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 1kim_1_A DATA FIRST_RESID 46 DATA SEQUENCE MPTLLRVYID GPHGMGKTTT TQLLVXXXXX XDIVYVPEPM TYWRVLGASE DATA SEQUENCE TIANIYTTQH RLDQGEISAG DAAVVMTSAQ ITMGMPYAVT DAVLAPHIGG DATA SEQUENCE EAGXXXXXPP ALTLIFDRHP IAALLCYPAA RYLMGSMTPQ AVLAFVALIP DATA SEQUENCE PTLPGTNIVL GALPEDRHID RLAKRQRPGE RLDLAMLAAI RRVYGLLANT DATA SEQUENCE VRYLQCGGSW REDWGQLSGX XXXXXXXXXX XXXXPRPHIG DTLFTLFRAP DATA SEQUENCE ELLAPNGDLY NVFAWALDVL AKRLRSMHVF ILDYDQSPAG CRDALLQLTS DATA SEQUENCE GMVQTHVTTP GSIPTICDLA RTFAREMGEA 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 46 M HA 0.000 nan 4.480 nan 0.000 0.227 46 M C 0.000 176.423 176.300 0.206 0.000 1.140 46 M CA 0.000 55.379 55.300 0.132 0.000 0.988 46 M CB 0.000 32.672 32.600 0.121 0.000 1.302 47 P HA 0.448 nan 4.420 nan 0.000 0.271 47 P C -0.014 177.301 177.300 0.025 0.000 1.233 47 P CA 0.773 63.913 63.100 0.067 0.000 0.795 47 P CB 0.282 32.004 31.700 0.037 0.000 0.936 48 T N -1.896 112.623 114.554 -0.058 0.000 2.940 48 T HA 0.651 5.001 4.350 -0.000 0.000 0.288 48 T C -0.511 174.144 174.700 -0.075 0.000 1.033 48 T CA -0.835 61.178 62.100 -0.144 0.000 1.033 48 T CB 1.335 70.056 68.868 -0.246 0.000 1.079 48 T HN 0.377 nan 8.240 nan 0.000 0.496 49 L N 1.490 122.674 121.223 -0.066 0.000 2.401 49 L HA 0.725 5.065 4.340 -0.000 0.000 0.266 49 L C -1.592 175.265 176.870 -0.021 0.000 0.991 49 L CA -1.097 53.726 54.840 -0.029 0.000 0.818 49 L CB 2.026 44.088 42.059 0.006 0.000 1.321 49 L HN 0.845 nan 8.230 nan 0.000 0.413 50 L N 5.081 126.292 121.223 -0.020 0.000 2.319 50 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 50 L C -0.911 175.966 176.870 0.012 0.000 1.005 50 L CA -0.541 54.293 54.840 -0.010 0.000 0.828 50 L CB 1.179 43.213 42.059 -0.041 0.000 1.227 50 L HN 0.789 nan 8.230 nan 0.000 0.415 51 R N 3.708 124.251 120.500 0.072 0.000 2.346 51 R HA 0.655 4.995 4.340 -0.000 0.000 0.311 51 R C -1.239 175.118 176.300 0.094 0.000 0.983 51 R CA -0.599 55.565 56.100 0.106 0.000 0.880 51 R CB 2.294 32.723 30.300 0.215 0.000 1.100 51 R HN 0.392 nan 8.270 nan 0.000 0.453 52 V N 4.518 124.453 119.914 0.036 0.000 2.482 52 V HA 0.273 4.393 4.120 -0.000 0.000 0.295 52 V C -1.292 174.864 176.094 0.103 0.000 1.026 52 V CA -0.938 61.416 62.300 0.090 0.000 0.856 52 V CB 1.273 33.114 31.823 0.030 0.000 1.001 52 V HN 0.631 nan 8.190 nan 0.000 0.424 53 Y N 4.774 125.204 120.300 0.216 0.000 2.434 53 Y HA 0.573 5.123 4.550 -0.000 0.000 0.341 53 Y C 0.168 176.172 175.900 0.173 0.000 0.965 53 Y CA -0.979 57.241 58.100 0.200 0.000 1.205 53 Y CB 0.964 39.484 38.460 0.100 0.000 1.121 53 Y HN 0.479 nan 8.280 nan 0.000 0.507 54 I N 4.409 125.150 120.570 0.285 0.000 2.379 54 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 54 I C 0.132 176.381 176.117 0.220 0.000 1.063 54 I CA 0.635 62.080 61.300 0.242 0.000 1.351 54 I CB 0.104 38.244 38.000 0.234 0.000 1.410 54 I HN 0.585 nan 8.210 nan 0.000 0.505 55 D N 3.638 124.148 120.400 0.183 0.000 2.592 55 D HA 0.834 5.474 4.640 -0.000 0.000 0.263 55 D C -0.284 175.960 176.300 -0.093 0.000 1.132 55 D CA -0.044 54.025 54.000 0.116 0.000 0.996 55 D CB 2.518 43.449 40.800 0.217 0.000 1.442 55 D HN 0.634 nan 8.370 nan 0.000 0.486 56 G N 0.247 108.740 108.800 -0.512 0.000 2.346 56 G HA2 0.112 4.072 3.960 -0.000 0.000 0.294 56 G HA3 0.112 4.072 3.960 -0.000 0.000 0.294 56 G C -3.053 171.297 174.900 -0.916 0.000 1.294 56 G CA -0.947 43.464 45.100 -1.148 0.000 0.962 56 G HN 0.369 nan 8.290 nan 0.000 0.508 57 P HA 0.316 nan 4.420 nan 0.000 0.270 57 P C -0.123 177.213 177.300 0.060 0.000 1.223 57 P CA 0.052 63.108 63.100 -0.074 0.000 0.785 57 P CB 0.068 31.804 31.700 0.060 0.000 0.923 58 H N -0.979 118.228 119.070 0.228 0.000 2.547 58 H HA 0.527 5.083 4.556 -0.000 0.000 0.362 58 H C 1.180 176.662 175.328 0.256 0.000 1.181 58 H CA -0.410 55.764 56.048 0.209 0.000 1.376 58 H CB -0.065 29.862 29.762 0.275 0.000 1.488 58 H HN 0.727 nan 8.280 nan 0.000 0.583 59 G N 1.094 110.008 108.800 0.191 0.000 2.141 59 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 59 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 59 G C 0.609 175.497 174.900 -0.021 0.000 0.982 59 G CA 0.434 45.627 45.100 0.155 0.000 0.662 59 G HN 0.622 nan 8.290 nan 0.000 0.527 60 M N -0.301 119.129 119.600 -0.284 0.000 2.414 60 M HA 0.344 4.824 4.480 -0.000 0.000 0.251 60 M C 1.871 177.877 176.300 -0.490 0.000 1.116 60 M CA 1.204 56.164 55.300 -0.567 0.000 1.056 60 M CB 0.600 32.675 32.600 -0.875 0.000 1.388 60 M HN 1.206 nan 8.290 nan 0.000 0.487 61 G N 1.226 109.850 108.800 -0.294 0.000 2.138 61 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.193 61 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.193 61 G C 0.711 175.551 174.900 -0.101 0.000 0.998 61 G CA 0.260 45.278 45.100 -0.138 0.000 0.668 61 G HN 0.377 nan 8.290 nan 0.000 0.516 62 K N 0.109 120.390 120.400 -0.198 0.000 1.991 62 K HA -0.143 4.177 4.320 -0.000 0.000 0.212 62 K C 2.960 179.627 176.600 0.112 0.000 1.049 62 K CA 2.356 58.642 56.287 -0.002 0.000 0.932 62 K CB -0.558 31.940 32.500 -0.004 0.000 0.717 62 K HN 0.613 nan 8.250 nan 0.000 0.441 63 T N -0.589 114.035 114.554 0.116 0.000 2.665 63 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 63 T C 2.134 176.871 174.700 0.061 0.000 1.035 63 T CA 2.130 64.325 62.100 0.157 0.000 1.151 63 T CB -1.032 67.942 68.868 0.177 0.000 0.862 63 T HN 0.105 nan 8.240 nan 0.000 0.438 64 T N 2.008 116.591 114.554 0.048 0.000 2.635 64 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 64 T C 2.368 177.066 174.700 -0.003 0.000 1.040 64 T CA 2.391 64.501 62.100 0.017 0.000 1.156 64 T CB -1.137 67.748 68.868 0.029 0.000 0.863 64 T HN 0.806 nan 8.240 nan 0.000 0.430 65 T N 1.277 115.861 114.554 0.050 0.000 2.915 65 T HA -0.127 4.223 4.350 -0.000 0.000 0.269 65 T C 2.176 176.858 174.700 -0.030 0.000 1.071 65 T CA 1.962 64.087 62.100 0.041 0.000 1.132 65 T CB -0.786 68.158 68.868 0.127 0.000 0.878 65 T HN 0.583 nan 8.240 nan 0.000 0.479 66 T N -0.226 114.295 114.554 -0.055 0.000 2.904 66 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 66 T C 2.054 176.493 174.700 -0.435 0.000 1.059 66 T CA 0.924 62.916 62.100 -0.180 0.000 1.137 66 T CB -0.505 68.313 68.868 -0.084 0.000 0.879 66 T HN 0.547 nan 8.240 nan 0.000 0.467 67 Q N 0.604 120.130 119.800 -0.457 0.000 2.224 67 Q HA 0.188 4.528 4.340 -0.000 0.000 0.203 67 Q C 2.160 178.016 176.000 -0.240 0.000 0.970 67 Q CA 0.770 56.300 55.803 -0.454 0.000 0.865 67 Q CB -0.361 28.212 28.738 -0.275 0.000 0.922 67 Q HN 0.516 nan 8.270 nan 0.000 0.445 68 L N 0.335 121.460 121.223 -0.164 0.000 2.552 68 L HA -0.064 4.276 4.340 -0.000 0.000 0.227 68 L C 1.789 178.598 176.870 -0.102 0.000 1.146 68 L CA 0.327 55.105 54.840 -0.103 0.000 0.858 68 L CB -0.067 41.953 42.059 -0.066 0.000 0.969 68 L HN 0.267 nan 8.230 nan 0.000 0.451 69 L N -0.349 120.793 121.223 -0.134 0.000 2.341 69 L HA 0.161 4.501 4.340 -0.000 0.000 0.214 69 L C 0.567 177.379 176.870 -0.097 0.000 1.115 69 L CA 0.392 55.167 54.840 -0.107 0.000 0.820 69 L CB 0.179 42.173 42.059 -0.109 0.000 0.944 69 L HN 0.195 nan 8.230 nan 0.000 0.452 78 I N 0.738 121.277 120.570 -0.052 0.000 2.667 78 I HA 0.524 4.694 4.170 -0.000 0.000 0.288 78 I C -1.832 174.250 176.117 -0.059 0.000 1.267 78 I CA -0.678 60.585 61.300 -0.061 0.000 1.055 78 I CB 1.824 39.791 38.000 -0.055 0.000 1.294 78 I HN -0.141 nan 8.210 nan 0.000 0.429 79 V N 6.612 126.472 119.914 -0.089 0.000 2.815 79 V HA 0.460 4.580 4.120 -0.000 0.000 0.314 79 V C -1.263 174.776 176.094 -0.092 0.000 1.064 79 V CA -0.771 61.473 62.300 -0.093 0.000 0.952 79 V CB 1.890 33.623 31.823 -0.151 0.000 1.020 79 V HN 0.615 nan 8.190 nan 0.000 0.439 80 Y N 2.366 122.545 120.300 -0.202 0.000 2.338 80 Y HA 0.633 5.183 4.550 -0.000 0.000 0.328 80 Y C -0.484 175.274 175.900 -0.237 0.000 0.965 80 Y CA -1.079 56.893 58.100 -0.213 0.000 1.208 80 Y CB 1.676 40.066 38.460 -0.117 0.000 1.132 80 Y HN 0.379 nan 8.280 nan 0.000 0.469 81 V N 9.945 129.372 119.914 -0.812 0.000 2.322 81 V HA 0.261 4.381 4.120 -0.000 0.000 0.258 81 V C -1.871 173.686 176.094 -0.894 0.000 1.074 81 V CA -1.555 60.248 62.300 -0.828 0.000 0.909 81 V CB -0.012 31.188 31.823 -1.040 0.000 1.090 81 V HN 0.665 nan 8.190 nan 0.000 0.486 82 P HA 0.086 nan 4.420 nan 0.000 0.275 82 P C -0.140 177.122 177.300 -0.064 0.000 1.270 82 P CA -0.408 62.395 63.100 -0.494 0.000 0.791 82 P CB 1.081 32.690 31.700 -0.150 0.000 1.089 83 E N 1.058 121.261 120.200 0.004 0.000 2.344 83 E HA 0.089 4.439 4.350 -0.000 0.000 0.270 83 E C -1.555 174.908 176.600 -0.228 0.000 1.021 83 E CA -1.968 54.425 56.400 -0.011 0.000 0.887 83 E CB 0.156 29.888 29.700 0.052 0.000 0.997 83 E HN 0.261 nan 8.360 nan 0.000 0.429 84 P HA -0.039 nan 4.420 nan 0.000 0.238 84 P C 0.304 176.991 177.300 -1.022 0.000 1.714 84 P CA 0.093 62.758 63.100 -0.726 0.000 0.908 84 P CB 0.088 31.362 31.700 -0.710 0.000 1.893 85 M N 1.142 120.363 119.600 -0.631 0.000 2.149 85 M HA -0.122 4.358 4.480 -0.000 0.000 0.261 85 M C 1.583 177.803 176.300 -0.132 0.000 1.064 85 M CA 2.126 57.255 55.300 -0.285 0.000 1.102 85 M CB -1.204 31.366 32.600 -0.049 0.000 1.369 85 M HN -0.058 nan 8.290 nan 0.000 0.408 86 T N -1.018 113.437 114.554 -0.164 0.000 2.867 86 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 86 T C 1.466 176.108 174.700 -0.097 0.000 1.057 86 T CA 1.498 63.537 62.100 -0.102 0.000 1.136 86 T CB -0.546 68.258 68.868 -0.107 0.000 0.874 86 T HN 0.510 nan 8.240 nan 0.000 0.466 87 Y N 0.415 120.564 120.300 -0.251 0.000 2.163 87 Y HA -0.131 4.419 4.550 0.000 0.000 0.288 87 Y C 2.047 177.960 175.900 0.022 0.000 1.136 87 Y CA 1.151 59.145 58.100 -0.177 0.000 1.147 87 Y CB -0.201 38.081 38.460 -0.297 0.000 0.987 87 Y HN 0.178 nan 8.280 nan 0.000 0.509 88 W N 0.645 121.962 121.300 0.029 0.000 2.355 88 W HA -0.132 4.528 4.660 -0.000 0.000 0.309 88 W C 2.432 178.904 176.519 -0.079 0.000 1.206 88 W CA 1.278 58.614 57.345 -0.015 0.000 1.284 88 W CB -1.081 28.386 29.460 0.011 0.000 1.145 88 W HN 0.075 nan 8.180 nan 0.000 0.502 89 R N -0.718 119.887 120.500 0.174 0.000 2.093 89 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 89 R C 1.783 178.076 176.300 -0.012 0.000 1.101 89 R CA 1.440 57.581 56.100 0.068 0.000 0.979 89 R CB -0.464 29.873 30.300 0.062 0.000 0.877 89 R HN 0.152 nan 8.270 nan 0.000 0.441 90 V N 0.015 119.890 119.914 -0.065 0.000 3.054 90 V HA -0.008 4.112 4.120 -0.000 0.000 0.227 90 V C 2.134 178.119 176.094 -0.182 0.000 1.252 90 V CA 0.197 62.437 62.300 -0.100 0.000 1.279 90 V CB -0.312 31.465 31.823 -0.077 0.000 1.118 90 V HN 0.051 nan 8.190 nan 0.000 0.504 91 L N 1.139 122.199 121.223 -0.270 0.000 2.012 91 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 91 L C 2.425 178.933 176.870 -0.604 0.000 1.073 91 L CA 2.279 56.887 54.840 -0.386 0.000 0.748 91 L CB -1.033 40.832 42.059 -0.323 0.000 0.891 91 L HN 0.534 nan 8.230 nan 0.000 0.431 92 G N -1.301 106.856 108.800 -1.071 0.000 2.545 92 G HA2 0.444 4.404 3.960 -0.000 0.000 0.212 92 G HA3 0.444 4.404 3.960 -0.000 0.000 0.212 92 G C 0.369 175.095 174.900 -0.290 0.000 1.144 92 G CA 0.710 45.332 45.100 -0.797 0.000 0.813 92 G HN 0.483 nan 8.290 nan 0.000 0.531 93 A N -1.039 121.639 122.820 -0.238 0.000 2.540 93 A HA 0.662 4.982 4.320 -0.000 0.000 0.291 93 A C -0.839 176.696 177.584 -0.081 0.000 1.083 93 A CA -0.106 51.868 52.037 -0.105 0.000 0.650 93 A CB 0.533 19.503 19.000 -0.051 0.000 1.292 93 A HN 0.505 nan 8.150 nan 0.000 0.435 94 S N 1.000 116.673 115.700 -0.045 0.000 2.452 94 S HA 0.469 4.939 4.470 -0.000 0.000 0.284 94 S C -0.259 174.338 174.600 -0.005 0.000 1.171 94 S CA 0.077 58.261 58.200 -0.027 0.000 1.064 94 S CB -0.183 63.004 63.200 -0.022 0.000 0.967 94 S HN 0.745 nan 8.310 nan 0.000 0.484 95 E N 3.068 123.274 120.200 0.011 0.000 2.210 95 E HA -0.156 4.194 4.350 -0.000 0.000 0.201 95 E C 0.851 177.466 176.600 0.025 0.000 1.339 95 E CA 0.974 57.391 56.400 0.029 0.000 0.699 95 E CB -2.424 27.288 29.700 0.020 0.000 1.126 95 E HN 0.796 nan 8.360 nan 0.000 0.355 96 T N -0.091 114.478 114.554 0.025 0.000 2.720 96 T HA -0.121 4.229 4.350 -0.000 0.000 0.268 96 T C 2.039 176.711 174.700 -0.046 0.000 1.037 96 T CA 1.362 63.448 62.100 -0.023 0.000 1.144 96 T CB -0.009 68.826 68.868 -0.054 0.000 0.864 96 T HN 0.378 nan 8.240 nan 0.000 0.444 97 I N 1.235 121.786 120.570 -0.031 0.000 2.264 97 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 97 I C 2.886 179.092 176.117 0.148 0.000 1.111 97 I CA 1.118 62.429 61.300 0.019 0.000 1.382 97 I CB -0.438 37.575 38.000 0.022 0.000 1.060 97 I HN 0.222 nan 8.210 nan 0.000 0.418 98 A N 0.680 123.550 122.820 0.084 0.000 1.898 98 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 98 A C 2.058 179.695 177.584 0.088 0.000 1.181 98 A CA 2.035 54.123 52.037 0.086 0.000 0.620 98 A CB -0.737 18.287 19.000 0.039 0.000 0.819 98 A HN 0.435 nan 8.150 nan 0.000 0.442 99 N N 0.350 119.079 118.700 0.048 0.000 2.104 99 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 99 N C 1.479 177.001 175.510 0.020 0.000 1.024 99 N CA 1.923 54.990 53.050 0.028 0.000 0.853 99 N CB -0.388 38.103 38.487 0.006 0.000 1.008 99 N HN 0.542 nan 8.380 nan 0.000 0.424 100 I N -0.759 119.809 120.570 -0.003 0.000 2.113 100 I HA -0.306 3.864 4.170 -0.000 0.000 0.238 100 I C 1.581 177.630 176.117 -0.113 0.000 1.070 100 I CA 1.212 62.456 61.300 -0.092 0.000 1.332 100 I CB -0.488 37.392 38.000 -0.199 0.000 1.044 100 I HN 0.161 nan 8.210 nan 0.000 0.402 101 Y N 0.887 121.181 120.300 -0.010 0.000 2.274 101 Y HA -0.233 4.317 4.550 -0.000 0.000 0.290 101 Y C 2.853 178.780 175.900 0.046 0.000 1.145 101 Y CA 1.708 59.818 58.100 0.017 0.000 1.203 101 Y CB -0.909 37.551 38.460 -0.000 0.000 0.984 101 Y HN 0.149 nan 8.280 nan 0.000 0.533 102 T N -1.160 113.492 114.554 0.163 0.000 2.777 102 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 102 T C 1.894 176.669 174.700 0.125 0.000 1.040 102 T CA 1.857 64.036 62.100 0.132 0.000 1.141 102 T CB -0.461 68.456 68.868 0.083 0.000 0.868 102 T HN 0.365 nan 8.240 nan 0.000 0.444 103 T N 1.789 116.384 114.554 0.068 0.000 2.674 103 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 103 T C 2.084 176.805 174.700 0.035 0.000 1.039 103 T CA 1.386 63.510 62.100 0.039 0.000 1.150 103 T CB -0.383 68.492 68.868 0.011 0.000 0.864 103 T HN 0.262 nan 8.240 nan 0.000 0.427 104 Q N 0.570 120.382 119.800 0.020 0.000 2.112 104 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 104 Q C 1.974 178.000 176.000 0.044 0.000 0.987 104 Q CA 2.004 57.812 55.803 0.008 0.000 0.858 104 Q CB -0.504 28.220 28.738 -0.023 0.000 0.905 104 Q HN 0.740 nan 8.270 nan 0.000 0.420 105 H N -0.342 118.740 119.070 0.019 0.000 2.321 105 H HA 0.004 4.560 4.556 -0.000 0.000 0.300 105 H C 1.772 177.109 175.328 0.015 0.000 1.087 105 H CA 2.073 58.138 56.048 0.028 0.000 1.319 105 H CB 0.148 29.938 29.762 0.047 0.000 1.379 105 H HN 0.213 nan 8.280 nan 0.000 0.501 106 R N -0.083 120.427 120.500 0.017 0.000 2.096 106 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 106 R C 2.476 178.736 176.300 -0.067 0.000 1.127 106 R CA 1.136 57.217 56.100 -0.031 0.000 0.968 106 R CB -0.352 29.964 30.300 0.027 0.000 0.861 106 R HN 0.367 nan 8.270 nan 0.000 0.440 107 L N 1.295 122.489 121.223 -0.049 0.000 1.976 107 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 107 L C 1.397 178.220 176.870 -0.078 0.000 1.071 107 L CA 1.837 56.647 54.840 -0.049 0.000 0.746 107 L CB -0.471 41.567 42.059 -0.036 0.000 0.890 107 L HN 0.186 nan 8.230 nan 0.000 0.432 108 D N -0.276 120.062 120.400 -0.104 0.000 2.149 108 D HA -0.234 4.406 4.640 -0.000 0.000 0.194 108 D C 2.120 178.333 176.300 -0.146 0.000 1.001 108 D CA 1.187 55.114 54.000 -0.122 0.000 0.849 108 D CB -0.164 40.554 40.800 -0.137 0.000 0.939 108 D HN 0.402 nan 8.370 nan 0.000 0.449 109 Q N -0.624 119.049 119.800 -0.212 0.000 2.444 109 Q HA 0.135 4.475 4.340 -0.000 0.000 0.206 109 Q C 1.359 177.303 176.000 -0.094 0.000 0.948 109 Q CA 0.722 56.422 55.803 -0.172 0.000 0.946 109 Q CB 0.390 28.991 28.738 -0.229 0.000 1.027 109 Q HN 0.401 nan 8.270 nan 0.000 0.513 110 G N 1.299 110.052 108.800 -0.079 0.000 2.153 110 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.252 110 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.252 110 G C 0.677 175.556 174.900 -0.036 0.000 0.994 110 G CA 0.688 45.758 45.100 -0.049 0.000 0.698 110 G HN 0.448 nan 8.290 nan 0.000 0.521 111 E N -0.599 119.578 120.200 -0.039 0.000 2.285 111 E HA 0.209 4.559 4.350 -0.000 0.000 0.194 111 E C 1.548 178.141 176.600 -0.012 0.000 0.997 111 E CA 1.112 57.500 56.400 -0.020 0.000 0.845 111 E CB 0.099 29.792 29.700 -0.012 0.000 0.782 111 E HN 0.906 nan 8.360 nan 0.000 0.491 112 I N -3.059 117.502 120.570 -0.015 0.000 3.174 112 I HA 0.424 4.594 4.170 -0.000 0.000 0.313 112 I C -0.111 175.998 176.117 -0.012 0.000 1.155 112 I CA -1.315 59.980 61.300 -0.009 0.000 0.977 112 I CB 2.020 40.019 38.000 -0.002 0.000 1.248 112 I HN -0.243 nan 8.210 nan 0.000 0.453 113 S N 1.730 117.425 115.700 -0.008 0.000 2.693 113 S HA 0.651 5.121 4.470 -0.000 0.000 0.276 113 S C 1.084 175.680 174.600 -0.007 0.000 1.192 113 S CA -0.134 58.061 58.200 -0.008 0.000 0.994 113 S CB 1.615 64.813 63.200 -0.004 0.000 1.012 113 S HN 1.009 nan 8.310 nan 0.000 0.550 114 A N 1.182 123.997 122.820 -0.008 0.000 1.940 114 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 114 A C 2.112 179.699 177.584 0.004 0.000 1.176 114 A CA 1.762 53.796 52.037 -0.006 0.000 0.631 114 A CB -1.761 17.234 19.000 -0.007 0.000 0.814 114 A HN 1.148 nan 8.150 nan 0.000 0.446 115 G N -0.506 108.297 108.800 0.006 0.000 2.422 115 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 115 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 115 G C 1.142 176.047 174.900 0.010 0.000 1.140 115 G CA 1.076 46.182 45.100 0.010 0.000 0.775 115 G HN 0.474 nan 8.290 nan 0.000 0.545 116 D N 1.167 121.571 120.400 0.007 0.000 2.097 116 D HA -0.030 4.610 4.640 -0.000 0.000 0.197 116 D C 2.847 179.153 176.300 0.010 0.000 0.984 116 D CA 1.214 55.218 54.000 0.008 0.000 0.826 116 D CB -0.378 40.425 40.800 0.005 0.000 0.973 116 D HN 0.292 nan 8.370 nan 0.000 0.460 117 A N 1.229 124.053 122.820 0.007 0.000 1.933 117 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 117 A C 2.319 179.912 177.584 0.015 0.000 1.175 117 A CA 2.069 54.110 52.037 0.007 0.000 0.628 117 A CB -0.595 18.404 19.000 -0.001 0.000 0.814 117 A HN 0.234 nan 8.150 nan 0.000 0.444 118 A N -0.834 121.998 122.820 0.020 0.000 1.933 118 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 118 A C 2.301 179.905 177.584 0.033 0.000 1.175 118 A CA 1.691 53.747 52.037 0.032 0.000 0.628 118 A CB -0.953 18.067 19.000 0.032 0.000 0.814 118 A HN 0.636 nan 8.150 nan 0.000 0.444 119 V N -0.481 119.447 119.914 0.024 0.000 2.358 119 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 119 V C 2.445 178.557 176.094 0.031 0.000 1.047 119 V CA 2.198 64.512 62.300 0.023 0.000 1.035 119 V CB -0.191 31.642 31.823 0.016 0.000 0.658 119 V HN 0.331 nan 8.190 nan 0.000 0.452 120 V N -0.666 119.263 119.914 0.026 0.000 2.323 120 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 120 V C 2.457 178.569 176.094 0.030 0.000 1.041 120 V CA 2.238 64.553 62.300 0.024 0.000 1.025 120 V CB -0.575 31.257 31.823 0.015 0.000 0.656 120 V HN 0.496 nan 8.190 nan 0.000 0.451 121 M N 0.230 119.849 119.600 0.032 0.000 2.108 121 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 121 M C 2.185 178.543 176.300 0.097 0.000 1.066 121 M CA 2.114 57.438 55.300 0.041 0.000 1.107 121 M CB -1.203 31.422 32.600 0.042 0.000 1.356 121 M HN 0.389 nan 8.290 nan 0.000 0.406 122 T N -1.031 113.596 114.554 0.121 0.000 2.708 122 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 122 T C 2.020 176.856 174.700 0.227 0.000 1.037 122 T CA 1.863 64.085 62.100 0.204 0.000 1.146 122 T CB -0.548 68.369 68.868 0.081 0.000 0.865 122 T HN 0.474 nan 8.240 nan 0.000 0.435 123 S N 0.866 116.640 115.700 0.124 0.000 2.370 123 S HA -0.092 4.378 4.470 -0.000 0.000 0.226 123 S C 2.320 176.971 174.600 0.085 0.000 1.033 123 S CA 1.379 59.639 58.200 0.101 0.000 1.011 123 S CB -0.493 62.743 63.200 0.059 0.000 0.852 123 S HN 0.518 nan 8.310 nan 0.000 0.457 124 A N 0.829 123.681 122.820 0.053 0.000 1.897 124 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 124 A C 2.174 179.738 177.584 -0.033 0.000 1.181 124 A CA 1.133 53.170 52.037 -0.000 0.000 0.620 124 A CB -0.635 18.344 19.000 -0.036 0.000 0.821 124 A HN 0.522 nan 8.150 nan 0.000 0.443 125 Q N -0.349 119.446 119.800 -0.008 0.000 2.291 125 Q HA -0.098 4.242 4.340 -0.000 0.000 0.206 125 Q C 1.972 177.877 176.000 -0.158 0.000 0.976 125 Q CA 0.782 56.514 55.803 -0.118 0.000 0.875 125 Q CB -0.329 28.327 28.738 -0.137 0.000 0.927 125 Q HN 0.629 nan 8.270 nan 0.000 0.450 126 I N 0.240 120.817 120.570 0.013 0.000 2.233 126 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 126 I C 1.918 178.064 176.117 0.047 0.000 1.093 126 I CA 1.278 62.611 61.300 0.055 0.000 1.380 126 I CB -1.212 36.889 38.000 0.168 0.000 1.067 126 I HN 0.151 nan 8.210 nan 0.000 0.413 127 T N 1.155 115.754 114.554 0.076 0.000 2.746 127 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 127 T C 1.966 176.782 174.700 0.193 0.000 1.039 127 T CA 1.143 63.350 62.100 0.178 0.000 1.142 127 T CB -0.099 68.844 68.868 0.125 0.000 0.866 127 T HN 0.129 nan 8.240 nan 0.000 0.444 128 M N 1.047 120.626 119.600 -0.036 0.000 2.159 128 M HA 0.055 4.535 4.480 -0.000 0.000 0.263 128 M C 2.624 178.882 176.300 -0.069 0.000 1.063 128 M CA 1.359 56.551 55.300 -0.180 0.000 1.110 128 M CB -1.458 30.861 32.600 -0.468 0.000 1.374 128 M HN 0.400 nan 8.290 nan 0.000 0.411 129 G N -1.055 107.668 108.800 -0.129 0.000 2.939 129 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.210 129 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.210 129 G C 1.524 176.325 174.900 -0.165 0.000 1.160 129 G CA -0.094 44.913 45.100 -0.156 0.000 0.770 129 G HN 0.199 nan 8.290 nan 0.000 0.543 130 M N 1.379 120.882 119.600 -0.162 0.000 2.088 130 M HA -0.066 4.414 4.480 -0.000 0.000 0.256 130 M C -0.544 175.588 176.300 -0.281 0.000 1.071 130 M CA 1.741 56.917 55.300 -0.206 0.000 1.097 130 M CB -1.180 31.267 32.600 -0.255 0.000 1.315 130 M HN 0.044 nan 8.290 nan 0.000 0.406 131 P HA -0.148 nan 4.420 nan 0.000 0.216 131 P C 1.028 178.424 177.300 0.160 0.000 1.150 131 P CA 1.356 64.313 63.100 -0.239 0.000 0.837 131 P CB -0.352 31.131 31.700 -0.362 0.000 0.786 132 Y N -0.239 120.114 120.300 0.089 0.000 2.200 132 Y HA -0.008 4.542 4.550 0.000 0.000 0.290 132 Y C 2.565 178.449 175.900 -0.027 0.000 1.137 132 Y CA 0.300 58.423 58.100 0.037 0.000 1.163 132 Y CB -1.846 36.615 38.460 0.002 0.000 0.988 132 Y HN -0.102 nan 8.280 nan 0.000 0.518 133 A N 0.431 123.325 122.820 0.122 0.000 1.858 133 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 133 A C 2.415 180.027 177.584 0.046 0.000 1.190 133 A CA 2.705 54.770 52.037 0.048 0.000 0.617 133 A CB -1.390 17.625 19.000 0.026 0.000 0.827 133 A HN 0.288 nan 8.150 nan 0.000 0.443 134 V N -2.266 117.673 119.914 0.041 0.000 2.343 134 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 134 V C 2.290 178.440 176.094 0.092 0.000 1.051 134 V CA 2.622 64.954 62.300 0.052 0.000 1.036 134 V CB -2.064 29.777 31.823 0.030 0.000 0.654 134 V HN 0.436 nan 8.190 nan 0.000 0.451 135 T N 0.210 114.850 114.554 0.143 0.000 2.665 135 T HA -0.271 4.079 4.350 -0.000 0.000 0.268 135 T C 1.846 176.616 174.700 0.117 0.000 1.035 135 T CA 2.167 64.369 62.100 0.169 0.000 1.151 135 T CB -0.623 68.371 68.868 0.210 0.000 0.862 135 T HN 0.736 nan 8.240 nan 0.000 0.438 136 D N 0.830 121.271 120.400 0.068 0.000 2.117 136 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 136 D C 2.356 178.690 176.300 0.057 0.000 0.987 136 D CA 1.316 55.333 54.000 0.027 0.000 0.829 136 D CB -0.076 40.692 40.800 -0.054 0.000 0.961 136 D HN 0.381 nan 8.370 nan 0.000 0.460 137 A N 0.523 123.377 122.820 0.056 0.000 1.877 137 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 137 A C 2.551 180.184 177.584 0.082 0.000 1.186 137 A CA 1.404 53.477 52.037 0.059 0.000 0.620 137 A CB -0.768 18.262 19.000 0.050 0.000 0.822 137 A HN 0.241 nan 8.150 nan 0.000 0.443 138 V N -0.803 119.170 119.914 0.098 0.000 2.871 138 V HA -0.115 4.005 4.120 -0.000 0.000 0.256 138 V C 2.335 178.538 176.094 0.180 0.000 1.082 138 V CA 1.558 63.933 62.300 0.125 0.000 1.105 138 V CB -0.233 31.657 31.823 0.112 0.000 0.713 138 V HN 0.513 nan 8.190 nan 0.000 0.473 139 L N 0.243 121.562 121.223 0.159 0.000 2.127 139 L HA 0.182 4.522 4.340 -0.000 0.000 0.203 139 L C 2.522 179.527 176.870 0.226 0.000 1.080 139 L CA 1.811 56.763 54.840 0.187 0.000 0.768 139 L CB -0.817 41.336 42.059 0.156 0.000 0.924 139 L HN 0.214 nan 8.230 nan 0.000 0.444 140 A N 1.109 124.021 122.820 0.153 0.000 1.909 140 A HA -0.248 4.072 4.320 -0.000 0.000 0.221 140 A C -0.054 177.599 177.584 0.115 0.000 1.223 140 A CA 2.591 54.700 52.037 0.120 0.000 0.658 140 A CB -2.441 16.607 19.000 0.079 0.000 0.831 140 A HN 0.467 nan 8.150 nan 0.000 0.462 141 P HA -0.167 nan 4.420 nan 0.000 0.221 141 P C 0.469 177.729 177.300 -0.065 0.000 1.145 141 P CA 1.818 64.910 63.100 -0.014 0.000 0.795 141 P CB -0.384 31.262 31.700 -0.089 0.000 0.775 142 H N -1.224 117.880 119.070 0.055 0.000 2.544 142 H HA 0.118 4.674 4.556 0.000 0.000 0.269 142 H C 0.944 176.313 175.328 0.068 0.000 0.970 142 H CA -0.068 56.014 56.048 0.057 0.000 1.219 142 H CB -0.238 29.558 29.762 0.057 0.000 1.421 142 H HN 0.048 nan 8.280 nan 0.000 0.555 143 I N 2.053 122.739 120.570 0.192 0.000 2.436 143 I HA 0.135 4.305 4.170 -0.000 0.000 0.289 143 I C 1.324 177.514 176.117 0.123 0.000 1.083 143 I CA 0.269 61.660 61.300 0.152 0.000 1.372 143 I CB 0.345 38.430 38.000 0.142 0.000 1.408 143 I HN 0.210 nan 8.210 nan 0.000 0.516 144 G N 4.712 113.592 108.800 0.133 0.000 2.736 144 G HA2 0.602 4.562 3.960 -0.000 0.000 0.229 144 G HA3 0.602 4.562 3.960 -0.000 0.000 0.229 144 G C 0.184 175.164 174.900 0.134 0.000 1.380 144 G CA -0.494 44.682 45.100 0.126 0.000 1.040 144 G HN 0.701 nan 8.290 nan 0.000 0.568 145 G N -1.100 107.785 108.800 0.142 0.000 2.606 145 G HA2 0.444 4.404 3.960 -0.000 0.000 0.252 145 G HA3 0.444 4.404 3.960 -0.000 0.000 0.252 145 G C -0.209 174.803 174.900 0.187 0.000 1.206 145 G CA -0.325 44.860 45.100 0.141 0.000 0.861 145 G HN 0.522 nan 8.290 nan 0.000 0.561 146 E N -0.612 119.673 120.200 0.142 0.000 2.383 146 E HA 0.370 4.720 4.350 -0.000 0.000 0.264 146 E C 0.797 177.476 176.600 0.130 0.000 1.050 146 E CA 0.212 56.681 56.400 0.115 0.000 0.896 146 E CB 1.386 31.144 29.700 0.096 0.000 0.982 146 E HN 0.459 nan 8.360 nan 0.000 0.424 147 A N 2.467 125.326 122.820 0.065 0.000 2.026 147 A HA 0.476 4.796 4.320 -0.000 0.000 0.198 147 A C 0.626 178.219 177.584 0.016 0.000 1.390 147 A CA 0.791 52.862 52.037 0.057 0.000 0.915 147 A CB 0.781 19.731 19.000 -0.083 0.000 0.974 147 A HN 0.649 nan 8.150 nan 0.000 0.477 155 P HA 0.465 nan 4.420 nan 0.000 0.271 155 P C 0.950 178.225 177.300 -0.042 0.000 1.218 155 P CA 0.582 63.650 63.100 -0.053 0.000 0.780 155 P CB 1.372 33.038 31.700 -0.057 0.000 0.901 156 A N 2.478 125.276 122.820 -0.037 0.000 2.015 156 A HA 0.023 4.343 4.320 -0.000 0.000 0.219 156 A C 0.847 178.411 177.584 -0.032 0.000 1.163 156 A CA 1.131 53.152 52.037 -0.027 0.000 0.646 156 A CB -0.453 18.538 19.000 -0.015 0.000 0.806 156 A HN 0.530 nan 8.150 nan 0.000 0.448 157 L N -1.856 119.343 121.223 -0.039 0.000 2.472 157 L HA 0.543 4.883 4.340 -0.000 0.000 0.260 157 L C -1.271 175.565 176.870 -0.057 0.000 0.963 157 L CA 0.093 54.903 54.840 -0.049 0.000 0.829 157 L CB 2.278 44.306 42.059 -0.051 0.000 1.348 157 L HN -0.070 nan 8.230 nan 0.000 0.408 158 T N 5.233 119.745 114.554 -0.069 0.000 2.815 158 T HA 0.577 4.927 4.350 -0.000 0.000 0.289 158 T C -0.617 174.013 174.700 -0.117 0.000 1.000 158 T CA -0.231 61.823 62.100 -0.076 0.000 0.958 158 T CB 0.791 69.618 68.868 -0.068 0.000 0.944 158 T HN 0.426 nan 8.240 nan 0.000 0.442 159 L N 4.580 125.714 121.223 -0.149 0.000 2.287 159 L HA 0.544 4.884 4.340 -0.000 0.000 0.287 159 L C -0.584 176.093 176.870 -0.320 0.000 1.022 159 L CA -0.966 53.682 54.840 -0.319 0.000 0.814 159 L CB 1.016 42.810 42.059 -0.443 0.000 1.217 159 L HN 0.457 nan 8.230 nan 0.000 0.420 160 I N 4.311 124.691 120.570 -0.317 0.000 2.328 160 I HA 0.287 4.457 4.170 -0.000 0.000 0.287 160 I C -0.285 175.669 176.117 -0.272 0.000 1.012 160 I CA -0.173 61.054 61.300 -0.120 0.000 1.195 160 I CB 0.811 38.875 38.000 0.107 0.000 1.350 160 I HN 0.318 nan 8.210 nan 0.000 0.464 161 F N 3.750 123.556 119.950 -0.240 0.000 2.399 161 F HA 0.266 4.793 4.527 -0.000 0.000 0.334 161 F C 0.980 176.709 175.800 -0.118 0.000 1.097 161 F CA -0.554 57.264 58.000 -0.304 0.000 1.076 161 F CB 1.083 39.828 39.000 -0.425 0.000 1.162 161 F HN 0.350 nan 8.300 nan 0.000 0.495 162 D N 4.419 124.839 120.400 0.033 0.000 2.441 162 D HA 0.317 4.957 4.640 -0.000 0.000 0.221 162 D C -0.319 176.056 176.300 0.125 0.000 1.156 162 D CA 0.057 54.133 54.000 0.126 0.000 0.896 162 D CB -0.016 40.830 40.800 0.076 0.000 1.028 162 D HN 0.584 nan 8.370 nan 0.000 0.509 163 R N 1.306 121.889 120.500 0.139 0.000 0.959 163 R HA -0.170 4.170 4.340 -0.000 0.000 0.432 163 R C -0.374 175.853 176.300 -0.122 0.000 1.366 163 R CA 0.009 56.123 56.100 0.022 0.000 1.194 163 R CB -0.665 29.620 30.300 -0.025 0.000 3.435 163 R HN 0.618 nan 8.270 nan 0.000 0.516 164 H N 3.067 122.026 119.070 -0.185 0.000 2.525 164 H HA 0.237 4.793 4.556 -0.000 0.000 0.340 164 H C -1.783 173.326 175.328 -0.365 0.000 1.168 164 H CA -2.213 53.638 56.048 -0.328 0.000 1.247 164 H CB 1.894 31.406 29.762 -0.417 0.000 1.568 164 H HN 0.210 nan 8.280 nan 0.000 0.536 165 P HA -0.188 nan 4.420 nan 0.000 0.217 165 P C 1.681 178.981 177.300 -0.001 0.000 1.151 165 P CA 2.075 65.015 63.100 -0.265 0.000 0.849 165 P CB -0.166 31.289 31.700 -0.408 0.000 0.787 166 I N -4.178 116.490 120.570 0.164 0.000 2.657 166 I HA -0.178 3.992 4.170 -0.000 0.000 0.261 166 I C 1.933 178.134 176.117 0.140 0.000 1.212 166 I CA 1.463 62.856 61.300 0.157 0.000 1.453 166 I CB -0.983 37.099 38.000 0.136 0.000 1.092 166 I HN -0.178 nan 8.210 nan 0.000 0.452 167 A N 1.685 124.626 122.820 0.202 0.000 1.877 167 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 167 A C 2.520 180.307 177.584 0.340 0.000 1.186 167 A CA 1.983 54.230 52.037 0.350 0.000 0.620 167 A CB -0.899 18.337 19.000 0.393 0.000 0.822 167 A HN 0.597 nan 8.150 nan 0.000 0.443 168 A N -1.411 121.561 122.820 0.254 0.000 2.081 168 A HA 0.389 4.709 4.320 -0.000 0.000 0.214 168 A C 1.820 179.327 177.584 -0.128 0.000 1.158 168 A CA 0.720 52.810 52.037 0.089 0.000 0.724 168 A CB -0.221 18.840 19.000 0.102 0.000 0.826 168 A HN 0.406 nan 8.150 nan 0.000 0.463 169 L N -1.335 119.852 121.223 -0.061 0.000 2.616 169 L HA 0.242 4.582 4.340 -0.000 0.000 0.229 169 L C 1.643 178.538 176.870 0.042 0.000 1.110 169 L CA 0.167 54.937 54.840 -0.116 0.000 0.884 169 L CB 0.622 42.671 42.059 -0.016 0.000 1.115 169 L HN 0.466 nan 8.230 nan 0.000 0.481 170 L N -2.987 118.268 121.223 0.053 0.000 2.437 170 L HA 0.130 4.470 4.340 -0.000 0.000 0.188 170 L C 1.952 178.836 176.870 0.023 0.000 1.123 170 L CA 0.968 55.844 54.840 0.060 0.000 0.981 170 L CB -0.311 41.755 42.059 0.013 0.000 1.935 170 L HN -0.044 nan 8.230 nan 0.000 0.494 171 C N 0.037 119.312 119.300 -0.041 0.000 2.442 171 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 171 C C 2.515 177.435 174.990 -0.116 0.000 1.237 171 C CA 1.156 60.053 59.018 -0.202 0.000 1.722 171 C CB -1.177 26.252 27.740 -0.519 0.000 2.056 171 C HN 0.632 nan 8.230 nan 0.000 0.469 172 Y N 1.207 121.516 120.300 0.015 0.000 2.200 172 Y HA -0.050 4.500 4.550 -0.000 0.000 0.290 172 Y C -0.001 175.919 175.900 0.034 0.000 1.137 172 Y CA 1.646 59.767 58.100 0.036 0.000 1.163 172 Y CB -1.986 36.487 38.460 0.021 0.000 0.988 172 Y HN 0.302 nan 8.280 nan 0.000 0.518 173 P HA -0.213 nan 4.420 nan 0.000 0.215 173 P C 1.469 178.875 177.300 0.177 0.000 1.153 173 P CA 2.406 65.633 63.100 0.211 0.000 0.853 173 P CB -0.128 31.760 31.700 0.313 0.000 0.788 174 A N -0.066 122.828 122.820 0.124 0.000 1.908 174 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 174 A C 2.315 179.938 177.584 0.065 0.000 1.181 174 A CA 2.273 54.365 52.037 0.091 0.000 0.627 174 A CB -1.644 17.358 19.000 0.003 0.000 0.818 174 A HN 0.195 nan 8.150 nan 0.000 0.445 175 A N -0.624 122.187 122.820 -0.015 0.000 1.902 175 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 175 A C 2.193 179.769 177.584 -0.013 0.000 1.181 175 A CA 1.445 53.451 52.037 -0.051 0.000 0.623 175 A CB -0.425 18.499 19.000 -0.125 0.000 0.818 175 A HN 0.388 nan 8.150 nan 0.000 0.443 176 R N -1.555 118.969 120.500 0.039 0.000 2.115 176 R HA -0.123 4.217 4.340 -0.000 0.000 0.230 176 R C 1.989 178.314 176.300 0.042 0.000 1.111 176 R CA 1.549 57.671 56.100 0.037 0.000 0.976 176 R CB -1.043 29.297 30.300 0.067 0.000 0.870 176 R HN 0.790 nan 8.270 nan 0.000 0.445 177 Y N 1.119 121.408 120.300 -0.019 0.000 2.163 177 Y HA -0.157 4.393 4.550 0.000 0.000 0.288 177 Y C 1.832 177.694 175.900 -0.063 0.000 1.136 177 Y CA 1.071 59.149 58.100 -0.037 0.000 1.147 177 Y CB -0.439 37.993 38.460 -0.046 0.000 0.987 177 Y HN -0.147 nan 8.280 nan 0.000 0.509 178 L N 0.249 121.286 121.223 -0.310 0.000 2.349 178 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 178 L C 1.764 178.474 176.870 -0.266 0.000 1.130 178 L CA 1.475 56.099 54.840 -0.361 0.000 0.791 178 L CB -0.806 41.149 42.059 -0.174 0.000 0.918 178 L HN 0.413 nan 8.230 nan 0.000 0.444 179 M N -1.688 117.803 119.600 -0.182 0.000 2.383 179 M HA 0.295 4.775 4.480 -0.000 0.000 0.247 179 M C 1.476 177.701 176.300 -0.125 0.000 1.117 179 M CA 0.677 55.902 55.300 -0.124 0.000 0.995 179 M CB -0.588 31.969 32.600 -0.073 0.000 1.480 179 M HN 0.329 nan 8.290 nan 0.000 0.485 180 G N 1.200 109.893 108.800 -0.179 0.000 2.168 180 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 180 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 180 G C 0.666 175.534 174.900 -0.054 0.000 0.977 180 G CA 0.771 45.793 45.100 -0.131 0.000 0.659 180 G HN 0.574 nan 8.290 nan 0.000 0.533 181 S N -1.603 114.080 115.700 -0.029 0.000 2.602 181 S HA 0.693 5.163 4.470 -0.000 0.000 0.240 181 S C 0.173 174.800 174.600 0.045 0.000 0.992 181 S CA 0.631 58.833 58.200 0.003 0.000 0.971 181 S CB 0.427 63.620 63.200 -0.012 0.000 0.855 181 S HN 1.166 nan 8.310 nan 0.000 0.481 182 M N 2.300 121.953 119.600 0.088 0.000 2.322 182 M HA 0.371 4.851 4.480 -0.000 0.000 0.285 182 M C -0.759 175.652 176.300 0.184 0.000 1.119 182 M CA -0.161 55.216 55.300 0.128 0.000 0.953 182 M CB 1.986 34.683 32.600 0.162 0.000 1.701 182 M HN 0.236 nan 8.290 nan 0.000 0.479 183 T N 2.061 116.681 114.554 0.110 0.000 2.918 183 T HA 0.405 4.755 4.350 -0.000 0.000 0.302 183 T C -2.016 172.687 174.700 0.004 0.000 1.045 183 T CA -1.047 61.104 62.100 0.085 0.000 1.114 183 T CB 0.470 69.351 68.868 0.022 0.000 0.965 183 T HN 0.626 nan 8.240 nan 0.000 0.540 184 P HA -0.047 nan 4.420 nan 0.000 0.226 184 P C 1.078 178.272 177.300 -0.177 0.000 1.153 184 P CA 0.802 63.703 63.100 -0.332 0.000 0.777 184 P CB 0.194 31.537 31.700 -0.595 0.000 0.794 185 Q N 0.257 119.960 119.800 -0.161 0.000 2.167 185 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 185 Q C 2.434 178.405 176.000 -0.048 0.000 0.970 185 Q CA 1.867 57.627 55.803 -0.073 0.000 0.855 185 Q CB -1.039 27.714 28.738 0.024 0.000 0.911 185 Q HN 0.214 nan 8.270 nan 0.000 0.438 186 A N -0.039 122.728 122.820 -0.088 0.000 1.873 186 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 186 A C 2.281 179.736 177.584 -0.215 0.000 1.186 186 A CA 1.280 53.197 52.037 -0.199 0.000 0.616 186 A CB -0.773 18.135 19.000 -0.153 0.000 0.823 186 A HN 0.209 nan 8.150 nan 0.000 0.442 187 V N 0.346 120.246 119.914 -0.024 0.000 2.287 187 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 187 V C 2.520 178.647 176.094 0.055 0.000 1.053 187 V CA 2.074 64.446 62.300 0.121 0.000 1.027 187 V CB -0.807 31.127 31.823 0.184 0.000 0.646 187 V HN 0.565 nan 8.190 nan 0.000 0.447 188 L N -0.234 120.960 121.223 -0.050 0.000 2.217 188 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 188 L C 2.662 179.512 176.870 -0.033 0.000 1.107 188 L CA 1.057 55.830 54.840 -0.112 0.000 0.783 188 L CB -0.719 41.262 42.059 -0.130 0.000 0.919 188 L HN 0.365 nan 8.230 nan 0.000 0.442 189 A N 0.129 122.911 122.820 -0.063 0.000 1.902 189 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 189 A C 1.969 179.538 177.584 -0.025 0.000 1.181 189 A CA 1.391 53.374 52.037 -0.091 0.000 0.623 189 A CB -0.600 18.273 19.000 -0.213 0.000 0.818 189 A HN 0.266 nan 8.150 nan 0.000 0.443 190 F N -0.109 119.853 119.950 0.020 0.000 2.146 190 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 190 F C 2.508 178.314 175.800 0.009 0.000 1.096 190 F CA 0.823 58.837 58.000 0.024 0.000 1.275 190 F CB -0.994 38.029 39.000 0.039 0.000 1.008 190 F HN 0.017 nan 8.300 nan 0.000 0.480 191 V N 0.130 120.144 119.914 0.166 0.000 2.287 191 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 191 V C 2.637 178.758 176.094 0.045 0.000 1.053 191 V CA 1.872 64.205 62.300 0.055 0.000 1.027 191 V CB -1.432 30.353 31.823 -0.064 0.000 0.646 191 V HN 0.346 nan 8.190 nan 0.000 0.447 192 A N -0.658 122.185 122.820 0.039 0.000 2.024 192 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 192 A C 2.039 179.655 177.584 0.052 0.000 1.164 192 A CA 1.605 53.666 52.037 0.039 0.000 0.643 192 A CB -0.478 18.542 19.000 0.034 0.000 0.806 192 A HN 0.564 nan 8.150 nan 0.000 0.451 193 L N -0.399 120.875 121.223 0.084 0.000 2.592 193 L HA 0.246 4.586 4.340 -0.000 0.000 0.227 193 L C 0.018 176.934 176.870 0.077 0.000 1.127 193 L CA -0.394 54.499 54.840 0.090 0.000 0.884 193 L CB -0.121 42.020 42.059 0.138 0.000 1.065 193 L HN 0.248 nan 8.230 nan 0.000 0.457 194 I N 3.006 123.617 120.570 0.068 0.000 2.668 194 I HA 0.020 4.190 4.170 -0.000 0.000 0.285 194 I C -1.561 174.578 176.117 0.038 0.000 1.168 194 I CA -1.469 59.862 61.300 0.051 0.000 1.424 194 I CB 0.306 38.335 38.000 0.048 0.000 1.377 194 I HN -0.090 nan 8.210 nan 0.000 0.560 195 P HA 0.149 nan 4.420 nan 0.000 0.269 195 P C -2.539 174.776 177.300 0.026 0.000 1.215 195 P CA -1.254 61.859 63.100 0.021 0.000 0.780 195 P CB -0.323 31.380 31.700 0.005 0.000 0.898 196 P HA 0.025 nan 4.420 nan 0.000 0.265 196 P C -0.189 177.130 177.300 0.031 0.000 1.187 196 P CA 0.623 63.739 63.100 0.026 0.000 0.766 196 P CB -0.139 31.576 31.700 0.025 0.000 0.820 197 T N 4.484 119.053 114.554 0.025 0.000 2.743 197 T HA 0.190 4.540 4.350 -0.000 0.000 0.290 197 T C 0.644 175.365 174.700 0.036 0.000 0.908 197 T CA -0.231 61.881 62.100 0.021 0.000 1.092 197 T CB -0.473 68.385 68.868 -0.017 0.000 0.882 197 T HN 0.175 nan 8.240 nan 0.000 0.531 198 L N 4.988 126.246 121.223 0.058 0.000 2.473 198 L HA 0.240 4.580 4.340 -0.000 0.000 0.268 198 L C -1.797 175.134 176.870 0.101 0.000 1.215 198 L CA -1.973 52.917 54.840 0.082 0.000 0.823 198 L CB -0.152 41.969 42.059 0.104 0.000 1.099 198 L HN 0.303 nan 8.230 nan 0.000 0.483 199 P HA 0.051 nan 4.420 nan 0.000 0.270 199 P C 0.262 177.670 177.300 0.179 0.000 1.223 199 P CA 0.342 63.529 63.100 0.144 0.000 0.785 199 P CB 0.567 32.344 31.700 0.127 0.000 0.923 200 G N 0.880 109.821 108.800 0.235 0.000 2.273 200 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.280 200 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.280 200 G C -0.021 175.054 174.900 0.291 0.000 1.047 200 G CA 0.035 45.276 45.100 0.236 0.000 0.869 200 G HN 0.541 nan 8.290 nan 0.000 0.502 201 T N 1.682 116.423 114.554 0.311 0.000 2.875 201 T HA 0.343 4.693 4.350 -0.000 0.000 0.307 201 T C 0.274 175.154 174.700 0.300 0.000 1.013 201 T CA -0.485 61.763 62.100 0.247 0.000 0.970 201 T CB 0.271 69.147 68.868 0.014 0.000 0.986 201 T HN 0.385 nan 8.240 nan 0.000 0.536 202 N N 4.029 122.972 118.700 0.405 0.000 2.422 202 N HA 0.316 5.056 4.740 -0.000 0.000 0.266 202 N C -0.634 175.135 175.510 0.431 0.000 1.007 202 N CA -0.482 52.859 53.050 0.486 0.000 0.941 202 N CB 1.461 40.163 38.487 0.359 0.000 1.115 202 N HN 0.414 nan 8.380 nan 0.000 0.492 203 I N 2.392 123.186 120.570 0.373 0.000 2.362 203 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 203 I C 0.024 176.343 176.117 0.336 0.000 0.994 203 I CA -0.790 60.669 61.300 0.264 0.000 1.158 203 I CB 1.617 39.655 38.000 0.063 0.000 1.315 203 I HN 0.027 nan 8.210 nan 0.000 0.451 204 V N 7.498 127.594 119.914 0.303 0.000 2.370 204 V HA 0.436 4.556 4.120 -0.000 0.000 0.279 204 V C 0.347 176.569 176.094 0.215 0.000 1.029 204 V CA -0.399 62.066 62.300 0.274 0.000 0.870 204 V CB 1.838 33.785 31.823 0.207 0.000 0.984 204 V HN 0.476 nan 8.190 nan 0.000 0.451 205 L N 3.617 124.953 121.223 0.187 0.000 2.313 205 L HA 0.834 5.174 4.340 -0.000 0.000 0.268 205 L C 0.713 177.685 176.870 0.170 0.000 1.010 205 L CA -0.568 54.361 54.840 0.148 0.000 0.814 205 L CB 1.985 44.132 42.059 0.147 0.000 1.304 205 L HN 0.710 nan 8.230 nan 0.000 0.441 206 G N -0.022 108.877 108.800 0.165 0.000 2.441 206 G HA2 0.692 4.652 3.960 -0.000 0.000 0.334 206 G HA3 0.692 4.652 3.960 -0.000 0.000 0.334 206 G C -1.352 173.650 174.900 0.170 0.000 1.161 206 G CA -0.440 44.837 45.100 0.295 0.000 0.935 206 G HN 0.694 nan 8.290 nan 0.000 0.488 207 A N 0.383 123.317 122.820 0.191 0.000 2.330 207 A HA 0.781 5.101 4.320 -0.000 0.000 0.313 207 A C -1.237 176.412 177.584 0.107 0.000 1.124 207 A CA -0.547 51.552 52.037 0.104 0.000 0.774 207 A CB 1.519 20.558 19.000 0.066 0.000 1.198 207 A HN 1.376 nan 8.150 nan 0.000 0.465 208 L N 3.667 124.924 121.223 0.056 0.000 2.751 208 L HA 0.514 4.854 4.340 -0.000 0.000 0.261 208 L C -2.888 174.013 176.870 0.052 0.000 0.927 208 L CA -0.829 54.033 54.840 0.037 0.000 0.968 208 L CB 1.857 43.883 42.059 -0.056 0.000 1.432 208 L HN 0.457 nan 8.230 nan 0.000 0.439 209 P HA 0.120 nan 4.420 nan 0.000 0.265 209 P C 0.458 177.810 177.300 0.086 0.000 1.187 209 P CA 0.133 63.270 63.100 0.061 0.000 0.766 209 P CB 0.709 32.437 31.700 0.046 0.000 0.820 210 E N 2.334 122.580 120.200 0.077 0.000 2.070 210 E HA -0.303 4.047 4.350 -0.000 0.000 0.197 210 E C 1.364 177.999 176.600 0.059 0.000 1.004 210 E CA 1.756 58.200 56.400 0.073 0.000 0.805 210 E CB -0.074 29.643 29.700 0.028 0.000 0.744 210 E HN 0.593 nan 8.360 nan 0.000 0.451 211 D N -0.181 120.244 120.400 0.042 0.000 2.178 211 D HA -0.219 4.421 4.640 -0.000 0.000 0.202 211 D C 1.997 178.326 176.300 0.047 0.000 0.974 211 D CA 0.723 54.742 54.000 0.032 0.000 0.841 211 D CB -0.343 40.470 40.800 0.022 0.000 0.953 211 D HN 0.045 nan 8.370 nan 0.000 0.478 212 R N 0.165 120.703 120.500 0.063 0.000 2.090 212 R HA -0.093 4.247 4.340 -0.000 0.000 0.228 212 R C 2.303 178.665 176.300 0.103 0.000 1.110 212 R CA 1.085 57.225 56.100 0.065 0.000 0.973 212 R CB -0.843 29.490 30.300 0.055 0.000 0.869 212 R HN 0.533 nan 8.270 nan 0.000 0.440 213 H N -0.356 118.709 119.070 -0.008 0.000 2.357 213 H HA 0.016 4.572 4.556 0.000 0.000 0.301 213 H C 2.163 177.472 175.328 -0.031 0.000 1.082 213 H CA 1.409 57.440 56.048 -0.029 0.000 1.342 213 H CB 0.111 29.848 29.762 -0.042 0.000 1.389 213 H HN 0.083 nan 8.280 nan 0.000 0.511 214 I N 1.028 121.634 120.570 0.059 0.000 2.163 214 I HA -0.305 3.865 4.170 -0.000 0.000 0.243 214 I C 1.963 178.095 176.117 0.025 0.000 1.085 214 I CA 1.349 62.638 61.300 -0.018 0.000 1.347 214 I CB -0.276 37.710 38.000 -0.024 0.000 1.044 214 I HN 0.393 nan 8.210 nan 0.000 0.408 215 D N 0.576 121.001 120.400 0.042 0.000 2.104 215 D HA -0.194 4.446 4.640 -0.000 0.000 0.194 215 D C 2.313 178.641 176.300 0.046 0.000 0.994 215 D CA 1.373 55.395 54.000 0.037 0.000 0.830 215 D CB -0.256 40.565 40.800 0.036 0.000 0.959 215 D HN 0.275 nan 8.370 nan 0.000 0.452 216 R N 0.255 120.796 120.500 0.068 0.000 2.066 216 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 216 R C 2.541 178.889 176.300 0.080 0.000 1.131 216 R CA 0.402 56.541 56.100 0.066 0.000 0.955 216 R CB -0.503 29.830 30.300 0.054 0.000 0.851 216 R HN 0.149 nan 8.270 nan 0.000 0.432 217 L N 0.337 121.631 121.223 0.119 0.000 1.997 217 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 217 L C 2.327 179.226 176.870 0.049 0.000 1.074 217 L CA 1.949 56.839 54.840 0.083 0.000 0.763 217 L CB -0.569 41.487 42.059 -0.005 0.000 0.890 217 L HN 0.333 nan 8.230 nan 0.000 0.434 218 A N 0.184 123.022 122.820 0.030 0.000 1.917 218 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 218 A C 2.330 179.926 177.584 0.020 0.000 1.182 218 A CA 2.232 54.279 52.037 0.018 0.000 0.633 218 A CB -0.681 18.327 19.000 0.013 0.000 0.819 218 A HN 0.601 nan 8.150 nan 0.000 0.448 219 K N -1.354 119.063 120.400 0.028 0.000 2.009 219 K HA -0.168 4.152 4.320 -0.000 0.000 0.210 219 K C 0.100 176.716 176.600 0.027 0.000 1.049 219 K CA 1.354 57.657 56.287 0.025 0.000 0.929 219 K CB -0.079 32.438 32.500 0.028 0.000 0.714 219 K HN 0.185 nan 8.250 nan 0.000 0.440 220 R N 1.785 122.309 120.500 0.039 0.000 2.467 220 R HA 0.260 4.600 4.340 -0.000 0.000 0.299 220 R C -1.248 175.085 176.300 0.055 0.000 1.120 220 R CA -0.344 55.782 56.100 0.043 0.000 0.940 220 R CB 1.356 31.685 30.300 0.048 0.000 1.161 220 R HN 0.274 nan 8.270 nan 0.000 0.506 221 Q N 3.084 122.899 119.800 0.025 0.000 2.282 221 Q HA 0.459 4.799 4.340 -0.000 0.000 0.260 221 Q C -0.060 175.933 176.000 -0.011 0.000 0.964 221 Q CA -1.082 54.717 55.803 -0.007 0.000 0.880 221 Q CB 2.219 30.923 28.738 -0.057 0.000 1.286 221 Q HN 0.160 nan 8.270 nan 0.000 0.445 222 R N 1.979 122.469 120.500 -0.017 0.000 2.707 222 R HA 0.296 4.636 4.340 -0.000 0.000 0.270 222 R C -2.148 174.138 176.300 -0.024 0.000 1.083 222 R CA -2.197 53.913 56.100 0.016 0.000 1.182 222 R CB -0.751 29.588 30.300 0.064 0.000 1.084 222 R HN 0.420 nan 8.270 nan 0.000 0.528 223 P HA -0.000 nan 4.420 nan 0.000 0.261 223 P C 0.511 177.800 177.300 -0.018 0.000 1.203 223 P CA 0.765 63.864 63.100 -0.003 0.000 0.767 223 P CB 0.300 32.013 31.700 0.023 0.000 0.785 224 G N 2.337 111.107 108.800 -0.050 0.000 2.213 224 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.226 224 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.226 224 G C 0.155 174.970 174.900 -0.141 0.000 0.992 224 G CA -0.388 44.682 45.100 -0.049 0.000 0.632 224 G HN 0.531 nan 8.290 nan 0.000 0.511 225 E N 0.460 120.471 120.200 -0.315 0.000 2.408 225 E HA 0.476 4.826 4.350 -0.000 0.000 0.259 225 E C 0.343 176.653 176.600 -0.484 0.000 1.110 225 E CA 0.109 56.035 56.400 -0.790 0.000 0.929 225 E CB 0.418 29.723 29.700 -0.659 0.000 0.971 225 E HN 0.377 nan 8.360 nan 0.000 0.438 226 R N 1.555 121.743 120.500 -0.521 0.000 2.532 226 R HA 0.310 4.650 4.340 -0.000 0.000 0.297 226 R C -0.700 175.578 176.300 -0.037 0.000 0.984 226 R CA -0.755 55.270 56.100 -0.124 0.000 0.884 226 R CB 1.223 31.547 30.300 0.040 0.000 1.182 226 R HN 0.400 nan 8.270 nan 0.000 0.442 227 L N 2.847 124.059 121.223 -0.018 0.000 2.559 227 L HA -0.017 4.323 4.340 -0.000 0.000 0.274 227 L C -0.094 176.829 176.870 0.087 0.000 1.205 227 L CA 0.899 55.757 54.840 0.030 0.000 0.907 227 L CB 0.196 42.261 42.059 0.010 0.000 1.153 227 L HN 0.572 nan 8.230 nan 0.000 0.490 228 D N 4.295 124.775 120.400 0.134 0.000 2.402 228 D HA 0.176 4.816 4.640 -0.000 0.000 0.252 228 D C 0.593 176.942 176.300 0.081 0.000 1.294 228 D CA -0.415 53.668 54.000 0.138 0.000 0.948 228 D CB 1.232 42.169 40.800 0.228 0.000 1.202 228 D HN 0.342 nan 8.370 nan 0.000 0.561 229 L N 2.124 123.366 121.223 0.032 0.000 2.275 229 L HA 0.004 4.344 4.340 -0.000 0.000 0.215 229 L C 2.343 179.203 176.870 -0.016 0.000 1.119 229 L CA 0.978 55.811 54.840 -0.012 0.000 0.790 229 L CB -0.189 41.860 42.059 -0.017 0.000 0.919 229 L HN 0.377 nan 8.230 nan 0.000 0.443 230 A N -0.323 122.500 122.820 0.004 0.000 1.970 230 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 230 A C 2.202 179.783 177.584 -0.005 0.000 1.170 230 A CA 1.276 53.308 52.037 -0.008 0.000 0.645 230 A CB -0.265 18.730 19.000 -0.008 0.000 0.816 230 A HN 0.334 nan 8.150 nan 0.000 0.447 231 M N -0.571 119.048 119.600 0.032 0.000 2.288 231 M HA 0.152 4.632 4.480 -0.000 0.000 0.266 231 M C 1.725 178.048 176.300 0.040 0.000 1.072 231 M CA 1.096 56.430 55.300 0.057 0.000 1.132 231 M CB -0.454 32.225 32.600 0.133 0.000 1.386 231 M HN 0.355 nan 8.290 nan 0.000 0.432 232 L N -0.282 120.933 121.223 -0.013 0.000 2.046 232 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 232 L C 2.178 178.982 176.870 -0.110 0.000 1.077 232 L CA 1.822 56.575 54.840 -0.145 0.000 0.747 232 L CB -0.789 41.119 42.059 -0.250 0.000 0.896 232 L HN 0.428 nan 8.230 nan 0.000 0.432 233 A N -0.390 122.388 122.820 -0.070 0.000 1.898 233 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 233 A C 2.446 180.007 177.584 -0.039 0.000 1.181 233 A CA 1.502 53.509 52.037 -0.049 0.000 0.620 233 A CB -0.677 18.297 19.000 -0.043 0.000 0.819 233 A HN 0.512 nan 8.150 nan 0.000 0.442 234 A N -0.398 122.397 122.820 -0.041 0.000 1.902 234 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 234 A C 2.100 179.654 177.584 -0.050 0.000 1.181 234 A CA 1.791 53.797 52.037 -0.052 0.000 0.623 234 A CB -0.552 18.414 19.000 -0.056 0.000 0.818 234 A HN 0.543 nan 8.150 nan 0.000 0.443 235 I N -0.339 120.208 120.570 -0.038 0.000 2.353 235 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 235 I C 2.410 178.571 176.117 0.073 0.000 1.119 235 I CA 1.210 62.490 61.300 -0.034 0.000 1.417 235 I CB -0.268 37.709 38.000 -0.038 0.000 1.078 235 I HN 0.241 nan 8.210 nan 0.000 0.421 236 R N -0.376 120.156 120.500 0.053 0.000 2.115 236 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 236 R C 2.434 178.778 176.300 0.074 0.000 1.111 236 R CA 1.016 57.173 56.100 0.096 0.000 0.976 236 R CB -0.454 29.889 30.300 0.071 0.000 0.870 236 R HN 0.336 nan 8.270 nan 0.000 0.445 237 R N 0.954 121.465 120.500 0.020 0.000 2.070 237 R HA -0.120 4.220 4.340 -0.000 0.000 0.233 237 R C 2.115 178.403 176.300 -0.020 0.000 1.137 237 R CA 1.544 57.641 56.100 -0.006 0.000 0.945 237 R CB -0.275 30.003 30.300 -0.035 0.000 0.845 237 R HN 0.043 nan 8.270 nan 0.000 0.430 238 V N 0.343 120.225 119.914 -0.053 0.000 2.282 238 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 238 V C 2.002 178.008 176.094 -0.147 0.000 1.057 238 V CA 1.909 64.130 62.300 -0.132 0.000 1.032 238 V CB -0.666 31.030 31.823 -0.211 0.000 0.645 238 V HN 0.379 nan 8.190 nan 0.000 0.447 239 Y N 1.013 121.287 120.300 -0.042 0.000 2.421 239 Y HA -0.022 4.528 4.550 -0.000 0.000 0.292 239 Y C 2.406 178.303 175.900 -0.004 0.000 1.136 239 Y CA 1.235 59.326 58.100 -0.014 0.000 1.255 239 Y CB -0.791 37.674 38.460 0.008 0.000 0.991 239 Y HN 0.276 nan 8.280 nan 0.000 0.552 240 G N -0.307 108.563 108.800 0.116 0.000 2.394 240 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 240 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 240 G C 1.627 176.545 174.900 0.030 0.000 1.165 240 G CA 0.712 45.855 45.100 0.072 0.000 0.784 240 G HN 0.324 nan 8.290 nan 0.000 0.535 241 L N -0.222 120.995 121.223 -0.010 0.000 2.046 241 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 241 L C 2.705 179.546 176.870 -0.049 0.000 1.077 241 L CA 0.618 55.432 54.840 -0.042 0.000 0.747 241 L CB -0.523 41.487 42.059 -0.083 0.000 0.896 241 L HN 0.238 nan 8.230 nan 0.000 0.432 242 L N 0.538 121.721 121.223 -0.066 0.000 1.990 242 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 242 L C 2.666 179.531 176.870 -0.009 0.000 1.072 242 L CA 2.193 56.991 54.840 -0.070 0.000 0.755 242 L CB -0.660 41.333 42.059 -0.110 0.000 0.889 242 L HN 0.164 nan 8.230 nan 0.000 0.432 243 A N -0.671 122.169 122.820 0.034 0.000 1.972 243 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 243 A C 2.058 179.668 177.584 0.042 0.000 1.169 243 A CA 1.925 53.988 52.037 0.043 0.000 0.635 243 A CB -0.818 18.220 19.000 0.063 0.000 0.810 243 A HN 0.639 nan 8.150 nan 0.000 0.446 244 N N -0.315 118.410 118.700 0.041 0.000 2.216 244 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 244 N C 1.692 177.264 175.510 0.103 0.000 1.017 244 N CA 1.829 54.916 53.050 0.062 0.000 0.861 244 N CB -0.755 37.755 38.487 0.039 0.000 0.986 244 N HN 0.492 nan 8.380 nan 0.000 0.428 245 T N 0.612 115.207 114.554 0.068 0.000 2.746 245 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 245 T C 2.138 176.960 174.700 0.203 0.000 1.039 245 T CA 0.807 62.989 62.100 0.136 0.000 1.142 245 T CB -0.302 68.556 68.868 -0.017 0.000 0.866 245 T HN -0.032 nan 8.240 nan 0.000 0.444 246 V N 1.621 121.593 119.914 0.097 0.000 2.295 246 V HA -0.185 3.935 4.120 -0.000 0.000 0.246 246 V C 2.650 178.795 176.094 0.085 0.000 1.049 246 V CA 1.605 63.944 62.300 0.065 0.000 1.024 246 V CB -0.591 31.231 31.823 -0.002 0.000 0.648 246 V HN 0.388 nan 8.190 nan 0.000 0.447 247 R N -1.120 119.435 120.500 0.092 0.000 2.091 247 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 247 R C 2.338 178.722 176.300 0.140 0.000 1.136 247 R CA 2.132 58.286 56.100 0.090 0.000 0.959 247 R CB -0.648 29.704 30.300 0.086 0.000 0.856 247 R HN 0.614 nan 8.270 nan 0.000 0.437 248 Y N 1.850 122.194 120.300 0.074 0.000 2.081 248 Y HA -0.250 4.300 4.550 0.000 0.000 0.280 248 Y C 2.021 177.984 175.900 0.104 0.000 1.163 248 Y CA 1.671 59.833 58.100 0.103 0.000 1.135 248 Y CB -0.472 38.083 38.460 0.158 0.000 0.970 248 Y HN -0.055 nan 8.280 nan 0.000 0.498 249 L N -0.099 121.205 121.223 0.135 0.000 2.083 249 L HA -0.271 4.069 4.340 -0.000 0.000 0.209 249 L C 2.502 179.354 176.870 -0.028 0.000 1.083 249 L CA 1.731 56.589 54.840 0.031 0.000 0.752 249 L CB -0.667 41.489 42.059 0.162 0.000 0.899 249 L HN 0.330 nan 8.230 nan 0.000 0.433 250 Q N -1.088 118.712 119.800 0.001 0.000 2.172 250 Q HA -0.130 4.210 4.340 -0.000 0.000 0.200 250 Q C 1.954 177.939 176.000 -0.025 0.000 0.964 250 Q CA 1.157 56.955 55.803 -0.009 0.000 0.855 250 Q CB -0.100 28.639 28.738 0.002 0.000 0.918 250 Q HN 0.532 nan 8.270 nan 0.000 0.444 251 C N 0.338 119.614 119.300 -0.039 0.000 2.524 251 C HA 0.281 4.741 4.460 -0.000 0.000 0.301 251 C C 1.459 176.394 174.990 -0.091 0.000 1.296 251 C CA 0.379 59.371 59.018 -0.044 0.000 1.683 251 C CB -1.140 26.592 27.740 -0.013 0.000 1.764 251 C HN 0.799 nan 8.230 nan 0.000 0.597 252 G N 0.427 109.154 108.800 -0.122 0.000 2.157 252 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.248 252 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.248 252 G C 0.393 175.140 174.900 -0.255 0.000 0.979 252 G CA -0.035 44.979 45.100 -0.143 0.000 0.650 252 G HN 0.817 nan 8.290 nan 0.000 0.529 253 G N 0.058 108.562 108.800 -0.494 0.000 2.305 253 G HA2 0.465 4.425 3.960 -0.000 0.000 0.243 253 G HA3 0.465 4.425 3.960 -0.000 0.000 0.243 253 G C 0.261 174.847 174.900 -0.523 0.000 1.288 253 G CA 1.106 45.661 45.100 -0.908 0.000 0.901 253 G HN 1.274 nan 8.290 nan 0.000 0.516 254 S N 3.213 118.749 115.700 -0.272 0.000 2.566 254 S HA 0.308 4.778 4.470 -0.000 0.000 0.324 254 S C 1.102 175.663 174.600 -0.064 0.000 1.081 254 S CA -0.928 57.180 58.200 -0.153 0.000 1.105 254 S CB 0.234 63.331 63.200 -0.171 0.000 0.981 254 S HN 0.739 nan 8.310 nan 0.000 0.464 255 W N 6.396 127.598 121.300 -0.163 0.000 2.363 255 W HA -0.113 4.547 4.660 0.000 0.000 0.296 255 W C 1.064 177.524 176.519 -0.099 0.000 1.212 255 W CA 0.566 57.745 57.345 -0.276 0.000 1.260 255 W CB -0.570 28.259 29.460 -1.052 0.000 1.131 255 W HN 0.666 nan 8.180 nan 0.000 0.530 256 R N 0.714 120.442 120.500 -1.288 0.000 2.096 256 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 256 R C 2.403 178.450 176.300 -0.423 0.000 1.127 256 R CA 1.852 57.237 56.100 -1.192 0.000 0.968 256 R CB -0.559 29.071 30.300 -1.117 0.000 0.861 256 R HN 0.241 nan 8.270 nan 0.000 0.440 257 E N 0.606 120.640 120.200 -0.276 0.000 2.152 257 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 257 E C 0.561 177.161 176.600 0.001 0.000 0.983 257 E CA 1.046 57.378 56.400 -0.113 0.000 0.818 257 E CB 0.219 29.858 29.700 -0.103 0.000 0.758 257 E HN 0.226 nan 8.360 nan 0.000 0.467 258 D N -0.355 120.084 120.400 0.066 0.000 2.350 258 D HA -0.071 4.569 4.640 -0.000 0.000 0.213 258 D C 1.298 177.701 176.300 0.172 0.000 1.031 258 D CA -0.078 53.995 54.000 0.122 0.000 0.861 258 D CB -0.500 40.405 40.800 0.175 0.000 0.926 258 D HN 0.340 nan 8.370 nan 0.000 0.520 259 W N 1.993 123.314 121.300 0.034 0.000 2.325 259 W HA -0.199 4.461 4.660 0.000 0.000 0.299 259 W C 1.731 178.286 176.519 0.061 0.000 1.215 259 W CA 1.743 59.152 57.345 0.105 0.000 1.244 259 W CB -0.246 29.328 29.460 0.190 0.000 1.140 259 W HN 0.055 nan 8.180 nan 0.000 0.523 260 G N 0.223 109.122 108.800 0.164 0.000 2.443 260 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 260 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 260 G C 1.373 176.259 174.900 -0.022 0.000 1.131 260 G CA 0.704 45.834 45.100 0.050 0.000 0.775 260 G HN 0.435 nan 8.290 nan 0.000 0.547 261 Q N -0.307 119.488 119.800 -0.008 0.000 2.291 261 Q HA 0.112 4.452 4.340 -0.000 0.000 0.205 261 Q C 2.336 178.329 176.000 -0.011 0.000 0.970 261 Q CA 0.435 56.255 55.803 0.028 0.000 0.876 261 Q CB -0.162 28.624 28.738 0.080 0.000 0.935 261 Q HN 0.457 nan 8.270 nan 0.000 0.455 262 L N -0.341 120.786 121.223 -0.159 0.000 2.313 262 L HA -0.071 4.269 4.340 -0.000 0.000 0.214 262 L C 2.043 178.795 176.870 -0.196 0.000 1.119 262 L CA 0.535 55.242 54.840 -0.222 0.000 0.809 262 L CB -0.043 41.721 42.059 -0.492 0.000 0.933 262 L HN 0.116 nan 8.230 nan 0.000 0.449 263 S N -1.020 114.573 115.700 -0.178 0.000 2.404 263 S HA 0.285 4.755 4.470 -0.000 0.000 0.223 263 S C 0.798 175.365 174.600 -0.056 0.000 1.040 263 S CA 0.701 58.832 58.200 -0.114 0.000 0.957 263 S CB 0.562 63.710 63.200 -0.086 0.000 0.826 263 S HN 0.533 nan 8.310 nan 0.000 0.491 281 R N 0.933 121.490 120.500 0.095 0.000 2.690 281 R HA 0.755 5.095 4.340 -0.000 0.000 0.269 281 R C -2.993 173.424 176.300 0.195 0.000 1.037 281 R CA -1.208 54.979 56.100 0.144 0.000 0.877 281 R CB 0.544 30.932 30.300 0.148 0.000 1.255 281 R HN 0.295 nan 8.270 nan 0.000 0.467 282 P HA 0.013 nan 4.420 nan 0.000 0.269 282 P C -0.988 176.439 177.300 0.212 0.000 1.209 282 P CA -0.170 63.045 63.100 0.193 0.000 0.776 282 P CB 0.364 32.159 31.700 0.158 0.000 0.876 283 H N 2.722 121.828 119.070 0.059 0.000 2.764 283 H HA 0.057 4.613 4.556 0.000 0.000 0.341 283 H C 1.290 176.576 175.328 -0.070 0.000 1.072 283 H CA -0.087 55.980 56.048 0.031 0.000 1.444 283 H CB 0.746 30.515 29.762 0.013 0.000 1.458 283 H HN 0.470 nan 8.280 nan 0.000 0.572 284 I N 3.995 124.220 120.570 -0.576 0.000 2.502 284 I HA -0.197 3.973 4.170 -0.000 0.000 0.258 284 I C 1.907 177.831 176.117 -0.323 0.000 1.172 284 I CA 1.622 62.595 61.300 -0.546 0.000 1.430 284 I CB -0.331 37.442 38.000 -0.378 0.000 1.086 284 I HN 0.788 nan 8.210 nan 0.000 0.440 285 G N -0.341 108.270 108.800 -0.314 0.000 2.598 285 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.215 285 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.215 285 G C 0.812 175.745 174.900 0.054 0.000 1.131 285 G CA 0.489 45.616 45.100 0.044 0.000 0.785 285 G HN 0.415 nan 8.290 nan 0.000 0.539 286 D N 0.316 120.736 120.400 0.032 0.000 2.559 286 D HA 0.133 4.773 4.640 -0.000 0.000 0.234 286 D C 0.932 177.210 176.300 -0.037 0.000 1.226 286 D CA 0.190 54.199 54.000 0.015 0.000 0.830 286 D CB 0.714 41.547 40.800 0.056 0.000 1.028 286 D HN 0.384 nan 8.370 nan 0.000 0.492 287 T N -3.366 111.139 114.554 -0.082 0.000 2.910 287 T HA 0.416 4.766 4.350 -0.000 0.000 0.287 287 T C 1.319 175.950 174.700 -0.115 0.000 1.050 287 T CA -0.688 61.353 62.100 -0.099 0.000 1.011 287 T CB 1.239 70.019 68.868 -0.148 0.000 1.195 287 T HN -0.158 nan 8.240 nan 0.000 0.540 288 L N -0.248 120.841 121.223 -0.223 0.000 2.353 288 L HA 0.057 4.397 4.340 -0.000 0.000 0.220 288 L C 1.977 178.729 176.870 -0.196 0.000 1.133 288 L CA 0.992 55.680 54.840 -0.252 0.000 0.798 288 L CB -0.680 41.209 42.059 -0.283 0.000 0.922 288 L HN 0.611 nan 8.230 nan 0.000 0.445 289 F N -0.931 119.054 119.950 0.058 0.000 2.216 289 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 289 F C 2.757 178.629 175.800 0.120 0.000 1.085 289 F CA 1.499 59.596 58.000 0.161 0.000 1.326 289 F CB -1.170 37.920 39.000 0.150 0.000 1.027 289 F HN -0.021 nan 8.300 nan 0.000 0.497 290 T N 0.246 114.859 114.554 0.097 0.000 2.849 290 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 290 T C 1.995 176.625 174.700 -0.117 0.000 1.066 290 T CA 1.088 63.160 62.100 -0.045 0.000 1.130 290 T CB -0.347 68.479 68.868 -0.071 0.000 0.864 290 T HN 0.206 nan 8.240 nan 0.000 0.481 291 L N -0.585 120.484 121.223 -0.257 0.000 2.201 291 L HA 0.082 4.422 4.340 -0.000 0.000 0.212 291 L C 1.376 177.895 176.870 -0.585 0.000 1.105 291 L CA 0.868 55.433 54.840 -0.459 0.000 0.775 291 L CB -0.386 41.200 42.059 -0.789 0.000 0.913 291 L HN 0.274 nan 8.230 nan 0.000 0.440 292 F N -1.014 118.939 119.950 0.004 0.000 2.664 292 F HA 0.149 4.676 4.527 0.000 0.000 0.301 292 F C 1.602 177.533 175.800 0.219 0.000 1.126 292 F CA -0.051 57.955 58.000 0.010 0.000 1.373 292 F CB -0.254 38.724 39.000 -0.038 0.000 1.042 292 F HN -0.142 nan 8.300 nan 0.000 0.535 293 R N 1.780 122.399 120.500 0.199 0.000 4.394 293 R HA 0.452 4.792 4.340 -0.000 0.000 0.257 293 R C -0.476 175.866 176.300 0.071 0.000 1.727 293 R CA -0.100 56.064 56.100 0.108 0.000 1.497 293 R CB -0.537 29.619 30.300 -0.240 0.000 1.406 293 R HN 0.149 nan 8.270 nan 0.000 0.745 294 A N 1.632 124.506 122.820 0.089 0.000 2.292 294 A HA 0.439 4.759 4.320 -0.000 0.000 0.319 294 A C -1.515 176.098 177.584 0.048 0.000 1.206 294 A CA -1.445 50.623 52.037 0.051 0.000 0.835 294 A CB 0.967 19.958 19.000 -0.015 0.000 1.164 294 A HN 0.171 nan 8.150 nan 0.000 0.505 295 P HA -0.225 nan 4.420 nan 0.000 0.218 295 P C 0.581 177.913 177.300 0.054 0.000 1.146 295 P CA 1.510 64.641 63.100 0.051 0.000 0.820 295 P CB 0.315 32.041 31.700 0.044 0.000 0.778 296 E N -0.304 119.914 120.200 0.029 0.000 2.274 296 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 296 E C 1.895 178.492 176.600 -0.004 0.000 0.996 296 E CA 0.662 57.073 56.400 0.018 0.000 0.840 296 E CB -0.536 29.152 29.700 -0.019 0.000 0.772 296 E HN 0.317 nan 8.360 nan 0.000 0.491 297 L N 0.437 121.608 121.223 -0.088 0.000 2.592 297 L HA 0.214 4.554 4.340 -0.000 0.000 0.227 297 L C 0.098 177.075 176.870 0.177 0.000 1.127 297 L CA -0.078 54.654 54.840 -0.179 0.000 0.884 297 L CB -0.008 41.822 42.059 -0.383 0.000 1.065 297 L HN 0.036 nan 8.230 nan 0.000 0.457 298 L N -0.232 121.066 121.223 0.126 0.000 2.334 298 L HA 0.660 5.000 4.340 -0.000 0.000 0.273 298 L C 0.371 177.135 176.870 -0.176 0.000 1.013 298 L CA -0.637 54.186 54.840 -0.028 0.000 0.816 298 L CB 1.664 43.747 42.059 0.039 0.000 1.278 298 L HN -0.103 nan 8.230 nan 0.000 0.431 299 A N 2.689 125.174 122.820 -0.558 0.000 2.313 299 A HA 0.437 4.757 4.320 -0.000 0.000 0.261 299 A C -1.709 175.806 177.584 -0.115 0.000 1.090 299 A CA -1.172 50.577 52.037 -0.479 0.000 0.807 299 A CB -0.069 18.565 19.000 -0.610 0.000 1.055 299 A HN 0.647 nan 8.150 nan 0.000 0.492 300 P HA -0.185 nan 4.420 nan 0.000 0.218 300 P C 0.661 177.959 177.300 -0.003 0.000 1.146 300 P CA 1.827 64.936 63.100 0.014 0.000 0.820 300 P CB -0.020 31.701 31.700 0.035 0.000 0.778 301 N N -1.863 116.822 118.700 -0.024 0.000 2.322 301 N HA 0.103 4.843 4.740 -0.000 0.000 0.194 301 N C 1.165 176.669 175.510 -0.009 0.000 1.126 301 N CA 0.590 53.631 53.050 -0.014 0.000 0.845 301 N CB -0.748 37.729 38.487 -0.018 0.000 0.976 301 N HN 0.163 nan 8.380 nan 0.000 0.475 302 G N -0.517 108.274 108.800 -0.015 0.000 2.199 302 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 302 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 302 G C -0.613 174.311 174.900 0.041 0.000 0.982 302 G CA 0.143 45.256 45.100 0.022 0.000 0.632 302 G HN 0.461 nan 8.290 nan 0.000 0.529 303 D N 0.405 120.780 120.400 -0.041 0.000 2.389 303 D HA 0.388 5.028 4.640 -0.000 0.000 0.247 303 D C 0.970 177.182 176.300 -0.147 0.000 1.128 303 D CA -0.264 53.698 54.000 -0.064 0.000 0.884 303 D CB 0.934 41.660 40.800 -0.124 0.000 1.194 303 D HN 0.261 nan 8.370 nan 0.000 0.441 304 L N 3.309 124.490 121.223 -0.071 0.000 2.410 304 L HA 0.045 4.385 4.340 -0.000 0.000 0.273 304 L C -0.080 176.710 176.870 -0.133 0.000 1.152 304 L CA -0.389 54.408 54.840 -0.071 0.000 0.855 304 L CB 0.173 42.118 42.059 -0.190 0.000 1.129 304 L HN 0.353 nan 8.230 nan 0.000 0.463 305 Y N 4.102 124.457 120.300 0.092 0.000 2.578 305 Y HA -0.089 4.461 4.550 -0.000 0.000 0.339 305 Y C 1.739 177.466 175.900 -0.289 0.000 1.231 305 Y CA 0.161 58.220 58.100 -0.067 0.000 1.461 305 Y CB 0.206 38.640 38.460 -0.044 0.000 1.323 305 Y HN 0.590 nan 8.280 nan 0.000 0.590 306 N N 1.123 119.621 118.700 -0.336 0.000 2.104 306 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 306 N C 1.839 176.654 175.510 -1.158 0.000 1.024 306 N CA 1.890 54.406 53.050 -0.890 0.000 0.853 306 N CB -0.267 37.493 38.487 -1.211 0.000 1.008 306 N HN 0.530 nan 8.380 nan 0.000 0.424 307 V N 0.251 119.677 119.914 -0.814 0.000 2.282 307 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 307 V C 1.984 177.880 176.094 -0.330 0.000 1.057 307 V CA 1.696 63.711 62.300 -0.476 0.000 1.032 307 V CB -1.196 30.227 31.823 -0.666 0.000 0.645 307 V HN 0.034 nan 8.190 nan 0.000 0.447 308 F N 1.507 121.378 119.950 -0.132 0.000 2.206 308 F HA 0.189 4.716 4.527 0.000 0.000 0.298 308 F C 2.591 178.266 175.800 -0.208 0.000 1.090 308 F CA 0.736 58.649 58.000 -0.145 0.000 1.323 308 F CB -1.308 37.630 39.000 -0.102 0.000 1.028 308 F HN 0.138 nan 8.300 nan 0.000 0.492 309 A N -0.467 122.302 122.820 -0.085 0.000 1.969 309 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 309 A C 1.980 179.656 177.584 0.154 0.000 1.169 309 A CA 1.075 53.110 52.037 -0.003 0.000 0.635 309 A CB -1.062 17.931 19.000 -0.011 0.000 0.810 309 A HN 0.458 nan 8.150 nan 0.000 0.445 310 W N -0.399 120.945 121.300 0.073 0.000 2.436 310 W HA 0.084 4.745 4.660 0.000 0.000 0.284 310 W C 2.625 179.157 176.519 0.022 0.000 1.225 310 W CA 0.572 57.950 57.345 0.055 0.000 1.271 310 W CB -1.024 28.437 29.460 0.002 0.000 1.114 310 W HN 0.437 nan 8.180 nan 0.000 0.559 311 A N -0.001 122.925 122.820 0.177 0.000 2.067 311 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 311 A C 2.087 179.638 177.584 -0.056 0.000 1.158 311 A CA 0.972 53.035 52.037 0.044 0.000 0.661 311 A CB -0.780 18.215 19.000 -0.007 0.000 0.801 311 A HN 0.206 nan 8.150 nan 0.000 0.452 312 L N -0.775 120.385 121.223 -0.105 0.000 2.179 312 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 312 L C 1.714 178.652 176.870 0.113 0.000 1.096 312 L CA 0.948 55.653 54.840 -0.225 0.000 0.779 312 L CB -0.597 40.940 42.059 -0.870 0.000 0.922 312 L HN 0.294 nan 8.230 nan 0.000 0.443 313 D N 0.067 120.648 120.400 0.301 0.000 2.117 313 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 313 D C 2.334 178.765 176.300 0.217 0.000 0.982 313 D CA 1.061 55.282 54.000 0.367 0.000 0.828 313 D CB -0.028 40.981 40.800 0.349 0.000 0.967 313 D HN 0.090 nan 8.370 nan 0.000 0.464 314 V N 1.360 121.361 119.914 0.145 0.000 2.295 314 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 314 V C 2.531 178.668 176.094 0.072 0.000 1.049 314 V CA 1.065 63.417 62.300 0.087 0.000 1.024 314 V CB -0.522 31.335 31.823 0.056 0.000 0.648 314 V HN 0.123 nan 8.190 nan 0.000 0.447 315 L N 1.120 122.370 121.223 0.045 0.000 1.990 315 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 315 L C 2.477 179.401 176.870 0.091 0.000 1.072 315 L CA 2.585 57.429 54.840 0.006 0.000 0.755 315 L CB -1.059 40.936 42.059 -0.106 0.000 0.889 315 L HN 0.234 nan 8.230 nan 0.000 0.432 316 A N -0.814 122.151 122.820 0.241 0.000 1.908 316 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 316 A C 2.464 180.159 177.584 0.184 0.000 1.181 316 A CA 2.137 54.375 52.037 0.335 0.000 0.627 316 A CB -0.650 18.635 19.000 0.475 0.000 0.818 316 A HN 0.545 nan 8.150 nan 0.000 0.445 317 K N -0.806 119.677 120.400 0.139 0.000 2.025 317 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 317 K C 2.317 178.946 176.600 0.048 0.000 1.049 317 K CA 1.110 57.448 56.287 0.084 0.000 0.933 317 K CB -0.110 32.435 32.500 0.075 0.000 0.714 317 K HN 0.306 nan 8.250 nan 0.000 0.438 318 R N 0.615 121.139 120.500 0.040 0.000 2.073 318 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 318 R C 2.392 178.681 176.300 -0.020 0.000 1.134 318 R CA 1.237 57.343 56.100 0.011 0.000 0.952 318 R CB -0.740 29.568 30.300 0.013 0.000 0.850 318 R HN 0.302 nan 8.270 nan 0.000 0.433 319 L N 0.244 121.462 121.223 -0.009 0.000 2.109 319 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 319 L C 2.839 179.688 176.870 -0.036 0.000 1.086 319 L CA 0.891 55.711 54.840 -0.034 0.000 0.760 319 L CB -0.494 41.556 42.059 -0.015 0.000 0.910 319 L HN 0.156 nan 8.230 nan 0.000 0.437 320 R N 0.752 121.256 120.500 0.006 0.000 2.127 320 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 320 R C 2.122 178.380 176.300 -0.070 0.000 1.134 320 R CA 1.786 57.884 56.100 -0.004 0.000 0.975 320 R CB -0.078 30.240 30.300 0.031 0.000 0.865 320 R HN 0.447 nan 8.270 nan 0.000 0.447 321 S N -0.753 114.890 115.700 -0.094 0.000 2.605 321 S HA 0.147 4.617 4.470 -0.000 0.000 0.217 321 S C 0.786 175.177 174.600 -0.348 0.000 0.958 321 S CA -0.358 57.744 58.200 -0.164 0.000 0.919 321 S CB 0.038 63.189 63.200 -0.081 0.000 0.780 321 S HN 0.141 nan 8.310 nan 0.000 0.507 322 M N 1.913 121.331 119.600 -0.305 0.000 2.247 322 M HA 0.298 4.778 4.480 -0.000 0.000 0.326 322 M C -0.649 175.368 176.300 -0.471 0.000 1.134 322 M CA -0.043 55.046 55.300 -0.351 0.000 1.136 322 M CB 0.515 32.978 32.600 -0.228 0.000 1.454 322 M HN 0.266 nan 8.290 nan 0.000 0.467 323 H N 0.300 119.361 119.070 -0.015 0.000 2.638 323 H HA 0.446 5.002 4.556 -0.000 0.000 0.317 323 H C -1.045 174.168 175.328 -0.191 0.000 1.006 323 H CA -0.651 55.352 56.048 -0.076 0.000 1.222 323 H CB 0.926 30.770 29.762 0.136 0.000 1.419 323 H HN 0.286 nan 8.280 nan 0.000 0.489 324 V N 4.750 124.464 119.914 -0.333 0.000 2.481 324 V HA 0.308 4.428 4.120 -0.000 0.000 0.286 324 V C -0.555 175.125 176.094 -0.690 0.000 1.042 324 V CA -0.379 61.743 62.300 -0.298 0.000 0.928 324 V CB 0.456 32.198 31.823 -0.134 0.000 0.986 324 V HN 0.565 nan 8.190 nan 0.000 0.462 325 F N 4.359 124.355 119.950 0.076 0.000 2.556 325 F HA 0.595 5.122 4.527 -0.000 0.000 0.314 325 F C -0.265 175.565 175.800 0.050 0.000 1.106 325 F CA -0.870 57.164 58.000 0.058 0.000 0.911 325 F CB 1.678 40.711 39.000 0.054 0.000 1.190 325 F HN 0.140 nan 8.300 nan 0.000 0.448 326 I N 4.418 125.087 120.570 0.165 0.000 2.336 326 I HA 0.331 4.501 4.170 -0.000 0.000 0.292 326 I C -0.748 175.404 176.117 0.058 0.000 0.991 326 I CA -0.771 60.591 61.300 0.102 0.000 1.227 326 I CB 1.344 39.384 38.000 0.065 0.000 1.366 326 I HN 0.368 nan 8.210 nan 0.000 0.466 327 L N 6.579 127.805 121.223 0.005 0.000 2.305 327 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 327 L C -0.422 176.327 176.870 -0.203 0.000 1.013 327 L CA -0.336 54.407 54.840 -0.161 0.000 0.819 327 L CB 1.265 43.119 42.059 -0.341 0.000 1.227 327 L HN 0.458 nan 8.230 nan 0.000 0.417 328 D N 3.177 123.477 120.400 -0.168 0.000 2.338 328 D HA 0.051 4.691 4.640 -0.000 0.000 0.255 328 D C 0.116 176.310 176.300 -0.176 0.000 1.237 328 D CA 0.439 54.384 54.000 -0.091 0.000 0.883 328 D CB 0.482 41.252 40.800 -0.050 0.000 1.087 328 D HN 0.505 nan 8.370 nan 0.000 0.485 329 Y N 1.341 121.626 120.300 -0.026 0.000 2.500 329 Y HA 0.058 4.608 4.550 0.000 0.000 0.270 329 Y C 1.254 177.136 175.900 -0.029 0.000 1.134 329 Y CA -0.014 58.065 58.100 -0.035 0.000 1.293 329 Y CB 0.309 38.728 38.460 -0.068 0.000 1.063 329 Y HN 0.400 nan 8.280 nan 0.000 0.534 330 D N 1.979 122.438 120.400 0.098 0.000 2.911 330 D HA -0.011 4.629 4.640 -0.000 0.000 0.233 330 D C -0.114 176.207 176.300 0.036 0.000 1.134 330 D CA 0.336 54.372 54.000 0.061 0.000 1.011 330 D CB -0.558 40.269 40.800 0.044 0.000 1.174 330 D HN 0.553 nan 8.370 nan 0.000 0.440 331 Q N -2.009 117.815 119.800 0.039 0.000 2.814 331 Q HA 0.356 4.696 4.340 -0.000 0.000 0.322 331 Q C -0.755 175.262 176.000 0.028 0.000 0.861 331 Q CA -1.053 54.761 55.803 0.018 0.000 0.773 331 Q CB 0.278 29.012 28.738 -0.007 0.000 1.423 331 Q HN 0.044 nan 8.270 nan 0.000 0.495 332 S N -0.654 115.055 115.700 0.014 0.000 2.585 332 S HA 0.222 4.692 4.470 -0.000 0.000 0.273 332 S C -1.995 172.615 174.600 0.017 0.000 1.339 332 S CA -0.661 57.548 58.200 0.016 0.000 1.028 332 S CB 0.728 63.932 63.200 0.007 0.000 0.906 332 S HN 0.512 nan 8.310 nan 0.000 0.528 333 P HA -0.153 nan 4.420 nan 0.000 0.217 333 P C 1.458 178.759 177.300 0.001 0.000 1.151 333 P CA 2.049 65.163 63.100 0.023 0.000 0.849 333 P CB -0.145 31.566 31.700 0.018 0.000 0.787 334 A N -0.741 122.074 122.820 -0.008 0.000 1.930 334 A HA 0.045 4.365 4.320 -0.000 0.000 0.215 334 A C 2.436 180.005 177.584 -0.026 0.000 1.176 334 A CA 1.712 53.737 52.037 -0.019 0.000 0.632 334 A CB -1.664 17.326 19.000 -0.017 0.000 0.819 334 A HN 0.272 nan 8.150 nan 0.000 0.445 335 G N -0.847 107.939 108.800 -0.023 0.000 2.402 335 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 335 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 335 G C 1.582 176.449 174.900 -0.054 0.000 1.162 335 G CA 1.260 46.340 45.100 -0.032 0.000 0.777 335 G HN 0.486 nan 8.290 nan 0.000 0.539 336 C N -0.128 119.139 119.300 -0.055 0.000 2.413 336 C HA 0.028 4.488 4.460 -0.000 0.000 0.276 336 C C 2.846 177.776 174.990 -0.099 0.000 1.236 336 C CA 0.878 59.830 59.018 -0.109 0.000 1.735 336 C CB -0.711 27.002 27.740 -0.045 0.000 2.031 336 C HN 0.460 nan 8.230 nan 0.000 0.474 337 R N 0.974 121.441 120.500 -0.055 0.000 2.083 337 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 337 R C 1.717 177.980 176.300 -0.061 0.000 1.137 337 R CA 1.982 58.050 56.100 -0.054 0.000 0.951 337 R CB -0.674 29.599 30.300 -0.045 0.000 0.851 337 R HN 0.563 nan 8.270 nan 0.000 0.434 338 D N 0.262 120.629 120.400 -0.055 0.000 2.097 338 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 338 D C 1.798 178.062 176.300 -0.059 0.000 0.989 338 D CA 1.502 55.472 54.000 -0.051 0.000 0.827 338 D CB -0.370 40.405 40.800 -0.041 0.000 0.966 338 D HN 0.317 nan 8.370 nan 0.000 0.456 339 A N 1.212 123.989 122.820 -0.071 0.000 1.917 339 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 339 A C 2.192 179.726 177.584 -0.084 0.000 1.182 339 A CA 1.355 53.344 52.037 -0.079 0.000 0.633 339 A CB -0.809 18.127 19.000 -0.107 0.000 0.819 339 A HN 0.247 nan 8.150 nan 0.000 0.448 340 L N -0.512 120.652 121.223 -0.098 0.000 1.989 340 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 340 L C 2.274 179.094 176.870 -0.083 0.000 1.071 340 L CA 2.019 56.806 54.840 -0.088 0.000 0.749 340 L CB -0.691 41.322 42.059 -0.076 0.000 0.890 340 L HN 0.411 nan 8.230 nan 0.000 0.431 341 L N -1.024 120.155 121.223 -0.074 0.000 2.127 341 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 341 L C 2.569 179.394 176.870 -0.075 0.000 1.089 341 L CA 1.184 55.981 54.840 -0.072 0.000 0.757 341 L CB -0.176 41.847 42.059 -0.060 0.000 0.899 341 L HN 0.444 nan 8.230 nan 0.000 0.434 342 Q N -0.240 119.520 119.800 -0.067 0.000 2.079 342 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 342 Q C 2.083 178.043 176.000 -0.066 0.000 0.974 342 Q CA 1.536 57.306 55.803 -0.056 0.000 0.840 342 Q CB -0.210 28.502 28.738 -0.043 0.000 0.898 342 Q HN 0.489 nan 8.270 nan 0.000 0.430 343 L N -0.374 120.798 121.223 -0.085 0.000 2.275 343 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 343 L C 2.013 178.729 176.870 -0.258 0.000 1.119 343 L CA 1.107 55.874 54.840 -0.122 0.000 0.790 343 L CB -0.516 41.474 42.059 -0.115 0.000 0.919 343 L HN 0.245 nan 8.230 nan 0.000 0.443 344 T N -0.758 113.671 114.554 -0.208 0.000 2.737 344 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 344 T C 2.085 176.680 174.700 -0.175 0.000 1.040 344 T CA 1.800 63.773 62.100 -0.212 0.000 1.142 344 T CB -0.107 68.680 68.868 -0.134 0.000 0.861 344 T HN 0.348 nan 8.240 nan 0.000 0.456 345 S N 0.493 116.124 115.700 -0.114 0.000 2.419 345 S HA -0.042 4.428 4.470 -0.000 0.000 0.235 345 S C 2.110 176.677 174.600 -0.054 0.000 1.019 345 S CA 1.105 59.264 58.200 -0.069 0.000 0.982 345 S CB -0.370 62.807 63.200 -0.038 0.000 0.789 345 S HN 0.660 nan 8.310 nan 0.000 0.490 346 G N 0.095 108.860 108.800 -0.058 0.000 3.126 346 G HA2 0.316 4.276 3.960 -0.000 0.000 0.224 346 G HA3 0.316 4.276 3.960 -0.000 0.000 0.224 346 G C 0.271 175.193 174.900 0.038 0.000 1.142 346 G CA -0.376 44.751 45.100 0.044 0.000 0.759 346 G HN 0.316 nan 8.290 nan 0.000 0.550 347 M N 1.088 120.563 119.600 -0.209 0.000 2.241 347 M HA 0.251 4.731 4.480 -0.000 0.000 0.335 347 M C -0.267 175.985 176.300 -0.080 0.000 1.122 347 M CA -0.142 55.027 55.300 -0.218 0.000 1.164 347 M CB 1.893 34.255 32.600 -0.396 0.000 1.459 347 M HN -0.246 nan 8.290 nan 0.000 0.461 348 V N 2.779 122.654 119.914 -0.064 0.000 2.465 348 V HA 0.196 4.316 4.120 -0.000 0.000 0.279 348 V C 0.067 176.147 176.094 -0.024 0.000 1.045 348 V CA -0.599 61.644 62.300 -0.095 0.000 0.938 348 V CB 1.008 32.685 31.823 -0.244 0.000 0.986 348 V HN 0.802 nan 8.190 nan 0.000 0.467 349 Q N 2.059 121.837 119.800 -0.037 0.000 2.180 349 Q HA 0.725 5.065 4.340 -0.000 0.000 0.241 349 Q C 0.067 176.047 176.000 -0.033 0.000 0.970 349 Q CA -0.521 55.258 55.803 -0.040 0.000 0.919 349 Q CB 2.073 30.763 28.738 -0.080 0.000 1.222 349 Q HN 0.971 nan 8.270 nan 0.000 0.482 350 T N -2.743 111.781 114.554 -0.050 0.000 2.841 350 T HA 0.442 4.792 4.350 -0.000 0.000 0.296 350 T C -0.999 173.625 174.700 -0.127 0.000 1.166 350 T CA -0.858 61.227 62.100 -0.024 0.000 1.007 350 T CB 0.953 69.863 68.868 0.070 0.000 1.253 350 T HN 0.530 nan 8.240 nan 0.000 0.511 351 H N -0.625 118.475 119.070 0.050 0.000 2.488 351 H HA 0.627 5.183 4.556 0.000 0.000 0.347 351 H C 0.580 175.944 175.328 0.060 0.000 1.174 351 H CA -0.068 56.008 56.048 0.046 0.000 1.307 351 H CB 1.328 31.113 29.762 0.039 0.000 1.517 351 H HN 0.721 nan 8.280 nan 0.000 0.554 352 V N -0.223 119.796 119.914 0.176 0.000 2.973 352 V HA 0.232 4.352 4.120 -0.000 0.000 0.314 352 V C 0.991 177.174 176.094 0.147 0.000 1.066 352 V CA -0.620 61.772 62.300 0.152 0.000 1.021 352 V CB 1.556 33.458 31.823 0.131 0.000 1.076 352 V HN 0.847 nan 8.190 nan 0.000 0.462 353 T N 1.234 115.862 114.554 0.124 0.000 3.014 353 T HA 0.124 4.474 4.350 -0.000 0.000 0.263 353 T C 0.731 175.460 174.700 0.048 0.000 1.078 353 T CA 1.449 63.590 62.100 0.068 0.000 1.135 353 T CB -0.221 68.662 68.868 0.025 0.000 0.895 353 T HN 1.097 nan 8.240 nan 0.000 0.480 354 T N -1.565 113.032 114.554 0.071 0.000 2.864 354 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 354 T C -2.397 172.346 174.700 0.073 0.000 1.082 354 T CA -1.660 60.474 62.100 0.057 0.000 1.009 354 T CB 1.587 70.482 68.868 0.045 0.000 1.234 354 T HN -0.306 nan 8.240 nan 0.000 0.526 355 P HA 0.115 nan 4.420 nan 0.000 0.215 355 P C 1.673 179.008 177.300 0.058 0.000 1.157 355 P CA 0.954 64.085 63.100 0.051 0.000 0.859 355 P CB -0.382 31.340 31.700 0.037 0.000 0.786 356 G N -0.918 107.920 108.800 0.064 0.000 2.882 356 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.206 356 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.206 356 G C 1.401 176.366 174.900 0.108 0.000 1.155 356 G CA 0.218 45.361 45.100 0.070 0.000 0.800 356 G HN 0.149 nan 8.290 nan 0.000 0.524 357 S N 0.567 116.358 115.700 0.152 0.000 2.348 357 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 357 S C 2.352 176.976 174.600 0.040 0.000 1.033 357 S CA 0.533 58.874 58.200 0.235 0.000 1.010 357 S CB -0.115 63.263 63.200 0.297 0.000 0.891 357 S HN 0.281 nan 8.310 nan 0.000 0.442 358 I N 2.080 122.669 120.570 0.031 0.000 2.113 358 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 358 I C -0.754 175.343 176.117 -0.033 0.000 1.064 358 I CA 1.765 63.058 61.300 -0.011 0.000 1.320 358 I CB -2.775 35.225 38.000 0.000 0.000 1.028 358 I HN 0.207 nan 8.210 nan 0.000 0.406 359 P HA -0.085 nan 4.420 nan 0.000 0.216 359 P C 1.823 179.104 177.300 -0.032 0.000 1.153 359 P CA 1.631 64.721 63.100 -0.017 0.000 0.848 359 P CB -0.111 31.589 31.700 0.002 0.000 0.787 360 T N -0.439 114.095 114.554 -0.033 0.000 2.708 360 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 360 T C 1.780 176.397 174.700 -0.138 0.000 1.037 360 T CA 1.124 63.190 62.100 -0.056 0.000 1.146 360 T CB -0.930 67.936 68.868 -0.004 0.000 0.865 360 T HN 0.051 nan 8.240 nan 0.000 0.435 361 I N 0.447 120.891 120.570 -0.210 0.000 2.226 361 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 361 I C 2.835 178.874 176.117 -0.129 0.000 1.100 361 I CA 0.734 61.910 61.300 -0.207 0.000 1.374 361 I CB -0.370 37.517 38.000 -0.188 0.000 1.057 361 I HN 0.362 nan 8.210 nan 0.000 0.413 362 C N 1.160 120.400 119.300 -0.099 0.000 2.413 362 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 362 C C 2.472 177.424 174.990 -0.064 0.000 1.236 362 C CA 1.575 60.544 59.018 -0.082 0.000 1.735 362 C CB -1.035 26.670 27.740 -0.058 0.000 2.031 362 C HN 0.507 nan 8.230 nan 0.000 0.474 363 D N 0.196 120.568 120.400 -0.046 0.000 2.178 363 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 363 D C 1.849 178.140 176.300 -0.015 0.000 0.980 363 D CA 0.925 54.910 54.000 -0.025 0.000 0.842 363 D CB -0.562 40.230 40.800 -0.013 0.000 0.948 363 D HN 0.517 nan 8.370 nan 0.000 0.472 364 L N 0.654 121.861 121.223 -0.026 0.000 2.005 364 L HA -0.069 4.271 4.340 -0.000 0.000 0.207 364 L C 2.136 179.018 176.870 0.020 0.000 1.072 364 L CA 1.897 56.741 54.840 0.007 0.000 0.744 364 L CB -0.600 41.454 42.059 -0.008 0.000 0.895 364 L HN -0.013 nan 8.230 nan 0.000 0.433 365 A N -0.234 122.547 122.820 -0.066 0.000 1.908 365 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 365 A C 2.424 179.977 177.584 -0.051 0.000 1.181 365 A CA 2.065 54.018 52.037 -0.140 0.000 0.627 365 A CB -0.631 18.222 19.000 -0.246 0.000 0.818 365 A HN 0.538 nan 8.150 nan 0.000 0.445 366 R N -1.238 119.243 120.500 -0.032 0.000 2.075 366 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 366 R C 2.287 178.604 176.300 0.028 0.000 1.126 366 R CA 1.731 57.828 56.100 -0.005 0.000 0.963 366 R CB -0.594 29.698 30.300 -0.014 0.000 0.858 366 R HN 0.528 nan 8.270 nan 0.000 0.435 367 T N 0.908 115.484 114.554 0.036 0.000 2.777 367 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 367 T C 1.327 176.062 174.700 0.059 0.000 1.040 367 T CA 1.179 63.300 62.100 0.036 0.000 1.141 367 T CB -0.291 68.595 68.868 0.030 0.000 0.868 367 T HN 0.152 nan 8.240 nan 0.000 0.444 368 F N 2.517 122.429 119.950 -0.063 0.000 2.069 368 F HA -0.048 4.479 4.527 0.000 0.000 0.298 368 F C 2.475 178.221 175.800 -0.090 0.000 1.113 368 F CA 1.069 59.025 58.000 -0.073 0.000 1.214 368 F CB -0.970 37.983 39.000 -0.079 0.000 0.978 368 F HN 0.146 nan 8.300 nan 0.000 0.474 369 A N 0.902 123.900 122.820 0.295 0.000 1.869 369 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 369 A C 2.450 180.056 177.584 0.037 0.000 1.203 369 A CA 2.307 54.434 52.037 0.149 0.000 0.638 369 A CB -1.176 17.860 19.000 0.061 0.000 0.831 369 A HN 0.526 nan 8.150 nan 0.000 0.450 370 R N -0.371 120.140 120.500 0.018 0.000 2.103 370 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 370 R C 2.223 178.497 176.300 -0.044 0.000 1.142 370 R CA 2.115 58.209 56.100 -0.010 0.000 0.960 370 R CB -0.288 30.009 30.300 -0.005 0.000 0.858 370 R HN 0.750 nan 8.270 nan 0.000 0.439 371 E N -0.593 119.559 120.200 -0.080 0.000 2.140 371 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 371 E C 1.746 178.246 176.600 -0.167 0.000 0.973 371 E CA 0.748 57.080 56.400 -0.113 0.000 0.829 371 E CB 0.180 29.807 29.700 -0.121 0.000 0.781 371 E HN 0.383 nan 8.360 nan 0.000 0.466 372 M N -0.056 119.379 119.600 -0.274 0.000 2.461 372 M HA 0.212 4.692 4.480 -0.000 0.000 0.255 372 M C 0.844 177.000 176.300 -0.239 0.000 1.137 372 M CA 0.093 55.188 55.300 -0.342 0.000 1.086 372 M CB 1.383 33.569 32.600 -0.691 0.000 1.356 372 M HN -0.016 nan 8.290 nan 0.000 0.487 373 G N 0.257 108.979 108.800 -0.131 0.000 2.370 373 G HA2 0.118 4.078 3.960 -0.000 0.000 0.272 373 G HA3 0.118 4.078 3.960 -0.000 0.000 0.272 373 G C 0.188 175.058 174.900 -0.050 0.000 1.208 373 G CA -0.255 44.809 45.100 -0.061 0.000 0.856 373 G HN 0.320 nan 8.290 nan 0.000 0.500 374 E N 0.703 120.879 120.200 -0.040 0.000 2.299 374 E HA 0.343 4.693 4.350 -0.000 0.000 0.193 374 E C 1.134 177.734 176.600 -0.000 0.000 0.998 374 E CA 0.804 57.190 56.400 -0.023 0.000 0.851 374 E CB 0.232 29.923 29.700 -0.015 0.000 0.795 374 E HN 0.689 nan 8.360 nan 0.000 0.492 375 A N 0.000 122.830 122.820 0.016 0.000 2.254 375 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 375 A CA 0.000 nan 52.037 nan 0.000 0.836 375 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486