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 2e5b_1_A DATA FIRST_RESID 8 DATA SEQUENCE EFNILLATDS YKVTHYKQYP PNTSKVYSYF ECREKXXXXX XXXXXKYEET DATA SEQUENCE VFYGLQYILN KYLKGKVVTK EKIQEAKDVY KEHFQDDVFN EKGWNYILEK DATA SEQUENCE YDGHLPIEIK AVPEGFVIPR GNVLFTVENT DPECYWLTNW IETILVQSWY DATA SEQUENCE PITVATNSRE QKKILAKYLL ETSGNLDGLE YKLHDFGYRG VSSQETAGIG DATA SEQUENCE ASAHLVNFKG TDTVAGLALI KKYYGTKDPV PGYSVPAAEH STITAWGKDH DATA SEQUENCE EKDAFEHIVT QFSSVPVSVV SDSYDIYNAC EKIWGEDLRH LIVSRSTQAP DATA SEQUENCE LIIRPDSGNP LDTVLKVLEI LGKKFPVTEN SKGYKLLPPY LRVIQGDGVD DATA SEQUENCE INTLQEIVEG MKQKMWSIEN IAFGSGGGLL QKLTRDLLNC SFKCSYVVTN DATA SEQUENCE GLGINVFKDP VADPNKRSKK GRLSLHRTPA GNFVTLEEGK GDLEEYGQDL DATA SEQUENCE LHTVFKNGKV TKSYSFDEIR KNAQLN 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.659 176.600 0.098 0.000 1.382 8 E CA 0.000 56.443 56.400 0.072 0.000 0.976 8 E CB 0.000 29.728 29.700 0.047 0.000 0.812 9 F N 3.521 123.486 119.950 0.025 0.000 2.538 9 F HA 0.289 4.917 4.527 0.168 0.000 0.371 9 F C -0.084 175.723 175.800 0.011 0.000 1.087 9 F CA 0.204 58.230 58.000 0.043 0.000 1.250 9 F CB 0.480 39.564 39.000 0.139 0.000 1.110 9 F HN 0.292 nan 8.300 nan 0.000 0.570 10 N N 7.178 125.430 118.700 -0.746 0.000 2.518 10 N HA 0.142 4.983 4.740 0.168 0.000 0.254 10 N C 0.731 175.744 175.510 -0.829 0.000 0.979 10 N CA -0.368 52.330 53.050 -0.587 0.000 0.930 10 N CB 0.860 39.121 38.487 -0.378 0.000 1.152 10 N HN 0.917 nan 8.380 nan 0.000 0.505 11 I N 2.840 123.095 120.570 -0.525 0.000 2.567 11 I HA -0.207 4.064 4.170 0.168 0.000 0.257 11 I C 0.856 176.963 176.117 -0.017 0.000 1.184 11 I CA 0.945 62.133 61.300 -0.187 0.000 1.451 11 I CB 0.354 38.450 38.000 0.160 0.000 1.089 11 I HN 0.481 nan 8.210 nan 0.000 0.441 12 L N 0.035 121.123 121.223 -0.225 0.000 2.376 12 L HA -0.062 4.378 4.340 0.168 0.000 0.219 12 L C 1.607 178.628 176.870 0.253 0.000 1.133 12 L CA 1.270 56.070 54.840 -0.068 0.000 0.816 12 L CB -0.328 41.442 42.059 -0.481 0.000 0.933 12 L HN 0.215 nan 8.230 nan 0.000 0.449 13 L N -1.074 120.114 121.223 -0.057 0.000 2.910 13 L HA 0.340 4.781 4.340 0.168 0.000 0.252 13 L C 0.977 177.780 176.870 -0.111 0.000 1.195 13 L CA -0.138 54.639 54.840 -0.106 0.000 1.003 13 L CB 0.053 41.927 42.059 -0.309 0.000 1.328 13 L HN 0.086 nan 8.230 nan 0.000 0.540 14 A N -0.346 122.439 122.820 -0.058 0.000 3.041 14 A HA 0.509 4.930 4.320 0.168 0.000 0.307 14 A C 0.168 177.758 177.584 0.011 0.000 1.116 14 A CA -0.057 51.954 52.037 -0.044 0.000 1.001 14 A CB 0.186 19.158 19.000 -0.048 0.000 1.112 14 A HN 0.130 nan 8.150 nan 0.000 0.556 15 T N -0.809 113.701 114.554 -0.072 0.000 2.883 15 T HA 0.325 4.776 4.350 0.168 0.000 0.296 15 T C -1.315 173.302 174.700 -0.138 0.000 1.117 15 T CA -0.583 61.386 62.100 -0.219 0.000 1.006 15 T CB 1.087 69.513 68.868 -0.736 0.000 1.191 15 T HN 0.312 nan 8.240 nan 0.000 0.508 16 D N 2.191 122.539 120.400 -0.087 0.000 2.493 16 D HA 0.076 4.816 4.640 0.168 0.000 0.240 16 D C 1.151 177.489 176.300 0.063 0.000 1.142 16 D CA 0.311 54.355 54.000 0.073 0.000 0.872 16 D CB 1.315 42.296 40.800 0.302 0.000 1.173 16 D HN 0.506 nan 8.370 nan 0.000 0.467 17 S N 2.035 117.829 115.700 0.158 0.000 2.372 17 S HA -0.283 4.288 4.470 0.168 0.000 0.227 17 S C 1.832 176.613 174.600 0.302 0.000 1.044 17 S CA 1.500 59.839 58.200 0.231 0.000 1.050 17 S CB -0.443 62.922 63.200 0.275 0.000 0.901 17 S HN 0.681 nan 8.310 nan 0.000 0.447 18 Y N 1.649 121.962 120.300 0.022 0.000 2.403 18 Y HA 0.122 4.773 4.550 0.168 0.000 0.291 18 Y C 1.540 177.115 175.900 -0.541 0.000 1.143 18 Y CA 0.452 58.508 58.100 -0.073 0.000 1.257 18 Y CB -0.956 37.509 38.460 0.009 0.000 0.984 18 Y HN 0.103 nan 8.280 nan 0.000 0.550 19 K N 0.378 120.266 120.400 -0.854 0.000 2.362 19 K HA -0.028 4.393 4.320 0.168 0.000 0.200 19 K C 1.859 178.111 176.600 -0.581 0.000 1.046 19 K CA 1.034 56.689 56.287 -1.053 0.000 0.952 19 K CB -0.120 31.977 32.500 -0.673 0.000 0.753 19 K HN 0.291 nan 8.250 nan 0.000 0.466 20 V N 1.325 120.961 119.914 -0.463 0.000 2.594 20 V HA -0.199 4.022 4.120 0.168 0.000 0.253 20 V C 2.252 178.336 176.094 -0.016 0.000 1.069 20 V CA 2.220 64.414 62.300 -0.177 0.000 1.082 20 V CB -0.651 30.965 31.823 -0.346 0.000 0.680 20 V HN 0.530 nan 8.190 nan 0.000 0.469 21 T N -4.156 110.288 114.554 -0.183 0.000 3.086 21 T HA 0.031 4.482 4.350 0.168 0.000 0.250 21 T C 1.381 176.070 174.700 -0.018 0.000 1.074 21 T CA 0.335 62.360 62.100 -0.125 0.000 0.988 21 T CB -0.471 68.278 68.868 -0.197 0.000 0.988 21 T HN 0.609 nan 8.240 nan 0.000 0.530 22 H N 0.124 119.211 119.070 0.028 0.000 2.495 22 H HA 0.043 4.700 4.556 0.168 0.000 0.287 22 H C 1.869 177.273 175.328 0.128 0.000 1.033 22 H CA 1.269 57.302 56.048 -0.025 0.000 1.307 22 H CB -0.172 29.570 29.762 -0.033 0.000 1.401 22 H HN 0.709 nan 8.280 nan 0.000 0.555 23 Y N 1.011 121.451 120.300 0.233 0.000 2.483 23 Y HA -0.060 4.591 4.550 0.168 0.000 0.291 23 Y C 1.452 177.501 175.900 0.249 0.000 1.143 23 Y CA 0.585 58.834 58.100 0.247 0.000 1.289 23 Y CB -0.128 38.207 38.460 -0.208 0.000 0.983 23 Y HN -0.103 nan 8.280 nan 0.000 0.556 24 K N 0.129 120.219 120.400 -0.517 0.000 2.404 24 K HA 0.088 4.509 4.320 0.168 0.000 0.194 24 K C 1.296 177.799 176.600 -0.162 0.000 1.023 24 K CA 0.314 56.346 56.287 -0.425 0.000 1.094 24 K CB 0.191 32.333 32.500 -0.597 0.000 0.841 24 K HN 0.540 nan 8.250 nan 0.000 0.523 25 Q N -0.889 118.856 119.800 -0.091 0.000 2.391 25 Q HA 0.097 4.538 4.340 0.168 0.000 0.243 25 Q C -0.239 175.681 176.000 -0.134 0.000 0.874 25 Q CA -0.013 55.703 55.803 -0.145 0.000 0.950 25 Q CB 0.385 28.986 28.738 -0.228 0.000 1.103 25 Q HN 0.153 nan 8.270 nan 0.000 0.544 26 Y N 2.135 122.475 120.300 0.066 0.000 2.426 26 Y HA 0.065 4.715 4.550 0.168 0.000 0.344 26 Y C -1.803 174.077 175.900 -0.034 0.000 1.256 26 Y CA -1.918 56.210 58.100 0.047 0.000 1.451 26 Y CB -0.377 38.178 38.460 0.158 0.000 1.342 26 Y HN 0.027 nan 8.280 nan 0.000 0.600 27 P HA 0.062 nan 4.420 nan 0.000 0.265 27 P C -2.529 174.741 177.300 -0.050 0.000 1.193 27 P CA -0.881 62.225 63.100 0.011 0.000 0.765 27 P CB 0.013 31.711 31.700 -0.004 0.000 0.823 28 P HA -0.034 nan 4.420 nan 0.000 0.267 28 P C 0.014 177.244 177.300 -0.118 0.000 1.200 28 P CA 0.493 63.539 63.100 -0.090 0.000 0.772 28 P CB 0.131 31.797 31.700 -0.056 0.000 0.855 29 N N -1.589 117.021 118.700 -0.150 0.000 2.776 29 N HA -0.118 4.723 4.740 0.168 0.000 0.249 29 N C -0.808 174.594 175.510 -0.180 0.000 1.111 29 N CA 0.960 53.926 53.050 -0.140 0.000 0.711 29 N CB -2.122 36.313 38.487 -0.086 0.000 1.065 29 N HN 0.377 nan 8.380 nan 0.000 0.556 30 T N 0.310 114.684 114.554 -0.300 0.000 2.728 30 T HA 0.329 4.780 4.350 0.168 0.000 0.296 30 T C 1.413 175.929 174.700 -0.305 0.000 0.940 30 T CA 0.053 61.966 62.100 -0.310 0.000 1.013 30 T CB 1.244 69.898 68.868 -0.356 0.000 0.912 30 T HN 0.310 nan 8.240 nan 0.000 0.484 31 S N 2.305 117.916 115.700 -0.149 0.000 2.502 31 S HA 0.284 4.855 4.470 0.168 0.000 0.215 31 S C 0.434 175.029 174.600 -0.007 0.000 1.009 31 S CA -0.329 57.836 58.200 -0.057 0.000 0.908 31 S CB 0.169 63.346 63.200 -0.039 0.000 0.801 31 S HN 0.447 nan 8.310 nan 0.000 0.505 32 K N 0.820 121.197 120.400 -0.037 0.000 2.513 32 K HA 0.638 5.059 4.320 0.168 0.000 0.251 32 K C -2.051 174.536 176.600 -0.022 0.000 0.939 32 K CA -0.458 55.830 56.287 0.001 0.000 0.793 32 K CB 2.329 34.842 32.500 0.022 0.000 1.241 32 K HN 0.023 nan 8.250 nan 0.000 0.431 33 V N 4.956 124.885 119.914 0.026 0.000 2.483 33 V HA 0.433 4.654 4.120 0.168 0.000 0.297 33 V C -1.458 174.748 176.094 0.187 0.000 1.027 33 V CA -0.791 61.535 62.300 0.043 0.000 0.855 33 V CB 1.355 33.125 31.823 -0.087 0.000 0.995 33 V HN 0.764 nan 8.190 nan 0.000 0.424 34 Y N 3.751 124.122 120.300 0.119 0.000 2.331 34 Y HA 0.727 5.378 4.550 0.168 0.000 0.334 34 Y C 0.022 176.009 175.900 0.146 0.000 0.960 34 Y CA -0.021 58.180 58.100 0.169 0.000 1.130 34 Y CB 1.861 40.492 38.460 0.286 0.000 1.164 34 Y HN 0.647 nan 8.280 nan 0.000 0.458 35 S N 5.136 120.729 115.700 -0.179 0.000 2.632 35 S HA 0.630 5.201 4.470 0.168 0.000 0.289 35 S C -1.738 172.571 174.600 -0.483 0.000 1.115 35 S CA -0.721 57.324 58.200 -0.258 0.000 0.889 35 S CB 1.756 64.770 63.200 -0.310 0.000 1.116 35 S HN 0.694 nan 8.310 nan 0.000 0.486 36 Y N -0.527 119.333 120.300 -0.733 0.000 2.615 36 Y HA 0.820 5.470 4.550 0.168 0.000 0.341 36 Y C -1.793 173.703 175.900 -0.673 0.000 1.089 36 Y CA -1.550 56.183 58.100 -0.612 0.000 1.049 36 Y CB 0.945 39.207 38.460 -0.330 0.000 1.296 36 Y HN 0.585 nan 8.280 nan 0.000 0.470 37 F N 2.729 122.179 119.950 -0.834 0.000 2.495 37 F HA 0.629 5.256 4.527 0.167 0.000 0.327 37 F C -0.847 174.727 175.800 -0.376 0.000 1.103 37 F CA -0.327 57.209 58.000 -0.773 0.000 0.949 37 F CB 1.457 39.690 39.000 -1.279 0.000 1.142 37 F HN 0.794 nan 8.300 nan 0.000 0.457 38 E N 3.600 123.366 120.200 -0.724 0.000 2.413 38 E HA 0.464 4.915 4.350 0.168 0.000 0.277 38 E C -1.854 174.456 176.600 -0.483 0.000 0.958 38 E CA -1.137 55.066 56.400 -0.329 0.000 0.779 38 E CB 1.482 31.171 29.700 -0.019 0.000 1.278 38 E HN 0.519 nan 8.360 nan 0.000 0.456 39 C N 2.552 121.757 119.300 -0.158 0.000 2.135 39 C HA 0.378 4.938 4.460 0.168 0.000 0.345 39 C C 0.387 175.345 174.990 -0.053 0.000 1.067 39 C CA -0.647 58.318 59.018 -0.089 0.000 1.517 39 C CB -1.559 26.212 27.740 0.052 0.000 1.923 39 C HN 0.512 nan 8.230 nan 0.000 0.466 40 R N 1.825 122.276 120.500 -0.082 0.000 2.583 40 R HA 0.047 4.488 4.340 0.168 0.000 0.274 40 R C 0.443 176.742 176.300 -0.003 0.000 0.998 40 R CA 0.357 56.435 56.100 -0.036 0.000 1.081 40 R CB 0.745 31.020 30.300 -0.043 0.000 0.940 40 R HN 0.709 nan 8.270 nan 0.000 0.413 41 E N 2.372 122.580 120.200 0.012 0.000 2.373 41 E HA 0.012 4.463 4.350 0.168 0.000 0.267 41 E C -0.172 176.442 176.600 0.023 0.000 1.032 41 E CA -0.281 56.134 56.400 0.025 0.000 0.889 41 E CB 0.739 30.455 29.700 0.026 0.000 0.984 41 E HN 0.181 nan 8.360 nan 0.000 0.425 54 Y N 2.083 122.402 120.300 0.032 0.000 2.944 54 Y HA 0.284 4.936 4.550 0.170 0.000 0.335 54 Y C 0.354 176.276 175.900 0.036 0.000 1.075 54 Y CA -0.606 57.517 58.100 0.037 0.000 1.240 54 Y CB 1.394 39.883 38.460 0.047 0.000 1.167 54 Y HN 0.045 nan 8.280 nan 0.000 0.555 55 E N 1.120 121.391 120.200 0.118 0.000 2.208 55 E HA -0.104 4.347 4.350 0.168 0.000 0.193 55 E C 0.052 176.706 176.600 0.090 0.000 0.988 55 E CA 0.781 57.234 56.400 0.087 0.000 0.828 55 E CB 0.234 29.964 29.700 0.051 0.000 0.763 55 E HN 0.714 nan 8.360 nan 0.000 0.478 56 E N -0.608 119.652 120.200 0.100 0.000 2.293 56 E HA 0.464 4.915 4.350 0.168 0.000 0.270 56 E C -0.838 175.825 176.600 0.105 0.000 0.879 56 E CA -0.936 55.512 56.400 0.080 0.000 0.756 56 E CB 1.752 31.483 29.700 0.053 0.000 1.208 56 E HN -0.050 nan 8.360 nan 0.000 0.428 57 T N -1.155 113.453 114.554 0.091 0.000 2.856 57 T HA 0.456 4.907 4.350 0.168 0.000 0.283 57 T C -0.107 174.663 174.700 0.117 0.000 1.008 57 T CA -0.825 61.348 62.100 0.122 0.000 0.997 57 T CB 1.346 70.309 68.868 0.158 0.000 0.992 57 T HN 0.290 nan 8.240 nan 0.000 0.454 58 V N 3.917 123.899 119.914 0.113 0.000 2.455 58 V HA 0.294 4.515 4.120 0.168 0.000 0.273 58 V C -0.110 176.098 176.094 0.190 0.000 1.045 58 V CA -0.725 61.639 62.300 0.107 0.000 0.976 58 V CB -0.212 31.625 31.823 0.024 0.000 0.993 58 V HN 0.866 nan 8.190 nan 0.000 0.475 59 F N 7.719 127.722 119.950 0.088 0.000 2.438 59 F HA 0.543 5.171 4.527 0.168 0.000 0.360 59 F C -0.579 175.301 175.800 0.133 0.000 1.118 59 F CA -0.463 57.602 58.000 0.109 0.000 1.164 59 F CB 0.127 39.186 39.000 0.098 0.000 1.131 59 F HN 0.535 nan 8.300 nan 0.000 0.527 60 Y N 4.362 124.314 120.300 -0.580 0.000 2.519 60 Y HA 0.542 5.193 4.550 0.169 0.000 0.336 60 Y C 0.069 175.675 175.900 -0.490 0.000 1.089 60 Y CA -0.647 57.155 58.100 -0.497 0.000 1.025 60 Y CB 1.984 40.263 38.460 -0.301 0.000 1.318 60 Y HN 0.697 nan 8.280 nan 0.000 0.452 61 G N 3.263 111.337 108.800 -1.210 0.000 2.336 61 G HA2 -0.258 3.803 3.960 0.168 0.000 0.194 61 G HA3 -0.258 3.803 3.960 0.168 0.000 0.194 61 G C 0.456 175.090 174.900 -0.443 0.000 0.999 61 G CA 0.157 44.696 45.100 -0.936 0.000 0.669 61 G HN 0.939 nan 8.290 nan 0.000 0.482 62 L N 1.388 122.326 121.223 -0.476 0.000 2.046 62 L HA 0.140 4.581 4.340 0.168 0.000 0.208 62 L C 2.652 179.407 176.870 -0.192 0.000 1.077 62 L CA 3.267 57.907 54.840 -0.333 0.000 0.747 62 L CB -0.523 41.349 42.059 -0.311 0.000 0.896 62 L HN 0.504 nan 8.230 nan 0.000 0.432 63 Q N -1.919 117.827 119.800 -0.091 0.000 2.135 63 Q HA -0.305 4.136 4.340 0.168 0.000 0.204 63 Q C 2.231 178.092 176.000 -0.231 0.000 0.981 63 Q CA 2.141 57.882 55.803 -0.104 0.000 0.856 63 Q CB -0.441 28.249 28.738 -0.079 0.000 0.902 63 Q HN 0.676 nan 8.270 nan 0.000 0.425 64 Y N 0.579 120.648 120.300 -0.385 0.000 2.097 64 Y HA -0.247 4.404 4.550 0.170 0.000 0.282 64 Y C 1.728 177.307 175.900 -0.535 0.000 1.152 64 Y CA 1.976 59.722 58.100 -0.590 0.000 1.136 64 Y CB -0.284 37.890 38.460 -0.477 0.000 0.975 64 Y HN 0.121 nan 8.280 nan 0.000 0.498 65 I N -0.206 120.133 120.570 -0.384 0.000 2.179 65 I HA -0.343 3.927 4.170 0.168 0.000 0.242 65 I C 2.394 178.329 176.117 -0.304 0.000 1.088 65 I CA 1.379 62.484 61.300 -0.326 0.000 1.357 65 I CB -0.489 37.423 38.000 -0.146 0.000 1.051 65 I HN 0.267 nan 8.210 nan 0.000 0.409 66 L N 0.301 121.375 121.223 -0.250 0.000 1.989 66 L HA -0.263 4.178 4.340 0.168 0.000 0.211 66 L C 2.360 179.168 176.870 -0.103 0.000 1.071 66 L CA 1.544 56.287 54.840 -0.161 0.000 0.749 66 L CB -0.864 41.172 42.059 -0.039 0.000 0.890 66 L HN 0.366 nan 8.230 nan 0.000 0.431 67 N N 0.028 118.635 118.700 -0.154 0.000 2.135 67 N HA -0.184 4.656 4.740 0.168 0.000 0.186 67 N C 1.876 177.277 175.510 -0.181 0.000 1.027 67 N CA 1.183 54.184 53.050 -0.081 0.000 0.849 67 N CB -0.043 38.485 38.487 0.069 0.000 1.002 67 N HN 0.321 nan 8.380 nan 0.000 0.425 68 K N -0.435 119.654 120.400 -0.519 0.000 2.155 68 K HA -0.088 4.332 4.320 0.168 0.000 0.203 68 K C 0.865 176.961 176.600 -0.842 0.000 1.052 68 K CA 1.164 56.958 56.287 -0.821 0.000 0.948 68 K CB 0.175 31.709 32.500 -1.611 0.000 0.728 68 K HN 0.145 nan 8.250 nan 0.000 0.448 69 Y N -1.232 118.838 120.300 -0.383 0.000 2.585 69 Y HA 0.200 4.850 4.550 0.167 0.000 0.272 69 Y C 1.453 177.299 175.900 -0.091 0.000 1.119 69 Y CA -0.094 57.794 58.100 -0.354 0.000 1.255 69 Y CB 0.521 38.690 38.460 -0.486 0.000 1.284 69 Y HN -0.124 nan 8.280 nan 0.000 0.499 70 L N 0.306 121.548 121.223 0.032 0.000 2.470 70 L HA 0.144 4.584 4.340 0.168 0.000 0.219 70 L C 0.651 177.657 176.870 0.226 0.000 1.071 70 L CA 0.056 54.914 54.840 0.030 0.000 0.850 70 L CB 0.075 41.938 42.059 -0.326 0.000 1.040 70 L HN -0.022 nan 8.230 nan 0.000 0.475 71 K N 0.669 121.211 120.400 0.238 0.000 2.126 71 K HA 0.558 4.979 4.320 0.168 0.000 0.257 71 K C 0.550 177.173 176.600 0.038 0.000 1.007 71 K CA 0.201 56.641 56.287 0.255 0.000 0.928 71 K CB 1.045 33.653 32.500 0.180 0.000 1.013 71 K HN 0.032 nan 8.250 nan 0.000 0.473 72 G N 1.173 109.915 108.800 -0.096 0.000 2.593 72 G HA2 -0.325 3.735 3.960 0.168 0.000 0.237 72 G HA3 -0.325 3.735 3.960 0.168 0.000 0.237 72 G C -1.026 173.436 174.900 -0.730 0.000 1.312 72 G CA 0.098 44.985 45.100 -0.355 0.000 0.896 72 G HN 0.865 nan 8.290 nan 0.000 0.574 73 K N 0.541 120.653 120.400 -0.481 0.000 2.228 73 K HA 0.433 4.854 4.320 0.168 0.000 0.284 73 K C 1.499 178.055 176.600 -0.074 0.000 1.088 73 K CA 0.306 56.445 56.287 -0.246 0.000 0.941 73 K CB 0.220 32.704 32.500 -0.026 0.000 1.158 73 K HN 1.212 nan 8.250 nan 0.000 0.438 74 V N 1.427 121.327 119.914 -0.023 0.000 3.660 74 V HA 0.184 4.404 4.120 0.168 0.000 0.276 74 V C 0.135 176.259 176.094 0.051 0.000 1.317 74 V CA -0.268 62.068 62.300 0.060 0.000 1.097 74 V CB 0.490 32.390 31.823 0.128 0.000 0.863 74 V HN 0.223 nan 8.190 nan 0.000 0.438 75 V N 2.093 122.050 119.914 0.073 0.000 2.495 75 V HA 0.768 4.989 4.120 0.168 0.000 0.298 75 V C 0.148 176.279 176.094 0.061 0.000 1.031 75 V CA 0.445 62.787 62.300 0.070 0.000 0.871 75 V CB 1.322 33.272 31.823 0.213 0.000 0.988 75 V HN 0.639 nan 8.190 nan 0.000 0.432 76 T N 0.346 114.915 114.554 0.026 0.000 2.865 76 T HA 0.471 4.922 4.350 0.168 0.000 0.294 76 T C 0.645 175.362 174.700 0.028 0.000 1.119 76 T CA -0.830 61.288 62.100 0.030 0.000 1.007 76 T CB 2.195 71.070 68.868 0.012 0.000 1.225 76 T HN 0.401 nan 8.240 nan 0.000 0.515 77 K N 0.199 120.619 120.400 0.032 0.000 2.044 77 K HA -0.165 4.256 4.320 0.168 0.000 0.210 77 K C 1.925 178.532 176.600 0.011 0.000 1.049 77 K CA 2.022 58.328 56.287 0.032 0.000 0.927 77 K CB -0.187 32.330 32.500 0.029 0.000 0.713 77 K HN 0.635 nan 8.250 nan 0.000 0.443 78 E N 0.573 120.769 120.200 -0.006 0.000 2.106 78 E HA -0.116 4.334 4.350 0.168 0.000 0.192 78 E C 1.757 178.321 176.600 -0.059 0.000 0.984 78 E CA 1.172 57.556 56.400 -0.028 0.000 0.806 78 E CB 0.073 29.757 29.700 -0.027 0.000 0.750 78 E HN 0.188 nan 8.360 nan 0.000 0.458 79 K N 0.139 120.498 120.400 -0.069 0.000 2.097 79 K HA -0.031 4.390 4.320 0.168 0.000 0.205 79 K C 2.069 178.577 176.600 -0.153 0.000 1.050 79 K CA 0.942 57.153 56.287 -0.126 0.000 0.938 79 K CB -0.108 32.311 32.500 -0.135 0.000 0.718 79 K HN 0.124 nan 8.250 nan 0.000 0.442 80 I N 0.816 121.342 120.570 -0.073 0.000 2.226 80 I HA -0.288 3.983 4.170 0.168 0.000 0.245 80 I C 2.625 178.732 176.117 -0.017 0.000 1.100 80 I CA 1.105 62.412 61.300 0.011 0.000 1.374 80 I CB -0.144 37.940 38.000 0.140 0.000 1.057 80 I HN 0.163 nan 8.210 nan 0.000 0.413 81 Q N 1.188 120.975 119.800 -0.023 0.000 2.079 81 Q HA -0.247 4.193 4.340 0.168 0.000 0.200 81 Q C 2.032 177.965 176.000 -0.112 0.000 0.974 81 Q CA 1.794 57.576 55.803 -0.034 0.000 0.840 81 Q CB -0.225 28.504 28.738 -0.015 0.000 0.898 81 Q HN 0.437 nan 8.270 nan 0.000 0.430 82 E N -0.864 119.248 120.200 -0.148 0.000 2.058 82 E HA -0.238 4.213 4.350 0.168 0.000 0.194 82 E C 1.732 178.141 176.600 -0.319 0.000 0.997 82 E CA 1.186 57.466 56.400 -0.200 0.000 0.801 82 E CB -0.225 29.360 29.700 -0.191 0.000 0.746 82 E HN 0.445 nan 8.360 nan 0.000 0.450 83 A N 1.546 124.113 122.820 -0.422 0.000 1.877 83 A HA -0.228 4.192 4.320 0.168 0.000 0.216 83 A C 2.128 179.264 177.584 -0.747 0.000 1.186 83 A CA 1.835 53.458 52.037 -0.690 0.000 0.620 83 A CB -0.542 18.017 19.000 -0.736 0.000 0.822 83 A HN 0.230 nan 8.150 nan 0.000 0.443 84 K N -0.559 119.471 120.400 -0.617 0.000 2.074 84 K HA -0.234 4.186 4.320 0.168 0.000 0.209 84 K C 1.336 177.882 176.600 -0.091 0.000 1.048 84 K CA 1.918 58.055 56.287 -0.249 0.000 0.926 84 K CB -0.231 32.301 32.500 0.054 0.000 0.713 84 K HN 0.412 nan 8.250 nan 0.000 0.444 85 D N 0.035 120.359 120.400 -0.128 0.000 2.117 85 D HA -0.114 4.627 4.640 0.168 0.000 0.198 85 D C 1.996 178.235 176.300 -0.101 0.000 0.982 85 D CA 0.895 54.848 54.000 -0.079 0.000 0.828 85 D CB -0.123 40.627 40.800 -0.084 0.000 0.967 85 D HN 0.047 nan 8.370 nan 0.000 0.464 86 V N 0.655 120.431 119.914 -0.230 0.000 2.307 86 V HA -0.250 3.971 4.120 0.168 0.000 0.245 86 V C 2.102 178.108 176.094 -0.146 0.000 1.045 86 V CA 1.367 63.497 62.300 -0.283 0.000 1.024 86 V CB -0.639 30.872 31.823 -0.519 0.000 0.651 86 V HN 0.144 nan 8.190 nan 0.000 0.449 87 Y N 0.501 120.802 120.300 0.002 0.000 2.352 87 Y HA -0.133 4.517 4.550 0.168 0.000 0.292 87 Y C 2.403 178.491 175.900 0.314 0.000 1.136 87 Y CA 1.296 59.537 58.100 0.235 0.000 1.227 87 Y CB -0.603 38.025 38.460 0.280 0.000 0.991 87 Y HN 0.224 nan 8.280 nan 0.000 0.545 88 K N 0.283 120.864 120.400 0.301 0.000 2.057 88 K HA -0.171 4.250 4.320 0.168 0.000 0.207 88 K C 1.788 178.501 176.600 0.190 0.000 1.049 88 K CA 1.644 58.070 56.287 0.232 0.000 0.931 88 K CB 0.138 32.724 32.500 0.143 0.000 0.714 88 K HN 0.103 nan 8.250 nan 0.000 0.440 89 E N -0.458 119.822 120.200 0.135 0.000 2.112 89 E HA -0.168 4.283 4.350 0.168 0.000 0.190 89 E C 1.981 178.645 176.600 0.106 0.000 0.979 89 E CA 1.052 57.507 56.400 0.091 0.000 0.814 89 E CB -0.454 29.270 29.700 0.041 0.000 0.762 89 E HN 0.451 nan 8.360 nan 0.000 0.460 90 H N -0.360 118.712 119.070 0.004 0.000 2.353 90 H HA -0.080 4.577 4.556 0.168 0.000 0.300 90 H C 1.302 176.500 175.328 -0.217 0.000 1.090 90 H CA 1.492 57.463 56.048 -0.129 0.000 1.327 90 H CB -0.155 29.508 29.762 -0.165 0.000 1.383 90 H HN 0.051 nan 8.280 nan 0.000 0.508 91 F N -0.227 119.769 119.950 0.076 0.000 2.746 91 F HA 0.127 4.755 4.527 0.168 0.000 0.297 91 F C 0.777 176.583 175.800 0.011 0.000 1.113 91 F CA 0.183 58.183 58.000 0.001 0.000 1.367 91 F CB 0.381 39.421 39.000 0.068 0.000 1.111 91 F HN -0.013 nan 8.300 nan 0.000 0.590 92 Q N 1.269 121.178 119.800 0.183 0.000 2.468 92 Q HA -0.261 4.180 4.340 0.168 0.000 0.289 92 Q C -0.946 175.136 176.000 0.137 0.000 1.299 92 Q CA 1.315 57.191 55.803 0.122 0.000 0.838 92 Q CB -1.832 26.947 28.738 0.069 0.000 1.195 92 Q HN 0.610 nan 8.270 nan 0.000 0.456 93 D N -1.397 119.113 120.400 0.183 0.000 2.720 93 D HA 0.161 4.902 4.640 0.168 0.000 0.239 93 D C -1.309 175.089 176.300 0.164 0.000 1.218 93 D CA -0.478 53.608 54.000 0.143 0.000 0.748 93 D CB 0.852 41.722 40.800 0.118 0.000 1.387 93 D HN -0.098 nan 8.370 nan 0.000 0.438 94 D N 2.588 123.062 120.400 0.122 0.000 3.072 94 D HA 0.073 4.814 4.640 0.168 0.000 0.250 94 D C 1.045 177.426 176.300 0.134 0.000 1.304 94 D CA 0.034 54.124 54.000 0.151 0.000 0.861 94 D CB 0.522 41.400 40.800 0.130 0.000 1.062 94 D HN 0.165 nan 8.370 nan 0.000 0.481 95 V N 1.055 121.011 119.914 0.069 0.000 3.078 95 V HA -0.040 4.181 4.120 0.168 0.000 0.265 95 V C 0.699 176.866 176.094 0.121 0.000 1.122 95 V CA 0.335 62.637 62.300 0.003 0.000 1.141 95 V CB -0.763 30.906 31.823 -0.257 0.000 0.735 95 V HN 0.204 nan 8.190 nan 0.000 0.498 96 F N 2.087 122.044 119.950 0.012 0.000 2.578 96 F HA 0.175 4.803 4.527 0.168 0.000 0.376 96 F C 0.687 176.439 175.800 -0.080 0.000 1.085 96 F CA -0.250 57.760 58.000 0.017 0.000 1.260 96 F CB 0.069 39.174 39.000 0.174 0.000 1.095 96 F HN 0.122 nan 8.300 nan 0.000 0.573 97 N N 5.183 123.181 118.700 -1.170 0.000 3.050 97 N HA -0.040 4.800 4.740 0.168 0.000 0.289 97 N C 1.136 175.901 175.510 -1.243 0.000 1.209 97 N CA 0.316 52.527 53.050 -1.398 0.000 1.154 97 N CB -0.368 36.855 38.487 -2.106 0.000 1.444 97 N HN 0.883 nan 8.380 nan 0.000 0.529 98 E N 1.648 121.345 120.200 -0.839 0.000 2.077 98 E HA -0.233 4.218 4.350 0.168 0.000 0.193 98 E C 1.377 177.877 176.600 -0.166 0.000 0.989 98 E CA 0.992 57.190 56.400 -0.337 0.000 0.800 98 E CB 0.197 29.920 29.700 0.037 0.000 0.746 98 E HN 0.478 nan 8.360 nan 0.000 0.452 99 K N -0.327 119.955 120.400 -0.196 0.000 2.057 99 K HA -0.118 4.302 4.320 0.168 0.000 0.207 99 K C 2.099 178.647 176.600 -0.088 0.000 1.049 99 K CA 1.429 57.660 56.287 -0.093 0.000 0.931 99 K CB -0.351 32.100 32.500 -0.082 0.000 0.714 99 K HN 0.215 nan 8.250 nan 0.000 0.440 100 G N -0.038 108.579 108.800 -0.305 0.000 2.418 100 G HA2 -0.243 3.818 3.960 0.168 0.000 0.217 100 G HA3 -0.243 3.818 3.960 0.168 0.000 0.217 100 G C 1.076 175.943 174.900 -0.055 0.000 1.158 100 G CA 0.702 45.638 45.100 -0.272 0.000 0.771 100 G HN 0.435 nan 8.290 nan 0.000 0.545 101 W N 0.637 121.845 121.300 -0.153 0.000 2.418 101 W HA 0.089 4.849 4.660 0.168 0.000 0.292 101 W C 2.572 179.139 176.519 0.079 0.000 1.213 101 W CA 0.638 57.986 57.345 0.005 0.000 1.283 101 W CB -0.142 29.269 29.460 -0.081 0.000 1.119 101 W HN 0.192 nan 8.180 nan 0.000 0.542 102 N N -0.778 118.079 118.700 0.262 0.000 2.149 102 N HA -0.297 4.543 4.740 0.168 0.000 0.188 102 N C 1.566 177.187 175.510 0.185 0.000 1.019 102 N CA 1.689 54.855 53.050 0.193 0.000 0.857 102 N CB -0.509 38.058 38.487 0.132 0.000 0.997 102 N HN 0.135 nan 8.380 nan 0.000 0.426 103 Y N 1.345 121.697 120.300 0.086 0.000 2.128 103 Y HA -0.171 4.480 4.550 0.168 0.000 0.284 103 Y C 1.831 177.805 175.900 0.123 0.000 1.154 103 Y CA 1.474 59.621 58.100 0.079 0.000 1.149 103 Y CB -0.224 38.281 38.460 0.075 0.000 0.976 103 Y HN 0.063 nan 8.280 nan 0.000 0.505 104 I N -0.599 120.115 120.570 0.240 0.000 2.226 104 I HA -0.280 3.991 4.170 0.168 0.000 0.245 104 I C 2.301 178.527 176.117 0.182 0.000 1.100 104 I CA 1.210 62.651 61.300 0.237 0.000 1.374 104 I CB -0.480 37.669 38.000 0.248 0.000 1.057 104 I HN 0.319 nan 8.210 nan 0.000 0.413 105 L N 0.874 122.204 121.223 0.178 0.000 2.046 105 L HA -0.203 4.237 4.340 0.168 0.000 0.208 105 L C 2.306 179.203 176.870 0.045 0.000 1.077 105 L CA 1.963 56.885 54.840 0.136 0.000 0.747 105 L CB -0.537 41.606 42.059 0.141 0.000 0.896 105 L HN 0.192 nan 8.230 nan 0.000 0.432 106 E N -0.999 119.186 120.200 -0.024 0.000 2.122 106 E HA -0.193 4.258 4.350 0.168 0.000 0.190 106 E C 2.018 178.493 176.600 -0.209 0.000 0.977 106 E CA 0.831 57.177 56.400 -0.090 0.000 0.820 106 E CB 0.053 29.707 29.700 -0.077 0.000 0.770 106 E HN 0.261 nan 8.360 nan 0.000 0.462 107 K N -0.079 120.084 120.400 -0.395 0.000 2.137 107 K HA -0.044 4.376 4.320 0.168 0.000 0.202 107 K C 0.537 176.712 176.600 -0.708 0.000 1.052 107 K CA 1.054 56.925 56.287 -0.693 0.000 0.961 107 K CB 0.211 31.979 32.500 -1.220 0.000 0.741 107 K HN 0.079 nan 8.250 nan 0.000 0.452 108 Y N 0.075 120.298 120.300 -0.128 0.000 2.682 108 Y HA 0.229 4.880 4.550 0.168 0.000 0.251 108 Y C -0.407 175.507 175.900 0.024 0.000 1.172 108 Y CA -0.629 57.437 58.100 -0.058 0.000 1.186 108 Y CB 0.400 38.850 38.460 -0.016 0.000 1.216 108 Y HN 0.096 nan 8.280 nan 0.000 0.540 109 D N 1.049 121.516 120.400 0.112 0.000 2.708 109 D HA -0.202 4.538 4.640 0.168 0.000 0.236 109 D C 1.360 177.844 176.300 0.307 0.000 1.146 109 D CA 1.571 55.667 54.000 0.161 0.000 0.662 109 D CB -1.084 39.781 40.800 0.108 0.000 1.059 109 D HN 0.745 nan 8.370 nan 0.000 0.428 110 G N -0.614 108.346 108.800 0.267 0.000 2.155 110 G HA2 -0.349 3.712 3.960 0.168 0.000 0.257 110 G HA3 -0.349 3.712 3.960 0.168 0.000 0.257 110 G C 0.104 175.138 174.900 0.224 0.000 0.983 110 G CA 0.464 45.707 45.100 0.239 0.000 0.676 110 G HN 0.697 nan 8.290 nan 0.000 0.528 111 H N -0.550 118.612 119.070 0.152 0.000 2.548 111 H HA 0.567 5.224 4.556 0.168 0.000 0.331 111 H C 0.994 176.368 175.328 0.077 0.000 1.093 111 H CA -0.541 55.577 56.048 0.116 0.000 1.367 111 H CB 0.856 30.659 29.762 0.068 0.000 1.455 111 H HN 0.220 nan 8.280 nan 0.000 0.519 112 L N 5.763 127.103 121.223 0.194 0.000 2.433 112 L HA 0.169 4.610 4.340 0.168 0.000 0.275 112 L C -1.763 175.100 176.870 -0.013 0.000 1.128 112 L CA -1.751 53.157 54.840 0.115 0.000 0.875 112 L CB 0.454 42.645 42.059 0.220 0.000 1.171 112 L HN 0.499 nan 8.230 nan 0.000 0.463 113 P HA 0.173 nan 4.420 nan 0.000 0.237 113 P C -0.648 176.556 177.300 -0.160 0.000 1.788 113 P CA 0.211 63.092 63.100 -0.365 0.000 1.061 113 P CB -0.028 31.295 31.700 -0.629 0.000 1.967 114 I N 0.997 121.575 120.570 0.013 0.000 2.647 114 I HA 0.355 4.626 4.170 0.168 0.000 0.295 114 I C 0.164 176.408 176.117 0.211 0.000 1.078 114 I CA -0.952 60.413 61.300 0.109 0.000 1.048 114 I CB 2.911 41.003 38.000 0.153 0.000 1.239 114 I HN 0.133 nan 8.210 nan 0.000 0.421 115 E N 6.138 126.437 120.200 0.165 0.000 2.176 115 E HA 0.605 5.056 4.350 0.168 0.000 0.267 115 E C -1.468 175.250 176.600 0.197 0.000 0.893 115 E CA -0.507 56.004 56.400 0.186 0.000 0.761 115 E CB 1.657 31.427 29.700 0.118 0.000 1.133 115 E HN 0.448 nan 8.360 nan 0.000 0.409 116 I N 4.459 125.177 120.570 0.246 0.000 2.389 116 I HA 0.336 4.607 4.170 0.168 0.000 0.288 116 I C -0.375 175.848 176.117 0.177 0.000 0.999 116 I CA -0.723 60.693 61.300 0.193 0.000 1.129 116 I CB 1.623 39.702 38.000 0.131 0.000 1.288 116 I HN 0.299 nan 8.210 nan 0.000 0.444 117 K N 5.301 125.795 120.400 0.158 0.000 2.221 117 K HA 0.880 5.301 4.320 0.168 0.000 0.258 117 K C -0.942 175.742 176.600 0.140 0.000 0.944 117 K CA -0.628 55.738 56.287 0.132 0.000 0.823 117 K CB 2.558 35.113 32.500 0.091 0.000 1.113 117 K HN 0.681 nan 8.250 nan 0.000 0.431 118 A N 1.425 124.313 122.820 0.113 0.000 2.539 118 A HA 0.528 4.949 4.320 0.168 0.000 0.296 118 A C -0.528 177.019 177.584 -0.061 0.000 1.073 118 A CA -0.899 51.161 52.037 0.039 0.000 0.700 118 A CB 1.011 20.093 19.000 0.135 0.000 1.296 118 A HN 0.523 nan 8.150 nan 0.000 0.405 119 V N -0.672 119.061 119.914 -0.302 0.000 2.872 119 V HA 0.400 4.621 4.120 0.168 0.000 0.307 119 V C -2.516 173.413 176.094 -0.275 0.000 1.072 119 V CA -1.339 60.756 62.300 -0.342 0.000 1.148 119 V CB -0.312 31.268 31.823 -0.405 0.000 0.954 119 V HN 0.662 nan 8.190 nan 0.000 0.490 120 P HA 0.126 nan 4.420 nan 0.000 0.266 120 P C -0.130 176.927 177.300 -0.404 0.000 1.195 120 P CA 0.162 62.826 63.100 -0.726 0.000 0.768 120 P CB 0.246 31.377 31.700 -0.948 0.000 0.838 121 E N 1.468 121.393 120.200 -0.457 0.000 2.392 121 E HA 0.245 4.696 4.350 0.168 0.000 0.264 121 E C 1.254 177.848 176.600 -0.011 0.000 1.024 121 E CA 0.702 57.085 56.400 -0.028 0.000 0.903 121 E CB 0.060 29.780 29.700 0.034 0.000 0.963 121 E HN 0.772 nan 8.360 nan 0.000 0.432 122 G N 2.712 111.561 108.800 0.082 0.000 2.284 122 G HA2 -0.284 3.777 3.960 0.168 0.000 0.230 122 G HA3 -0.284 3.777 3.960 0.168 0.000 0.230 122 G C 0.072 175.057 174.900 0.142 0.000 1.021 122 G CA -0.400 44.714 45.100 0.024 0.000 0.619 122 G HN 0.445 nan 8.290 nan 0.000 0.510 123 F N 1.391 121.335 119.950 -0.010 0.000 2.629 123 F HA 0.403 5.031 4.527 0.169 0.000 0.377 123 F C 1.072 176.863 175.800 -0.015 0.000 1.101 123 F CA 0.054 58.052 58.000 -0.004 0.000 1.301 123 F CB 1.062 40.055 39.000 -0.011 0.000 1.062 123 F HN 0.034 nan 8.300 nan 0.000 0.583 124 V N 6.397 126.298 119.914 -0.021 0.000 2.333 124 V HA 0.331 4.552 4.120 0.168 0.000 0.274 124 V C 0.022 176.028 176.094 -0.147 0.000 1.028 124 V CA -0.586 61.691 62.300 -0.038 0.000 0.851 124 V CB 0.895 32.692 31.823 -0.043 0.000 1.000 124 V HN 0.336 nan 8.190 nan 0.000 0.456 125 I N 6.509 126.987 120.570 -0.153 0.000 2.465 125 I HA 0.479 4.750 4.170 0.168 0.000 0.291 125 I C -2.519 173.523 176.117 -0.125 0.000 1.014 125 I CA -2.643 58.447 61.300 -0.350 0.000 1.093 125 I CB 2.038 39.826 38.000 -0.354 0.000 1.267 125 I HN 0.335 nan 8.210 nan 0.000 0.431 126 P HA 0.087 nan 4.420 nan 0.000 0.268 126 P C -0.056 177.256 177.300 0.020 0.000 1.208 126 P CA -0.291 62.823 63.100 0.023 0.000 0.777 126 P CB 0.439 32.187 31.700 0.080 0.000 0.875 127 R N 1.495 122.023 120.500 0.046 0.000 2.698 127 R HA 0.250 4.691 4.340 0.168 0.000 0.266 127 R C 1.341 177.660 176.300 0.032 0.000 1.026 127 R CA 1.073 57.200 56.100 0.044 0.000 1.102 127 R CB -0.944 29.389 30.300 0.055 0.000 0.978 127 R HN 0.917 nan 8.270 nan 0.000 0.436 128 G N 1.670 110.485 108.800 0.024 0.000 2.149 128 G HA2 -0.285 3.776 3.960 0.168 0.000 0.235 128 G HA3 -0.285 3.776 3.960 0.168 0.000 0.235 128 G C -0.301 174.611 174.900 0.020 0.000 1.018 128 G CA 0.153 45.267 45.100 0.023 0.000 0.728 128 G HN 0.646 nan 8.290 nan 0.000 0.508 129 N N -1.360 117.349 118.700 0.015 0.000 2.272 129 N HA 0.537 5.378 4.740 0.168 0.000 0.305 129 N C -0.030 175.485 175.510 0.008 0.000 1.103 129 N CA -0.622 52.427 53.050 -0.002 0.000 0.791 129 N CB 2.709 41.181 38.487 -0.025 0.000 1.356 129 N HN 0.240 nan 8.380 nan 0.000 0.486 130 V N 3.397 123.304 119.914 -0.012 0.000 2.540 130 V HA 0.019 4.239 4.120 0.168 0.000 0.297 130 V C 0.517 176.585 176.094 -0.042 0.000 1.024 130 V CA 0.804 63.111 62.300 0.012 0.000 1.105 130 V CB -0.228 31.561 31.823 -0.056 0.000 0.938 130 V HN 0.646 nan 8.190 nan 0.000 0.482 131 L N 6.607 127.811 121.223 -0.030 0.000 2.445 131 L HA 0.398 4.838 4.340 0.168 0.000 0.207 131 L C 0.230 176.976 176.870 -0.207 0.000 1.053 131 L CA 0.320 55.051 54.840 -0.181 0.000 0.841 131 L CB 0.086 42.147 42.059 0.004 0.000 1.074 131 L HN 0.750 nan 8.230 nan 0.000 0.479 132 F N -1.296 118.619 119.950 -0.058 0.000 2.645 132 F HA 0.667 5.294 4.527 0.167 0.000 0.310 132 F C -0.616 175.201 175.800 0.028 0.000 1.102 132 F CA -1.010 56.967 58.000 -0.039 0.000 0.952 132 F CB 1.172 40.173 39.000 0.002 0.000 1.326 132 F HN -0.186 nan 8.300 nan 0.000 0.456 133 T N -0.268 114.409 114.554 0.205 0.000 2.907 133 T HA 0.851 5.302 4.350 0.168 0.000 0.292 133 T C -1.436 173.304 174.700 0.067 0.000 1.043 133 T CA -0.834 61.242 62.100 -0.039 0.000 1.003 133 T CB 1.694 70.409 68.868 -0.255 0.000 1.084 133 T HN 0.818 nan 8.240 nan 0.000 0.483 134 V N 2.196 122.062 119.914 -0.079 0.000 2.709 134 V HA 0.765 4.986 4.120 0.168 0.000 0.308 134 V C -0.644 175.432 176.094 -0.029 0.000 1.062 134 V CA -0.860 61.485 62.300 0.074 0.000 0.901 134 V CB 1.556 33.562 31.823 0.306 0.000 1.003 134 V HN 1.187 nan 8.190 nan 0.000 0.425 135 E N 2.794 123.033 120.200 0.065 0.000 2.392 135 E HA 0.408 4.859 4.350 0.168 0.000 0.279 135 E C -1.572 175.072 176.600 0.073 0.000 0.964 135 E CA -1.013 55.453 56.400 0.110 0.000 0.777 135 E CB 2.024 31.866 29.700 0.236 0.000 1.249 135 E HN 0.625 nan 8.360 nan 0.000 0.449 136 N N 0.981 119.701 118.700 0.032 0.000 2.529 136 N HA 0.032 4.873 4.740 0.168 0.000 0.278 136 N C 0.515 176.021 175.510 -0.007 0.000 1.146 136 N CA 0.088 53.111 53.050 -0.045 0.000 0.980 136 N CB 1.424 39.831 38.487 -0.134 0.000 1.124 136 N HN 0.689 nan 8.380 nan 0.000 0.458 137 T N -3.552 110.976 114.554 -0.044 0.000 3.040 137 T HA 0.055 4.505 4.350 0.168 0.000 0.250 137 T C -0.033 174.664 174.700 -0.005 0.000 1.058 137 T CA -0.035 62.053 62.100 -0.019 0.000 0.988 137 T CB 0.073 68.913 68.868 -0.047 0.000 0.993 137 T HN 0.565 nan 8.240 nan 0.000 0.519 138 D N 1.315 121.702 120.400 -0.022 0.000 2.629 138 D HA 0.344 5.084 4.640 0.168 0.000 0.250 138 D C -2.320 173.998 176.300 0.031 0.000 1.126 138 D CA -2.280 51.760 54.000 0.065 0.000 0.852 138 D CB 2.741 43.648 40.800 0.180 0.000 1.335 138 D HN -0.182 nan 8.370 nan 0.000 0.518 139 P HA -0.069 nan 4.420 nan 0.000 0.222 139 P C 0.881 178.223 177.300 0.070 0.000 1.147 139 P CA 0.705 63.833 63.100 0.047 0.000 0.790 139 P CB 0.511 32.233 31.700 0.037 0.000 0.780 140 E N -1.323 118.874 120.200 -0.004 0.000 2.274 140 E HA -0.057 4.394 4.350 0.168 0.000 0.194 140 E C 0.687 177.241 176.600 -0.076 0.000 0.996 140 E CA 0.714 57.061 56.400 -0.088 0.000 0.840 140 E CB -0.552 28.801 29.700 -0.579 0.000 0.772 140 E HN 0.264 nan 8.360 nan 0.000 0.491 141 C N 1.714 120.878 119.300 -0.226 0.000 2.470 141 C HA 0.158 4.719 4.460 0.168 0.000 0.311 141 C C 1.794 176.316 174.990 -0.780 0.000 1.387 141 C CA -1.086 57.485 59.018 -0.745 0.000 1.783 141 C CB -2.222 25.144 27.740 -0.625 0.000 2.416 141 C HN 0.468 nan 8.230 nan 0.000 0.558 142 Y N 0.226 120.304 120.300 -0.370 0.000 2.193 142 Y HA -0.229 4.421 4.550 0.168 0.000 0.285 142 Y C 2.207 177.928 175.900 -0.298 0.000 1.166 142 Y CA 1.757 59.694 58.100 -0.273 0.000 1.181 142 Y CB -0.948 37.407 38.460 -0.173 0.000 0.976 142 Y HN 0.629 nan 8.280 nan 0.000 0.520 143 W N 0.278 121.040 121.300 -0.896 0.000 2.699 143 W HA 0.038 4.798 4.660 0.168 0.000 0.249 143 W C 1.207 177.662 176.519 -0.107 0.000 1.280 143 W CA 0.288 57.366 57.345 -0.445 0.000 1.345 143 W CB -0.849 28.303 29.460 -0.514 0.000 1.128 143 W HN 0.270 nan 8.180 nan 0.000 0.642 144 L N 2.417 123.140 121.223 -0.834 0.000 2.240 144 L HA -0.016 4.425 4.340 0.168 0.000 0.211 144 L C 2.400 179.210 176.870 -0.099 0.000 1.106 144 L CA 2.175 56.605 54.840 -0.683 0.000 0.793 144 L CB -0.940 40.408 42.059 -1.186 0.000 0.927 144 L HN -0.188 nan 8.230 nan 0.000 0.446 145 T N -0.128 114.388 114.554 -0.063 0.000 2.665 145 T HA -0.218 4.232 4.350 0.168 0.000 0.268 145 T C 1.678 176.543 174.700 0.275 0.000 1.035 145 T CA 2.138 64.304 62.100 0.111 0.000 1.151 145 T CB -0.350 68.584 68.868 0.109 0.000 0.862 145 T HN 0.470 nan 8.240 nan 0.000 0.438 146 N N -0.562 118.334 118.700 0.327 0.000 2.373 146 N HA -0.009 4.832 4.740 0.168 0.000 0.181 146 N C 1.535 177.237 175.510 0.322 0.000 1.082 146 N CA -0.064 53.210 53.050 0.374 0.000 0.885 146 N CB 0.074 38.828 38.487 0.446 0.000 0.977 146 N HN 0.473 nan 8.380 nan 0.000 0.462 147 W N 3.115 124.547 121.300 0.221 0.000 2.338 147 W HA -0.123 4.638 4.660 0.168 0.000 0.304 147 W C 1.551 178.165 176.519 0.158 0.000 1.212 147 W CA 1.053 58.545 57.345 0.245 0.000 1.264 147 W CB -0.087 29.613 29.460 0.402 0.000 1.142 147 W HN -0.001 nan 8.180 nan 0.000 0.512 148 I N -0.903 119.915 120.570 0.413 0.000 3.735 148 I HA 0.033 4.304 4.170 0.168 0.000 0.310 148 I C 1.875 177.974 176.117 -0.030 0.000 1.270 148 I CA 0.851 62.291 61.300 0.233 0.000 1.207 148 I CB -0.686 37.429 38.000 0.191 0.000 1.013 148 I HN -0.018 nan 8.210 nan 0.000 0.452 149 E N 2.123 122.217 120.200 -0.175 0.000 2.058 149 E HA -0.230 4.221 4.350 0.168 0.000 0.194 149 E C 1.799 178.194 176.600 -0.341 0.000 0.997 149 E CA 2.509 58.524 56.400 -0.642 0.000 0.801 149 E CB -0.084 29.260 29.700 -0.593 0.000 0.746 149 E HN 0.576 nan 8.360 nan 0.000 0.450 150 T N 1.317 115.786 114.554 -0.142 0.000 2.665 150 T HA -0.181 4.270 4.350 0.168 0.000 0.268 150 T C 1.951 176.638 174.700 -0.022 0.000 1.035 150 T CA 1.683 63.755 62.100 -0.047 0.000 1.151 150 T CB -0.285 68.564 68.868 -0.032 0.000 0.862 150 T HN 0.199 nan 8.240 nan 0.000 0.438 151 I N 0.487 121.038 120.570 -0.032 0.000 2.179 151 I HA -0.126 4.144 4.170 0.168 0.000 0.242 151 I C 2.305 178.395 176.117 -0.045 0.000 1.088 151 I CA 1.241 62.512 61.300 -0.049 0.000 1.357 151 I CB -0.335 37.648 38.000 -0.027 0.000 1.051 151 I HN 0.183 nan 8.210 nan 0.000 0.409 152 L N -0.417 120.774 121.223 -0.054 0.000 2.109 152 L HA -0.151 4.289 4.340 0.168 0.000 0.207 152 L C 2.518 179.461 176.870 0.121 0.000 1.086 152 L CA 0.749 55.580 54.840 -0.015 0.000 0.760 152 L CB -0.491 41.600 42.059 0.053 0.000 0.910 152 L HN 0.064 nan 8.230 nan 0.000 0.437 153 V N -0.297 119.703 119.914 0.143 0.000 2.594 153 V HA -0.286 3.935 4.120 0.168 0.000 0.253 153 V C 2.306 178.671 176.094 0.451 0.000 1.069 153 V CA 1.474 63.999 62.300 0.374 0.000 1.082 153 V CB -0.544 31.453 31.823 0.290 0.000 0.680 153 V HN 0.526 nan 8.190 nan 0.000 0.469 154 Q N 0.219 120.183 119.800 0.273 0.000 2.508 154 Q HA -0.154 4.287 4.340 0.168 0.000 0.214 154 Q C 2.272 178.238 176.000 -0.057 0.000 0.979 154 Q CA 1.364 57.274 55.803 0.178 0.000 0.911 154 Q CB -0.275 28.501 28.738 0.064 0.000 0.969 154 Q HN 0.840 nan 8.270 nan 0.000 0.504 155 S N 0.548 116.245 115.700 -0.005 0.000 2.500 155 S HA -0.150 4.420 4.470 0.168 0.000 0.239 155 S C 1.571 176.149 174.600 -0.037 0.000 0.989 155 S CA 0.531 58.656 58.200 -0.126 0.000 0.951 155 S CB -0.783 62.288 63.200 -0.214 0.000 0.759 155 S HN 0.701 nan 8.310 nan 0.000 0.523 156 W N 0.847 122.257 121.300 0.184 0.000 2.325 156 W HA -0.255 4.504 4.660 0.165 0.000 0.299 156 W C 1.799 178.439 176.519 0.201 0.000 1.215 156 W CA 0.911 58.433 57.345 0.295 0.000 1.244 156 W CB -1.112 28.543 29.460 0.325 0.000 1.140 156 W HN 0.393 nan 8.180 nan 0.000 0.523 157 Y N 4.012 123.642 120.300 -1.115 0.000 2.130 157 Y HA -0.079 4.572 4.550 0.169 0.000 0.287 157 Y C -0.073 175.552 175.900 -0.459 0.000 1.124 157 Y CA 2.131 59.474 58.100 -1.261 0.000 1.118 157 Y CB -1.910 35.679 38.460 -1.451 0.000 0.994 157 Y HN -0.252 nan 8.280 nan 0.000 0.497 158 P HA -0.189 nan 4.420 nan 0.000 0.216 158 P C 1.781 178.991 177.300 -0.151 0.000 1.150 158 P CA 2.002 64.906 63.100 -0.328 0.000 0.837 158 P CB -0.165 31.356 31.700 -0.298 0.000 0.786 159 I N -0.217 120.289 120.570 -0.108 0.000 2.163 159 I HA -0.224 4.047 4.170 0.168 0.000 0.243 159 I C 2.307 178.445 176.117 0.035 0.000 1.085 159 I CA 1.944 63.260 61.300 0.026 0.000 1.347 159 I CB -1.196 36.901 38.000 0.162 0.000 1.044 159 I HN -0.002 nan 8.210 nan 0.000 0.408 160 T N 0.166 114.738 114.554 0.029 0.000 2.812 160 T HA -0.089 4.362 4.350 0.168 0.000 0.264 160 T C 2.002 176.665 174.700 -0.062 0.000 1.042 160 T CA 1.065 63.187 62.100 0.036 0.000 1.140 160 T CB -0.248 68.754 68.868 0.223 0.000 0.870 160 T HN 0.090 nan 8.240 nan 0.000 0.445 161 V N 1.874 121.660 119.914 -0.213 0.000 2.295 161 V HA -0.164 4.056 4.120 0.168 0.000 0.246 161 V C 2.940 178.989 176.094 -0.075 0.000 1.049 161 V CA 1.738 63.912 62.300 -0.210 0.000 1.024 161 V CB -1.245 30.312 31.823 -0.443 0.000 0.648 161 V HN 0.525 nan 8.190 nan 0.000 0.447 162 A N -0.294 122.483 122.820 -0.073 0.000 1.902 162 A HA -0.229 4.192 4.320 0.168 0.000 0.217 162 A C 2.393 179.978 177.584 0.001 0.000 1.181 162 A CA 2.576 54.582 52.037 -0.051 0.000 0.623 162 A CB -0.934 18.025 19.000 -0.069 0.000 0.818 162 A HN 0.521 nan 8.150 nan 0.000 0.443 163 T N -0.063 114.512 114.554 0.035 0.000 2.737 163 T HA -0.132 4.319 4.350 0.168 0.000 0.265 163 T C 1.957 176.758 174.700 0.169 0.000 1.038 163 T CA 1.591 63.748 62.100 0.095 0.000 1.144 163 T CB -0.432 68.498 68.868 0.103 0.000 0.866 163 T HN 0.660 nan 8.240 nan 0.000 0.434 164 N N 0.828 119.619 118.700 0.152 0.000 2.166 164 N HA -0.091 4.750 4.740 0.168 0.000 0.186 164 N C 2.002 177.627 175.510 0.193 0.000 1.019 164 N CA 1.492 54.691 53.050 0.248 0.000 0.856 164 N CB -0.372 38.206 38.487 0.152 0.000 0.993 164 N HN 0.210 nan 8.380 nan 0.000 0.426 165 S N -0.178 115.617 115.700 0.159 0.000 2.368 165 S HA -0.101 4.470 4.470 0.168 0.000 0.225 165 S C 2.001 176.752 174.600 0.251 0.000 1.030 165 S CA 1.033 59.379 58.200 0.243 0.000 0.999 165 S CB -0.332 63.041 63.200 0.288 0.000 0.844 165 S HN 0.414 nan 8.310 nan 0.000 0.459 166 R N 0.342 120.911 120.500 0.115 0.000 2.092 166 R HA -0.014 4.427 4.340 0.168 0.000 0.231 166 R C 2.050 178.383 176.300 0.056 0.000 1.119 166 R CA 1.396 57.513 56.100 0.029 0.000 0.970 166 R CB -0.146 30.142 30.300 -0.020 0.000 0.864 166 R HN 0.343 nan 8.270 nan 0.000 0.440 167 E N 0.654 120.912 120.200 0.096 0.000 2.150 167 E HA -0.197 4.254 4.350 0.168 0.000 0.193 167 E C 1.939 178.568 176.600 0.048 0.000 0.985 167 E CA 1.158 57.590 56.400 0.054 0.000 0.814 167 E CB -0.029 29.693 29.700 0.037 0.000 0.752 167 E HN 0.526 nan 8.360 nan 0.000 0.466 168 Q N 0.398 120.256 119.800 0.096 0.000 2.119 168 Q HA -0.103 4.337 4.340 0.168 0.000 0.201 168 Q C 2.180 178.274 176.000 0.155 0.000 0.972 168 Q CA 1.084 56.937 55.803 0.082 0.000 0.847 168 Q CB -0.069 28.709 28.738 0.066 0.000 0.903 168 Q HN 0.092 nan 8.270 nan 0.000 0.433 169 K N 1.209 121.760 120.400 0.252 0.000 2.057 169 K HA -0.177 4.244 4.320 0.168 0.000 0.207 169 K C 1.823 178.463 176.600 0.067 0.000 1.049 169 K CA 1.231 57.634 56.287 0.193 0.000 0.931 169 K CB 0.150 32.571 32.500 -0.131 0.000 0.714 169 K HN 0.012 nan 8.250 nan 0.000 0.440 170 K N 0.334 120.754 120.400 0.034 0.000 2.063 170 K HA -0.144 4.277 4.320 0.168 0.000 0.208 170 K C 2.098 178.728 176.600 0.051 0.000 1.048 170 K CA 1.734 58.032 56.287 0.017 0.000 0.928 170 K CB -0.179 32.322 32.500 0.001 0.000 0.713 170 K HN 0.173 nan 8.250 nan 0.000 0.442 171 I N 1.081 121.691 120.570 0.068 0.000 2.179 171 I HA -0.296 3.975 4.170 0.168 0.000 0.242 171 I C 2.216 178.444 176.117 0.187 0.000 1.088 171 I CA 1.198 62.572 61.300 0.124 0.000 1.357 171 I CB -0.240 37.782 38.000 0.038 0.000 1.051 171 I HN 0.095 nan 8.210 nan 0.000 0.409 172 L N 0.408 121.704 121.223 0.121 0.000 2.042 172 L HA -0.230 4.210 4.340 0.168 0.000 0.210 172 L C 2.835 179.796 176.870 0.151 0.000 1.076 172 L CA 1.462 56.392 54.840 0.151 0.000 0.749 172 L CB -0.750 41.419 42.059 0.182 0.000 0.893 172 L HN 0.258 nan 8.230 nan 0.000 0.432 173 A N 0.042 122.923 122.820 0.101 0.000 1.883 173 A HA -0.282 4.139 4.320 0.168 0.000 0.217 173 A C 2.396 180.002 177.584 0.036 0.000 1.186 173 A CA 2.148 54.216 52.037 0.051 0.000 0.624 173 A CB -0.525 18.480 19.000 0.008 0.000 0.822 173 A HN 0.362 nan 8.150 nan 0.000 0.444 174 K N -1.645 118.777 120.400 0.037 0.000 2.009 174 K HA -0.206 4.215 4.320 0.168 0.000 0.210 174 K C 1.846 178.373 176.600 -0.122 0.000 1.049 174 K CA 2.036 58.288 56.287 -0.057 0.000 0.929 174 K CB -0.372 32.077 32.500 -0.086 0.000 0.714 174 K HN 0.554 nan 8.250 nan 0.000 0.440 175 Y N 0.227 120.515 120.300 -0.019 0.000 2.337 175 Y HA -0.125 4.636 4.550 0.351 0.000 0.293 175 Y C 2.048 177.914 175.900 -0.057 0.000 1.123 175 Y CA 0.567 58.645 58.100 -0.036 0.000 1.201 175 Y CB -0.057 38.397 38.460 -0.009 0.000 1.011 175 Y HN 0.101 nan 8.280 nan 0.000 0.545 176 L N -0.398 120.895 121.223 0.117 0.000 2.046 176 L HA -0.180 4.261 4.340 0.168 0.000 0.208 176 L C 2.166 179.033 176.870 -0.005 0.000 1.077 176 L CA 1.439 56.311 54.840 0.054 0.000 0.747 176 L CB -0.916 41.188 42.059 0.074 0.000 0.896 176 L HN 0.241 nan 8.230 nan 0.000 0.432 177 L N -0.411 120.803 121.223 -0.015 0.000 2.046 177 L HA -0.207 4.233 4.340 0.168 0.000 0.208 177 L C 2.488 179.321 176.870 -0.061 0.000 1.077 177 L CA 1.923 56.743 54.840 -0.034 0.000 0.747 177 L CB -0.704 41.333 42.059 -0.037 0.000 0.896 177 L HN 0.465 nan 8.230 nan 0.000 0.432 178 E N -1.360 118.778 120.200 -0.104 0.000 2.106 178 E HA -0.192 4.258 4.350 0.168 0.000 0.192 178 E C 1.739 178.227 176.600 -0.187 0.000 0.984 178 E CA 1.540 57.862 56.400 -0.128 0.000 0.806 178 E CB 0.036 29.623 29.700 -0.189 0.000 0.750 178 E HN 0.703 nan 8.360 nan 0.000 0.458 179 T N -2.544 111.826 114.554 -0.306 0.000 3.065 179 T HA 0.057 4.508 4.350 0.168 0.000 0.252 179 T C 1.651 176.225 174.700 -0.210 0.000 1.099 179 T CA 0.747 62.472 62.100 -0.625 0.000 1.063 179 T CB 0.396 68.816 68.868 -0.747 0.000 0.948 179 T HN 0.116 nan 8.240 nan 0.000 0.506 180 S N -0.547 115.105 115.700 -0.080 0.000 2.653 180 S HA 0.511 5.082 4.470 0.168 0.000 0.259 180 S C 1.802 176.407 174.600 0.008 0.000 1.076 180 S CA 0.621 58.818 58.200 -0.006 0.000 1.051 180 S CB 0.015 63.215 63.200 0.001 0.000 0.994 180 S HN 1.228 nan 8.310 nan 0.000 0.552 181 G N 1.889 110.686 108.800 -0.004 0.000 2.157 181 G HA2 -0.197 3.863 3.960 0.168 0.000 0.239 181 G HA3 -0.197 3.863 3.960 0.168 0.000 0.239 181 G C -0.224 174.675 174.900 -0.001 0.000 0.982 181 G CA 0.345 45.446 45.100 0.001 0.000 0.650 181 G HN 1.202 nan 8.290 nan 0.000 0.527 182 N N -1.805 116.894 118.700 -0.001 0.000 3.106 182 N HA 0.631 5.472 4.740 0.168 0.000 0.253 182 N C -0.010 175.504 175.510 0.006 0.000 1.506 182 N CA -1.018 52.033 53.050 0.001 0.000 0.876 182 N CB 0.392 38.882 38.487 0.005 0.000 1.452 182 N HN 0.042 nan 8.380 nan 0.000 0.542 183 L N -0.680 120.548 121.223 0.007 0.000 3.066 183 L HA 0.408 4.849 4.340 0.168 0.000 0.265 183 L C -0.809 176.076 176.870 0.026 0.000 1.232 183 L CA -0.482 54.366 54.840 0.014 0.000 1.031 183 L CB -0.251 41.807 42.059 -0.002 0.000 1.379 183 L HN 0.482 nan 8.230 nan 0.000 0.563 184 D N 1.728 122.144 120.400 0.027 0.000 2.472 184 D HA 0.236 4.977 4.640 0.168 0.000 0.248 184 D C 1.345 177.683 176.300 0.064 0.000 1.174 184 D CA 1.342 55.364 54.000 0.037 0.000 0.883 184 D CB 1.019 41.834 40.800 0.024 0.000 1.149 184 D HN 0.362 nan 8.370 nan 0.000 0.488 185 G N 2.008 110.867 108.800 0.098 0.000 2.153 185 G HA2 -0.342 3.718 3.960 0.168 0.000 0.252 185 G HA3 -0.342 3.718 3.960 0.168 0.000 0.252 185 G C 1.004 176.022 174.900 0.198 0.000 0.994 185 G CA 0.491 45.697 45.100 0.176 0.000 0.698 185 G HN 0.519 nan 8.290 nan 0.000 0.521 186 L N 0.478 121.776 121.223 0.126 0.000 2.042 186 L HA 0.114 4.555 4.340 0.168 0.000 0.210 186 L C 2.194 179.158 176.870 0.157 0.000 1.076 186 L CA 2.960 57.875 54.840 0.125 0.000 0.749 186 L CB -0.368 41.715 42.059 0.040 0.000 0.893 186 L HN 0.394 nan 8.230 nan 0.000 0.432 187 E N -2.000 118.217 120.200 0.029 0.000 2.516 187 E HA -0.139 4.312 4.350 0.168 0.000 0.199 187 E C 0.442 176.991 176.600 -0.084 0.000 1.069 187 E CA 0.540 56.867 56.400 -0.121 0.000 0.876 187 E CB 0.001 29.526 29.700 -0.292 0.000 0.843 187 E HN 0.624 nan 8.360 nan 0.000 0.530 188 Y N -1.213 119.237 120.300 0.250 0.000 2.588 188 Y HA 0.193 4.840 4.550 0.163 0.000 0.247 188 Y C 1.350 177.351 175.900 0.167 0.000 1.157 188 Y CA -0.335 57.887 58.100 0.204 0.000 1.215 188 Y CB 0.766 39.297 38.460 0.119 0.000 1.245 188 Y HN -0.163 nan 8.280 nan 0.000 0.534 189 K N 0.220 120.814 120.400 0.324 0.000 2.366 189 K HA 0.113 4.534 4.320 0.168 0.000 0.198 189 K C -0.203 176.437 176.600 0.067 0.000 1.044 189 K CA 0.443 56.863 56.287 0.222 0.000 0.973 189 K CB 0.311 32.983 32.500 0.288 0.000 0.767 189 K HN 0.133 nan 8.250 nan 0.000 0.475 190 L N 0.852 121.905 121.223 -0.284 0.000 2.377 190 L HA 0.277 4.718 4.340 0.168 0.000 0.270 190 L C -1.282 175.357 176.870 -0.385 0.000 0.991 190 L CA -0.726 53.804 54.840 -0.517 0.000 0.851 190 L CB 1.100 42.523 42.059 -1.060 0.000 1.218 190 L HN 0.005 nan 8.230 nan 0.000 0.420 191 H N 2.350 121.190 119.070 -0.384 0.000 2.502 191 H HA 0.331 4.985 4.556 0.163 0.000 0.327 191 H C -0.759 174.163 175.328 -0.676 0.000 1.099 191 H CA -0.109 55.669 56.048 -0.450 0.000 1.323 191 H CB 1.077 30.478 29.762 -0.602 0.000 1.450 191 H HN 0.603 nan 8.280 nan 0.000 0.502 192 D N 4.089 124.098 120.400 -0.652 0.000 2.352 192 D HA -0.006 4.735 4.640 0.168 0.000 0.245 192 D C -0.545 175.671 176.300 -0.140 0.000 1.224 192 D CA -0.002 53.697 54.000 -0.503 0.000 0.879 192 D CB -0.024 40.530 40.800 -0.410 0.000 1.057 192 D HN 0.417 nan 8.370 nan 0.000 0.491 193 F N 1.590 121.538 119.950 -0.003 0.000 2.647 193 F HA 0.323 4.949 4.527 0.166 0.000 0.300 193 F C 2.058 177.891 175.800 0.055 0.000 1.106 193 F CA -0.714 57.326 58.000 0.065 0.000 1.313 193 F CB 0.557 39.593 39.000 0.060 0.000 1.007 193 F HN 0.497 nan 8.300 nan 0.000 0.536 194 G N -1.642 107.264 108.800 0.176 0.000 2.920 194 G HA2 -0.188 3.873 3.960 0.168 0.000 0.208 194 G HA3 -0.188 3.873 3.960 0.168 0.000 0.208 194 G C 1.514 176.526 174.900 0.188 0.000 1.159 194 G CA 0.028 45.209 45.100 0.134 0.000 0.784 194 G HN 0.407 nan 8.290 nan 0.000 0.535 195 Y N 1.790 122.135 120.300 0.075 0.000 2.114 195 Y HA -0.296 4.354 4.550 0.167 0.000 0.282 195 Y C 3.061 178.987 175.900 0.044 0.000 1.165 195 Y CA 1.721 59.853 58.100 0.055 0.000 1.148 195 Y CB 0.219 38.713 38.460 0.057 0.000 0.972 195 Y HN 0.313 nan 8.280 nan 0.000 0.504 196 R N -0.488 120.137 120.500 0.208 0.000 2.193 196 R HA 0.026 4.467 4.340 0.168 0.000 0.213 196 R C 1.901 178.254 176.300 0.088 0.000 1.055 196 R CA 1.208 57.358 56.100 0.082 0.000 0.995 196 R CB -0.689 29.625 30.300 0.024 0.000 0.893 196 R HN 0.273 nan 8.270 nan 0.000 0.459 197 G N 1.867 110.733 108.800 0.110 0.000 3.141 197 G HA2 0.182 4.243 3.960 0.168 0.000 0.218 197 G HA3 0.182 4.243 3.960 0.168 0.000 0.218 197 G C 0.531 175.485 174.900 0.089 0.000 1.170 197 G CA 0.220 45.372 45.100 0.088 0.000 0.769 197 G HN 0.207 nan 8.290 nan 0.000 0.546 198 V N -1.865 118.112 119.914 0.105 0.000 3.234 198 V HA 0.623 4.844 4.120 0.168 0.000 0.317 198 V C 1.354 177.484 176.094 0.059 0.000 1.081 198 V CA 0.234 62.584 62.300 0.083 0.000 1.037 198 V CB 1.321 33.197 31.823 0.089 0.000 1.148 198 V HN 0.110 nan 8.190 nan 0.000 0.453 199 S N -0.075 115.639 115.700 0.023 0.000 2.470 199 S HA 0.202 4.773 4.470 0.168 0.000 0.225 199 S C 0.793 175.403 174.600 0.017 0.000 1.006 199 S CA 0.412 58.620 58.200 0.012 0.000 0.934 199 S CB -0.575 62.618 63.200 -0.013 0.000 0.778 199 S HN 1.721 nan 8.310 nan 0.000 0.517 200 S N -0.935 114.779 115.700 0.024 0.000 2.615 200 S HA 0.423 4.994 4.470 0.168 0.000 0.269 200 S C 0.011 174.658 174.600 0.079 0.000 1.161 200 S CA -0.867 57.358 58.200 0.041 0.000 0.817 200 S CB 1.005 64.216 63.200 0.018 0.000 1.131 200 S HN -0.088 nan 8.310 nan 0.000 0.467 201 Q N 0.965 120.825 119.800 0.099 0.000 2.084 201 Q HA -0.105 4.336 4.340 0.168 0.000 0.202 201 Q C 1.788 177.832 176.000 0.072 0.000 0.978 201 Q CA 2.024 57.911 55.803 0.139 0.000 0.844 201 Q CB -0.462 28.355 28.738 0.131 0.000 0.898 201 Q HN 0.917 nan 8.270 nan 0.000 0.426 202 E N -0.192 120.038 120.200 0.051 0.000 2.072 202 E HA -0.127 4.323 4.350 0.168 0.000 0.191 202 E C 1.694 178.280 176.600 -0.024 0.000 0.985 202 E CA 1.327 57.748 56.400 0.035 0.000 0.801 202 E CB 0.247 29.993 29.700 0.077 0.000 0.750 202 E HN 0.242 nan 8.360 nan 0.000 0.452 203 T N 0.636 115.163 114.554 -0.045 0.000 2.746 203 T HA -0.153 4.298 4.350 0.168 0.000 0.267 203 T C 1.807 176.497 174.700 -0.017 0.000 1.039 203 T CA 1.217 63.255 62.100 -0.102 0.000 1.142 203 T CB -0.302 68.449 68.868 -0.195 0.000 0.866 203 T HN 0.333 nan 8.240 nan 0.000 0.444 204 A N 1.409 124.214 122.820 -0.025 0.000 1.873 204 A HA -0.014 4.407 4.320 0.168 0.000 0.218 204 A C 2.610 180.086 177.584 -0.180 0.000 1.193 204 A CA 2.149 54.120 52.037 -0.111 0.000 0.629 204 A CB -1.452 17.428 19.000 -0.199 0.000 0.826 204 A HN 0.524 nan 8.150 nan 0.000 0.447 205 G N -0.215 108.488 108.800 -0.162 0.000 2.421 205 G HA2 -0.166 3.895 3.960 0.168 0.000 0.216 205 G HA3 -0.166 3.895 3.960 0.168 0.000 0.216 205 G C 1.542 176.337 174.900 -0.175 0.000 1.171 205 G CA 1.146 46.144 45.100 -0.170 0.000 0.775 205 G HN 0.492 nan 8.290 nan 0.000 0.543 206 I N 1.290 121.747 120.570 -0.188 0.000 2.179 206 I HA -0.072 4.198 4.170 0.168 0.000 0.242 206 I C 3.112 179.192 176.117 -0.062 0.000 1.088 206 I CA 1.128 62.300 61.300 -0.213 0.000 1.357 206 I CB -0.576 37.306 38.000 -0.197 0.000 1.051 206 I HN 0.232 nan 8.210 nan 0.000 0.409 207 G N 0.461 109.303 108.800 0.070 0.000 2.421 207 G HA2 -0.247 3.814 3.960 0.168 0.000 0.216 207 G HA3 -0.247 3.814 3.960 0.168 0.000 0.216 207 G C 1.865 176.728 174.900 -0.062 0.000 1.171 207 G CA 0.880 45.962 45.100 -0.030 0.000 0.775 207 G HN 0.496 nan 8.290 nan 0.000 0.543 208 A N 1.220 123.998 122.820 -0.071 0.000 1.933 208 A HA -0.037 4.384 4.320 0.168 0.000 0.218 208 A C 2.759 180.308 177.584 -0.057 0.000 1.175 208 A CA 2.638 54.629 52.037 -0.077 0.000 0.628 208 A CB -0.778 18.130 19.000 -0.153 0.000 0.814 208 A HN 0.787 nan 8.150 nan 0.000 0.444 209 S N 0.184 115.835 115.700 -0.083 0.000 2.382 209 S HA 0.029 4.599 4.470 0.168 0.000 0.228 209 S C 2.080 176.657 174.600 -0.038 0.000 1.027 209 S CA 1.365 59.509 58.200 -0.093 0.000 0.991 209 S CB -0.647 62.525 63.200 -0.046 0.000 0.823 209 S HN 0.897 nan 8.310 nan 0.000 0.469 210 A N 1.551 124.378 122.820 0.012 0.000 1.930 210 A HA -0.078 4.343 4.320 0.168 0.000 0.217 210 A C 2.098 179.613 177.584 -0.116 0.000 1.175 210 A CA 1.788 53.765 52.037 -0.101 0.000 0.627 210 A CB -1.335 17.656 19.000 -0.015 0.000 0.815 210 A HN 0.785 nan 8.150 nan 0.000 0.443 211 H N -0.100 118.901 119.070 -0.115 0.000 2.387 211 H HA 0.057 4.711 4.556 0.163 0.000 0.299 211 H C 1.494 176.817 175.328 -0.009 0.000 1.090 211 H CA 1.637 57.653 56.048 -0.053 0.000 1.332 211 H CB -0.291 29.427 29.762 -0.074 0.000 1.386 211 H HN 0.356 nan 8.280 nan 0.000 0.516 212 L N -0.124 121.036 121.223 -0.105 0.000 2.551 212 L HA -0.071 4.370 4.340 0.168 0.000 0.228 212 L C 2.005 178.861 176.870 -0.025 0.000 1.153 212 L CA 0.078 54.871 54.840 -0.080 0.000 0.851 212 L CB -0.029 42.011 42.059 -0.030 0.000 0.959 212 L HN 0.226 nan 8.230 nan 0.000 0.451 213 V N 0.243 120.034 119.914 -0.206 0.000 2.515 213 V HA -0.256 3.965 4.120 0.168 0.000 0.250 213 V C 1.550 177.387 176.094 -0.428 0.000 1.058 213 V CA 2.215 64.211 62.300 -0.506 0.000 1.064 213 V CB -0.526 30.919 31.823 -0.629 0.000 0.675 213 V HN 0.627 nan 8.190 nan 0.000 0.461 214 N N -2.144 116.314 118.700 -0.402 0.000 2.407 214 N HA 0.246 5.087 4.740 0.168 0.000 0.182 214 N C -0.005 174.995 175.510 -0.850 0.000 1.079 214 N CA 0.108 52.812 53.050 -0.575 0.000 0.882 214 N CB 0.417 38.588 38.487 -0.526 0.000 1.106 214 N HN 0.381 nan 8.380 nan 0.000 0.461 215 F N -0.141 119.525 119.950 -0.473 0.000 2.654 215 F HA 0.492 5.118 4.527 0.165 0.000 0.334 215 F C 0.859 176.411 175.800 -0.414 0.000 1.078 215 F CA -0.945 56.775 58.000 -0.466 0.000 0.986 215 F CB 1.822 40.497 39.000 -0.542 0.000 1.362 215 F HN -0.368 nan 8.300 nan 0.000 0.498 216 K N -0.091 120.173 120.400 -0.228 0.000 2.440 216 K HA 0.267 4.688 4.320 0.168 0.000 0.207 216 K C 0.285 176.869 176.600 -0.026 0.000 1.112 216 K CA -0.068 56.094 56.287 -0.208 0.000 1.036 216 K CB 1.314 33.599 32.500 -0.358 0.000 0.935 216 K HN 0.683 nan 8.250 nan 0.000 0.564 217 G N 0.899 109.680 108.800 -0.033 0.000 2.319 217 G HA2 0.359 4.420 3.960 0.168 0.000 0.308 217 G HA3 0.359 4.420 3.960 0.168 0.000 0.308 217 G C -0.939 173.615 174.900 -0.577 0.000 1.117 217 G CA -0.008 45.063 45.100 -0.048 0.000 0.903 217 G HN -0.083 nan 8.290 nan 0.000 0.436 218 T N 0.856 115.079 114.554 -0.551 0.000 2.982 218 T HA 0.359 4.810 4.350 0.168 0.000 0.321 218 T C -0.557 174.118 174.700 -0.042 0.000 1.229 218 T CA -0.520 61.335 62.100 -0.409 0.000 1.044 218 T CB 1.901 70.680 68.868 -0.148 0.000 1.184 218 T HN 0.262 nan 8.240 nan 0.000 0.477 219 D N 1.426 121.903 120.400 0.128 0.000 2.379 219 D HA 0.201 4.942 4.640 0.168 0.000 0.208 219 D C 0.353 176.781 176.300 0.213 0.000 1.065 219 D CA 0.420 54.595 54.000 0.291 0.000 0.848 219 D CB 0.567 41.650 40.800 0.472 0.000 0.949 219 D HN 0.486 nan 8.370 nan 0.000 0.509 220 T N 0.977 115.569 114.554 0.062 0.000 2.992 220 T HA 0.112 4.563 4.350 0.168 0.000 0.299 220 T C 1.719 176.314 174.700 -0.175 0.000 1.027 220 T CA -0.220 61.791 62.100 -0.147 0.000 1.001 220 T CB 1.145 69.821 68.868 -0.321 0.000 1.005 220 T HN -0.184 nan 8.240 nan 0.000 0.599 221 V N 2.310 122.207 119.914 -0.029 0.000 2.392 221 V HA -0.240 3.981 4.120 0.168 0.000 0.249 221 V C 2.810 178.856 176.094 -0.080 0.000 1.059 221 V CA 2.057 64.355 62.300 -0.003 0.000 1.051 221 V CB -1.121 30.767 31.823 0.108 0.000 0.658 221 V HN 0.923 nan 8.190 nan 0.000 0.455 222 A N 0.861 123.578 122.820 -0.173 0.000 2.032 222 A HA -0.171 4.250 4.320 0.168 0.000 0.221 222 A C 2.401 179.895 177.584 -0.150 0.000 1.165 222 A CA 2.011 53.955 52.037 -0.156 0.000 0.645 222 A CB -1.143 17.704 19.000 -0.254 0.000 0.807 222 A HN 0.564 nan 8.150 nan 0.000 0.453 223 G N -0.186 108.500 108.800 -0.190 0.000 2.422 223 G HA2 -0.127 3.934 3.960 0.168 0.000 0.218 223 G HA3 -0.127 3.934 3.960 0.168 0.000 0.218 223 G C 1.495 176.291 174.900 -0.173 0.000 1.146 223 G CA 0.995 45.991 45.100 -0.174 0.000 0.769 223 G HN 0.485 nan 8.290 nan 0.000 0.547 224 L N 0.535 121.666 121.223 -0.154 0.000 2.056 224 L HA 0.009 4.449 4.340 0.168 0.000 0.207 224 L C 3.348 180.150 176.870 -0.114 0.000 1.078 224 L CA 1.028 55.772 54.840 -0.159 0.000 0.749 224 L CB -0.526 41.453 42.059 -0.133 0.000 0.901 224 L HN 0.272 nan 8.230 nan 0.000 0.433 225 A N 0.195 122.974 122.820 -0.068 0.000 1.930 225 A HA -0.168 4.253 4.320 0.168 0.000 0.217 225 A C 2.327 179.915 177.584 0.008 0.000 1.175 225 A CA 1.335 53.353 52.037 -0.032 0.000 0.627 225 A CB -0.620 18.375 19.000 -0.009 0.000 0.815 225 A HN 0.385 nan 8.150 nan 0.000 0.443 226 L N -0.461 120.785 121.223 0.039 0.000 2.017 226 L HA -0.144 4.296 4.340 0.168 0.000 0.208 226 L C 2.372 179.373 176.870 0.218 0.000 1.073 226 L CA 1.624 56.577 54.840 0.188 0.000 0.745 226 L CB -0.252 41.843 42.059 0.060 0.000 0.894 226 L HN 0.419 nan 8.230 nan 0.000 0.432 227 I N -0.060 120.520 120.570 0.017 0.000 2.163 227 I HA -0.356 3.915 4.170 0.168 0.000 0.243 227 I C 2.624 178.758 176.117 0.027 0.000 1.085 227 I CA 1.619 62.887 61.300 -0.053 0.000 1.347 227 I CB -0.340 37.335 38.000 -0.541 0.000 1.044 227 I HN 0.289 nan 8.210 nan 0.000 0.408 228 K N 1.260 121.637 120.400 -0.038 0.000 2.063 228 K HA -0.268 4.153 4.320 0.168 0.000 0.208 228 K C 2.237 178.800 176.600 -0.061 0.000 1.048 228 K CA 1.755 58.018 56.287 -0.039 0.000 0.928 228 K CB -0.041 32.425 32.500 -0.058 0.000 0.713 228 K HN 0.123 nan 8.250 nan 0.000 0.442 229 K N -0.986 119.346 120.400 -0.113 0.000 2.116 229 K HA -0.115 4.306 4.320 0.168 0.000 0.203 229 K C 1.282 177.595 176.600 -0.478 0.000 1.052 229 K CA 1.290 57.369 56.287 -0.348 0.000 0.952 229 K CB 0.097 32.279 32.500 -0.531 0.000 0.729 229 K HN 0.186 nan 8.250 nan 0.000 0.446 230 Y N -2.191 118.087 120.300 -0.037 0.000 2.462 230 Y HA 0.135 4.785 4.550 0.168 0.000 0.253 230 Y C 0.837 176.509 175.900 -0.381 0.000 1.095 230 Y CA 0.007 57.984 58.100 -0.204 0.000 1.283 230 Y CB 0.601 38.942 38.460 -0.199 0.000 1.138 230 Y HN 0.023 nan 8.280 nan 0.000 0.522 231 Y N -0.988 119.426 120.300 0.191 0.000 2.846 231 Y HA 0.523 5.175 4.550 0.170 0.000 0.258 231 Y C 1.297 177.288 175.900 0.152 0.000 1.077 231 Y CA 0.076 58.307 58.100 0.219 0.000 1.270 231 Y CB 0.265 38.940 38.460 0.358 0.000 1.476 231 Y HN -0.136 nan 8.280 nan 0.000 0.460 232 G N 0.631 109.583 108.800 0.255 0.000 2.721 232 G HA2 0.127 4.188 3.960 0.168 0.000 0.686 232 G HA3 0.127 4.188 3.960 0.168 0.000 0.686 232 G C -0.614 174.393 174.900 0.179 0.000 1.236 232 G CA -0.141 45.047 45.100 0.147 0.000 0.786 232 G HN 0.358 nan 8.290 nan 0.000 0.616 233 T N 0.196 114.816 114.554 0.111 0.000 2.894 233 T HA 0.594 5.045 4.350 0.168 0.000 0.309 233 T C 1.275 176.021 174.700 0.076 0.000 1.208 233 T CA 0.395 62.565 62.100 0.117 0.000 1.016 233 T CB 1.666 70.606 68.868 0.120 0.000 1.192 233 T HN 0.878 nan 8.240 nan 0.000 0.491 234 K N 1.421 121.867 120.400 0.077 0.000 2.057 234 K HA -0.050 4.371 4.320 0.168 0.000 0.207 234 K C 0.096 176.730 176.600 0.058 0.000 1.049 234 K CA 1.168 57.492 56.287 0.060 0.000 0.931 234 K CB -0.034 32.501 32.500 0.058 0.000 0.714 234 K HN 0.599 nan 8.250 nan 0.000 0.440 235 D N 0.495 120.937 120.400 0.069 0.000 2.362 235 D HA 0.018 4.759 4.640 0.168 0.000 0.242 235 D C -1.631 174.698 176.300 0.049 0.000 1.132 235 D CA -1.523 52.523 54.000 0.078 0.000 0.907 235 D CB 1.026 41.898 40.800 0.120 0.000 1.195 235 D HN 0.009 nan 8.370 nan 0.000 0.429 236 P HA -0.144 nan 4.420 nan 0.000 0.216 236 P C 0.206 177.492 177.300 -0.023 0.000 1.154 236 P CA 1.230 64.344 63.100 0.023 0.000 0.865 236 P CB 0.221 31.949 31.700 0.046 0.000 0.789 237 V N -6.311 113.565 119.914 -0.062 0.000 2.876 237 V HA 0.472 4.692 4.120 0.168 0.000 0.312 237 V C -2.078 173.855 176.094 -0.267 0.000 1.085 237 V CA -2.018 60.166 62.300 -0.193 0.000 0.945 237 V CB 1.822 33.474 31.823 -0.285 0.000 1.017 237 V HN -0.190 nan 8.190 nan 0.000 0.428 238 P HA 0.219 nan 4.420 nan 0.000 0.227 238 P C 0.633 177.761 177.300 -0.286 0.000 1.161 238 P CA 1.078 64.058 63.100 -0.199 0.000 0.788 238 P CB 0.466 32.014 31.700 -0.253 0.000 0.822 239 G N -1.260 107.267 108.800 -0.455 0.000 2.533 239 G HA2 0.613 4.674 3.960 0.168 0.000 0.304 239 G HA3 0.613 4.674 3.960 0.168 0.000 0.304 239 G C -1.923 172.637 174.900 -0.567 0.000 1.263 239 G CA -0.415 44.459 45.100 -0.376 0.000 0.964 239 G HN -0.093 nan 8.290 nan 0.000 0.479 240 Y N -0.649 119.711 120.300 0.100 0.000 2.581 240 Y HA 0.788 5.437 4.550 0.166 0.000 0.345 240 Y C 0.439 176.456 175.900 0.196 0.000 1.036 240 Y CA -0.793 57.397 58.100 0.151 0.000 1.042 240 Y CB 2.694 41.282 38.460 0.213 0.000 1.289 240 Y HN 0.706 nan 8.280 nan 0.000 0.471 241 S N 0.275 116.181 115.700 0.343 0.000 2.671 241 S HA 0.880 5.451 4.470 0.168 0.000 0.277 241 S C -1.682 173.014 174.600 0.160 0.000 1.165 241 S CA -0.542 57.846 58.200 0.312 0.000 0.822 241 S CB 1.254 64.622 63.200 0.280 0.000 1.150 241 S HN 0.838 nan 8.310 nan 0.000 0.479 242 V N 0.036 119.989 119.914 0.064 0.000 3.040 242 V HA 0.793 5.013 4.120 0.168 0.000 0.312 242 V C -2.922 173.086 176.094 -0.144 0.000 1.115 242 V CA -2.473 59.796 62.300 -0.051 0.000 0.998 242 V CB 0.510 32.278 31.823 -0.091 0.000 1.042 242 V HN 0.722 nan 8.190 nan 0.000 0.433 243 P HA 0.519 nan 4.420 nan 0.000 0.266 243 P C -0.532 176.528 177.300 -0.400 0.000 1.195 243 P CA 0.529 63.308 63.100 -0.536 0.000 0.768 243 P CB 0.600 31.549 31.700 -1.252 0.000 0.838 244 A N 1.961 124.594 122.820 -0.312 0.000 2.547 244 A HA 0.710 5.131 4.320 0.168 0.000 0.297 244 A C -0.883 176.615 177.584 -0.143 0.000 1.056 244 A CA -0.552 51.360 52.037 -0.210 0.000 0.688 244 A CB 1.453 20.349 19.000 -0.173 0.000 1.282 244 A HN 0.534 nan 8.150 nan 0.000 0.400 245 A N 1.204 123.960 122.820 -0.106 0.000 2.302 245 A HA 0.680 5.101 4.320 0.168 0.000 0.285 245 A C 0.227 177.741 177.584 -0.116 0.000 1.105 245 A CA 0.118 52.127 52.037 -0.046 0.000 0.816 245 A CB 0.179 19.187 19.000 0.013 0.000 1.067 245 A HN 1.015 nan 8.150 nan 0.000 0.489 246 E N 0.449 120.599 120.200 -0.082 0.000 2.334 246 E HA 0.405 4.856 4.350 0.168 0.000 0.256 246 E C -0.123 176.404 176.600 -0.122 0.000 0.958 246 E CA -0.834 55.479 56.400 -0.146 0.000 0.821 246 E CB 0.399 30.058 29.700 -0.069 0.000 1.269 246 E HN 0.648 nan 8.360 nan 0.000 0.413 247 H N 0.217 119.275 119.070 -0.020 0.000 2.387 247 H HA -0.136 4.520 4.556 0.166 0.000 0.299 247 H C 2.265 177.605 175.328 0.021 0.000 1.090 247 H CA 2.110 58.146 56.048 -0.020 0.000 1.332 247 H CB -0.010 29.718 29.762 -0.058 0.000 1.386 247 H HN 0.664 nan 8.280 nan 0.000 0.516 248 S N 0.788 116.570 115.700 0.136 0.000 2.368 248 S HA -0.156 4.414 4.470 0.168 0.000 0.225 248 S C 2.313 177.000 174.600 0.145 0.000 1.030 248 S CA 1.876 60.143 58.200 0.113 0.000 0.999 248 S CB -0.773 62.472 63.200 0.075 0.000 0.844 248 S HN 0.579 nan 8.310 nan 0.000 0.459 249 T N -0.461 114.186 114.554 0.156 0.000 3.055 249 T HA 0.214 4.665 4.350 0.168 0.000 0.265 249 T C 1.699 176.616 174.700 0.362 0.000 1.111 249 T CA 0.501 62.748 62.100 0.245 0.000 1.118 249 T CB -0.345 68.656 68.868 0.221 0.000 0.909 249 T HN 0.347 nan 8.240 nan 0.000 0.501 250 I N 2.709 123.434 120.570 0.259 0.000 2.512 250 I HA 0.005 4.276 4.170 0.168 0.000 0.247 250 I C 2.979 179.282 176.117 0.309 0.000 1.094 250 I CA 1.707 63.155 61.300 0.246 0.000 1.427 250 I CB -1.721 36.382 38.000 0.172 0.000 1.149 250 I HN 0.451 nan 8.210 nan 0.000 0.438 251 T N 0.032 114.726 114.554 0.235 0.000 2.962 251 T HA 0.007 4.458 4.350 0.168 0.000 0.270 251 T C 1.940 176.791 174.700 0.252 0.000 1.088 251 T CA 0.992 63.246 62.100 0.256 0.000 1.127 251 T CB -0.427 68.535 68.868 0.157 0.000 0.883 251 T HN 0.242 nan 8.240 nan 0.000 0.493 252 A N 0.380 123.335 122.820 0.225 0.000 2.070 252 A HA 0.057 4.478 4.320 0.168 0.000 0.220 252 A C 1.830 179.442 177.584 0.046 0.000 1.159 252 A CA 0.837 52.935 52.037 0.102 0.000 0.656 252 A CB -1.164 17.852 19.000 0.028 0.000 0.800 252 A HN 0.748 nan 8.150 nan 0.000 0.453 253 W N -0.665 120.654 121.300 0.033 0.000 2.678 253 W HA 0.371 5.132 4.660 0.169 0.000 0.256 253 W C 1.295 177.834 176.519 0.034 0.000 1.280 253 W CA 1.296 58.641 57.345 0.000 0.000 1.345 253 W CB -0.209 29.263 29.460 0.019 0.000 1.118 253 W HN 0.634 nan 8.180 nan 0.000 0.629 254 G N 0.202 109.167 108.800 0.276 0.000 2.650 254 G HA2 -0.261 3.799 3.960 0.168 0.000 0.686 254 G HA3 -0.261 3.799 3.960 0.168 0.000 0.686 254 G C 0.318 175.319 174.900 0.168 0.000 1.205 254 G CA -0.335 44.894 45.100 0.216 0.000 0.781 254 G HN 0.011 nan 8.290 nan 0.000 0.648 255 K N 0.188 120.582 120.400 -0.011 0.000 2.044 255 K HA -0.121 4.299 4.320 0.168 0.000 0.210 255 K C 1.661 178.025 176.600 -0.393 0.000 1.049 255 K CA 2.774 58.818 56.287 -0.406 0.000 0.927 255 K CB -0.200 32.050 32.500 -0.418 0.000 0.713 255 K HN 0.480 nan 8.250 nan 0.000 0.443 256 D N -0.765 119.485 120.400 -0.249 0.000 2.349 256 D HA -0.025 4.716 4.640 0.168 0.000 0.224 256 D C 0.161 176.159 176.300 -0.503 0.000 1.029 256 D CA 0.611 54.389 54.000 -0.370 0.000 0.879 256 D CB -0.003 40.567 40.800 -0.383 0.000 0.906 256 D HN 0.481 nan 8.370 nan 0.000 0.528 257 H N -0.637 118.385 119.070 -0.080 0.000 2.510 257 H HA 0.159 4.815 4.556 0.168 0.000 0.266 257 H C 1.370 176.619 175.328 -0.132 0.000 1.146 257 H CA -0.212 55.813 56.048 -0.037 0.000 0.993 257 H CB 0.690 30.524 29.762 0.121 0.000 1.727 257 H HN 0.027 nan 8.280 nan 0.000 0.590 258 E N 1.626 121.724 120.200 -0.170 0.000 2.110 258 E HA -0.217 4.234 4.350 0.168 0.000 0.193 258 E C 2.061 178.194 176.600 -0.779 0.000 0.988 258 E CA 1.001 57.148 56.400 -0.423 0.000 0.804 258 E CB 0.271 29.729 29.700 -0.403 0.000 0.745 258 E HN 0.363 nan 8.360 nan 0.000 0.458 259 K N 0.338 120.410 120.400 -0.546 0.000 2.057 259 K HA -0.188 4.232 4.320 0.168 0.000 0.207 259 K C 1.583 177.995 176.600 -0.312 0.000 1.049 259 K CA 1.782 57.802 56.287 -0.446 0.000 0.931 259 K CB -0.002 32.344 32.500 -0.256 0.000 0.714 259 K HN 0.111 nan 8.250 nan 0.000 0.440 260 D N 0.361 120.614 120.400 -0.246 0.000 2.144 260 D HA -0.128 4.613 4.640 0.168 0.000 0.199 260 D C 1.763 177.613 176.300 -0.750 0.000 0.984 260 D CA 1.194 55.033 54.000 -0.269 0.000 0.834 260 D CB -0.110 40.689 40.800 -0.003 0.000 0.955 260 D HN 0.350 nan 8.370 nan 0.000 0.465 261 A N 0.877 123.119 122.820 -0.963 0.000 1.858 261 A HA -0.180 4.241 4.320 0.168 0.000 0.216 261 A C 2.026 179.381 177.584 -0.383 0.000 1.190 261 A CA 0.979 52.242 52.037 -1.291 0.000 0.617 261 A CB -0.869 17.630 19.000 -0.835 0.000 0.827 261 A HN 0.074 nan 8.150 nan 0.000 0.443 262 F N 0.048 119.758 119.950 -0.399 0.000 2.069 262 F HA -0.150 4.479 4.527 0.170 0.000 0.298 262 F C 2.390 178.133 175.800 -0.095 0.000 1.113 262 F CA 1.307 59.162 58.000 -0.242 0.000 1.214 262 F CB -1.191 37.425 39.000 -0.639 0.000 0.978 262 F HN 0.492 nan 8.300 nan 0.000 0.474 263 E N -0.882 119.345 120.200 0.045 0.000 2.058 263 E HA -0.270 4.181 4.350 0.168 0.000 0.194 263 E C 2.449 179.072 176.600 0.039 0.000 0.997 263 E CA 1.379 57.804 56.400 0.042 0.000 0.801 263 E CB -0.437 29.267 29.700 0.007 0.000 0.746 263 E HN 0.441 nan 8.360 nan 0.000 0.450 264 H N 0.412 119.408 119.070 -0.124 0.000 2.352 264 H HA -0.138 4.519 4.556 0.167 0.000 0.299 264 H C 2.179 177.520 175.328 0.023 0.000 1.097 264 H CA 1.942 57.958 56.048 -0.053 0.000 1.311 264 H CB -0.056 29.643 29.762 -0.105 0.000 1.377 264 H HN 0.258 nan 8.280 nan 0.000 0.504 265 I N 0.826 121.463 120.570 0.113 0.000 2.286 265 I HA -0.226 4.045 4.170 0.168 0.000 0.245 265 I C 2.867 179.086 176.117 0.171 0.000 1.104 265 I CA 1.147 62.560 61.300 0.189 0.000 1.397 265 I CB -0.170 37.993 38.000 0.272 0.000 1.072 265 I HN 0.165 nan 8.210 nan 0.000 0.417 266 V N -2.479 117.520 119.914 0.141 0.000 2.626 266 V HA -0.172 4.049 4.120 0.168 0.000 0.252 266 V C 2.172 178.283 176.094 0.029 0.000 1.067 266 V CA 2.101 64.465 62.300 0.106 0.000 1.081 266 V CB -1.384 30.509 31.823 0.118 0.000 0.686 266 V HN 0.356 nan 8.190 nan 0.000 0.468 267 T N -0.426 114.108 114.554 -0.033 0.000 2.896 267 T HA -0.090 4.361 4.350 0.168 0.000 0.263 267 T C 2.019 176.608 174.700 -0.185 0.000 1.050 267 T CA 1.431 63.477 62.100 -0.089 0.000 1.140 267 T CB -0.286 68.532 68.868 -0.083 0.000 0.877 267 T HN 0.434 nan 8.240 nan 0.000 0.457 268 Q N 0.333 119.933 119.800 -0.333 0.000 2.124 268 Q HA 0.009 4.450 4.340 0.168 0.000 0.202 268 Q C 0.215 175.799 176.000 -0.694 0.000 0.977 268 Q CA 1.118 56.562 55.803 -0.599 0.000 0.850 268 Q CB -0.209 28.012 28.738 -0.862 0.000 0.901 268 Q HN 0.556 nan 8.270 nan 0.000 0.429 269 F N 0.210 120.128 119.950 -0.052 0.000 2.532 269 F HA 0.195 4.824 4.527 0.170 0.000 0.313 269 F C 1.137 176.910 175.800 -0.045 0.000 1.301 269 F CA -0.416 57.561 58.000 -0.039 0.000 1.154 269 F CB 0.349 39.330 39.000 -0.032 0.000 1.335 269 F HN -0.097 nan 8.300 nan 0.000 0.542 270 S N -2.109 113.619 115.700 0.047 0.000 2.470 270 S HA -0.038 4.533 4.470 0.168 0.000 0.225 270 S C 1.504 176.115 174.600 0.019 0.000 1.006 270 S CA 0.680 58.890 58.200 0.017 0.000 0.934 270 S CB -0.020 63.170 63.200 -0.017 0.000 0.778 270 S HN 0.256 nan 8.310 nan 0.000 0.517 271 S N 0.823 116.544 115.700 0.035 0.000 2.539 271 S HA 0.398 4.968 4.470 0.168 0.000 0.221 271 S C 0.403 175.018 174.600 0.026 0.000 0.987 271 S CA -0.009 58.204 58.200 0.023 0.000 0.929 271 S CB 0.573 63.785 63.200 0.019 0.000 0.832 271 S HN 0.607 nan 8.310 nan 0.000 0.492 272 V N -1.243 118.699 119.914 0.047 0.000 3.074 272 V HA 0.690 4.911 4.120 0.168 0.000 0.314 272 V C -3.291 172.794 176.094 -0.015 0.000 1.117 272 V CA -3.260 59.051 62.300 0.019 0.000 1.014 272 V CB 1.022 32.870 31.823 0.042 0.000 1.057 272 V HN -0.230 nan 8.190 nan 0.000 0.438 273 P HA 0.297 nan 4.420 nan 0.000 0.268 273 P C -0.880 176.349 177.300 -0.119 0.000 1.205 273 P CA 0.193 63.235 63.100 -0.097 0.000 0.771 273 P CB 0.942 32.571 31.700 -0.118 0.000 0.858 274 V N 2.737 122.567 119.914 -0.139 0.000 2.623 274 V HA 0.423 4.644 4.120 0.168 0.000 0.304 274 V C -0.625 175.347 176.094 -0.204 0.000 1.054 274 V CA -0.487 61.710 62.300 -0.171 0.000 0.882 274 V CB 1.896 33.669 31.823 -0.082 0.000 1.002 274 V HN 0.531 nan 8.190 nan 0.000 0.424 275 S N 5.620 121.195 115.700 -0.207 0.000 2.457 275 S HA 0.731 5.302 4.470 0.168 0.000 0.289 275 S C -0.859 173.624 174.600 -0.195 0.000 1.163 275 S CA -0.425 57.650 58.200 -0.209 0.000 1.078 275 S CB 1.104 64.197 63.200 -0.178 0.000 0.987 275 S HN 0.764 nan 8.310 nan 0.000 0.482 276 V N 6.003 125.785 119.914 -0.220 0.000 2.409 276 V HA 0.370 4.590 4.120 0.168 0.000 0.290 276 V C 0.175 176.173 176.094 -0.159 0.000 1.017 276 V CA -0.936 61.262 62.300 -0.170 0.000 0.841 276 V CB 1.472 33.206 31.823 -0.148 0.000 1.003 276 V HN 0.756 nan 8.190 nan 0.000 0.426 277 V N 5.038 124.860 119.914 -0.153 0.000 2.540 277 V HA 0.116 4.337 4.120 0.168 0.000 0.297 277 V C 1.099 177.182 176.094 -0.019 0.000 1.024 277 V CA 1.180 63.378 62.300 -0.171 0.000 1.105 277 V CB 1.540 33.123 31.823 -0.401 0.000 0.938 277 V HN 1.037 nan 8.190 nan 0.000 0.482 278 S N 3.430 119.158 115.700 0.047 0.000 2.666 278 S HA 0.133 4.703 4.470 0.168 0.000 0.239 278 S C 0.825 175.525 174.600 0.167 0.000 1.031 278 S CA 0.155 58.499 58.200 0.240 0.000 1.015 278 S CB 0.089 63.467 63.200 0.296 0.000 0.981 278 S HN 1.012 nan 8.310 nan 0.000 0.547 279 D N 0.648 121.091 120.400 0.072 0.000 2.368 279 D HA 0.208 4.949 4.640 0.168 0.000 0.218 279 D C 0.965 177.265 176.300 -0.001 0.000 1.112 279 D CA 0.036 54.047 54.000 0.019 0.000 0.834 279 D CB -0.122 40.677 40.800 -0.002 0.000 0.953 279 D HN 0.006 nan 8.370 nan 0.000 0.505 280 S N -0.165 115.508 115.700 -0.046 0.000 2.374 280 S HA -0.170 4.400 4.470 0.168 0.000 0.227 280 S C 0.700 174.940 174.600 -0.601 0.000 1.037 280 S CA 1.453 59.441 58.200 -0.354 0.000 1.024 280 S CB -0.181 62.635 63.200 -0.639 0.000 0.861 280 S HN 0.495 nan 8.310 nan 0.000 0.456 281 Y N -0.977 119.337 120.300 0.025 0.000 2.784 281 Y HA 0.430 5.082 4.550 0.169 0.000 0.267 281 Y C 0.244 176.136 175.900 -0.014 0.000 1.117 281 Y CA -0.604 57.492 58.100 -0.006 0.000 1.231 281 Y CB 0.667 39.111 38.460 -0.027 0.000 1.441 281 Y HN 0.031 nan 8.280 nan 0.000 0.469 282 D N 0.140 120.618 120.400 0.129 0.000 2.365 282 D HA 0.132 4.873 4.640 0.168 0.000 0.235 282 D C 0.305 176.601 176.300 -0.007 0.000 1.368 282 D CA -0.098 53.933 54.000 0.051 0.000 1.001 282 D CB 1.525 42.378 40.800 0.089 0.000 1.364 282 D HN 0.172 nan 8.370 nan 0.000 0.577 283 I N 4.120 124.588 120.570 -0.170 0.000 2.264 283 I HA -0.225 4.046 4.170 0.168 0.000 0.248 283 I C 1.022 177.042 176.117 -0.163 0.000 1.111 283 I CA 1.739 62.900 61.300 -0.232 0.000 1.382 283 I CB -0.150 37.583 38.000 -0.444 0.000 1.060 283 I HN 0.377 nan 8.210 nan 0.000 0.418 284 Y N 0.197 120.556 120.300 0.098 0.000 2.286 284 Y HA -0.086 4.561 4.550 0.161 0.000 0.293 284 Y C 2.527 178.486 175.900 0.098 0.000 1.124 284 Y CA 1.333 59.488 58.100 0.092 0.000 1.178 284 Y CB -1.483 37.018 38.460 0.069 0.000 1.010 284 Y HN 0.328 nan 8.280 nan 0.000 0.536 285 N N 0.719 119.539 118.700 0.199 0.000 2.120 285 N HA -0.196 4.645 4.740 0.168 0.000 0.188 285 N C 1.990 177.569 175.510 0.114 0.000 1.024 285 N CA 1.281 54.409 53.050 0.130 0.000 0.852 285 N CB -0.085 38.451 38.487 0.082 0.000 1.003 285 N HN 0.345 nan 8.380 nan 0.000 0.424 286 A N 0.809 123.701 122.820 0.119 0.000 1.902 286 A HA -0.141 4.280 4.320 0.168 0.000 0.217 286 A C 2.801 180.527 177.584 0.236 0.000 1.181 286 A CA 1.446 53.562 52.037 0.131 0.000 0.623 286 A CB -1.032 18.106 19.000 0.231 0.000 0.818 286 A HN 0.601 nan 8.150 nan 0.000 0.443 287 C N -1.319 118.177 119.300 0.326 0.000 2.453 287 C HA -0.026 4.535 4.460 0.168 0.000 0.277 287 C C 2.704 177.906 174.990 0.353 0.000 1.262 287 C CA 1.224 60.493 59.018 0.418 0.000 1.718 287 C CB -1.000 26.925 27.740 0.309 0.000 2.031 287 C HN 0.794 nan 8.230 nan 0.000 0.480 288 E N 0.480 120.830 120.200 0.251 0.000 2.051 288 E HA -0.110 4.340 4.350 0.168 0.000 0.189 288 E C 2.145 178.834 176.600 0.148 0.000 0.979 288 E CA 0.897 57.412 56.400 0.191 0.000 0.803 288 E CB 0.071 29.862 29.700 0.151 0.000 0.761 288 E HN 0.527 nan 8.360 nan 0.000 0.451 289 K N -0.186 120.285 120.400 0.118 0.000 2.141 289 K HA 0.103 4.523 4.320 0.168 0.000 0.202 289 K C 2.186 178.821 176.600 0.058 0.000 1.045 289 K CA 0.604 56.932 56.287 0.069 0.000 0.971 289 K CB 0.223 32.744 32.500 0.035 0.000 0.795 289 K HN 0.150 nan 8.250 nan 0.000 0.459 290 I N -0.656 119.934 120.570 0.033 0.000 2.188 290 I HA -0.170 4.101 4.170 0.168 0.000 0.237 290 I C 2.073 178.226 176.117 0.061 0.000 1.073 290 I CA 1.242 62.511 61.300 -0.052 0.000 1.359 290 I CB -0.383 37.477 38.000 -0.233 0.000 1.083 290 I HN 0.230 nan 8.210 nan 0.000 0.412 291 W N 1.027 122.469 121.300 0.237 0.000 2.381 291 W HA -0.040 4.722 4.660 0.170 0.000 0.301 291 W C 2.526 179.216 176.519 0.286 0.000 1.205 291 W CA 0.733 58.222 57.345 0.240 0.000 1.285 291 W CB -0.554 29.029 29.460 0.204 0.000 1.133 291 W HN 0.128 nan 8.180 nan 0.000 0.521 292 G N -0.413 108.650 108.800 0.437 0.000 2.572 292 G HA2 -0.051 4.010 3.960 0.168 0.000 0.216 292 G HA3 -0.051 4.010 3.960 0.168 0.000 0.216 292 G C 1.105 176.017 174.900 0.021 0.000 1.133 292 G CA 0.916 46.129 45.100 0.187 0.000 0.791 292 G HN 0.289 nan 8.290 nan 0.000 0.538 293 E N -0.559 119.695 120.200 0.091 0.000 3.441 293 E HA 0.032 4.483 4.350 0.168 0.000 0.195 293 E C 1.449 178.110 176.600 0.102 0.000 1.172 293 E CA -0.122 56.311 56.400 0.056 0.000 1.457 293 E CB 0.186 29.908 29.700 0.037 0.000 1.388 293 E HN -0.027 nan 8.360 nan 0.000 0.551 294 D N 1.180 121.637 120.400 0.096 0.000 2.123 294 D HA -0.115 4.626 4.640 0.168 0.000 0.196 294 D C 1.509 177.927 176.300 0.197 0.000 0.992 294 D CA 1.282 55.346 54.000 0.106 0.000 0.833 294 D CB 0.212 41.032 40.800 0.035 0.000 0.954 294 D HN 0.128 nan 8.370 nan 0.000 0.455 295 L N -0.205 121.121 121.223 0.170 0.000 2.959 295 L HA 0.293 4.734 4.340 0.168 0.000 0.259 295 L C 1.918 178.843 176.870 0.091 0.000 1.185 295 L CA -0.276 54.615 54.840 0.085 0.000 0.998 295 L CB 0.463 42.600 42.059 0.130 0.000 1.337 295 L HN -0.148 nan 8.230 nan 0.000 0.555 296 R N 0.953 121.578 120.500 0.207 0.000 2.117 296 R HA -0.215 4.225 4.340 0.168 0.000 0.243 296 R C 2.392 178.772 176.300 0.134 0.000 1.143 296 R CA 2.124 58.348 56.100 0.206 0.000 0.968 296 R CB -0.195 30.137 30.300 0.052 0.000 0.863 296 R HN 0.587 nan 8.270 nan 0.000 0.444 297 H N -0.508 118.608 119.070 0.075 0.000 2.491 297 H HA -0.079 4.579 4.556 0.169 0.000 0.290 297 H C 1.693 177.035 175.328 0.023 0.000 1.050 297 H CA 0.989 57.056 56.048 0.032 0.000 1.309 297 H CB -0.325 29.450 29.762 0.022 0.000 1.392 297 H HN 0.299 nan 8.280 nan 0.000 0.554 298 L N 0.266 121.248 121.223 -0.401 0.000 2.567 298 L HA 0.033 4.474 4.340 0.168 0.000 0.225 298 L C 1.717 178.520 176.870 -0.112 0.000 1.119 298 L CA -0.138 54.565 54.840 -0.229 0.000 0.871 298 L CB 0.102 42.011 42.059 -0.250 0.000 1.036 298 L HN 0.150 nan 8.230 nan 0.000 0.459 299 I N -0.509 120.016 120.570 -0.076 0.000 2.729 299 I HA -0.062 4.208 4.170 0.168 0.000 0.256 299 I C 2.528 178.394 176.117 -0.417 0.000 1.115 299 I CA 1.066 62.302 61.300 -0.106 0.000 1.446 299 I CB -0.886 37.162 38.000 0.079 0.000 1.176 299 I HN 0.086 nan 8.210 nan 0.000 0.446 300 V N -0.097 119.561 119.914 -0.427 0.000 2.913 300 V HA -0.083 4.137 4.120 0.168 0.000 0.260 300 V C 2.155 177.888 176.094 -0.602 0.000 1.098 300 V CA 1.713 63.489 62.300 -0.874 0.000 1.121 300 V CB -1.356 30.308 31.823 -0.264 0.000 0.714 300 V HN 0.471 nan 8.190 nan 0.000 0.487 301 S N -0.711 114.801 115.700 -0.314 0.000 2.558 301 S HA 0.222 4.792 4.470 0.168 0.000 0.217 301 S C 1.032 175.554 174.600 -0.130 0.000 0.975 301 S CA -0.408 57.697 58.200 -0.159 0.000 0.912 301 S CB -0.306 62.850 63.200 -0.074 0.000 0.776 301 S HN 0.674 nan 8.310 nan 0.000 0.526 302 R N 1.848 122.241 120.500 -0.178 0.000 2.582 302 R HA 0.392 4.833 4.340 0.168 0.000 0.271 302 R C 0.407 176.711 176.300 0.006 0.000 1.078 302 R CA -0.091 55.967 56.100 -0.070 0.000 1.127 302 R CB 0.572 30.837 30.300 -0.059 0.000 1.038 302 R HN 0.277 nan 8.270 nan 0.000 0.500 303 S N -0.087 115.622 115.700 0.013 0.000 2.593 303 S HA -0.028 4.543 4.470 0.168 0.000 0.269 303 S C 1.579 176.204 174.600 0.042 0.000 1.334 303 S CA -0.188 58.028 58.200 0.028 0.000 1.015 303 S CB 0.995 64.199 63.200 0.006 0.000 0.912 303 S HN 0.720 nan 8.310 nan 0.000 0.541 304 T N 1.516 116.091 114.554 0.035 0.000 2.962 304 T HA -0.061 4.390 4.350 0.168 0.000 0.270 304 T C 1.272 175.956 174.700 -0.026 0.000 1.088 304 T CA 1.108 63.214 62.100 0.009 0.000 1.127 304 T CB -0.298 68.570 68.868 0.001 0.000 0.883 304 T HN 0.624 nan 8.240 nan 0.000 0.493 305 Q N 0.964 120.748 119.800 -0.027 0.000 2.425 305 Q HA 0.530 4.971 4.340 0.168 0.000 0.204 305 Q C 1.060 177.028 176.000 -0.054 0.000 0.933 305 Q CA 0.670 56.444 55.803 -0.049 0.000 0.939 305 Q CB 0.408 29.120 28.738 -0.043 0.000 1.044 305 Q HN 0.697 nan 8.270 nan 0.000 0.513 306 A N 1.121 123.918 122.820 -0.038 0.000 3.308 306 A HA 0.366 4.787 4.320 0.168 0.000 0.275 306 A C -2.637 174.918 177.584 -0.048 0.000 0.950 306 A CA -1.219 50.794 52.037 -0.041 0.000 0.987 306 A CB 0.273 19.261 19.000 -0.020 0.000 1.146 306 A HN -0.032 nan 8.150 nan 0.000 0.488 307 P HA 0.264 nan 4.420 nan 0.000 0.274 307 P C -0.128 177.081 177.300 -0.151 0.000 1.231 307 P CA -0.273 62.774 63.100 -0.089 0.000 0.790 307 P CB 1.139 32.767 31.700 -0.120 0.000 0.951 308 L N 3.148 124.247 121.223 -0.207 0.000 2.410 308 L HA 0.251 4.692 4.340 0.168 0.000 0.273 308 L C -0.299 176.345 176.870 -0.376 0.000 1.144 308 L CA 0.172 54.803 54.840 -0.348 0.000 0.863 308 L CB -0.533 41.206 42.059 -0.532 0.000 1.140 308 L HN 0.191 nan 8.230 nan 0.000 0.463 309 I N 6.976 127.331 120.570 -0.358 0.000 2.371 309 I HA 0.299 4.570 4.170 0.168 0.000 0.282 309 I C -0.193 175.706 176.117 -0.365 0.000 1.031 309 I CA -0.352 60.755 61.300 -0.322 0.000 1.180 309 I CB 0.778 38.637 38.000 -0.236 0.000 1.336 309 I HN 0.519 nan 8.210 nan 0.000 0.467 310 I N 6.080 126.405 120.570 -0.408 0.000 2.471 310 I HA 0.180 4.451 4.170 0.168 0.000 0.286 310 I C 0.643 176.625 176.117 -0.226 0.000 1.079 310 I CA 0.063 61.143 61.300 -0.366 0.000 1.398 310 I CB 0.480 38.254 38.000 -0.377 0.000 1.403 310 I HN 0.554 nan 8.210 nan 0.000 0.530 311 R N 8.978 129.376 120.500 -0.170 0.000 2.310 311 R HA 0.403 4.844 4.340 0.168 0.000 0.316 311 R C -2.589 173.659 176.300 -0.086 0.000 1.004 311 R CA -1.677 54.346 56.100 -0.127 0.000 0.900 311 R CB 1.151 31.368 30.300 -0.138 0.000 1.152 311 R HN 0.281 nan 8.270 nan 0.000 0.513 312 P HA 0.128 nan 4.420 nan 0.000 0.274 312 P C -0.764 176.521 177.300 -0.025 0.000 1.231 312 P CA 0.025 63.095 63.100 -0.050 0.000 0.790 312 P CB 1.168 32.835 31.700 -0.055 0.000 0.951 313 D N -0.773 119.628 120.400 0.002 0.000 2.672 313 D HA 0.136 4.877 4.640 0.168 0.000 0.287 313 D C -0.704 175.620 176.300 0.040 0.000 1.559 313 D CA -0.018 54.004 54.000 0.037 0.000 0.796 313 D CB 0.229 41.079 40.800 0.085 0.000 1.181 313 D HN 0.373 nan 8.370 nan 0.000 0.458 314 S N -1.888 113.821 115.700 0.015 0.000 2.611 314 S HA 0.784 5.354 4.470 0.168 0.000 0.268 314 S C 0.362 174.970 174.600 0.014 0.000 1.156 314 S CA -0.336 57.869 58.200 0.008 0.000 0.817 314 S CB 1.423 64.617 63.200 -0.011 0.000 1.122 314 S HN 0.665 nan 8.310 nan 0.000 0.466 315 G N 1.362 110.179 108.800 0.028 0.000 2.760 315 G HA2 -0.116 3.944 3.960 0.168 0.000 0.246 315 G HA3 -0.116 3.944 3.960 0.168 0.000 0.246 315 G C -0.574 174.361 174.900 0.058 0.000 1.359 315 G CA -0.333 44.799 45.100 0.053 0.000 0.861 315 G HN 1.187 nan 8.290 nan 0.000 0.541 316 N N 1.187 119.929 118.700 0.071 0.000 2.440 316 N HA 0.181 5.022 4.740 0.168 0.000 0.265 316 N C -0.764 174.788 175.510 0.070 0.000 1.239 316 N CA -0.619 52.471 53.050 0.065 0.000 0.909 316 N CB 1.186 39.712 38.487 0.064 0.000 1.066 316 N HN 0.126 nan 8.380 nan 0.000 0.474 317 P HA -0.165 nan 4.420 nan 0.000 0.215 317 P C 1.624 178.968 177.300 0.074 0.000 1.157 317 P CA 0.742 63.886 63.100 0.072 0.000 0.874 317 P CB 0.227 31.976 31.700 0.081 0.000 0.790 318 L N -0.021 121.243 121.223 0.068 0.000 1.994 318 L HA -0.151 4.289 4.340 0.168 0.000 0.208 318 L C 1.636 178.542 176.870 0.060 0.000 1.071 318 L CA 2.146 57.023 54.840 0.063 0.000 0.745 318 L CB -1.441 40.650 42.059 0.054 0.000 0.892 318 L HN -0.161 nan 8.230 nan 0.000 0.431 319 D N -0.889 119.550 120.400 0.065 0.000 2.123 319 D HA -0.166 4.575 4.640 0.168 0.000 0.196 319 D C 2.054 178.412 176.300 0.096 0.000 0.992 319 D CA 1.945 55.987 54.000 0.069 0.000 0.833 319 D CB -0.401 40.441 40.800 0.070 0.000 0.954 319 D HN 0.423 nan 8.370 nan 0.000 0.455 320 T N 0.672 115.303 114.554 0.128 0.000 2.737 320 T HA -0.074 4.377 4.350 0.168 0.000 0.265 320 T C 2.325 177.095 174.700 0.116 0.000 1.038 320 T CA 0.632 62.847 62.100 0.192 0.000 1.144 320 T CB -0.407 68.539 68.868 0.130 0.000 0.866 320 T HN -0.037 nan 8.240 nan 0.000 0.434 321 V N 1.698 121.633 119.914 0.036 0.000 2.255 321 V HA -0.158 4.063 4.120 0.168 0.000 0.247 321 V C 2.537 178.575 176.094 -0.093 0.000 1.051 321 V CA 1.607 63.879 62.300 -0.047 0.000 1.018 321 V CB -0.715 31.074 31.823 -0.056 0.000 0.641 321 V HN 0.429 nan 8.190 nan 0.000 0.445 322 L N -0.430 120.766 121.223 -0.045 0.000 2.046 322 L HA -0.236 4.205 4.340 0.168 0.000 0.208 322 L C 2.589 179.430 176.870 -0.048 0.000 1.077 322 L CA 2.091 56.896 54.840 -0.058 0.000 0.747 322 L CB -0.609 41.470 42.059 0.034 0.000 0.896 322 L HN 0.313 nan 8.230 nan 0.000 0.432 323 K N -0.065 120.339 120.400 0.007 0.000 2.057 323 K HA -0.139 4.282 4.320 0.168 0.000 0.206 323 K C 2.024 178.656 176.600 0.054 0.000 1.050 323 K CA 1.086 57.372 56.287 -0.001 0.000 0.935 323 K CB 0.047 32.482 32.500 -0.109 0.000 0.715 323 K HN 0.033 nan 8.250 nan 0.000 0.439 324 V N 1.668 121.643 119.914 0.101 0.000 2.287 324 V HA -0.271 3.950 4.120 0.168 0.000 0.248 324 V C 2.262 178.302 176.094 -0.090 0.000 1.053 324 V CA 1.688 64.026 62.300 0.064 0.000 1.027 324 V CB -0.336 31.497 31.823 0.017 0.000 0.646 324 V HN 0.332 nan 8.190 nan 0.000 0.447 325 L N -0.533 120.516 121.223 -0.290 0.000 2.046 325 L HA -0.146 4.295 4.340 0.168 0.000 0.208 325 L C 2.730 179.387 176.870 -0.355 0.000 1.077 325 L CA 1.330 55.772 54.840 -0.662 0.000 0.747 325 L CB -0.627 40.589 42.059 -1.405 0.000 0.896 325 L HN 0.312 nan 8.230 nan 0.000 0.432 326 E N 0.200 120.371 120.200 -0.048 0.000 2.110 326 E HA -0.175 4.276 4.350 0.168 0.000 0.193 326 E C 2.263 178.966 176.600 0.171 0.000 0.988 326 E CA 1.204 57.730 56.400 0.211 0.000 0.804 326 E CB -0.186 29.618 29.700 0.175 0.000 0.745 326 E HN 0.521 nan 8.360 nan 0.000 0.458 327 I N 0.769 121.407 120.570 0.114 0.000 2.142 327 I HA -0.269 4.001 4.170 0.168 0.000 0.240 327 I C 2.431 178.662 176.117 0.192 0.000 1.078 327 I CA 0.948 62.335 61.300 0.145 0.000 1.343 327 I CB -0.255 37.844 38.000 0.166 0.000 1.046 327 I HN 0.038 nan 8.210 nan 0.000 0.405 328 L N 0.265 121.595 121.223 0.178 0.000 2.141 328 L HA -0.113 4.328 4.340 0.168 0.000 0.209 328 L C 2.584 179.659 176.870 0.342 0.000 1.094 328 L CA 1.305 56.312 54.840 0.278 0.000 0.763 328 L CB -1.063 41.048 42.059 0.088 0.000 0.908 328 L HN 0.340 nan 8.230 nan 0.000 0.437 329 G N -0.109 108.876 108.800 0.309 0.000 2.443 329 G HA2 -0.209 3.852 3.960 0.168 0.000 0.219 329 G HA3 -0.209 3.852 3.960 0.168 0.000 0.219 329 G C 1.670 176.736 174.900 0.276 0.000 1.131 329 G CA 0.401 45.749 45.100 0.414 0.000 0.775 329 G HN 0.308 nan 8.290 nan 0.000 0.547 330 K N -0.490 120.042 120.400 0.219 0.000 2.367 330 K HA 0.185 4.606 4.320 0.168 0.000 0.194 330 K C 1.850 178.506 176.600 0.094 0.000 1.027 330 K CA 0.078 56.449 56.287 0.140 0.000 1.075 330 K CB 0.355 32.924 32.500 0.115 0.000 0.845 330 K HN -0.027 nan 8.250 nan 0.000 0.529 331 K N -0.367 120.101 120.400 0.113 0.000 2.354 331 K HA 0.199 4.619 4.320 0.168 0.000 0.194 331 K C -0.228 176.184 176.600 -0.314 0.000 1.045 331 K CA 0.433 56.674 56.287 -0.078 0.000 1.026 331 K CB 0.616 33.076 32.500 -0.066 0.000 0.866 331 K HN -0.054 nan 8.250 nan 0.000 0.530 332 F N 1.528 121.553 119.950 0.126 0.000 2.577 332 F HA 0.322 4.952 4.527 0.171 0.000 0.318 332 F C -2.102 173.765 175.800 0.112 0.000 1.065 332 F CA -2.646 55.437 58.000 0.138 0.000 0.929 332 F CB 1.533 40.618 39.000 0.142 0.000 1.237 332 F HN -0.208 nan 8.300 nan 0.000 0.468 333 P HA 0.109 nan 4.420 nan 0.000 0.269 333 P C -0.710 176.673 177.300 0.137 0.000 1.263 333 P CA 0.182 63.387 63.100 0.175 0.000 0.813 333 P CB 0.584 32.382 31.700 0.163 0.000 0.868 334 V N 4.654 124.641 119.914 0.123 0.000 2.509 334 V HA 0.316 4.537 4.120 0.168 0.000 0.284 334 V C 1.256 177.374 176.094 0.040 0.000 1.047 334 V CA -0.058 62.300 62.300 0.097 0.000 0.952 334 V CB 1.294 33.187 31.823 0.116 0.000 0.988 334 V HN 0.641 nan 8.190 nan 0.000 0.469 335 T N 1.135 115.704 114.554 0.025 0.000 2.937 335 T HA 0.616 5.067 4.350 0.168 0.000 0.283 335 T C -0.537 174.154 174.700 -0.015 0.000 1.012 335 T CA -0.775 61.328 62.100 0.005 0.000 0.997 335 T CB 2.085 70.958 68.868 0.009 0.000 1.136 335 T HN 0.700 nan 8.240 nan 0.000 0.551 336 E N 1.498 121.686 120.200 -0.019 0.000 2.185 336 E HA 0.296 4.747 4.350 0.168 0.000 0.261 336 E C -0.390 176.210 176.600 0.001 0.000 0.879 336 E CA -0.854 55.528 56.400 -0.029 0.000 0.756 336 E CB 0.873 30.538 29.700 -0.059 0.000 1.152 336 E HN 0.751 nan 8.360 nan 0.000 0.416 337 N N 1.843 120.562 118.700 0.032 0.000 2.294 337 N HA -0.083 4.758 4.740 0.168 0.000 0.248 337 N C 0.808 176.345 175.510 0.044 0.000 1.300 337 N CA 0.348 53.425 53.050 0.046 0.000 0.925 337 N CB 0.427 38.956 38.487 0.069 0.000 1.188 337 N HN 0.346 nan 8.380 nan 0.000 0.512 338 S N -1.820 113.905 115.700 0.043 0.000 2.507 338 S HA -0.045 4.526 4.470 0.168 0.000 0.235 338 S C 1.032 175.663 174.600 0.051 0.000 0.988 338 S CA 0.467 58.687 58.200 0.034 0.000 0.944 338 S CB -0.272 62.944 63.200 0.027 0.000 0.762 338 S HN 0.513 nan 8.310 nan 0.000 0.526 339 K N 0.690 121.150 120.400 0.101 0.000 2.393 339 K HA 0.246 4.667 4.320 0.168 0.000 0.193 339 K C 1.399 178.075 176.600 0.128 0.000 1.026 339 K CA 0.661 57.047 56.287 0.165 0.000 1.064 339 K CB -0.040 32.620 32.500 0.268 0.000 0.833 339 K HN 0.583 nan 8.250 nan 0.000 0.521 340 G N 1.042 109.864 108.800 0.037 0.000 2.157 340 G HA2 -0.260 3.801 3.960 0.168 0.000 0.239 340 G HA3 -0.260 3.801 3.960 0.168 0.000 0.239 340 G C -0.344 174.397 174.900 -0.266 0.000 0.982 340 G CA -0.208 44.812 45.100 -0.133 0.000 0.650 340 G HN 0.238 nan 8.290 nan 0.000 0.527 341 Y N 0.811 121.084 120.300 -0.046 0.000 2.352 341 Y HA 0.561 5.218 4.550 0.178 0.000 0.326 341 Y C 1.119 176.961 175.900 -0.097 0.000 1.166 341 Y CA -0.660 57.401 58.100 -0.064 0.000 1.182 341 Y CB 0.988 39.447 38.460 0.000 0.000 1.216 341 Y HN -0.036 nan 8.280 nan 0.000 0.474 342 K N 2.611 122.964 120.400 -0.078 0.000 2.350 342 K HA 0.309 4.730 4.320 0.168 0.000 0.279 342 K C -1.301 175.336 176.600 0.062 0.000 1.027 342 K CA -0.332 55.832 56.287 -0.205 0.000 0.969 342 K CB 0.623 32.636 32.500 -0.811 0.000 0.954 342 K HN 0.343 nan 8.250 nan 0.000 0.474 343 L N 4.618 125.892 121.223 0.085 0.000 2.406 343 L HA 0.339 4.779 4.340 0.168 0.000 0.272 343 L C -0.993 175.952 176.870 0.126 0.000 0.980 343 L CA -0.458 54.464 54.840 0.137 0.000 0.831 343 L CB 1.335 43.435 42.059 0.069 0.000 1.253 343 L HN 0.536 nan 8.230 nan 0.000 0.406 344 L N 6.199 127.507 121.223 0.140 0.000 2.473 344 L HA 0.360 4.801 4.340 0.168 0.000 0.268 344 L C -1.701 175.090 176.870 -0.130 0.000 1.215 344 L CA -1.648 53.207 54.840 0.025 0.000 0.823 344 L CB 0.224 42.250 42.059 -0.056 0.000 1.099 344 L HN 0.519 nan 8.230 nan 0.000 0.483 345 P HA 0.025 nan 4.420 nan 0.000 0.267 345 P C -2.199 174.743 177.300 -0.597 0.000 1.200 345 P CA -1.243 61.558 63.100 -0.499 0.000 0.772 345 P CB -0.068 31.096 31.700 -0.893 0.000 0.855 346 P HA -0.139 nan 4.420 nan 0.000 0.225 346 P C 0.983 178.153 177.300 -0.218 0.000 1.148 346 P CA 1.480 64.436 63.100 -0.240 0.000 0.779 346 P CB -0.500 31.134 31.700 -0.109 0.000 0.780 347 Y N -1.627 118.613 120.300 -0.100 0.000 2.490 347 Y HA 0.501 5.153 4.550 0.171 0.000 0.281 347 Y C 0.530 176.293 175.900 -0.229 0.000 1.174 347 Y CA -1.103 56.915 58.100 -0.136 0.000 1.295 347 Y CB -0.691 37.711 38.460 -0.098 0.000 1.062 347 Y HN -0.212 nan 8.280 nan 0.000 0.522 348 L N 1.733 122.765 121.223 -0.319 0.000 2.439 348 L HA 0.649 5.090 4.340 0.168 0.000 0.270 348 L C -1.219 175.452 176.870 -0.332 0.000 0.972 348 L CA -1.011 53.610 54.840 -0.365 0.000 0.836 348 L CB 1.393 43.118 42.059 -0.557 0.000 1.255 348 L HN 0.003 nan 8.230 nan 0.000 0.404 349 R N 2.889 123.204 120.500 -0.308 0.000 2.869 349 R HA 0.831 5.272 4.340 0.168 0.000 0.263 349 R C -1.594 174.536 176.300 -0.284 0.000 1.066 349 R CA -0.868 55.075 56.100 -0.261 0.000 0.960 349 R CB 2.282 32.456 30.300 -0.209 0.000 1.221 349 R HN 0.380 nan 8.270 nan 0.000 0.474 350 V N 1.573 121.330 119.914 -0.261 0.000 2.656 350 V HA 0.556 4.777 4.120 0.168 0.000 0.307 350 V C -0.337 175.597 176.094 -0.267 0.000 1.051 350 V CA -0.859 61.282 62.300 -0.266 0.000 0.893 350 V CB 2.422 34.081 31.823 -0.274 0.000 0.999 350 V HN 0.623 nan 8.190 nan 0.000 0.426 351 I N 3.155 123.586 120.570 -0.232 0.000 2.436 351 I HA 0.554 4.825 4.170 0.168 0.000 0.289 351 I C -0.729 175.287 176.117 -0.167 0.000 1.010 351 I CA -0.606 60.566 61.300 -0.213 0.000 1.098 351 I CB 1.874 39.804 38.000 -0.117 0.000 1.266 351 I HN 0.747 nan 8.210 nan 0.000 0.434 352 Q N 5.538 125.201 119.800 -0.228 0.000 2.368 352 Q HA 0.518 4.958 4.340 0.168 0.000 0.256 352 Q C -0.059 175.996 176.000 0.092 0.000 0.980 352 Q CA -0.210 55.546 55.803 -0.078 0.000 0.887 352 Q CB 1.596 30.276 28.738 -0.096 0.000 1.221 352 Q HN 0.757 nan 8.270 nan 0.000 0.458 353 G N 3.014 111.906 108.800 0.153 0.000 3.969 353 G HA2 0.142 4.202 3.960 0.168 0.000 0.291 353 G HA3 0.142 4.202 3.960 0.168 0.000 0.291 353 G C -0.770 174.253 174.900 0.205 0.000 1.016 353 G CA -0.295 44.983 45.100 0.298 0.000 0.819 353 G HN 0.595 nan 8.290 nan 0.000 0.493 354 D N -0.830 119.648 120.400 0.131 0.000 2.505 354 D HA 0.468 5.209 4.640 0.168 0.000 0.249 354 D C 1.127 177.483 176.300 0.093 0.000 1.082 354 D CA 0.350 54.408 54.000 0.096 0.000 0.839 354 D CB 1.191 42.029 40.800 0.064 0.000 1.317 354 D HN 0.248 nan 8.370 nan 0.000 0.497 355 G N 2.304 111.153 108.800 0.081 0.000 2.203 355 G HA2 -0.224 3.837 3.960 0.168 0.000 0.263 355 G HA3 -0.224 3.837 3.960 0.168 0.000 0.263 355 G C 0.154 175.095 174.900 0.067 0.000 1.012 355 G CA 0.367 45.507 45.100 0.067 0.000 0.749 355 G HN 0.555 nan 8.290 nan 0.000 0.512 356 V N 1.860 121.823 119.914 0.082 0.000 2.408 356 V HA 0.539 4.760 4.120 0.168 0.000 0.267 356 V C 0.385 176.490 176.094 0.018 0.000 1.047 356 V CA 0.273 62.609 62.300 0.060 0.000 0.937 356 V CB 1.108 33.000 31.823 0.115 0.000 0.999 356 V HN 0.624 nan 8.190 nan 0.000 0.472 357 D N 3.391 123.786 120.400 -0.008 0.000 2.758 357 D HA 0.280 5.021 4.640 0.168 0.000 0.279 357 D C 1.014 177.286 176.300 -0.046 0.000 1.111 357 D CA -0.875 53.120 54.000 -0.010 0.000 1.109 357 D CB 1.097 41.912 40.800 0.025 0.000 1.428 357 D HN 0.250 nan 8.370 nan 0.000 0.586 358 I N -0.060 120.502 120.570 -0.013 0.000 2.286 358 I HA -0.253 4.017 4.170 0.168 0.000 0.248 358 I C 1.283 177.365 176.117 -0.057 0.000 1.115 358 I CA 1.394 62.675 61.300 -0.032 0.000 1.392 358 I CB -0.232 37.787 38.000 0.031 0.000 1.065 358 I HN 0.336 nan 8.210 nan 0.000 0.418 359 N N -0.380 118.304 118.700 -0.026 0.000 2.106 359 N HA -0.185 4.656 4.740 0.168 0.000 0.188 359 N C 1.707 177.188 175.510 -0.048 0.000 1.029 359 N CA 1.964 54.997 53.050 -0.028 0.000 0.848 359 N CB -0.235 38.253 38.487 0.002 0.000 1.007 359 N HN 0.471 nan 8.380 nan 0.000 0.423 360 T N -0.277 114.250 114.554 -0.044 0.000 2.904 360 T HA -0.032 4.419 4.350 0.168 0.000 0.267 360 T C 1.897 176.532 174.700 -0.109 0.000 1.059 360 T CA 0.369 62.444 62.100 -0.043 0.000 1.137 360 T CB -0.432 68.434 68.868 -0.002 0.000 0.879 360 T HN 0.077 nan 8.240 nan 0.000 0.467 361 L N 1.366 122.462 121.223 -0.211 0.000 1.990 361 L HA -0.142 4.299 4.340 0.168 0.000 0.213 361 L C 2.840 179.484 176.870 -0.376 0.000 1.072 361 L CA 2.312 56.873 54.840 -0.464 0.000 0.755 361 L CB -0.851 40.899 42.059 -0.516 0.000 0.889 361 L HN 0.296 nan 8.230 nan 0.000 0.432 362 Q N 0.037 119.688 119.800 -0.249 0.000 2.096 362 Q HA -0.305 4.136 4.340 0.168 0.000 0.204 362 Q C 2.176 178.053 176.000 -0.204 0.000 0.982 362 Q CA 2.415 58.086 55.803 -0.221 0.000 0.850 362 Q CB -0.456 28.214 28.738 -0.113 0.000 0.901 362 Q HN 0.677 nan 8.270 nan 0.000 0.422 363 E N -0.580 119.549 120.200 -0.119 0.000 2.077 363 E HA -0.184 4.267 4.350 0.168 0.000 0.193 363 E C 1.935 178.503 176.600 -0.053 0.000 0.989 363 E CA 1.453 57.815 56.400 -0.062 0.000 0.800 363 E CB -0.181 29.505 29.700 -0.023 0.000 0.746 363 E HN 0.552 nan 8.360 nan 0.000 0.452 364 I N 0.731 121.276 120.570 -0.041 0.000 2.163 364 I HA -0.235 4.036 4.170 0.168 0.000 0.240 364 I C 2.623 178.752 176.117 0.021 0.000 1.081 364 I CA 1.077 62.408 61.300 0.053 0.000 1.353 364 I CB -0.406 37.732 38.000 0.230 0.000 1.054 364 I HN 0.136 nan 8.210 nan 0.000 0.407 365 V N -0.673 119.178 119.914 -0.105 0.000 2.407 365 V HA -0.245 3.975 4.120 0.168 0.000 0.248 365 V C 2.385 178.276 176.094 -0.338 0.000 1.055 365 V CA 2.147 64.303 62.300 -0.240 0.000 1.049 365 V CB -0.896 30.632 31.823 -0.493 0.000 0.662 365 V HN 0.406 nan 8.190 nan 0.000 0.455 366 E N 2.151 122.114 120.200 -0.395 0.000 2.072 366 E HA -0.009 4.442 4.350 0.168 0.000 0.191 366 E C 2.171 178.808 176.600 0.061 0.000 0.985 366 E CA 1.897 58.238 56.400 -0.097 0.000 0.801 366 E CB -1.088 28.592 29.700 -0.033 0.000 0.750 366 E HN 0.574 nan 8.360 nan 0.000 0.452 367 G N 0.349 109.173 108.800 0.040 0.000 2.418 367 G HA2 -0.263 3.798 3.960 0.168 0.000 0.217 367 G HA3 -0.263 3.798 3.960 0.168 0.000 0.217 367 G C 1.668 176.657 174.900 0.148 0.000 1.158 367 G CA 1.088 46.242 45.100 0.090 0.000 0.771 367 G HN 0.261 nan 8.290 nan 0.000 0.545 368 M N 0.110 119.800 119.600 0.150 0.000 2.086 368 M HA -0.041 4.540 4.480 0.168 0.000 0.261 368 M C 2.542 179.033 176.300 0.317 0.000 1.067 368 M CA 1.678 57.126 55.300 0.246 0.000 1.116 368 M CB -0.250 32.465 32.600 0.192 0.000 1.348 368 M HN 0.211 nan 8.290 nan 0.000 0.407 369 K N 0.455 121.016 120.400 0.268 0.000 2.063 369 K HA -0.223 4.197 4.320 0.168 0.000 0.208 369 K C 1.850 178.656 176.600 0.345 0.000 1.048 369 K CA 1.628 58.123 56.287 0.347 0.000 0.928 369 K CB -0.063 32.651 32.500 0.356 0.000 0.713 369 K HN 0.437 nan 8.250 nan 0.000 0.442 370 Q N -0.105 119.840 119.800 0.241 0.000 2.170 370 Q HA -0.082 4.359 4.340 0.168 0.000 0.203 370 Q C 1.268 177.357 176.000 0.150 0.000 0.976 370 Q CA 1.027 56.934 55.803 0.173 0.000 0.858 370 Q CB 0.203 29.022 28.738 0.135 0.000 0.907 370 Q HN 0.084 nan 8.270 nan 0.000 0.433 371 K N -0.202 120.319 120.400 0.203 0.000 2.417 371 K HA 0.117 4.538 4.320 0.168 0.000 0.196 371 K C 0.122 176.757 176.600 0.058 0.000 1.023 371 K CA 0.031 56.432 56.287 0.189 0.000 1.122 371 K CB 0.613 33.325 32.500 0.352 0.000 0.850 371 K HN 0.204 nan 8.250 nan 0.000 0.521 372 M N -1.538 118.124 119.600 0.104 0.000 2.818 372 M HA -0.195 4.386 4.480 0.168 0.000 0.204 372 M C -1.125 175.201 176.300 0.042 0.000 0.552 372 M CA 0.762 56.059 55.300 -0.005 0.000 0.687 372 M CB -2.582 29.846 32.600 -0.286 0.000 2.512 372 M HN 0.180 nan 8.290 nan 0.000 0.563 373 W N 0.659 122.127 121.300 0.279 0.000 2.361 373 W HA 0.555 5.310 4.660 0.158 0.000 0.309 373 W C 0.993 177.618 176.519 0.176 0.000 1.122 373 W CA -0.330 57.130 57.345 0.193 0.000 1.208 373 W CB 1.099 30.620 29.460 0.103 0.000 1.246 373 W HN 0.205 nan 8.180 nan 0.000 0.490 374 S N 3.327 119.252 115.700 0.375 0.000 2.562 374 S HA 0.057 4.628 4.470 0.168 0.000 0.281 374 S C 1.213 175.896 174.600 0.138 0.000 1.333 374 S CA -0.498 57.797 58.200 0.157 0.000 1.052 374 S CB 0.421 63.705 63.200 0.140 0.000 0.884 374 S HN 0.403 nan 8.310 nan 0.000 0.506 375 I N 3.956 124.567 120.570 0.069 0.000 2.916 375 I HA -0.049 4.221 4.170 0.168 0.000 0.267 375 I C 2.059 178.214 176.117 0.062 0.000 1.263 375 I CA 0.950 62.303 61.300 0.088 0.000 1.471 375 I CB -1.646 36.427 38.000 0.121 0.000 1.089 375 I HN 0.758 nan 8.210 nan 0.000 0.468 376 E N 1.214 121.444 120.200 0.050 0.000 2.160 376 E HA -0.243 4.208 4.350 0.168 0.000 0.195 376 E C 1.686 178.286 176.600 -0.001 0.000 0.991 376 E CA 1.466 57.884 56.400 0.029 0.000 0.810 376 E CB -0.250 29.469 29.700 0.030 0.000 0.742 376 E HN 0.631 nan 8.360 nan 0.000 0.466 377 N N -0.108 118.598 118.700 0.010 0.000 2.309 377 N HA -0.023 4.818 4.740 0.168 0.000 0.182 377 N C 0.180 175.610 175.510 -0.133 0.000 1.018 377 N CA 0.310 53.331 53.050 -0.048 0.000 0.876 377 N CB 0.284 38.766 38.487 -0.009 0.000 0.972 377 N HN 0.051 nan 8.380 nan 0.000 0.434 378 I N -0.141 120.348 120.570 -0.135 0.000 2.530 378 I HA 0.556 4.827 4.170 0.168 0.000 0.297 378 I C -1.120 174.838 176.117 -0.265 0.000 1.011 378 I CA -0.872 60.262 61.300 -0.276 0.000 1.107 378 I CB 1.511 39.288 38.000 -0.372 0.000 1.285 378 I HN -0.114 nan 8.210 nan 0.000 0.436 379 A N 5.834 128.432 122.820 -0.369 0.000 2.423 379 A HA 0.847 5.268 4.320 0.168 0.000 0.304 379 A C -1.569 175.724 177.584 -0.486 0.000 1.104 379 A CA -0.413 51.471 52.037 -0.255 0.000 0.757 379 A CB 0.792 19.724 19.000 -0.113 0.000 1.313 379 A HN 0.518 nan 8.150 nan 0.000 0.423 380 F N -0.100 119.806 119.950 -0.074 0.000 2.538 380 F HA 0.685 5.111 4.527 -0.167 0.000 0.325 380 F C 0.859 176.558 175.800 -0.168 0.000 1.066 380 F CA -0.254 57.690 58.000 -0.093 0.000 0.946 380 F CB 2.714 41.654 39.000 -0.100 0.000 1.199 380 F HN 0.738 nan 8.300 nan 0.000 0.473 381 G N 0.228 109.054 108.800 0.043 0.000 2.542 381 G HA2 0.525 4.586 3.960 0.168 0.000 0.311 381 G HA3 0.525 4.586 3.960 0.168 0.000 0.311 381 G C -1.736 173.158 174.900 -0.011 0.000 1.298 381 G CA -0.698 44.240 45.100 -0.269 0.000 0.973 381 G HN 0.590 nan 8.290 nan 0.000 0.487 382 S N 0.140 115.759 115.700 -0.135 0.000 2.571 382 S HA 0.745 5.316 4.470 0.168 0.000 0.284 382 S C 0.694 175.305 174.600 0.019 0.000 1.128 382 S CA 0.171 58.361 58.200 -0.017 0.000 0.970 382 S CB 1.487 64.631 63.200 -0.094 0.000 1.039 382 S HN 1.024 nan 8.310 nan 0.000 0.485 383 G N 2.915 111.779 108.800 0.106 0.000 2.601 383 G HA2 0.358 4.419 3.960 0.168 0.000 0.214 383 G HA3 0.358 4.419 3.960 0.168 0.000 0.214 383 G C 1.299 176.245 174.900 0.076 0.000 2.067 383 G CA 0.438 45.611 45.100 0.120 0.000 0.774 383 G HN 0.936 nan 8.290 nan 0.000 0.729 384 G N 0.606 109.456 108.800 0.084 0.000 2.442 384 G HA2 0.053 4.114 3.960 0.168 0.000 0.219 384 G HA3 0.053 4.114 3.960 0.168 0.000 0.219 384 G C 1.723 176.667 174.900 0.073 0.000 1.141 384 G CA 1.614 46.761 45.100 0.079 0.000 0.763 384 G HN 0.769 nan 8.290 nan 0.000 0.554 385 G N 0.368 109.203 108.800 0.059 0.000 2.432 385 G HA2 -0.071 3.990 3.960 0.168 0.000 0.219 385 G HA3 -0.071 3.990 3.960 0.168 0.000 0.219 385 G C 1.679 176.602 174.900 0.039 0.000 1.135 385 G CA 0.998 46.128 45.100 0.051 0.000 0.767 385 G HN 0.419 nan 8.290 nan 0.000 0.550 386 L N -0.562 120.667 121.223 0.009 0.000 2.168 386 L HA 0.389 4.830 4.340 0.168 0.000 0.203 386 L C 2.180 179.048 176.870 -0.002 0.000 1.078 386 L CA 1.231 56.051 54.840 -0.034 0.000 0.780 386 L CB 0.065 42.034 42.059 -0.150 0.000 0.939 386 L HN 0.150 nan 8.230 nan 0.000 0.451 387 L N -1.802 119.448 121.223 0.046 0.000 2.781 387 L HA 0.233 4.674 4.340 0.168 0.000 0.245 387 L C 1.635 178.654 176.870 0.250 0.000 1.118 387 L CA 0.044 54.958 54.840 0.124 0.000 0.918 387 L CB 0.414 42.535 42.059 0.103 0.000 1.246 387 L HN 0.277 nan 8.230 nan 0.000 0.526 388 Q N 0.591 120.499 119.800 0.181 0.000 2.620 388 Q HA 0.094 4.535 4.340 0.168 0.000 0.232 388 Q C 1.087 177.195 176.000 0.181 0.000 0.836 388 Q CA 0.640 56.549 55.803 0.177 0.000 0.938 388 Q CB 0.532 29.339 28.738 0.115 0.000 1.242 388 Q HN 0.005 nan 8.270 nan 0.000 0.624 389 K N 1.174 121.657 120.400 0.139 0.000 3.000 389 K HA 0.233 4.654 4.320 0.168 0.000 0.265 389 K C -1.092 175.593 176.600 0.142 0.000 1.260 389 K CA 0.052 56.412 56.287 0.122 0.000 1.209 389 K CB -0.728 31.825 32.500 0.088 0.000 1.484 389 K HN 0.160 nan 8.250 nan 0.000 0.283 390 L N 0.371 121.723 121.223 0.215 0.000 2.422 390 L HA 0.403 4.843 4.340 0.168 0.000 0.264 390 L C -0.082 176.983 176.870 0.325 0.000 0.984 390 L CA -0.937 54.056 54.840 0.255 0.000 0.819 390 L CB 2.275 44.520 42.059 0.309 0.000 1.330 390 L HN 0.189 nan 8.230 nan 0.000 0.410 391 T N -2.594 112.026 114.554 0.110 0.000 2.926 391 T HA 0.394 4.845 4.350 0.168 0.000 0.289 391 T C 0.669 175.010 174.700 -0.599 0.000 1.054 391 T CA -0.818 61.129 62.100 -0.255 0.000 1.015 391 T CB 2.187 70.935 68.868 -0.200 0.000 1.167 391 T HN 0.631 nan 8.240 nan 0.000 0.526 392 R N -0.100 119.656 120.500 -1.240 0.000 2.159 392 R HA -0.100 4.341 4.340 0.168 0.000 0.237 392 R C 0.826 176.908 176.300 -0.363 0.000 1.131 392 R CA 1.659 57.162 56.100 -0.995 0.000 0.982 392 R CB -0.301 29.341 30.300 -1.096 0.000 0.868 392 R HN 0.643 nan 8.270 nan 0.000 0.453 393 D N 0.192 120.419 120.400 -0.288 0.000 2.347 393 D HA -0.100 4.640 4.640 0.168 0.000 0.213 393 D C 1.645 177.887 176.300 -0.097 0.000 0.985 393 D CA 0.275 54.182 54.000 -0.155 0.000 0.879 393 D CB 0.096 40.821 40.800 -0.126 0.000 0.919 393 D HN 0.177 nan 8.370 nan 0.000 0.526 394 L N 0.255 121.420 121.223 -0.097 0.000 2.042 394 L HA -0.097 4.343 4.340 0.168 0.000 0.210 394 L C 1.647 178.463 176.870 -0.090 0.000 1.076 394 L CA 1.613 56.403 54.840 -0.085 0.000 0.749 394 L CB -0.100 41.889 42.059 -0.116 0.000 0.893 394 L HN -0.021 nan 8.230 nan 0.000 0.432 395 L N -0.504 120.682 121.223 -0.063 0.000 2.769 395 L HA 0.214 4.655 4.340 0.168 0.000 0.240 395 L C 0.187 177.047 176.870 -0.017 0.000 1.163 395 L CA -0.253 54.572 54.840 -0.024 0.000 0.962 395 L CB -0.262 41.808 42.059 0.019 0.000 1.258 395 L HN 0.249 nan 8.230 nan 0.000 0.513 396 N N -0.108 118.565 118.700 -0.045 0.000 2.725 396 N HA -0.176 4.665 4.740 0.168 0.000 0.251 396 N C -0.164 175.271 175.510 -0.125 0.000 1.031 396 N CA 0.537 53.543 53.050 -0.073 0.000 0.720 396 N CB -1.927 36.529 38.487 -0.052 0.000 0.930 396 N HN 0.288 nan 8.380 nan 0.000 0.543 397 C N 0.543 119.775 119.300 -0.114 0.000 2.648 397 C HA 0.386 4.947 4.460 0.168 0.000 0.415 397 C C 1.304 176.111 174.990 -0.306 0.000 1.366 397 C CA -0.188 58.697 59.018 -0.223 0.000 1.756 397 C CB -0.069 27.758 27.740 0.144 0.000 2.549 397 C HN 0.478 nan 8.230 nan 0.000 0.597 398 S N 2.341 117.687 115.700 -0.589 0.000 2.548 398 S HA 0.698 5.268 4.470 0.168 0.000 0.276 398 S C -1.294 173.035 174.600 -0.450 0.000 1.129 398 S CA -0.411 57.566 58.200 -0.373 0.000 0.931 398 S CB 0.848 63.873 63.200 -0.293 0.000 1.068 398 S HN 0.583 nan 8.310 nan 0.000 0.480 399 F N 4.964 124.736 119.950 -0.296 0.000 2.445 399 F HA 0.669 5.296 4.527 0.167 0.000 0.348 399 F C -0.466 175.210 175.800 -0.206 0.000 1.125 399 F CA -0.414 57.451 58.000 -0.224 0.000 0.983 399 F CB 0.751 39.788 39.000 0.062 0.000 1.198 399 F HN 0.350 nan 8.300 nan 0.000 0.436 400 K N 5.010 125.082 120.400 -0.546 0.000 2.469 400 K HA 0.300 4.721 4.320 0.168 0.000 0.254 400 K C -1.316 175.188 176.600 -0.161 0.000 0.939 400 K CA -0.678 55.465 56.287 -0.241 0.000 0.812 400 K CB 1.843 34.240 32.500 -0.171 0.000 1.301 400 K HN 0.673 nan 8.250 nan 0.000 0.433 401 C N 2.329 121.669 119.300 0.067 0.000 2.576 401 C HA 0.219 4.780 4.460 0.168 0.000 0.401 401 C C 1.628 176.779 174.990 0.269 0.000 1.314 401 C CA 0.276 59.397 59.018 0.172 0.000 1.855 401 C CB -1.166 26.699 27.740 0.209 0.000 2.537 401 C HN 0.862 nan 8.230 nan 0.000 0.578 402 S N 3.545 119.469 115.700 0.374 0.000 2.559 402 S HA 0.224 4.795 4.470 0.168 0.000 0.226 402 S C -0.303 174.528 174.600 0.386 0.000 1.030 402 S CA -0.113 58.315 58.200 0.379 0.000 0.956 402 S CB 0.064 63.462 63.200 0.330 0.000 0.900 402 S HN 0.919 nan 8.310 nan 0.000 0.510 403 Y N 1.581 122.022 120.300 0.235 0.000 2.442 403 Y HA 0.568 5.218 4.550 0.168 0.000 0.330 403 Y C -1.348 174.623 175.900 0.119 0.000 1.100 403 Y CA -1.248 56.916 58.100 0.107 0.000 1.034 403 Y CB 1.970 40.371 38.460 -0.098 0.000 1.285 403 Y HN 0.262 nan 8.280 nan 0.000 0.440 404 V N 2.847 122.491 119.914 -0.450 0.000 2.962 404 V HA 0.871 5.091 4.120 0.168 0.000 0.313 404 V C -1.645 174.074 176.094 -0.625 0.000 1.099 404 V CA -1.076 60.985 62.300 -0.399 0.000 0.971 404 V CB 1.585 33.317 31.823 -0.152 0.000 1.028 404 V HN 0.546 nan 8.190 nan 0.000 0.430 405 V N 2.302 121.980 119.914 -0.394 0.000 2.357 405 V HA 0.640 4.860 4.120 0.168 0.000 0.284 405 V C 0.096 176.087 176.094 -0.173 0.000 1.018 405 V CA 0.071 62.205 62.300 -0.277 0.000 0.841 405 V CB 1.388 33.108 31.823 -0.172 0.000 0.991 405 V HN 1.106 nan 8.190 nan 0.000 0.437 406 T N 3.634 118.102 114.554 -0.143 0.000 2.848 406 T HA 0.381 4.832 4.350 0.168 0.000 0.285 406 T C 0.330 174.982 174.700 -0.081 0.000 0.995 406 T CA -0.523 61.510 62.100 -0.111 0.000 0.970 406 T CB 0.835 69.645 68.868 -0.096 0.000 0.976 406 T HN 0.774 nan 8.240 nan 0.000 0.441 407 N N 1.648 120.304 118.700 -0.073 0.000 2.735 407 N HA -0.225 4.616 4.740 0.168 0.000 0.248 407 N C 1.071 176.556 175.510 -0.041 0.000 1.083 407 N CA 0.846 53.865 53.050 -0.051 0.000 0.703 407 N CB -0.995 37.467 38.487 -0.042 0.000 1.005 407 N HN 1.223 nan 8.380 nan 0.000 0.550 408 G N -1.520 107.253 108.800 -0.045 0.000 2.189 408 G HA2 -0.329 3.732 3.960 0.168 0.000 0.267 408 G HA3 -0.329 3.732 3.960 0.168 0.000 0.267 408 G C 0.004 174.888 174.900 -0.026 0.000 0.975 408 G CA 0.651 45.733 45.100 -0.029 0.000 0.644 408 G HN 0.390 nan 8.290 nan 0.000 0.537 409 L N 0.946 122.144 121.223 -0.042 0.000 2.322 409 L HA 0.652 5.092 4.340 0.168 0.000 0.281 409 L C 1.131 177.957 176.870 -0.074 0.000 1.014 409 L CA -0.616 54.204 54.840 -0.035 0.000 0.815 409 L CB 1.833 43.876 42.059 -0.026 0.000 1.247 409 L HN 0.151 nan 8.230 nan 0.000 0.421 410 G N 4.577 113.353 108.800 -0.039 0.000 2.378 410 G HA2 0.438 4.499 3.960 0.168 0.000 0.255 410 G HA3 0.438 4.499 3.960 0.168 0.000 0.255 410 G C -0.363 174.494 174.900 -0.072 0.000 1.270 410 G CA -0.279 44.755 45.100 -0.109 0.000 0.876 410 G HN 0.311 nan 8.290 nan 0.000 0.521 411 I N 2.215 122.653 120.570 -0.219 0.000 2.436 411 I HA 0.209 4.480 4.170 0.168 0.000 0.289 411 I C -0.759 175.380 176.117 0.036 0.000 1.010 411 I CA -1.500 59.766 61.300 -0.058 0.000 1.098 411 I CB 1.662 39.621 38.000 -0.068 0.000 1.266 411 I HN 0.312 nan 8.210 nan 0.000 0.434 412 N N 6.027 124.821 118.700 0.158 0.000 2.401 412 N HA 0.300 5.141 4.740 0.168 0.000 0.255 412 N C -0.139 175.535 175.510 0.274 0.000 1.110 412 N CA -0.106 53.084 53.050 0.232 0.000 0.949 412 N CB 1.480 40.073 38.487 0.177 0.000 1.110 412 N HN 0.483 nan 8.380 nan 0.000 0.490 413 V N 0.084 120.165 119.914 0.278 0.000 2.881 413 V HA 0.962 5.183 4.120 0.168 0.000 0.316 413 V C -0.488 175.841 176.094 0.392 0.000 1.070 413 V CA -0.908 61.545 62.300 0.255 0.000 0.976 413 V CB 1.328 33.220 31.823 0.115 0.000 1.038 413 V HN 0.516 nan 8.190 nan 0.000 0.446 414 F N 0.065 120.065 119.950 0.084 0.000 2.769 414 F HA 0.733 5.360 4.527 0.168 0.000 0.313 414 F C -0.978 174.860 175.800 0.063 0.000 1.146 414 F CA -1.275 56.776 58.000 0.085 0.000 0.934 414 F CB 1.374 40.416 39.000 0.069 0.000 1.283 414 F HN 0.814 nan 8.300 nan 0.000 0.443 415 K N 0.474 120.954 120.400 0.132 0.000 2.118 415 K HA 0.703 5.124 4.320 0.168 0.000 0.254 415 K C -1.648 175.075 176.600 0.206 0.000 0.961 415 K CA -0.683 55.628 56.287 0.041 0.000 0.876 415 K CB 2.087 34.611 32.500 0.040 0.000 1.077 415 K HN 0.703 nan 8.250 nan 0.000 0.440 416 D N 2.189 122.669 120.400 0.133 0.000 2.823 416 D HA 0.276 5.017 4.640 0.168 0.000 0.255 416 D C -2.580 173.774 176.300 0.089 0.000 1.257 416 D CA -1.280 52.826 54.000 0.176 0.000 0.803 416 D CB 0.676 41.666 40.800 0.318 0.000 1.384 416 D HN 0.384 nan 8.370 nan 0.000 0.541 417 P HA 0.028 nan 4.420 nan 0.000 0.267 417 P C 1.156 178.477 177.300 0.035 0.000 1.205 417 P CA -0.432 62.689 63.100 0.034 0.000 0.765 417 P CB 1.507 33.222 31.700 0.025 0.000 0.828 418 V N 3.183 123.113 119.914 0.027 0.000 2.407 418 V HA -0.244 3.977 4.120 0.168 0.000 0.248 418 V C 1.811 177.918 176.094 0.021 0.000 1.055 418 V CA 2.662 64.978 62.300 0.026 0.000 1.049 418 V CB -0.960 30.875 31.823 0.020 0.000 0.662 418 V HN 0.687 nan 8.190 nan 0.000 0.455 419 A N -1.298 121.532 122.820 0.016 0.000 2.218 419 A HA 0.106 4.527 4.320 0.168 0.000 0.209 419 A C 0.921 178.513 177.584 0.014 0.000 1.168 419 A CA 0.911 52.956 52.037 0.013 0.000 0.804 419 A CB -0.087 18.918 19.000 0.009 0.000 0.834 419 A HN 0.573 nan 8.150 nan 0.000 0.482 420 D N -1.488 118.922 120.400 0.017 0.000 2.364 420 D HA 0.328 5.069 4.640 0.168 0.000 0.251 420 D C -2.391 173.924 176.300 0.025 0.000 1.282 420 D CA -1.596 52.415 54.000 0.017 0.000 0.927 420 D CB 1.321 42.128 40.800 0.012 0.000 1.267 420 D HN -0.092 nan 8.370 nan 0.000 0.531 421 P HA -0.089 nan 4.420 nan 0.000 0.219 421 P C 1.144 178.462 177.300 0.030 0.000 1.146 421 P CA 0.726 63.845 63.100 0.032 0.000 0.808 421 P CB 0.353 32.068 31.700 0.025 0.000 0.779 422 N N -0.074 118.639 118.700 0.023 0.000 2.289 422 N HA -0.140 4.701 4.740 0.168 0.000 0.184 422 N C 1.252 176.774 175.510 0.020 0.000 1.016 422 N CA 1.107 54.168 53.050 0.019 0.000 0.872 422 N CB -0.355 38.139 38.487 0.012 0.000 0.973 422 N HN 0.018 nan 8.380 nan 0.000 0.433 423 K N 0.105 120.519 120.400 0.024 0.000 2.458 423 K HA 0.044 4.464 4.320 0.168 0.000 0.194 423 K C 0.114 176.746 176.600 0.054 0.000 1.024 423 K CA -0.233 56.070 56.287 0.025 0.000 1.108 423 K CB 0.199 32.711 32.500 0.019 0.000 0.846 423 K HN 0.177 nan 8.250 nan 0.000 0.518 424 R N 2.081 122.622 120.500 0.069 0.000 2.522 424 R HA -0.009 4.432 4.340 0.168 0.000 0.284 424 R C -0.197 176.174 176.300 0.119 0.000 1.032 424 R CA 0.177 56.343 56.100 0.111 0.000 1.049 424 R CB 0.514 30.868 30.300 0.089 0.000 0.956 424 R HN 0.032 nan 8.270 nan 0.000 0.422 425 S N 3.082 118.894 115.700 0.186 0.000 2.718 425 S HA 0.404 4.975 4.470 0.168 0.000 0.300 425 S C -0.525 174.199 174.600 0.207 0.000 1.117 425 S CA -1.034 57.304 58.200 0.230 0.000 1.002 425 S CB 1.768 65.122 63.200 0.257 0.000 1.092 425 S HN 0.564 nan 8.310 nan 0.000 0.542 426 K N 0.609 121.131 120.400 0.203 0.000 2.168 426 K HA 0.324 4.745 4.320 0.168 0.000 0.258 426 K C -0.343 176.259 176.600 0.004 0.000 1.010 426 K CA -0.360 55.903 56.287 -0.041 0.000 0.929 426 K CB 0.469 32.765 32.500 -0.339 0.000 0.998 426 K HN 0.499 nan 8.250 nan 0.000 0.479 427 K N 0.806 121.166 120.400 -0.067 0.000 2.244 427 K HA 0.396 4.817 4.320 0.168 0.000 0.260 427 K C 0.013 176.606 176.600 -0.013 0.000 0.951 427 K CA -0.428 55.863 56.287 0.006 0.000 0.826 427 K CB 1.784 34.229 32.500 -0.091 0.000 1.108 427 K HN 0.847 nan 8.250 nan 0.000 0.433 428 G N 2.130 110.978 108.800 0.080 0.000 2.693 428 G HA2 -0.282 3.778 3.960 0.168 0.000 0.226 428 G HA3 -0.282 3.778 3.960 0.168 0.000 0.226 428 G C -0.802 173.966 174.900 -0.221 0.000 1.354 428 G CA -0.746 44.356 45.100 0.004 0.000 0.873 428 G HN 0.628 nan 8.290 nan 0.000 0.562 429 R N -0.517 119.626 120.500 -0.595 0.000 2.491 429 R HA 0.490 4.931 4.340 0.168 0.000 0.283 429 R C 0.361 176.479 176.300 -0.303 0.000 1.072 429 R CA -0.032 55.606 56.100 -0.769 0.000 1.048 429 R CB 0.250 29.984 30.300 -0.943 0.000 0.983 429 R HN 0.433 nan 8.270 nan 0.000 0.450 430 L N 1.310 122.483 121.223 -0.083 0.000 2.333 430 L HA 0.576 5.017 4.340 0.168 0.000 0.269 430 L C -0.083 176.776 176.870 -0.019 0.000 1.010 430 L CA -0.759 54.047 54.840 -0.058 0.000 0.818 430 L CB 2.060 44.050 42.059 -0.115 0.000 1.306 430 L HN 0.746 nan 8.230 nan 0.000 0.430 431 S N 1.372 117.045 115.700 -0.045 0.000 2.537 431 S HA 0.689 5.259 4.470 0.168 0.000 0.270 431 S C -1.321 173.187 174.600 -0.153 0.000 1.142 431 S CA -0.795 57.351 58.200 -0.089 0.000 0.870 431 S CB 2.198 65.394 63.200 -0.007 0.000 1.112 431 S HN 0.440 nan 8.310 nan 0.000 0.466 432 L N 1.940 122.979 121.223 -0.308 0.000 2.317 432 L HA 0.770 5.211 4.340 0.168 0.000 0.281 432 L C -1.316 175.292 176.870 -0.436 0.000 1.024 432 L CA 0.112 54.821 54.840 -0.219 0.000 0.810 432 L CB 1.129 43.133 42.059 -0.091 0.000 1.240 432 L HN 0.975 nan 8.230 nan 0.000 0.427 433 H N 2.132 121.187 119.070 -0.024 0.000 2.895 433 H HA 0.610 5.267 4.556 0.168 0.000 0.373 433 H C -0.850 174.450 175.328 -0.047 0.000 1.174 433 H CA -0.973 55.042 56.048 -0.054 0.000 1.144 433 H CB 1.291 30.919 29.762 -0.224 0.000 1.793 433 H HN 0.365 nan 8.280 nan 0.000 0.551 434 R N 1.142 121.694 120.500 0.087 0.000 2.442 434 R HA 0.175 4.616 4.340 0.168 0.000 0.291 434 R C -0.061 176.302 176.300 0.106 0.000 1.069 434 R CA -0.232 55.834 56.100 -0.056 0.000 1.022 434 R CB 0.165 30.431 30.300 -0.056 0.000 0.976 434 R HN 0.821 nan 8.270 nan 0.000 0.443 435 T N 1.158 115.738 114.554 0.044 0.000 2.849 435 T HA 0.280 4.731 4.350 0.168 0.000 0.284 435 T C -1.540 173.212 174.700 0.086 0.000 1.004 435 T CA -1.567 60.643 62.100 0.183 0.000 1.021 435 T CB 1.083 70.022 68.868 0.118 0.000 1.013 435 T HN 0.343 nan 8.240 nan 0.000 0.527 436 P HA 0.022 nan 4.420 nan 0.000 0.218 436 P C 1.290 178.585 177.300 -0.008 0.000 1.148 436 P CA 1.150 64.251 63.100 0.001 0.000 0.822 436 P CB -0.249 31.433 31.700 -0.029 0.000 0.784 437 A N -1.185 121.634 122.820 -0.003 0.000 2.238 437 A HA 0.416 4.837 4.320 0.168 0.000 0.208 437 A C 1.608 179.171 177.584 -0.035 0.000 1.177 437 A CA 0.817 52.846 52.037 -0.014 0.000 0.804 437 A CB -1.184 17.814 19.000 -0.004 0.000 0.823 437 A HN 0.257 nan 8.150 nan 0.000 0.482 438 G N -0.828 107.937 108.800 -0.058 0.000 2.131 438 G HA2 -0.243 3.818 3.960 0.168 0.000 0.223 438 G HA3 -0.243 3.818 3.960 0.168 0.000 0.223 438 G C 0.011 174.789 174.900 -0.203 0.000 0.990 438 G CA 0.271 45.300 45.100 -0.118 0.000 0.671 438 G HN 0.644 nan 8.290 nan 0.000 0.521 439 N N -1.137 117.465 118.700 -0.163 0.000 2.593 439 N HA 0.796 5.637 4.740 0.168 0.000 0.304 439 N C -0.480 174.833 175.510 -0.329 0.000 1.296 439 N CA -0.638 52.317 53.050 -0.159 0.000 0.950 439 N CB 0.529 39.022 38.487 0.010 0.000 1.127 439 N HN 0.073 nan 8.380 nan 0.000 0.587 440 F N 0.014 119.984 119.950 0.032 0.000 2.508 440 F HA 0.632 5.259 4.527 0.167 0.000 0.325 440 F C -0.245 175.548 175.800 -0.012 0.000 1.090 440 F CA -0.818 57.195 58.000 0.021 0.000 0.945 440 F CB 1.632 40.650 39.000 0.030 0.000 1.156 440 F HN -0.037 nan 8.300 nan 0.000 0.463 441 V N 1.865 121.848 119.914 0.115 0.000 2.760 441 V HA 0.524 4.745 4.120 0.168 0.000 0.309 441 V C -0.870 175.205 176.094 -0.032 0.000 1.077 441 V CA -0.276 62.016 62.300 -0.014 0.000 0.910 441 V CB 2.320 34.044 31.823 -0.166 0.000 1.008 441 V HN 0.780 nan 8.190 nan 0.000 0.424 442 T N 8.006 122.538 114.554 -0.036 0.000 2.744 442 T HA 0.525 4.976 4.350 0.168 0.000 0.291 442 T C -0.239 174.413 174.700 -0.080 0.000 0.957 442 T CA -0.068 61.999 62.100 -0.055 0.000 1.002 442 T CB 0.477 69.302 68.868 -0.071 0.000 0.919 442 T HN 0.495 nan 8.240 nan 0.000 0.468 443 L N 3.868 125.058 121.223 -0.055 0.000 2.292 443 L HA 0.462 4.903 4.340 0.168 0.000 0.284 443 L C 0.742 177.563 176.870 -0.082 0.000 1.065 443 L CA -0.587 54.211 54.840 -0.070 0.000 0.806 443 L CB 1.078 43.104 42.059 -0.056 0.000 1.175 443 L HN 0.596 nan 8.230 nan 0.000 0.431 444 E N 1.678 121.821 120.200 -0.095 0.000 2.259 444 E HA 0.269 4.719 4.350 0.168 0.000 0.257 444 E C -0.396 176.139 176.600 -0.108 0.000 0.998 444 E CA -0.768 55.561 56.400 -0.118 0.000 0.866 444 E CB 1.039 30.665 29.700 -0.122 0.000 1.220 444 E HN 0.489 nan 8.360 nan 0.000 0.415 445 E N -0.325 119.803 120.200 -0.121 0.000 2.586 445 E HA -0.290 4.161 4.350 0.168 0.000 0.259 445 E C 0.460 176.979 176.600 -0.134 0.000 1.107 445 E CA 0.270 56.605 56.400 -0.108 0.000 0.754 445 E CB -1.765 27.895 29.700 -0.067 0.000 1.335 445 E HN 0.990 nan 8.360 nan 0.000 0.411 446 G N 0.088 108.777 108.800 -0.184 0.000 2.166 446 G HA2 -0.425 3.636 3.960 0.168 0.000 0.260 446 G HA3 -0.425 3.636 3.960 0.168 0.000 0.260 446 G C 0.738 175.580 174.900 -0.098 0.000 0.986 446 G CA 0.889 45.882 45.100 -0.179 0.000 0.683 446 G HN 0.395 nan 8.290 nan 0.000 0.527 447 K N 0.086 120.442 120.400 -0.074 0.000 2.442 447 K HA 0.031 4.452 4.320 0.168 0.000 0.198 447 K C 2.640 179.220 176.600 -0.032 0.000 1.044 447 K CA 0.775 57.035 56.287 -0.045 0.000 0.948 447 K CB -0.279 32.198 32.500 -0.038 0.000 0.762 447 K HN 0.413 nan 8.250 nan 0.000 0.472 448 G N 1.532 110.325 108.800 -0.011 0.000 2.470 448 G HA2 -0.225 3.835 3.960 0.168 0.000 0.220 448 G HA3 -0.225 3.835 3.960 0.168 0.000 0.220 448 G C 0.900 175.821 174.900 0.035 0.000 1.121 448 G CA 0.662 45.792 45.100 0.051 0.000 0.766 448 G HN 0.232 nan 8.290 nan 0.000 0.553 449 D N 0.622 121.022 120.400 0.000 0.000 2.264 449 D HA -0.041 4.700 4.640 0.168 0.000 0.208 449 D C 2.450 178.746 176.300 -0.006 0.000 0.966 449 D CA 0.280 54.278 54.000 -0.004 0.000 0.864 449 D CB -0.111 40.673 40.800 -0.027 0.000 0.933 449 D HN 0.330 nan 8.370 nan 0.000 0.499 450 L N 0.121 121.335 121.223 -0.016 0.000 2.456 450 L HA -0.096 4.345 4.340 0.168 0.000 0.224 450 L C 0.779 177.637 176.870 -0.021 0.000 1.148 450 L CA 0.310 55.138 54.840 -0.020 0.000 0.825 450 L CB -0.447 41.598 42.059 -0.024 0.000 0.937 450 L HN -0.039 nan 8.230 nan 0.000 0.450 451 E N -0.035 120.156 120.200 -0.014 0.000 2.722 451 E HA -0.266 4.185 4.350 0.168 0.000 0.265 451 E C 1.013 177.590 176.600 -0.038 0.000 1.081 451 E CA 0.804 57.199 56.400 -0.008 0.000 0.781 451 E CB -0.937 28.763 29.700 0.001 0.000 1.372 451 E HN 0.572 nan 8.360 nan 0.000 0.423 452 E N -1.379 118.783 120.200 -0.064 0.000 2.216 452 E HA -0.066 4.385 4.350 0.168 0.000 0.192 452 E C 0.314 176.752 176.600 -0.270 0.000 0.988 452 E CA 0.702 57.012 56.400 -0.149 0.000 0.834 452 E CB 0.155 29.760 29.700 -0.157 0.000 0.772 452 E HN 0.367 nan 8.360 nan 0.000 0.479 453 Y N -0.065 120.113 120.300 -0.203 0.000 2.593 453 Y HA 0.412 5.062 4.550 0.168 0.000 0.330 453 Y C 1.331 177.187 175.900 -0.072 0.000 1.223 453 Y CA -0.546 57.443 58.100 -0.185 0.000 1.350 453 Y CB 0.332 38.562 38.460 -0.383 0.000 1.499 453 Y HN -0.157 nan 8.280 nan 0.000 0.554 454 G N -0.562 108.380 108.800 0.238 0.000 2.580 454 G HA2 0.096 4.157 3.960 0.168 0.000 0.225 454 G HA3 0.096 4.157 3.960 0.168 0.000 0.225 454 G C -0.760 174.308 174.900 0.280 0.000 1.521 454 G CA -0.557 44.662 45.100 0.198 0.000 1.068 454 G HN 0.536 nan 8.290 nan 0.000 0.564 455 Q N -0.216 119.697 119.800 0.188 0.000 2.352 455 Q HA 0.115 4.556 4.340 0.168 0.000 0.260 455 Q C -0.588 175.434 176.000 0.037 0.000 0.976 455 Q CA -0.494 55.383 55.803 0.123 0.000 0.881 455 Q CB 0.674 29.455 28.738 0.071 0.000 1.235 455 Q HN 0.445 nan 8.270 nan 0.000 0.419 456 D N 2.858 123.205 120.400 -0.089 0.000 2.487 456 D HA -0.060 4.681 4.640 0.168 0.000 0.243 456 D C 0.508 176.614 176.300 -0.323 0.000 1.154 456 D CA 0.497 54.278 54.000 -0.365 0.000 0.876 456 D CB 0.705 41.363 40.800 -0.237 0.000 1.161 456 D HN 0.579 nan 8.370 nan 0.000 0.478 457 L N 3.042 124.079 121.223 -0.311 0.000 2.492 457 L HA 0.021 4.462 4.340 0.168 0.000 0.223 457 L C 0.537 177.201 176.870 -0.343 0.000 1.132 457 L CA -0.164 54.541 54.840 -0.225 0.000 0.850 457 L CB -0.118 41.945 42.059 0.006 0.000 0.966 457 L HN 0.289 nan 8.230 nan 0.000 0.454 458 L N 0.784 121.818 121.223 -0.316 0.000 2.361 458 L HA 0.157 4.598 4.340 0.168 0.000 0.278 458 L C 0.193 176.887 176.870 -0.293 0.000 1.113 458 L CA 0.452 55.158 54.840 -0.223 0.000 0.849 458 L CB -0.071 41.913 42.059 -0.124 0.000 1.155 458 L HN 0.033 nan 8.230 nan 0.000 0.452 459 H N 1.670 120.743 119.070 0.006 0.000 2.472 459 H HA 0.284 4.940 4.556 0.168 0.000 0.338 459 H C -0.240 175.127 175.328 0.066 0.000 1.133 459 H CA -0.728 55.345 56.048 0.042 0.000 1.216 459 H CB 1.361 31.164 29.762 0.069 0.000 1.497 459 H HN 0.414 nan 8.280 nan 0.000 0.500 460 T N 2.670 117.328 114.554 0.174 0.000 2.793 460 T HA 0.046 4.497 4.350 0.168 0.000 0.289 460 T C 1.655 176.439 174.700 0.141 0.000 0.956 460 T CA -0.078 62.104 62.100 0.136 0.000 1.177 460 T CB -0.041 68.884 68.868 0.094 0.000 0.897 460 T HN 0.531 nan 8.240 nan 0.000 0.533 461 V N 1.375 121.388 119.914 0.164 0.000 3.621 461 V HA 0.546 4.767 4.120 0.168 0.000 0.263 461 V C 0.036 176.247 176.094 0.197 0.000 1.272 461 V CA -0.046 62.352 62.300 0.164 0.000 1.080 461 V CB -0.300 31.643 31.823 0.200 0.000 0.816 461 V HN 0.634 nan 8.190 nan 0.000 0.451 462 F N 1.161 121.127 119.950 0.028 0.000 2.574 462 F HA 0.750 5.378 4.527 0.168 0.000 0.313 462 F C -0.751 175.060 175.800 0.018 0.000 1.130 462 F CA -0.807 57.201 58.000 0.014 0.000 0.936 462 F CB 1.781 40.783 39.000 0.003 0.000 1.219 462 F HN -0.057 nan 8.300 nan 0.000 0.445 463 K N 4.821 124.962 120.400 -0.431 0.000 2.588 463 K HA 0.294 4.714 4.320 0.168 0.000 0.250 463 K C -0.854 175.493 176.600 -0.422 0.000 0.972 463 K CA -0.594 55.536 56.287 -0.260 0.000 0.821 463 K CB 1.009 33.446 32.500 -0.105 0.000 1.249 463 K HN 0.745 nan 8.250 nan 0.000 0.442 464 N N 2.635 121.167 118.700 -0.279 0.000 2.705 464 N HA -0.220 4.621 4.740 0.168 0.000 0.255 464 N C 0.470 175.860 175.510 -0.200 0.000 1.008 464 N CA 1.745 54.669 53.050 -0.211 0.000 0.742 464 N CB -1.188 37.200 38.487 -0.165 0.000 0.906 464 N HN 1.107 nan 8.380 nan 0.000 0.541 465 G N -1.883 106.688 108.800 -0.382 0.000 2.176 465 G HA2 -0.324 3.737 3.960 0.168 0.000 0.253 465 G HA3 -0.324 3.737 3.960 0.168 0.000 0.253 465 G C -0.119 174.616 174.900 -0.275 0.000 0.979 465 G CA 0.658 45.680 45.100 -0.129 0.000 0.641 465 G HN 0.410 nan 8.290 nan 0.000 0.530 466 K N 0.476 120.530 120.400 -0.576 0.000 2.270 466 K HA 0.598 5.019 4.320 0.168 0.000 0.255 466 K C -0.002 176.351 176.600 -0.411 0.000 0.936 466 K CA -0.770 55.314 56.287 -0.338 0.000 0.809 466 K CB 2.682 35.066 32.500 -0.194 0.000 1.131 466 K HN 0.070 nan 8.250 nan 0.000 0.427 467 V N 3.212 123.039 119.914 -0.145 0.000 2.439 467 V HA 0.007 4.228 4.120 0.168 0.000 0.271 467 V C 1.551 177.612 176.094 -0.055 0.000 1.040 467 V CA 0.269 62.554 62.300 -0.024 0.000 1.002 467 V CB 0.458 32.304 31.823 0.039 0.000 1.000 467 V HN 0.944 nan 8.190 nan 0.000 0.477 468 T N 1.177 115.706 114.554 -0.042 0.000 3.037 468 T HA 0.214 4.665 4.350 0.168 0.000 0.251 468 T C 0.467 175.136 174.700 -0.052 0.000 1.079 468 T CA -0.113 61.958 62.100 -0.049 0.000 1.067 468 T CB 0.252 69.097 68.868 -0.038 0.000 0.948 468 T HN 0.414 nan 8.240 nan 0.000 0.496 469 K N 0.870 121.239 120.400 -0.052 0.000 2.553 469 K HA 0.626 5.047 4.320 0.168 0.000 0.250 469 K C -1.663 174.824 176.600 -0.188 0.000 0.953 469 K CA -0.327 55.873 56.287 -0.146 0.000 0.800 469 K CB 2.258 34.679 32.500 -0.132 0.000 1.243 469 K HN 0.042 nan 8.250 nan 0.000 0.435 470 S N 2.445 117.960 115.700 -0.307 0.000 2.600 470 S HA 0.646 5.217 4.470 0.168 0.000 0.300 470 S C -1.530 172.811 174.600 -0.432 0.000 1.087 470 S CA -0.594 57.472 58.200 -0.224 0.000 0.965 470 S CB 0.651 63.795 63.200 -0.092 0.000 1.089 470 S HN 0.440 nan 8.310 nan 0.000 0.496 471 Y N 0.909 121.288 120.300 0.132 0.000 2.425 471 Y HA 0.477 5.128 4.550 0.169 0.000 0.344 471 Y C 0.695 176.754 175.900 0.264 0.000 0.969 471 Y CA -0.890 57.313 58.100 0.172 0.000 1.052 471 Y CB 1.546 40.120 38.460 0.189 0.000 1.215 471 Y HN 0.708 nan 8.280 nan 0.000 0.451 472 S N 1.360 117.263 115.700 0.338 0.000 2.614 472 S HA 0.148 4.718 4.470 0.168 0.000 0.265 472 S C 0.616 175.428 174.600 0.354 0.000 1.303 472 S CA -0.476 57.920 58.200 0.326 0.000 1.000 472 S CB 0.516 63.839 63.200 0.204 0.000 0.935 472 S HN 0.666 nan 8.310 nan 0.000 0.551 473 F N 1.133 121.192 119.950 0.183 0.000 2.293 473 F HA -0.030 4.597 4.527 0.166 0.000 0.300 473 F C 1.739 177.532 175.800 -0.011 0.000 1.086 473 F CA 1.438 59.456 58.000 0.030 0.000 1.375 473 F CB -0.360 38.635 39.000 -0.009 0.000 1.045 473 F HN 0.630 nan 8.300 nan 0.000 0.516 474 D N 0.209 120.674 120.400 0.109 0.000 2.117 474 D HA -0.177 4.564 4.640 0.168 0.000 0.197 474 D C 2.075 178.358 176.300 -0.028 0.000 0.987 474 D CA 1.511 55.525 54.000 0.023 0.000 0.829 474 D CB -0.377 40.465 40.800 0.069 0.000 0.961 474 D HN 0.454 nan 8.370 nan 0.000 0.460 475 E N 0.438 120.659 120.200 0.035 0.000 2.077 475 E HA -0.109 4.341 4.350 0.168 0.000 0.193 475 E C 2.426 179.009 176.600 -0.028 0.000 0.989 475 E CA 0.445 56.878 56.400 0.056 0.000 0.800 475 E CB -0.055 29.755 29.700 0.184 0.000 0.746 475 E HN 0.297 nan 8.360 nan 0.000 0.452 476 I N 0.972 121.474 120.570 -0.113 0.000 2.163 476 I HA -0.300 3.971 4.170 0.168 0.000 0.243 476 I C 2.580 178.479 176.117 -0.362 0.000 1.085 476 I CA 1.249 62.395 61.300 -0.257 0.000 1.347 476 I CB -0.249 37.494 38.000 -0.427 0.000 1.044 476 I HN 0.030 nan 8.210 nan 0.000 0.408 477 R N 0.565 120.783 120.500 -0.470 0.000 2.091 477 R HA -0.212 4.229 4.340 0.168 0.000 0.238 477 R C 2.372 178.528 176.300 -0.240 0.000 1.136 477 R CA 1.442 57.300 56.100 -0.403 0.000 0.959 477 R CB -0.303 29.775 30.300 -0.370 0.000 0.856 477 R HN 0.319 nan 8.270 nan 0.000 0.437 478 K N 0.549 120.853 120.400 -0.160 0.000 2.026 478 K HA -0.128 4.293 4.320 0.168 0.000 0.208 478 K C 1.612 178.151 176.600 -0.102 0.000 1.048 478 K CA 1.459 57.684 56.287 -0.102 0.000 0.929 478 K CB 0.026 32.497 32.500 -0.048 0.000 0.713 478 K HN 0.097 nan 8.250 nan 0.000 0.439 479 N N 0.574 119.224 118.700 -0.084 0.000 2.223 479 N HA -0.133 4.708 4.740 0.168 0.000 0.185 479 N C 1.261 176.691 175.510 -0.133 0.000 1.016 479 N CA 1.301 54.300 53.050 -0.085 0.000 0.863 479 N CB -0.143 38.382 38.487 0.063 0.000 0.983 479 N HN 0.264 nan 8.380 nan 0.000 0.429 480 A N 0.474 123.204 122.820 -0.151 0.000 2.275 480 A HA 0.080 4.500 4.320 0.168 0.000 0.212 480 A C 0.807 178.289 177.584 -0.169 0.000 1.201 480 A CA -0.208 51.732 52.037 -0.162 0.000 0.843 480 A CB -0.081 18.792 19.000 -0.211 0.000 0.873 480 A HN 0.233 nan 8.150 nan 0.000 0.492 481 Q N 0.009 119.712 119.800 -0.162 0.000 2.414 481 Q HA 0.184 4.625 4.340 0.168 0.000 0.288 481 Q C -0.374 175.549 176.000 -0.128 0.000 1.086 481 Q CA 0.247 55.958 55.803 -0.153 0.000 0.943 481 Q CB 0.451 29.113 28.738 -0.127 0.000 1.282 481 Q HN 0.515 nan 8.270 nan 0.000 0.438 482 L N 2.054 123.201 121.223 -0.127 0.000 2.464 482 L HA 0.106 4.547 4.340 0.168 0.000 0.264 482 L C 0.653 177.478 176.870 -0.076 0.000 1.199 482 L CA -0.660 54.122 54.840 -0.096 0.000 0.818 482 L CB 0.166 42.167 42.059 -0.097 0.000 1.102 482 L HN 0.640 nan 8.230 nan 0.000 0.473 483 N N 0.000 118.665 118.700 -0.059 0.000 1.763 483 N HA 0.000 4.841 4.740 0.168 0.000 0.220 483 N CA 0.000 53.021 53.050 -0.048 0.000 0.885 483 N CB 0.000 38.465 38.487 -0.036 0.000 1.341 483 N HN 0.000 nan 8.380 nan 0.000 0.667