.480 4.340 0.000 0.000 0.199 313 R C 1.667 177.880 176.300 -0.144 0.000 0.920 313 R CA 0.550 56.534 56.100 -0.193 0.000 1.046 313 R CB 0.103 30.236 30.300 -0.278 0.000 0.984 313 R HN 0.507 nan 8.270 nan 0.000 0.493 314 G N 0.451 109.254 108.800 0.005 0.000 2.430 314 G HA2 0.173 4.134 3.960 0.000 0.000 0.216 314 G HA3 0.173 4.134 3.960 0.000 0.000 0.216 314 G C 1.196 176.106 174.900 0.017 0.000 1.146 314 G CA 0.467 45.565 45.100 -0.004 0.000 0.793 314 G HN 0.542 nan 8.290 nan 0.000 0.537 315 G N -0.806 108.044 108.800 0.084 0.000 2.217 315 G HA2 -0.304 3.657 3.960 0.000 0.000 0.246 315 G HA3 -0.304 3.657 3.960 0.000 0.000 0.246 315 G C 1.300 176.262 174.900 0.104 0.000 0.990 315 G CA 0.821 45.990 45.100 0.115 0.000 0.627 315 G HN 0.367 nan 8.290 nan 0.000 0.522 316 Q N 0.051 119.892 119.800 0.069 0.000 2.046 316 Q HA 0.017 4.357 4.340 0.000 0.000 0.200 316 Q C 1.488 177.504 176.000 0.026 0.000 0.975 316 Q CA 1.719 57.540 55.803 0.030 0.000 0.836 316 Q CB 0.016 28.750 28.738 -0.006 0.000 0.896 316 Q HN 0.785 nan 8.270 nan 0.000 0.428 317 Q N 0.832 120.644 119.800 0.020 0.000 2.377 317 Q HA 0.155 4.495 4.340 0.000 0.000 0.271 317 Q C -0.877 175.235 176.000 0.188 0.000 1.077 317 Q CA -0.558 55.250 55.803 0.008 0.000 0.820 317 Q CB 1.625 30.231 28.738 -0.220 0.000 1.347 317 Q HN 0.124 nan 8.270 nan 0.000 0.444 318 E N 1.518 121.828 120.200 0.183 0.000 2.481 318 E HA 0.059 4.409 4.350 0.000 0.000 0.263 318 E C 0.147 176.951 176.600 0.339 0.000 0.992 318 E CA 0.244 56.785 56.400 0.234 0.000 0.938 318 E CB 0.092 29.889 29.700 0.161 0.000 0.933 318 E HN 0.713 nan 8.360 nan 0.000 0.453 319 G N 1.348 110.316 108.800 0.282 0.000 2.664 319 G HA2 0.034 3.994 3.960 0.000 0.000 0.242 319 G HA3 0.034 3.994 3.960 0.000 0.000 0.242 319 G C 0.836 175.822 174.900 0.145 0.000 1.225 319 G CA -0.300 44.907 45.100 0.179 0.000 0.849 319 G HN 0.441 nan 8.290 nan 0.000 0.581 320 V N 1.252 121.205 119.914 0.066 0.000 2.407 320 V HA -0.137 3.983 4.120 0.000 0.000 0.248 320 V C 2.855 179.052 176.094 0.172 0.000 1.055 320 V CA 1.883 64.246 62.300 0.106 0.000 1.049 320 V CB -0.434 31.439 31.823 0.084 0.000 0.662 320 V HN 0.578 nan 8.190 nan 0.000 0.455 321 L N -0.902 120.451 121.223 0.216 0.000 2.017 321 L HA -0.133 4.207 4.340 0.000 0.000 0.208 321 L C 2.195 179.165 176.870 0.166 0.000 1.073 321 L CA 1.895 56.871 54.840 0.227 0.000 0.745 321 L CB -0.554 41.678 42.059 0.289 0.000 0.894 321 L HN 0.244 nan 8.230 nan 0.000 0.432 322 L N -0.915 120.401 121.223 0.156 0.000 2.013 322 L HA -0.280 4.060 4.340 0.000 0.000 0.212 322 L C 2.592 179.520 176.870 0.097 0.000 1.073 322 L CA 1.545 56.451 54.840 0.109 0.000 0.753 322 L CB -0.532 41.600 42.059 0.121 0.000 0.890 322 L HN 0.342 nan 8.230 nan 0.000 0.432 323 E N -0.097 120.172 120.200 0.115 0.000 2.085 323 E HA -0.269 4.081 4.350 0.000 0.000 0.194 323 E C 2.187 178.837 176.600 0.083 0.000 0.994 323 E CA 1.418 57.876 56.400 0.098 0.000 0.801 323 E CB 0.048 29.816 29.700 0.113 0.000 0.743 323 E HN 0.469 nan 8.360 nan 0.000 0.453 324 K N 0.071 120.530 120.400 0.099 0.000 2.155 324 K HA -0.070 4.250 4.320 0.000 0.000 0.203 324 K C 2.236 178.866 176.600 0.049 0.000 1.052 324 K CA 0.557 56.896 56.287 0.087 0.000 0.948 324 K CB 0.020 32.599 32.500 0.131 0.000 0.728 324 K HN 0.072 nan 8.250 nan 0.000 0.448 325 L N 1.154 122.405 121.223 0.047 0.000 1.988 325 L HA -0.187 4.153 4.340 0.000 0.000 0.207 325 L C 2.281 179.158 176.870 0.012 0.000 1.071 325 L CA 1.460 56.310 54.840 0.016 0.000 0.744 325 L CB -0.409 41.660 42.059 0.017 0.000 0.893 325 L HN 0.044 nan 8.230 nan 0.000 0.433 326 K N 0.182 120.596 120.400 0.024 0.000 2.059 326 K HA -0.232 4.088 4.320 0.000 0.000 0.212 326 K C 2.114 178.724 176.600 0.016 0.000 1.050 326 K CA 1.714 58.012 56.287 0.019 0.000 0.927 326 K CB -0.416 32.101 32.500 0.028 0.000 0.714 326 K HN 0.339 nan 8.250 nan 0.000 0.447 327 A N 0.353 123.187 122.820 0.024 0.000 2.067 327 A HA 0.043 4.364 4.320 0.000 0.000 0.219 327 A C 1.411 179.001 177.584 0.009 0.000 1.158 327 A CA 1.198 53.247 52.037 0.020 0.000 0.661 327 A CB -0.532 18.487 19.000 0.031 0.000 0.801 327 A HN 0.485 nan 8.150 nan 0.000 0.452 328 G N -0.648 108.153 108.800 0.003 0.000 2.256 328 G HA2 -0.239 3.722 3.960 0.000 0.000 0.272 328 G HA3 -0.239 3.722 3.960 0.000 0.000 0.272 328 G C 0.184 175.071 174.900 -0.021 0.000 1.076 328 G CA 0.552 45.643 45.100 -0.014 0.000 0.882 328 G HN 0.622 nan 8.290 nan 0.000 0.497 329 E N -1.356 118.836 120.200 -0.013 0.000 2.472 329 E HA 0.338 4.688 4.350 0.000 0.000 0.196 329 E C 1.236 177.792 176.600 -0.073 0.000 1.033 329 E CA 0.747 57.134 56.400 -0.021 0.000 0.886 329 E CB 0.616 30.327 29.700 0.018 0.000 0.944 329 E HN 0.903 nan 8.360 nan 0.000 0.492 330 V N -2.554 117.302 119.914 -0.098 0.000 3.165 330 V HA 0.769 4.890 4.120 0.000 0.000 0.309 330 V C -0.613 175.396 176.094 -0.142 0.000 1.267 330 V CA -0.914 61.263 62.300 -0.205 0.000 1.067 330 V CB 1.942 33.574 31.823 -0.319 0.000 1.082 330 V HN 0.009 nan 8.190 nan 0.000 0.451 331 S N -0.721 114.878 115.700 -0.169 0.000 2.567 331 S HA 0.796 5.266 4.470 0.000 0.000 0.270 331 S C -0.348 174.185 174.600 -0.111 0.000 1.152 331 S CA -0.154 57.980 58.200 -0.110 0.000 0.835 331 S CB 1.375 64.519 63.200 -0.093 0.000 1.115 331 S HN 2.377 nan 8.310 nan 0.000 0.459 332 A N 1.126 123.903 122.820 -0.071 0.000 2.988 332 A HA 0.479 4.800 4.320 0.000 0.000 0.288 332 A C 0.457 178.015 177.584 -0.043 0.000 1.385 332 A CA -0.382 51.624 52.037 -0.051 0.000 1.001 332 A CB -0.966 18.019 19.000 -0.025 0.000 1.071 332 A HN 0.809 nan 8.150 nan 0.000 0.608 333 E N -0.652 119.515 120.200 -0.055 0.000 2.266 333 E HA 0.495 4.846 4.350 0.000 0.000 0.277 333 E C 0.641 177.223 176.600 -0.031 0.000 1.018 333 E CA -0.213 56.161 56.400 -0.043 0.000 0.840 333 E CB 0.798 30.468 29.700 -0.050 0.000 1.082 333 E HN 0.789 nan 8.360 nan 0.000 0.395 334 G N 3.019 111.810 108.800 -0.015 0.000 2.149 334 G HA2 -0.218 3.743 3.960 0.000 0.000 0.235 334 G HA3 -0.218 3.743 3.960 0.000 0.000 0.235 334 G C -0.291 174.622 174.900 0.022 0.000 1.018 334 G CA 0.267 45.367 45.100 0.001 0.000 0.728 334 G HN 0.420 nan 8.290 nan 0.000 0.508 335 L N -0.995 120.241 121.223 0.022 0.000 2.381 335 L HA 0.714 5.054 4.340 0.000 0.000 0.268 335 L C 0.396 177.300 176.870 0.056 0.000 0.997 335 L CA -1.102 53.765 54.840 0.046 0.000 0.818 335 L CB 2.142 44.225 42.059 0.040 0.000 1.310 335 L HN 0.067 nan 8.230 nan 0.000 0.416 336 R N 2.964 123.516 120.500 0.086 0.000 2.387 336 R HA 0.685 5.025 4.340 0.000 0.000 0.314 336 R C -0.963 175.423 176.300 0.144 0.000 0.958 336 R CA -0.522 55.648 56.100 0.118 0.000 0.846 336 R CB 2.314 32.711 30.300 0.160 0.000 1.147 336 R HN 0.612 nan 8.270 nan 0.000 0.447 337 I N 0.605 121.275 120.570 0.167 0.000 2.498 337 I HA 0.415 4.586 4.170 0.000 0.000 0.290 337 I C -0.892 175.368 176.117 0.239 0.000 1.032 337 I CA -1.022 60.375 61.300 0.162 0.000 1.073 337 I CB 1.913 39.987 38.000 0.125 0.000 1.251 337 I HN 0.221 nan 8.210 nan 0.000 0.426 338 V N 7.440 127.456 119.914 0.170 0.000 2.555 338 V HA 0.254 4.375 4.120 0.000 0.000 0.286 338 V C 0.211 176.345 176.094 0.067 0.000 1.044 338 V CA -0.285 62.091 62.300 0.126 0.000 1.026 338 V CB 1.141 32.937 31.823 -0.044 0.000 0.981 338 V HN 0.616 nan 8.190 nan 0.000 0.480 339 L N 5.634 126.885 121.223 0.046 0.000 2.462 339 L HA 0.483 4.823 4.340 0.000 0.000 0.255 339 L C -0.115 176.598 176.870 -0.262 0.000 1.076 339 L CA -0.185 54.645 54.840 -0.017 0.000 0.920 339 L CB 1.279 43.413 42.059 0.125 0.000 1.214 339 L HN 0.931 nan 8.230 nan 0.000 0.472 340 E N 3.610 123.675 120.200 -0.225 0.000 2.227 340 E HA 0.876 5.226 4.350 0.000 0.000 0.268 340 E C -1.416 175.052 176.600 -0.219 0.000 0.907 340 E CA -0.711 55.504 56.400 -0.307 0.000 0.786 340 E CB 2.726 32.315 29.700 -0.185 0.000 1.191 340 E HN 0.440 nan 8.360 nan 0.000 0.411 341 A N 2.121 124.792 122.820 -0.248 0.000 2.547 341 A HA 0.677 4.997 4.320 0.000 0.000 0.297 341 A C -0.240 177.318 177.584 -0.043 0.000 1.056 341 A CA -0.377 51.610 52.037 -0.083 0.000 0.688 341 A CB 1.465 20.409 19.000 -0.094 0.000 1.282 341 A HN 0.767 nan 8.150 nan 0.000 0.400 342 G N -0.180 108.650 108.800 0.049 0.000 2.572 342 G HA2 0.496 4.457 3.960 0.000 0.000 0.261 342 G HA3 0.496 4.457 3.960 0.000 0.000 0.261 342 G C 0.665 175.590 174.900 0.042 0.000 1.197 342 G CA 0.124 45.239 45.100 0.025 0.000 0.870 342 G HN 1.492 nan 8.290 nan 0.000 0.548 343 I N -2.398 118.191 120.570 0.032 0.000 3.941 343 I HA 0.270 4.440 4.170 0.000 0.000 0.321 343 I C 1.598 177.751 176.117 0.060 0.000 1.284 343 I CA -0.226 61.108 61.300 0.057 0.000 1.226 343 I CB 0.358 38.391 38.000 0.055 0.000 1.045 343 I HN 0.225 nan 8.210 nan 0.000 0.420 344 R N 2.043 122.571 120.500 0.047 0.000 2.404 344 R HA 0.223 4.563 4.340 0.000 0.000 0.236 344 R C -0.088 176.244 176.300 0.053 0.000 1.044 344 R CA 0.181 56.312 56.100 0.052 0.000 1.133 344 R CB -0.381 29.951 30.300 0.053 0.000 1.142 344 R HN 0.515 nan 8.270 nan 0.000 0.512 345 E N 1.649 121.894 120.200 0.074 0.000 3.666 345 E HA 0.210 4.561 4.350 0.000 0.000 0.230 345 E C -2.381 174.291 176.600 0.120 0.000 1.235 345 E CA -1.822 54.641 56.400 0.105 0.000 1.096 345 E CB 0.932 30.719 29.700 0.146 0.000 1.287 345 E HN 0.054 nan 8.360 nan 0.000 0.406 351 A N 1.513 124.499 122.820 0.277 0.000 1.975 351 A HA 0.117 4.437 4.320 0.000 0.000 0.215 351 A C 1.675 179.450 177.584 0.318 0.000 1.170 351 A CA 0.981 53.205 52.037 0.312 0.000 0.656 351 A CB -0.392 18.847 19.000 0.399 0.000 0.821 351 A HN 0.350 nan 8.150 nan 0.000 0.449 352 N N -0.177 118.738 118.700 0.358 0.000 2.250 352 N HA -0.116 4.624 4.740 0.000 0.000 0.181 352 N C 1.881 177.685 175.510 0.490 0.000 1.017 352 N CA 1.232 54.504 53.050 0.370 0.000 0.866 352 N CB -0.185 38.504 38.487 0.337 0.000 0.985 352 N HN 0.630 nan 8.380 nan 0.000 0.429 353 Q N 0.968 121.074 119.800 0.509 0.000 2.061 353 Q HA -0.051 4.289 4.340 0.000 0.000 0.204 353 Q C 2.199 178.311 176.000 0.187 0.000 0.984 353 Q CA 1.587 57.574 55.803 0.307 0.000 0.846 353 Q CB -0.231 28.647 28.738 0.234 0.000 0.902 353 Q HN 0.324 nan 8.270 nan 0.000 0.421 354 A N 0.987 123.913 122.820 0.177 0.000 1.958 354 A HA -0.219 4.101 4.320 0.000 0.000 0.221 354 A C 2.055 179.693 177.584 0.089 0.000 1.178 354 A CA 1.592 53.701 52.037 0.121 0.000 0.642 354 A CB -0.577 18.509 19.000 0.145 0.000 0.816 354 A HN 0.375 nan 8.150 nan 0.000 0.453 355 L N -2.218 119.063 121.223 0.097 0.000 2.131 355 L HA 0.019 4.359 4.340 0.000 0.000 0.206 355 L C 2.219 179.140 176.870 0.084 0.000 1.087 355 L CA 1.922 56.771 54.840 0.014 0.000 0.767 355 L CB -0.777 41.166 42.059 -0.194 0.000 0.917 355 L HN 0.499 nan 8.230 nan 0.000 0.441 356 Y N 0.096 120.403 120.300 0.012 0.000 2.165 356 Y HA -0.285 4.265 4.550 0.000 0.000 0.286 356 Y C 2.428 178.280 175.900 -0.081 0.000 1.155 356 Y CA 1.673 59.744 58.100 -0.047 0.000 1.164 356 Y CB -0.108 38.167 38.460 -0.308 0.000 0.978 356 Y HN 0.309 nan 8.280 nan 0.000 0.513 357 A N 0.081 122.823 122.820 -0.130 0.000 1.883 357 A HA -0.260 4.060 4.320 0.000 0.000 0.217 357 A C 2.055 179.557 177.584 -0.138 0.000 1.186 357 A CA 1.890 53.811 52.037 -0.193 0.000 0.624 357 A CB -0.694 18.242 19.000 -0.106 0.000 0.822 357 A HN 0.528 nan 8.150 nan 0.000 0.444 358 Q N -0.595 119.165 119.800 -0.067 0.000 2.291 358 Q HA 0.040 4.380 4.340 0.000 0.000 0.205 358 Q C 1.559 177.539 176.000 -0.035 0.000 0.970 358 Q CA 0.750 56.532 55.803 -0.036 0.000 0.876 358 Q CB -0.213 28.518 28.738 -0.012 0.000 0.935 358 Q HN 0.719 nan 8.270 nan 0.000 0.455 359 L N 0.070 121.259 121.223 -0.058 0.000 2.645 359 L HA -0.008 4.332 4.340 0.000 0.000 0.234 359 L C 1.756 178.568 176.870 -0.097 0.000 1.165 359 L CA -0.125 54.684 54.840 -0.051 0.000 0.944 359 L CB -0.382 41.681 42.059 0.008 0.000 1.149 359 L HN 0.184 nan 8.230 nan 0.000 0.446 360 H N 2.032 120.971 119.070 -0.217 0.000 2.289 360 H HA -0.176 4.380 4.556 0.000 0.000 0.294 360 H C -0.549 174.690 175.328 -0.149 0.000 1.095 360 H CA 2.321 58.231 56.048 -0.230 0.000 1.256 360 H CB -0.940 28.706 29.762 -0.192 0.000 1.359 360 H HN 0.103 nan 8.280 nan 0.000 0.487 361 P HA -0.150 nan 4.420 nan 0.000 0.217 361 P C 0.357 177.547 177.300 -0.183 0.000 1.148 361 P CA 1.439 64.421 63.100 -0.197 0.000 0.834 361 P CB 0.139 31.785 31.700 -0.089 0.000 0.783 362 I N -1.664 118.823 120.570 -0.138 0.000 3.654 362 I HA 0.138 4.308 4.170 0.000 0.000 0.337 362 I C 0.994 177.065 176.117 -0.076 0.000 1.568 362 I CA -0.043 61.202 61.300 -0.093 0.000 1.115 362 I CB -0.329 37.641 38.000 -0.049 0.000 1.300 362 I HN -0.055 nan 8.210 nan 0.000 0.471 363 K N 0.821 121.145 120.400 -0.128 0.000 2.487 363 K HA -0.083 4.237 4.320 0.000 0.000 0.192 363 K C 1.581 178.152 176.600 -0.048 0.000 1.027 363 K CA 0.298 56.549 56.287 -0.060 0.000 1.054 363 K CB 0.505 32.921 32.500 -0.141 0.000 0.824 363 K HN 0.262 nan 8.250 nan 0.000 0.510 364 E N 0.761 120.910 120.200 -0.085 0.000 2.072 364 E HA -0.041 4.309 4.350 0.000 0.000 0.190 364 E C 0.554 177.092 176.600 -0.103 0.000 0.982 364 E CA 1.056 57.405 56.400 -0.086 0.000 0.803 364 E CB 0.279 29.929 29.700 -0.083 0.000 0.755 364 E HN -0.056 nan 8.360 nan 0.000 0.453 365 S N 0.061 115.713 115.700 -0.080 0.000 2.552 365 S HA 0.326 4.796 4.470 0.000 0.000 0.246 365 S C -0.157 174.400 174.600 -0.071 0.000 1.019 365 S CA -0.225 57.925 58.200 -0.084 0.000 1.045 365 S CB -0.055 63.129 63.200 -0.027 0.000 0.784 365 S HN 0.178 nan 8.310 nan 0.000 0.453 366 I N 1.372 121.889 120.570 -0.088 0.000 2.478 366 I HA 0.381 4.551 4.170 0.000 0.000 0.287 366 I C -1.211 174.880 176.117 -0.042 0.000 1.042 366 I CA -0.798 60.520 61.300 0.030 0.000 1.067 366 I CB 1.645 39.774 38.000 0.214 0.000 1.233 366 I HN 0.079 nan 8.210 nan 0.000 0.431 367 F N 5.806 125.826 119.950 0.116 0.000 2.434 367 F HA 0.134 4.661 4.527 0.000 0.000 0.358 367 F C 0.191 176.049 175.800 0.096 0.000 1.136 367 F CA -0.225 57.832 58.000 0.096 0.000 1.157 367 F CB 0.407 39.431 39.000 0.040 0.000 1.167 367 F HN 0.498 nan 8.300 nan 0.000 0.539 368 W N 6.564 127.881 121.300 0.028 0.000 2.331 368 W HA 0.384 5.044 4.660 0.000 0.000 0.306 368 W C -0.763 175.723 176.519 -0.056 0.000 1.162 368 W CA -0.859 56.402 57.345 -0.140 0.000 1.232 368 W CB 0.840 30.006 29.460 -0.491 0.000 1.235 368 W HN 0.417 nan 8.180 nan 0.000 0.479 369 R N 5.578 125.704 120.500 -0.624 0.000 2.477 369 R HA 0.047 4.388 4.340 0.000 0.000 0.285 369 R C -0.254 175.702 176.300 -0.572 0.000 1.415 369 R CA -0.511 55.344 56.100 -0.409 0.000 1.446 369 R CB 1.232 31.404 30.300 -0.212 0.000 1.110 369 R HN 0.577 nan 8.270 nan 0.000 0.590 370 Q N 2.611 122.081 119.800 -0.550 0.000 2.381 370 Q HA 0.199 4.539 4.340 0.000 0.000 0.243 370 Q C -0.735 175.201 176.000 -0.105 0.000 1.154 370 Q CA -0.051 55.575 55.803 -0.295 0.000 0.899 370 Q CB 0.646 29.427 28.738 0.071 0.000 1.396 370 Q HN 0.186 nan 8.270 nan 0.000 0.485 371 V N 3.489 123.337 119.914 -0.110 0.000 2.834 371 V HA 0.066 4.186 4.120 0.000 0.000 0.313 371 V C 0.803 176.870 176.094 -0.045 0.000 1.060 371 V CA -0.495 61.763 62.300 -0.070 0.000 0.989 371 V CB 1.854 33.630 31.823 -0.077 0.000 1.041 371 V HN 0.822 nan 8.190 nan 0.000 0.459 372 D N 1.889 122.259 120.400 -0.050 0.000 2.144 372 D HA -0.030 4.611 4.640 0.000 0.000 0.200 372 D C 1.179 177.439 176.300 -0.066 0.000 0.978 372 D CA 1.408 55.384 54.000 -0.041 0.000 0.833 372 D CB 0.095 40.866 40.800 -0.048 0.000 0.961 372 D HN 0.698 nan 8.370 nan 0.000 0.470 373 G N -0.715 108.009 108.800 -0.126 0.000 2.580 373 G HA2 0.440 4.401 3.960 0.000 0.000 0.225 373 G HA3 0.440 4.401 3.960 0.000 0.000 0.225 373 G C 0.381 175.208 174.900 -0.123 0.000 1.521 373 G CA 0.264 45.250 45.100 -0.191 0.000 1.068 373 G HN 0.351 nan 8.290 nan 0.000 0.564 374 G N -2.786 105.906 108.800 -0.179 0.000 3.166 374 G HA2 0.406 4.366 3.960 0.000 0.000 0.267 374 G HA3 0.406 4.366 3.960 0.000 0.000 0.267 374 G C -1.064 173.731 174.900 -0.175 0.000 1.256 374 G CA -0.600 44.434 45.100 -0.110 0.000 0.859 374 G HN 0.645 nan 8.290 nan 0.000 0.590 375 H N 0.647 119.600 119.070 -0.194 0.000 3.195 375 H HA 0.420 4.977 4.556 0.000 0.000 0.241 375 H C -1.068 173.826 175.328 -0.724 0.000 1.823 375 H CA 0.180 56.057 56.048 -0.285 0.000 1.466 375 H CB -0.127 29.613 29.762 -0.036 0.000 1.819 375 H HN 0.231 nan 8.280 nan 0.000 0.575 376 D N 1.903 121.521 120.400 -1.304 0.000 2.855 376 D HA 0.192 4.832 4.640 0.000 0.000 0.241 376 D C 0.628 176.215 176.300 -1.187 0.000 1.277 376 D CA -0.232 53.195 54.000 -0.956 0.000 0.918 376 D CB 1.215 41.711 40.800 -0.506 0.000 1.462 376 D HN 0.415 nan 8.370 nan 0.000 0.559 377 A N 3.347 125.735 122.820 -0.720 0.000 2.125 377 A HA -0.108 4.213 4.320 0.000 0.000 0.219 377 A C 1.808 179.349 177.584 -0.071 0.000 1.156 377 A CA 0.806 52.730 52.037 -0.188 0.000 0.671 377 A CB -0.212 18.718 19.000 -0.117 0.000 0.794 377 A HN 0.530 nan 8.150 nan 0.000 0.459 378 L N -0.975 120.150 121.223 -0.163 0.000 2.313 378 L HA -0.044 4.296 4.340 0.000 0.000 0.214 378 L C 2.190 178.885 176.870 -0.291 0.000 1.119 378 L CA 1.531 56.238 54.840 -0.222 0.000 0.809 378 L CB -0.419 41.591 42.059 -0.082 0.000 0.933 378 L HN 0.471 nan 8.230 nan 0.000 0.449 379 C N -2.107 117.004 119.300 -0.314 0.000 2.475 379 C HA -0.076 4.385 4.460 0.000 0.000 0.279 379 C C 2.366 177.306 174.990 -0.083 0.000 1.322 379 C CA -0.337 58.519 59.018 -0.270 0.000 1.734 379 C CB -1.193 26.334 27.740 -0.355 0.000 2.005 379 C HN 0.683 nan 8.230 nan 0.000 0.495 380 W N 2.410 123.643 121.300 -0.112 0.000 2.363 380 W HA -0.094 4.566 4.660 0.000 0.000 0.296 380 W C 2.632 179.103 176.519 -0.079 0.000 1.212 380 W CA 1.462 58.777 57.345 -0.050 0.000 1.260 380 W CB -1.028 28.471 29.460 0.066 0.000 1.131 380 W HN 0.497 nan 8.180 nan 0.000 0.530 381 R N -0.173 120.393 120.500 0.111 0.000 2.139 381 R HA -0.104 4.236 4.340 0.000 0.000 0.243 381 R C 2.359 178.680 176.300 0.036 0.000 1.145 381 R CA 1.959 57.989 56.100 -0.116 0.000 0.976 381 R CB -1.533 28.301 30.300 -0.776 0.000 0.866 381 R HN 0.070 nan 8.270 nan 0.000 0.449 382 G N 0.401 109.159 108.800 -0.069 0.000 2.404 382 G HA2 -0.131 3.829 3.960 0.000 0.000 0.214 382 G HA3 -0.131 3.829 3.960 0.000 0.000 0.214 382 G C 1.621 176.535 174.900 0.022 0.000 1.189 382 G CA 0.442 45.561 45.100 0.032 0.000 0.789 382 G HN 0.463 nan 8.290 nan 0.000 0.533 383 G N 0.313 109.106 108.800 -0.011 0.000 2.448 383 G HA2 0.053 4.013 3.960 0.000 0.000 0.219 383 G HA3 0.053 4.013 3.960 0.000 0.000 0.219 383 G C 0.967 175.813 174.900 -0.090 0.000 1.127 383 G CA 0.647 45.721 45.100 -0.045 0.000 0.766 383 G HN 0.434 nan 8.290 nan 0.000 0.552 387 G N 1.575 110.255 108.800 -0.200 0.000 2.422 387 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 387 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 387 G C 1.071 175.774 174.900 -0.328 0.000 1.146 387 G CA 1.197 46.132 45.100 -0.275 0.000 0.769 387 G HN 0.228 nan 8.290 nan 0.000 0.547 388 L N 0.880 121.915 121.223 -0.313 0.000 1.970 388 L HA -0.005 4.335 4.340 0.000 0.000 0.212 388 L C 2.902 179.656 176.870 -0.193 0.000 1.071 388 L CA 1.179 55.760 54.840 -0.432 0.000 0.751 388 L CB -1.059 40.831 42.059 -0.281 0.000 0.889 388 L HN 0.206 nan 8.230 nan 0.000 0.432 389 I N -0.323 120.230 120.570 -0.028 0.000 2.236 389 I HA -0.360 3.810 4.170 0.000 0.000 0.249 389 I C 1.804 177.939 176.117 0.029 0.000 1.102 389 I CA 1.518 62.864 61.300 0.077 0.000 1.365 389 I CB -0.296 37.706 38.000 0.004 0.000 1.051 389 I HN 0.346 nan 8.210 nan 0.000 0.420 390 D N -0.475 119.818 120.400 -0.179 0.000 2.301 390 D HA 0.006 4.646 4.640 0.000 0.000 0.206 390 D C 2.014 178.135 176.300 -0.299 0.000 0.979 390 D CA 0.515 54.305 54.000 -0.350 0.000 0.874 390 D CB 0.191 40.501 40.800 -0.817 0.000 0.968 390 D HN 0.142 nan 8.370 nan 0.000 0.510 391 L N -0.342 120.727 121.223 -0.257 0.000 2.156 391 L HA -0.040 4.300 4.340 0.000 0.000 0.208 391 L C 1.377 178.323 176.870 0.126 0.000 1.095 391 L CA 0.975 55.756 54.840 -0.098 0.000 0.770 391 L CB -0.523 41.368 42.059 -0.279 0.000 0.914 391 L HN 0.178 nan 8.230 nan 0.000 0.439 392 W N -1.081 120.270 121.300 0.085 0.000 3.239 392 W HA 0.212 4.872 4.660 0.000 0.000 0.348 392 W C 2.173 178.822 176.519 0.216 0.000 1.183 392 W CA -0.368 57.046 57.345 0.114 0.000 1.819 392 W CB -0.482 29.041 29.460 0.106 0.000 1.091 392 W HN 0.282 nan 8.180 nan 0.000 0.629 393 Q N 1.376 121.443 119.800 0.445 0.000 2.050 393 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 393 Q C -0.451 175.832 176.000 0.472 0.000 0.980 393 Q CA 2.373 58.466 55.803 0.483 0.000 0.840 393 Q CB -1.084 27.835 28.738 0.302 0.000 0.898 393 Q HN -0.039 nan 8.270 nan 0.000 0.424 394 P HA -0.177 nan 4.420 nan 0.000 0.218 394 P C 0.647 178.076 177.300 0.215 0.000 1.146 394 P CA 0.926 64.171 63.100 0.241 0.000 0.820 394 P CB 0.009 31.784 31.700 0.126 0.000 0.778 395 L N -2.522 118.781 121.223 0.133 0.000 2.265 395 L HA -0.082 4.258 4.340 0.000 0.000 0.215 395 L C 1.056 177.857 176.870 -0.115 0.000 1.117 395 L CA 1.202 55.999 54.840 -0.072 0.000 0.782 395 L CB -1.467 40.430 42.059 -0.270 0.000 0.914 395 L HN -0.069 nan 8.230 nan 0.000 0.441 396 F N -0.940 119.115 119.950 0.174 0.000 2.626 396 F HA 0.248 4.775 4.527 0.000 0.000 0.353 396 F C 0.628 176.498 175.800 0.117 0.000 1.230 396 F CA -0.162 57.908 58.000 0.117 0.000 1.298 396 F CB -0.513 38.531 39.000 0.074 0.000 1.670 396 F HN 0.067 nan 8.300 nan 0.000 0.633 397 H N 0.000 119.134 119.070 0.107 0.000 2.539 397 H HA 0.000 4.556 4.556 0.000 0.000 0.296 397 H CA 0.000 56.094 56.048 0.076 0.000 1.023 397 H CB 0.000 29.797 29.762 0.058 0.000 1.292 397 H HN 0.000 nan 8.280 nan 0.000 0.496