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 3mem_1_A DATA FIRST_RESID 2 DATA SEQUENCE ELPVVVQQAL GDNAPGVSFR SVSQIDTGHL LRXVLLSDDQ GNLQAICRRN DATA SEQUENCE DXLDLEALNK RLGRDLRXXQ RREQVRVRQK AGLQELPALP SLTGWPTVVD DATA SEQUENCE RRVDELEAVA LELGEQDLGL XXPAEDFRQL TAKAARHDFA VDTANISVNL DATA SEQUENCE DNHAADRDQL HSAIKRFTGL RIQQRLEDTL ELPPLPETAQ RIIHLRVNPN DATA SEQUENCE AVXGDLVDVV ESDPSLAAQV VSWASSSFYA AAGRVHSVHD AVSRVLGFDL DATA SEQUENCE VXNLAXGLAL GRALKHPQDH PDGYVDYWQQ AIWQAQSAGI LASXXPRGQR DATA SEQUENCE PLFGLAYLAG LLHNFGHLVL AQVFPPHFKL VCRSLEVSPH IDSSVIEHYL DATA SEQUENCE LGITREQIAA QLXENWGXPD EVTLAIRYQK NPAYDGPHNV YARLLWLGRQ DATA SEQUENCE LLTERGVALG AGESATQAVY DELGLDRELV QEQFDELVRR KDSIXAXAGX DATA SEQUENCE XSQ 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.696 176.600 0.160 0.000 1.382 2 E CA 0.000 56.526 56.400 0.210 0.000 0.976 2 E CB 0.000 29.882 29.700 0.303 0.000 0.812 3 L N 2.722 123.889 121.223 -0.094 0.000 2.397 3 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 3 L C -2.165 174.579 176.870 -0.211 0.000 1.148 3 L CA -1.655 52.935 54.840 -0.417 0.000 0.825 3 L CB 1.149 42.932 42.059 -0.460 0.000 1.117 3 L HN 0.283 nan 8.230 nan 0.000 0.456 4 P HA -0.073 nan 4.420 nan 0.000 0.266 4 P C 0.855 178.097 177.300 -0.097 0.000 1.195 4 P CA -0.247 62.792 63.100 -0.103 0.000 0.768 4 P CB 0.561 32.208 31.700 -0.087 0.000 0.838 5 V N 1.978 121.855 119.914 -0.062 0.000 2.469 5 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 5 V C 1.867 177.924 176.094 -0.062 0.000 1.064 5 V CA 1.921 64.187 62.300 -0.056 0.000 1.066 5 V CB -1.422 30.378 31.823 -0.038 0.000 0.667 5 V HN 0.379 nan 8.190 nan 0.000 0.461 6 V N -0.222 119.654 119.914 -0.062 0.000 2.427 6 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 6 V C 2.525 178.572 176.094 -0.077 0.000 1.051 6 V CA 2.325 64.585 62.300 -0.065 0.000 1.048 6 V CB 0.162 31.948 31.823 -0.060 0.000 0.666 6 V HN 0.486 nan 8.190 nan 0.000 0.456 7 V N -0.475 119.383 119.914 -0.094 0.000 2.323 7 V HA -0.271 3.849 4.120 -0.000 0.000 0.244 7 V C 2.400 178.433 176.094 -0.102 0.000 1.041 7 V CA 2.225 64.461 62.300 -0.107 0.000 1.025 7 V CB -0.721 31.009 31.823 -0.156 0.000 0.656 7 V HN 0.566 nan 8.190 nan 0.000 0.451 8 Q N -0.391 119.344 119.800 -0.107 0.000 2.062 8 Q HA -0.354 3.986 4.340 -0.000 0.000 0.209 8 Q C 2.398 178.359 176.000 -0.064 0.000 0.996 8 Q CA 2.402 58.155 55.803 -0.084 0.000 0.859 8 Q CB -0.274 28.420 28.738 -0.074 0.000 0.920 8 Q HN 0.566 nan 8.270 nan 0.000 0.415 9 Q N 0.166 119.929 119.800 -0.061 0.000 2.135 9 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 9 Q C 1.738 177.704 176.000 -0.056 0.000 0.981 9 Q CA 1.942 57.712 55.803 -0.054 0.000 0.856 9 Q CB -0.370 28.336 28.738 -0.054 0.000 0.902 9 Q HN 0.405 nan 8.270 nan 0.000 0.425 10 A N -0.404 122.378 122.820 -0.063 0.000 1.929 10 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 10 A C 2.045 179.597 177.584 -0.053 0.000 1.176 10 A CA 1.095 53.095 52.037 -0.062 0.000 0.628 10 A CB -0.515 18.446 19.000 -0.065 0.000 0.816 10 A HN 0.434 nan 8.150 nan 0.000 0.444 11 L N -1.182 120.010 121.223 -0.051 0.000 2.109 11 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 11 L C 2.019 178.866 176.870 -0.037 0.000 1.086 11 L CA 0.545 55.360 54.840 -0.041 0.000 0.760 11 L CB -1.195 40.840 42.059 -0.041 0.000 0.910 11 L HN 0.621 nan 8.230 nan 0.000 0.437 12 G N 0.722 109.499 108.800 -0.039 0.000 2.614 12 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.303 12 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.303 12 G C 0.069 174.953 174.900 -0.026 0.000 1.270 12 G CA 0.554 45.634 45.100 -0.032 0.000 0.988 12 G HN 0.344 nan 8.290 nan 0.000 0.551 13 D N 1.246 121.633 120.400 -0.022 0.000 2.388 13 D HA 0.188 4.828 4.640 -0.000 0.000 0.221 13 D C 1.602 177.893 176.300 -0.014 0.000 1.133 13 D CA 0.104 54.095 54.000 -0.016 0.000 0.831 13 D CB -0.254 40.538 40.800 -0.013 0.000 0.962 13 D HN 0.447 nan 8.370 nan 0.000 0.502 14 N N 0.181 118.871 118.700 -0.018 0.000 2.336 14 N HA 0.149 4.889 4.740 -0.000 0.000 0.189 14 N C 0.242 175.748 175.510 -0.007 0.000 1.113 14 N CA 0.062 53.101 53.050 -0.018 0.000 0.858 14 N CB 0.788 39.257 38.487 -0.031 0.000 0.970 14 N HN -0.033 nan 8.380 nan 0.000 0.471 15 A N 0.882 123.700 122.820 -0.002 0.000 3.030 15 A HA 0.353 4.673 4.320 -0.000 0.000 0.335 15 A C -1.881 175.711 177.584 0.014 0.000 1.089 15 A CA -1.015 51.029 52.037 0.012 0.000 0.807 15 A CB 0.619 19.628 19.000 0.015 0.000 1.099 15 A HN -0.041 nan 8.150 nan 0.000 0.474 16 P HA 0.023 nan 4.420 nan 0.000 0.224 16 P C 1.184 178.498 177.300 0.023 0.000 1.157 16 P CA 1.431 64.540 63.100 0.016 0.000 0.799 16 P CB 0.265 31.973 31.700 0.013 0.000 0.809 17 G N 0.124 108.942 108.800 0.030 0.000 3.371 17 G HA2 0.140 4.100 3.960 -0.000 0.000 0.248 17 G HA3 0.140 4.100 3.960 -0.000 0.000 0.248 17 G C 0.035 174.962 174.900 0.045 0.000 1.161 17 G CA -0.099 45.022 45.100 0.036 0.000 0.796 17 G HN 0.237 nan 8.290 nan 0.000 0.539 18 V N 1.042 120.983 119.914 0.046 0.000 2.572 18 V HA 0.514 4.634 4.120 -0.000 0.000 0.291 18 V C -0.021 176.118 176.094 0.074 0.000 1.039 18 V CA -0.027 62.307 62.300 0.057 0.000 1.055 18 V CB 1.589 33.436 31.823 0.041 0.000 0.969 18 V HN 0.151 nan 8.190 nan 0.000 0.482 19 S N 7.084 122.840 115.700 0.093 0.000 2.640 19 S HA 0.433 4.903 4.470 -0.000 0.000 0.320 19 S C -0.902 173.803 174.600 0.175 0.000 1.097 19 S CA -0.614 57.650 58.200 0.106 0.000 1.092 19 S CB 0.588 63.827 63.200 0.065 0.000 0.988 19 S HN 0.682 nan 8.310 nan 0.000 0.470 20 F N 7.471 127.424 119.950 0.005 0.000 2.406 20 F HA 0.543 5.070 4.527 -0.000 0.000 0.358 20 F C 0.089 175.889 175.800 -0.001 0.000 1.161 20 F CA -0.926 57.076 58.000 0.004 0.000 1.185 20 F CB -0.097 38.906 39.000 0.004 0.000 1.421 20 F HN 0.736 nan 8.300 nan 0.000 0.576 21 R N 2.837 123.284 120.500 -0.090 0.000 2.888 21 R HA 0.572 4.912 4.340 -0.000 0.000 0.264 21 R C -0.924 175.269 176.300 -0.180 0.000 1.045 21 R CA -0.850 55.141 56.100 -0.182 0.000 0.962 21 R CB 1.586 31.842 30.300 -0.073 0.000 1.210 21 R HN 0.403 nan 8.270 nan 0.000 0.479 22 S N 1.163 116.764 115.700 -0.164 0.000 2.516 22 S HA 0.112 4.582 4.470 -0.000 0.000 0.282 22 S C 0.040 174.601 174.600 -0.064 0.000 1.286 22 S CA -0.536 57.596 58.200 -0.112 0.000 1.066 22 S CB 0.391 63.531 63.200 -0.100 0.000 0.884 22 S HN 0.375 nan 8.310 nan 0.000 0.491 23 V N 5.903 125.794 119.914 -0.039 0.000 2.599 23 V HA 0.333 4.453 4.120 -0.000 0.000 0.300 23 V C 0.754 176.826 176.094 -0.037 0.000 1.034 23 V CA 0.834 63.118 62.300 -0.026 0.000 1.115 23 V CB 0.344 32.160 31.823 -0.012 0.000 0.934 23 V HN 1.058 nan 8.190 nan 0.000 0.485 24 S N 3.122 118.797 115.700 -0.042 0.000 2.880 24 S HA 0.528 4.998 4.470 -0.000 0.000 0.308 24 S C 0.960 175.531 174.600 -0.049 0.000 1.195 24 S CA 0.170 58.343 58.200 -0.045 0.000 0.866 24 S CB 1.501 64.671 63.200 -0.049 0.000 1.254 24 S HN 0.811 nan 8.310 nan 0.000 0.571 25 Q N -0.618 119.153 119.800 -0.048 0.000 2.443 25 Q HA 0.192 4.532 4.340 -0.000 0.000 0.213 25 Q C 1.412 177.369 176.000 -0.071 0.000 0.982 25 Q CA 1.647 57.420 55.803 -0.050 0.000 0.894 25 Q CB -2.025 26.688 28.738 -0.041 0.000 0.947 25 Q HN 1.831 nan 8.270 nan 0.000 0.480 26 I N 1.809 122.323 120.570 -0.094 0.000 2.752 26 I HA 0.449 4.619 4.170 -0.000 0.000 0.286 26 I C 0.635 176.647 176.117 -0.174 0.000 1.180 26 I CA -0.165 61.039 61.300 -0.161 0.000 1.404 26 I CB -1.832 36.063 38.000 -0.176 0.000 1.389 26 I HN 0.766 nan 8.210 nan 0.000 0.549 27 D N 3.260 123.540 120.400 -0.199 0.000 2.795 27 D HA 0.078 4.718 4.640 -0.000 0.000 0.221 27 D C 1.438 177.735 176.300 -0.005 0.000 1.108 27 D CA 0.768 54.727 54.000 -0.068 0.000 0.832 27 D CB 0.084 40.903 40.800 0.031 0.000 1.183 27 D HN 1.328 nan 8.370 nan 0.000 0.503 28 T N 0.634 115.192 114.554 0.007 0.000 2.946 28 T HA 0.013 4.363 4.350 -0.000 0.000 0.271 28 T C 2.224 176.951 174.700 0.044 0.000 1.104 28 T CA 2.114 64.223 62.100 0.014 0.000 1.114 28 T CB -0.586 68.279 68.868 -0.005 0.000 0.867 28 T HN 0.755 nan 8.240 nan 0.000 0.513 29 G N -1.151 107.702 108.800 0.089 0.000 2.679 29 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 29 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 29 G C 1.012 175.973 174.900 0.102 0.000 1.137 29 G CA 0.262 45.417 45.100 0.092 0.000 0.787 29 G HN 0.561 nan 8.290 nan 0.000 0.534 30 H N -0.802 118.238 119.070 -0.050 0.000 2.575 30 H HA 0.346 4.902 4.556 0.000 0.000 0.267 30 H C 0.865 176.148 175.328 -0.075 0.000 0.966 30 H CA -0.450 55.560 56.048 -0.064 0.000 1.165 30 H CB 0.220 29.951 29.762 -0.051 0.000 1.433 30 H HN 0.168 nan 8.280 nan 0.000 0.544 31 L N 1.431 122.679 121.223 0.042 0.000 2.397 31 L HA 0.188 4.528 4.340 -0.000 0.000 0.271 31 L C -0.126 176.722 176.870 -0.037 0.000 1.148 31 L CA -0.061 54.781 54.840 0.003 0.000 0.825 31 L CB 0.907 42.971 42.059 0.007 0.000 1.117 31 L HN 0.057 nan 8.230 nan 0.000 0.456 32 L N 3.056 124.254 121.223 -0.042 0.000 2.331 32 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 32 L C -0.106 176.772 176.870 0.013 0.000 1.015 32 L CA -0.787 54.025 54.840 -0.046 0.000 0.807 32 L CB 1.962 43.963 42.059 -0.098 0.000 1.293 32 L HN 0.640 nan 8.230 nan 0.000 0.451 36 L N 5.143 126.427 121.223 0.101 0.000 2.265 36 L HA 0.666 5.006 4.340 -0.000 0.000 0.288 36 L C -0.526 176.352 176.870 0.014 0.000 1.058 36 L CA -0.158 54.750 54.840 0.113 0.000 0.809 36 L CB 0.962 43.139 42.059 0.196 0.000 1.179 36 L HN 0.431 nan 8.230 nan 0.000 0.429 37 L N 2.602 123.795 121.223 -0.050 0.000 2.309 37 L HA 0.772 5.112 4.340 -0.000 0.000 0.261 37 L C -0.212 176.555 176.870 -0.173 0.000 1.021 37 L CA -0.496 54.286 54.840 -0.096 0.000 0.823 37 L CB 2.367 44.371 42.059 -0.093 0.000 1.366 37 L HN 0.736 nan 8.230 nan 0.000 0.423 38 S N -0.998 114.610 115.700 -0.154 0.000 2.588 38 S HA 0.785 5.255 4.470 -0.000 0.000 0.269 38 S C -1.757 172.764 174.600 -0.131 0.000 1.157 38 S CA -0.880 57.213 58.200 -0.179 0.000 0.824 38 S CB 2.629 65.705 63.200 -0.207 0.000 1.126 38 S HN 0.743 nan 8.310 nan 0.000 0.464 39 D N -0.710 119.613 120.400 -0.127 0.000 2.895 39 D HA 0.391 5.031 4.640 -0.000 0.000 0.320 39 D C -0.249 175.996 176.300 -0.091 0.000 1.249 39 D CA -0.456 53.485 54.000 -0.097 0.000 0.997 39 D CB -0.388 40.359 40.800 -0.089 0.000 1.430 39 D HN 0.277 nan 8.370 nan 0.000 0.558 40 D N -0.646 119.711 120.400 -0.071 0.000 2.218 40 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 40 D C 1.514 177.777 176.300 -0.062 0.000 0.976 40 D CA 1.188 55.152 54.000 -0.060 0.000 0.853 40 D CB 0.042 40.815 40.800 -0.046 0.000 0.939 40 D HN 0.410 nan 8.370 nan 0.000 0.481 41 Q N -0.411 119.348 119.800 -0.068 0.000 2.472 41 Q HA 0.270 4.610 4.340 -0.000 0.000 0.208 41 Q C 0.909 176.860 176.000 -0.082 0.000 0.958 41 Q CA 0.495 56.259 55.803 -0.065 0.000 0.932 41 Q CB 0.652 29.354 28.738 -0.060 0.000 1.007 41 Q HN 0.222 nan 8.270 nan 0.000 0.508 42 G N 0.352 109.085 108.800 -0.113 0.000 2.316 42 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.349 42 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.349 42 G C -1.515 173.242 174.900 -0.238 0.000 1.274 42 G CA -1.035 43.969 45.100 -0.160 0.000 1.018 42 G HN 0.053 nan 8.290 nan 0.000 0.486 43 N N -0.438 118.039 118.700 -0.372 0.000 2.492 43 N HA 0.785 5.525 4.740 -0.000 0.000 0.289 43 N C -0.547 174.730 175.510 -0.388 0.000 1.133 43 N CA -0.175 52.526 53.050 -0.581 0.000 0.961 43 N CB 1.954 39.660 38.487 -1.300 0.000 1.186 43 N HN 0.885 nan 8.380 nan 0.000 0.493 44 L N 0.492 121.545 121.223 -0.283 0.000 2.545 44 L HA 0.286 4.626 4.340 -0.000 0.000 0.258 44 L C -1.442 175.431 176.870 0.004 0.000 0.942 44 L CA -0.659 54.131 54.840 -0.084 0.000 0.855 44 L CB 1.822 43.826 42.059 -0.092 0.000 1.374 44 L HN 0.541 nan 8.230 nan 0.000 0.411 45 Q N 3.871 123.738 119.800 0.111 0.000 2.316 45 Q HA 0.838 5.178 4.340 -0.000 0.000 0.264 45 Q C -1.338 174.724 176.000 0.104 0.000 0.987 45 Q CA -0.855 55.035 55.803 0.144 0.000 0.852 45 Q CB 2.530 31.412 28.738 0.240 0.000 1.287 45 Q HN 0.709 nan 8.270 nan 0.000 0.448 46 A N 4.538 127.420 122.820 0.104 0.000 2.318 46 A HA 0.656 4.976 4.320 -0.000 0.000 0.317 46 A C -0.729 177.012 177.584 0.260 0.000 1.159 46 A CA -0.852 51.272 52.037 0.145 0.000 0.799 46 A CB 0.737 19.740 19.000 0.005 0.000 1.194 46 A HN 0.815 nan 8.150 nan 0.000 0.479 47 I N 2.491 123.264 120.570 0.338 0.000 2.377 47 I HA 0.517 4.687 4.170 -0.000 0.000 0.293 47 I C 0.070 176.318 176.117 0.218 0.000 0.987 47 I CA -0.392 61.068 61.300 0.267 0.000 1.185 47 I CB 1.479 39.655 38.000 0.293 0.000 1.341 47 I HN 0.903 nan 8.210 nan 0.000 0.455 48 C N 3.468 122.835 119.300 0.111 0.000 3.291 48 C HA 0.576 5.036 4.460 -0.000 0.000 0.316 48 C C -0.267 174.701 174.990 -0.036 0.000 1.391 48 C CA -1.284 57.726 59.018 -0.014 0.000 1.394 48 C CB 1.817 29.535 27.740 -0.037 0.000 1.744 48 C HN 0.783 nan 8.230 nan 0.000 0.461 49 R N 1.005 121.454 120.500 -0.085 0.000 2.570 49 R HA 0.116 4.456 4.340 -0.000 0.000 0.277 49 R C 1.617 177.894 176.300 -0.038 0.000 1.039 49 R CA 0.071 56.125 56.100 -0.077 0.000 1.065 49 R CB 0.478 30.721 30.300 -0.094 0.000 0.964 49 R HN 0.818 nan 8.270 nan 0.000 0.428 50 R N 2.042 122.527 120.500 -0.024 0.000 2.112 50 R HA -0.211 4.129 4.340 -0.000 0.000 0.242 50 R C 0.947 177.250 176.300 0.005 0.000 1.137 50 R CA 1.985 58.086 56.100 0.001 0.000 0.944 50 R CB 0.005 30.304 30.300 -0.002 0.000 0.857 50 R HN 0.559 nan 8.270 nan 0.000 0.435 51 N N 0.638 119.332 118.700 -0.011 0.000 2.467 51 N HA -0.029 4.711 4.740 -0.000 0.000 0.184 51 N C -0.330 175.169 175.510 -0.017 0.000 1.106 51 N CA 0.484 53.530 53.050 -0.007 0.000 0.892 51 N CB -0.057 38.423 38.487 -0.011 0.000 0.969 51 N HN 0.221 nan 8.380 nan 0.000 0.454 55 D N 4.570 125.015 120.400 0.075 0.000 2.500 55 D HA 0.162 4.802 4.640 -0.000 0.000 0.219 55 D C 0.847 177.201 176.300 0.089 0.000 1.137 55 D CA -0.362 53.675 54.000 0.063 0.000 0.946 55 D CB 1.253 42.110 40.800 0.095 0.000 1.022 55 D HN 0.467 nan 8.370 nan 0.000 0.518 56 L N 3.383 124.624 121.223 0.031 0.000 2.043 56 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 56 L C 2.110 178.966 176.870 -0.025 0.000 1.075 56 L CA 1.739 56.567 54.840 -0.020 0.000 0.752 56 L CB -0.685 41.349 42.059 -0.042 0.000 0.891 56 L HN 0.452 nan 8.230 nan 0.000 0.432 57 E N -0.546 119.654 120.200 0.001 0.000 2.070 57 E HA -0.240 4.110 4.350 -0.000 0.000 0.197 57 E C 2.118 178.725 176.600 0.011 0.000 1.004 57 E CA 1.777 58.176 56.400 -0.001 0.000 0.805 57 E CB -0.307 29.404 29.700 0.017 0.000 0.744 57 E HN 0.470 nan 8.360 nan 0.000 0.451 58 A N 0.207 123.061 122.820 0.056 0.000 1.873 58 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 58 A C 2.219 179.817 177.584 0.022 0.000 1.186 58 A CA 1.489 53.570 52.037 0.073 0.000 0.616 58 A CB -0.841 18.248 19.000 0.148 0.000 0.823 58 A HN 0.390 nan 8.150 nan 0.000 0.442 59 L N 0.420 121.634 121.223 -0.015 0.000 2.017 59 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 59 L C 1.903 178.661 176.870 -0.187 0.000 1.073 59 L CA 2.208 56.939 54.840 -0.182 0.000 0.745 59 L CB -0.799 41.040 42.059 -0.367 0.000 0.894 59 L HN 0.325 nan 8.230 nan 0.000 0.432 60 N N 0.048 118.671 118.700 -0.128 0.000 2.084 60 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 60 N C 1.779 177.231 175.510 -0.097 0.000 1.030 60 N CA 1.529 54.511 53.050 -0.114 0.000 0.849 60 N CB -0.212 38.222 38.487 -0.088 0.000 1.012 60 N HN 0.418 nan 8.380 nan 0.000 0.423 61 K N 0.551 120.910 120.400 -0.069 0.000 2.032 61 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 61 K C 2.118 178.675 176.600 -0.071 0.000 1.048 61 K CA 1.069 57.324 56.287 -0.052 0.000 0.927 61 K CB -0.097 32.388 32.500 -0.025 0.000 0.712 61 K HN -0.020 nan 8.250 nan 0.000 0.441 62 R N 1.278 121.717 120.500 -0.100 0.000 2.096 62 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 62 R C 1.721 177.892 176.300 -0.215 0.000 1.127 62 R CA 1.350 57.358 56.100 -0.154 0.000 0.968 62 R CB -0.178 29.988 30.300 -0.223 0.000 0.861 62 R HN 0.175 nan 8.270 nan 0.000 0.440 63 L N -1.352 119.738 121.223 -0.221 0.000 2.616 63 L HA 0.331 4.671 4.340 -0.000 0.000 0.229 63 L C 0.813 177.619 176.870 -0.106 0.000 1.110 63 L CA 0.265 54.994 54.840 -0.185 0.000 0.884 63 L CB 0.265 42.201 42.059 -0.205 0.000 1.115 63 L HN 0.486 nan 8.230 nan 0.000 0.481 64 G N 1.557 110.302 108.800 -0.090 0.000 2.272 64 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 64 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 64 G C 0.165 175.025 174.900 -0.066 0.000 1.067 64 G CA 0.207 45.269 45.100 -0.064 0.000 0.902 64 G HN 0.375 nan 8.290 nan 0.000 0.500 65 R N -1.358 119.093 120.500 -0.081 0.000 3.018 65 R HA 0.631 4.971 4.340 -0.000 0.000 0.243 65 R C -0.961 175.291 176.300 -0.079 0.000 1.315 65 R CA -0.817 55.234 56.100 -0.081 0.000 1.039 65 R CB 0.982 31.224 30.300 -0.097 0.000 1.315 65 R HN 0.063 nan 8.270 nan 0.000 0.492 66 D N 0.811 121.163 120.400 -0.079 0.000 2.952 66 D HA 0.243 4.883 4.640 -0.000 0.000 0.373 66 D C -0.742 175.509 176.300 -0.081 0.000 1.360 66 D CA -0.160 53.795 54.000 -0.074 0.000 0.788 66 D CB 0.126 40.889 40.800 -0.062 0.000 1.192 66 D HN 0.265 nan 8.370 nan 0.000 0.462 67 L N 1.246 122.412 121.223 -0.095 0.000 2.461 67 L HA 0.382 4.722 4.340 -0.000 0.000 0.272 67 L C 1.025 177.841 176.870 -0.090 0.000 1.197 67 L CA 0.234 55.013 54.840 -0.102 0.000 0.836 67 L CB 0.513 42.500 42.059 -0.122 0.000 1.105 67 L HN 0.226 nan 8.230 nan 0.000 0.477 72 R N 1.858 122.375 120.500 0.027 0.000 2.113 72 R HA -0.192 4.148 4.340 -0.000 0.000 0.244 72 R C 1.819 178.144 176.300 0.041 0.000 1.142 72 R CA 2.615 58.737 56.100 0.036 0.000 0.953 72 R CB -0.068 30.255 30.300 0.038 0.000 0.860 72 R HN 0.642 nan 8.270 nan 0.000 0.438 73 R N 0.143 120.665 120.500 0.036 0.000 2.091 73 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 73 R C 2.118 178.448 176.300 0.050 0.000 1.136 73 R CA 2.139 58.262 56.100 0.039 0.000 0.959 73 R CB -0.323 29.996 30.300 0.031 0.000 0.856 73 R HN 0.447 nan 8.270 nan 0.000 0.437 74 E N -0.364 119.869 120.200 0.054 0.000 2.152 74 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 74 E C 1.966 178.642 176.600 0.127 0.000 0.983 74 E CA 0.892 57.343 56.400 0.086 0.000 0.818 74 E CB 0.209 29.947 29.700 0.064 0.000 0.758 74 E HN 0.521 nan 8.360 nan 0.000 0.467 75 Q N -0.209 119.653 119.800 0.103 0.000 2.137 75 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 75 Q C 2.316 178.368 176.000 0.087 0.000 0.960 75 Q CA 0.942 56.816 55.803 0.117 0.000 0.847 75 Q CB 0.213 29.006 28.738 0.090 0.000 0.915 75 Q HN 0.186 nan 8.270 nan 0.000 0.448 76 V N 1.373 121.326 119.914 0.066 0.000 2.332 76 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 76 V C 2.406 178.530 176.094 0.049 0.000 1.055 76 V CA 2.051 64.381 62.300 0.050 0.000 1.038 76 V CB -0.631 31.217 31.823 0.041 0.000 0.651 76 V HN 0.332 nan 8.190 nan 0.000 0.450 77 R N -0.261 120.275 120.500 0.060 0.000 2.073 77 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 77 R C 2.364 178.693 176.300 0.048 0.000 1.134 77 R CA 1.932 58.065 56.100 0.055 0.000 0.952 77 R CB -0.491 29.849 30.300 0.068 0.000 0.850 77 R HN 0.375 nan 8.270 nan 0.000 0.433 78 V N 1.093 121.049 119.914 0.070 0.000 2.427 78 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 78 V C 2.232 178.322 176.094 -0.006 0.000 1.051 78 V CA 1.616 63.929 62.300 0.022 0.000 1.048 78 V CB -0.328 31.515 31.823 0.034 0.000 0.666 78 V HN 0.376 nan 8.190 nan 0.000 0.456 79 R N -0.730 119.782 120.500 0.020 0.000 2.115 79 R HA -0.142 4.198 4.340 -0.000 0.000 0.226 79 R C 2.355 178.659 176.300 0.007 0.000 1.100 79 R CA 1.599 57.706 56.100 0.011 0.000 0.980 79 R CB -0.285 30.031 30.300 0.027 0.000 0.875 79 R HN 0.612 nan 8.270 nan 0.000 0.445 80 Q N 1.098 120.906 119.800 0.013 0.000 2.119 80 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 80 Q C 2.087 178.088 176.000 0.000 0.000 0.972 80 Q CA 1.384 57.193 55.803 0.010 0.000 0.847 80 Q CB 0.145 28.892 28.738 0.015 0.000 0.903 80 Q HN 0.122 nan 8.270 nan 0.000 0.433 81 K N -0.285 120.112 120.400 -0.006 0.000 2.057 81 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 81 K C 1.747 178.332 176.600 -0.026 0.000 1.050 81 K CA 1.161 57.439 56.287 -0.016 0.000 0.935 81 K CB -0.133 32.352 32.500 -0.024 0.000 0.715 81 K HN 0.230 nan 8.250 nan 0.000 0.439 82 A N 0.351 123.151 122.820 -0.033 0.000 2.168 82 A HA 0.081 4.401 4.320 -0.000 0.000 0.215 82 A C 1.342 178.911 177.584 -0.025 0.000 1.152 82 A CA 1.176 53.189 52.037 -0.039 0.000 0.716 82 A CB -0.590 18.380 19.000 -0.050 0.000 0.794 82 A HN 0.578 nan 8.150 nan 0.000 0.465 83 G N -1.409 107.383 108.800 -0.013 0.000 2.198 83 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 83 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 83 G C -0.073 174.827 174.900 0.000 0.000 1.025 83 G CA 0.632 45.729 45.100 -0.005 0.000 0.769 83 G HN 0.514 nan 8.290 nan 0.000 0.507 84 L N -0.905 120.318 121.223 0.001 0.000 2.354 84 L HA 0.441 4.781 4.340 -0.000 0.000 0.269 84 L C 1.291 178.171 176.870 0.016 0.000 1.005 84 L CA -1.275 53.570 54.840 0.008 0.000 0.819 84 L CB 1.614 43.674 42.059 0.001 0.000 1.311 84 L HN -0.067 nan 8.230 nan 0.000 0.423 85 Q N 0.613 120.426 119.800 0.022 0.000 2.245 85 Q HA 0.055 4.395 4.340 -0.000 0.000 0.201 85 Q C 0.037 176.056 176.000 0.032 0.000 0.955 85 Q CA 0.994 56.813 55.803 0.026 0.000 0.870 85 Q CB 0.584 29.338 28.738 0.027 0.000 0.945 85 Q HN 0.559 nan 8.270 nan 0.000 0.461 86 E N -0.065 120.155 120.200 0.033 0.000 2.321 86 E HA 0.305 4.655 4.350 -0.000 0.000 0.278 86 E C -1.263 175.358 176.600 0.036 0.000 0.902 86 E CA -0.330 56.094 56.400 0.041 0.000 0.758 86 E CB 1.616 31.346 29.700 0.051 0.000 1.213 86 E HN 0.028 nan 8.360 nan 0.000 0.426 87 L N 5.804 127.050 121.223 0.038 0.000 2.361 87 L HA 0.322 4.662 4.340 -0.000 0.000 0.278 87 L C -1.764 175.131 176.870 0.041 0.000 1.113 87 L CA -1.473 53.383 54.840 0.027 0.000 0.849 87 L CB 0.391 42.463 42.059 0.023 0.000 1.155 87 L HN 0.383 nan 8.230 nan 0.000 0.452 88 P HA 0.081 nan 4.420 nan 0.000 0.274 88 P C -0.536 176.805 177.300 0.067 0.000 1.256 88 P CA -0.632 62.499 63.100 0.052 0.000 0.795 88 P CB 0.886 32.611 31.700 0.042 0.000 1.038 89 A N 1.743 124.624 122.820 0.102 0.000 3.051 89 A HA 0.266 4.586 4.320 -0.000 0.000 0.257 89 A C 0.296 177.972 177.584 0.154 0.000 1.785 89 A CA -0.061 52.068 52.037 0.153 0.000 1.420 89 A CB -1.683 17.448 19.000 0.218 0.000 1.063 89 A HN 0.379 nan 8.150 nan 0.000 0.630 90 L N 0.893 122.159 121.223 0.071 0.000 2.318 90 L HA 0.293 4.633 4.340 -0.000 0.000 0.277 90 L C -1.851 175.011 176.870 -0.013 0.000 1.008 90 L CA -1.912 52.941 54.840 0.021 0.000 0.846 90 L CB 2.168 44.225 42.059 -0.002 0.000 1.220 90 L HN 0.216 nan 8.230 nan 0.000 0.423 91 P HA -0.154 nan 4.420 nan 0.000 0.216 91 P C 1.500 178.762 177.300 -0.062 0.000 1.150 91 P CA 1.013 64.098 63.100 -0.025 0.000 0.837 91 P CB 0.280 31.962 31.700 -0.030 0.000 0.786 92 S N -1.343 114.313 115.700 -0.072 0.000 2.555 92 S HA -0.025 4.445 4.470 -0.000 0.000 0.230 92 S C 1.800 176.327 174.600 -0.123 0.000 0.978 92 S CA 0.420 58.566 58.200 -0.090 0.000 0.934 92 S CB -1.518 61.638 63.200 -0.072 0.000 0.766 92 S HN 0.062 nan 8.310 nan 0.000 0.533 93 L N 1.761 122.909 121.223 -0.126 0.000 2.079 93 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 93 L C 3.052 179.761 176.870 -0.268 0.000 1.081 93 L CA 1.782 56.527 54.840 -0.157 0.000 0.752 93 L CB -0.847 41.135 42.059 -0.128 0.000 0.896 93 L HN 0.680 nan 8.230 nan 0.000 0.433 94 T N -5.647 108.682 114.554 -0.376 0.000 2.969 94 T HA 0.254 4.604 4.350 -0.000 0.000 0.250 94 T C 1.508 175.856 174.700 -0.587 0.000 1.021 94 T CA 0.517 62.178 62.100 -0.730 0.000 1.003 94 T CB 0.840 68.886 68.868 -1.371 0.000 1.040 94 T HN 0.382 nan 8.240 nan 0.000 0.492 95 G N 0.733 109.361 108.800 -0.287 0.000 2.184 95 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.264 95 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.264 95 G C 0.030 174.950 174.900 0.032 0.000 0.975 95 G CA 0.079 45.108 45.100 -0.118 0.000 0.642 95 G HN 0.491 nan 8.290 nan 0.000 0.536 96 W N 0.529 121.825 121.300 -0.006 0.000 2.126 96 W HA 0.495 5.155 4.660 0.000 0.000 0.346 96 W C -1.746 174.769 176.519 -0.006 0.000 1.279 96 W CA -2.429 54.912 57.345 -0.006 0.000 1.259 96 W CB -0.712 28.745 29.460 -0.005 0.000 1.133 96 W HN -0.005 nan 8.180 nan 0.000 0.592 97 P HA 0.041 nan 4.420 nan 0.000 0.265 97 P C -0.372 176.998 177.300 0.117 0.000 1.187 97 P CA 0.757 63.928 63.100 0.118 0.000 0.766 97 P CB 0.452 32.189 31.700 0.061 0.000 0.820 98 T N 1.565 116.173 114.554 0.090 0.000 2.912 98 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 98 T C -0.509 174.247 174.700 0.095 0.000 1.052 98 T CA -0.527 61.630 62.100 0.095 0.000 0.996 98 T CB 1.308 70.225 68.868 0.081 0.000 1.070 98 T HN 0.277 nan 8.240 nan 0.000 0.465 99 V N -0.085 119.903 119.914 0.123 0.000 2.962 99 V HA 0.974 5.094 4.120 -0.000 0.000 0.313 99 V C -0.995 175.284 176.094 0.309 0.000 1.099 99 V CA -0.914 61.502 62.300 0.195 0.000 0.971 99 V CB 1.927 33.862 31.823 0.186 0.000 1.028 99 V HN 0.638 nan 8.190 nan 0.000 0.430 100 V N 2.169 122.285 119.914 0.337 0.000 2.540 100 V HA 0.431 4.551 4.120 -0.000 0.000 0.302 100 V C -0.399 175.851 176.094 0.259 0.000 1.035 100 V CA -0.288 62.205 62.300 0.321 0.000 0.873 100 V CB 1.549 33.518 31.823 0.243 0.000 0.992 100 V HN 1.163 nan 8.190 nan 0.000 0.428 101 D N 3.057 123.421 120.400 -0.060 0.000 2.389 101 D HA 0.167 4.806 4.640 -0.000 0.000 0.247 101 D C 1.259 177.447 176.300 -0.187 0.000 1.128 101 D CA -0.077 53.620 54.000 -0.505 0.000 0.884 101 D CB 0.946 41.148 40.800 -0.997 0.000 1.194 101 D HN 0.433 nan 8.370 nan 0.000 0.441 102 R N 2.243 122.664 120.500 -0.131 0.000 2.193 102 R HA -0.067 4.273 4.340 -0.000 0.000 0.229 102 R C 1.937 178.192 176.300 -0.076 0.000 1.110 102 R CA 0.774 56.837 56.100 -0.061 0.000 0.988 102 R CB -0.030 30.250 30.300 -0.034 0.000 0.871 102 R HN 0.478 nan 8.270 nan 0.000 0.458 103 R N 0.185 120.615 120.500 -0.117 0.000 2.159 103 R HA -0.098 4.242 4.340 -0.000 0.000 0.237 103 R C 2.129 178.360 176.300 -0.114 0.000 1.131 103 R CA 1.143 57.178 56.100 -0.109 0.000 0.982 103 R CB -0.307 29.919 30.300 -0.122 0.000 0.868 103 R HN 0.061 nan 8.270 nan 0.000 0.453 104 V N 1.482 121.326 119.914 -0.118 0.000 2.407 104 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 104 V C 1.408 177.427 176.094 -0.125 0.000 1.055 104 V CA 1.854 64.066 62.300 -0.147 0.000 1.049 104 V CB -0.362 31.391 31.823 -0.117 0.000 0.662 104 V HN 0.278 nan 8.190 nan 0.000 0.455 105 D N -0.213 120.162 120.400 -0.041 0.000 2.312 105 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 105 D C 2.061 178.340 176.300 -0.035 0.000 0.964 105 D CA 0.673 54.671 54.000 -0.003 0.000 0.877 105 D CB -0.073 40.749 40.800 0.037 0.000 0.924 105 D HN 0.581 nan 8.370 nan 0.000 0.515 106 E N 0.135 120.297 120.200 -0.062 0.000 2.274 106 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 106 E C 0.572 177.116 176.600 -0.093 0.000 0.996 106 E CA 0.094 56.454 56.400 -0.066 0.000 0.840 106 E CB 0.234 29.894 29.700 -0.067 0.000 0.772 106 E HN 0.267 nan 8.360 nan 0.000 0.491 107 L N 1.639 122.780 121.223 -0.137 0.000 2.426 107 L HA 0.012 4.352 4.340 -0.000 0.000 0.271 107 L C 1.432 178.228 176.870 -0.124 0.000 1.169 107 L CA 0.009 54.733 54.840 -0.192 0.000 0.836 107 L CB 0.655 42.541 42.059 -0.287 0.000 1.112 107 L HN 0.036 nan 8.230 nan 0.000 0.465 108 E N 2.139 122.279 120.200 -0.101 0.000 2.072 108 E HA 0.039 4.389 4.350 -0.000 0.000 0.190 108 E C 0.223 176.820 176.600 -0.005 0.000 0.982 108 E CA 0.822 57.204 56.400 -0.029 0.000 0.803 108 E CB 0.172 29.875 29.700 0.004 0.000 0.755 108 E HN 0.697 nan 8.360 nan 0.000 0.453 109 A N 0.955 123.776 122.820 0.001 0.000 2.435 109 A HA 0.553 4.873 4.320 -0.000 0.000 0.304 109 A C -0.644 176.949 177.584 0.016 0.000 1.064 109 A CA -0.787 51.282 52.037 0.053 0.000 0.727 109 A CB 1.697 20.776 19.000 0.131 0.000 1.284 109 A HN 0.053 nan 8.150 nan 0.000 0.415 110 V N -1.131 118.775 119.914 -0.014 0.000 2.680 110 V HA 0.945 5.065 4.120 -0.000 0.000 0.309 110 V C 0.007 176.102 176.094 0.003 0.000 1.052 110 V CA -0.380 61.870 62.300 -0.084 0.000 0.908 110 V CB 1.238 32.877 31.823 -0.307 0.000 1.001 110 V HN 1.844 nan 8.190 nan 0.000 0.431 111 A N 5.458 128.288 122.820 0.017 0.000 2.303 111 A HA 0.878 5.198 4.320 -0.000 0.000 0.320 111 A C -0.611 176.987 177.584 0.023 0.000 1.192 111 A CA -0.728 51.331 52.037 0.036 0.000 0.821 111 A CB 0.799 19.828 19.000 0.049 0.000 1.188 111 A HN 0.998 nan 8.150 nan 0.000 0.492 112 L N 1.694 122.945 121.223 0.046 0.000 2.325 112 L HA 0.517 4.857 4.340 -0.000 0.000 0.278 112 L C 0.259 177.164 176.870 0.058 0.000 1.023 112 L CA -0.474 54.398 54.840 0.052 0.000 0.811 112 L CB 1.738 43.839 42.059 0.070 0.000 1.249 112 L HN 0.722 nan 8.230 nan 0.000 0.431 113 E N 1.705 121.936 120.200 0.051 0.000 2.191 113 E HA 0.284 4.634 4.350 -0.000 0.000 0.278 113 E C 0.079 176.713 176.600 0.057 0.000 0.972 113 E CA -0.427 56.004 56.400 0.052 0.000 0.804 113 E CB 1.779 31.499 29.700 0.033 0.000 1.110 113 E HN 0.537 nan 8.360 nan 0.000 0.394 114 L N 2.800 124.066 121.223 0.071 0.000 2.627 114 L HA 0.165 4.505 4.340 -0.000 0.000 0.232 114 L C 1.217 178.118 176.870 0.051 0.000 1.150 114 L CA 0.487 55.364 54.840 0.063 0.000 0.917 114 L CB -0.329 41.786 42.059 0.093 0.000 1.104 114 L HN 0.982 nan 8.230 nan 0.000 0.445 115 G N -0.029 108.799 108.800 0.046 0.000 4.244 115 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.222 115 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.222 115 G C 0.679 175.599 174.900 0.032 0.000 1.665 115 G CA 0.597 45.720 45.100 0.038 0.000 1.315 115 G HN 0.255 nan 8.290 nan 0.000 0.637 116 E N -1.016 119.204 120.200 0.034 0.000 2.414 116 E HA 0.349 4.699 4.350 -0.000 0.000 0.208 116 E C 1.899 178.514 176.600 0.025 0.000 0.820 116 E CA 1.286 57.701 56.400 0.025 0.000 1.143 116 E CB -0.414 29.299 29.700 0.023 0.000 1.150 116 E HN 0.573 nan 8.360 nan 0.000 0.540 117 Q N 0.774 120.597 119.800 0.039 0.000 2.561 117 Q HA 0.008 4.348 4.340 -0.000 0.000 0.217 117 Q C 0.412 176.420 176.000 0.014 0.000 0.980 117 Q CA 0.928 56.753 55.803 0.036 0.000 0.927 117 Q CB 0.175 28.953 28.738 0.067 0.000 0.980 117 Q HN 0.597 nan 8.270 nan 0.000 0.525 118 D N -1.695 118.712 120.400 0.012 0.000 3.046 118 D HA -0.199 4.441 4.640 -0.000 0.000 0.210 118 D C -0.832 175.462 176.300 -0.010 0.000 1.124 118 D CA 0.560 54.558 54.000 -0.005 0.000 0.986 118 D CB -0.822 39.966 40.800 -0.019 0.000 1.118 118 D HN 0.267 nan 8.370 nan 0.000 0.416 119 L N -0.391 120.841 121.223 0.016 0.000 2.375 119 L HA 0.732 5.072 4.340 -0.000 0.000 0.268 119 L C 1.282 178.220 176.870 0.113 0.000 1.058 119 L CA 0.258 55.106 54.840 0.014 0.000 0.803 119 L CB 1.916 43.975 42.059 -0.000 0.000 1.212 119 L HN 0.050 nan 8.230 nan 0.000 0.451 120 G N 0.639 109.526 108.800 0.145 0.000 2.649 120 G HA2 0.666 4.626 3.960 -0.000 0.000 0.290 120 G HA3 0.666 4.626 3.960 -0.000 0.000 0.290 120 G C -1.553 173.492 174.900 0.242 0.000 1.426 120 G CA -0.650 44.551 45.100 0.169 0.000 0.794 120 G HN 0.369 nan 8.290 nan 0.000 0.483 125 A N 1.481 124.339 122.820 0.063 0.000 1.915 125 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 125 A C 1.755 179.414 177.584 0.124 0.000 1.198 125 A CA 2.716 54.805 52.037 0.086 0.000 0.647 125 A CB -0.878 18.148 19.000 0.042 0.000 0.825 125 A HN 0.783 nan 8.150 nan 0.000 0.456 126 E N -0.150 120.097 120.200 0.079 0.000 2.085 126 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 126 E C 1.424 178.064 176.600 0.067 0.000 0.994 126 E CA 1.307 57.744 56.400 0.062 0.000 0.801 126 E CB -0.409 29.315 29.700 0.039 0.000 0.743 126 E HN 0.589 nan 8.360 nan 0.000 0.453 127 D N 0.281 120.730 120.400 0.082 0.000 2.117 127 D HA -0.117 4.523 4.640 -0.000 0.000 0.198 127 D C 1.551 177.906 176.300 0.091 0.000 0.982 127 D CA 0.637 54.680 54.000 0.072 0.000 0.828 127 D CB -0.352 40.493 40.800 0.076 0.000 0.967 127 D HN 0.117 nan 8.370 nan 0.000 0.464 128 F N 1.714 121.667 119.950 0.006 0.000 2.171 128 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 128 F C 2.161 177.964 175.800 0.004 0.000 1.090 128 F CA 1.315 59.319 58.000 0.006 0.000 1.293 128 F CB 0.092 39.095 39.000 0.006 0.000 1.013 128 F HN -0.200 nan 8.300 nan 0.000 0.486 129 R N -0.373 120.160 120.500 0.054 0.000 2.120 129 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 129 R C 2.178 178.415 176.300 -0.106 0.000 1.123 129 R CA 1.454 57.531 56.100 -0.038 0.000 0.975 129 R CB -0.489 29.837 30.300 0.042 0.000 0.866 129 R HN 0.321 nan 8.270 nan 0.000 0.446 130 Q N 1.078 120.834 119.800 -0.074 0.000 2.083 130 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 130 Q C 1.884 177.813 176.000 -0.119 0.000 0.969 130 Q CA 1.380 57.140 55.803 -0.073 0.000 0.838 130 Q CB -0.156 28.560 28.738 -0.037 0.000 0.900 130 Q HN 0.304 nan 8.270 nan 0.000 0.436 131 L N -0.012 121.109 121.223 -0.171 0.000 2.362 131 L HA -0.048 4.293 4.340 -0.000 0.000 0.219 131 L C 1.175 177.885 176.870 -0.267 0.000 1.134 131 L CA 1.491 56.212 54.840 -0.200 0.000 0.807 131 L CB -0.283 41.654 42.059 -0.203 0.000 0.927 131 L HN 0.334 nan 8.230 nan 0.000 0.447 132 T N -4.913 109.424 114.554 -0.361 0.000 3.331 132 T HA 0.408 4.758 4.350 -0.000 0.000 0.282 132 T C 1.292 175.888 174.700 -0.174 0.000 1.010 132 T CA 0.211 62.121 62.100 -0.317 0.000 0.928 132 T CB 0.727 69.271 68.868 -0.539 0.000 1.154 132 T HN 0.115 nan 8.240 nan 0.000 0.516 133 A N 2.139 124.884 122.820 -0.126 0.000 2.024 133 A HA -0.005 4.315 4.320 -0.000 0.000 0.220 133 A C 2.155 179.709 177.584 -0.051 0.000 1.164 133 A CA 0.886 52.878 52.037 -0.075 0.000 0.643 133 A CB -0.212 18.754 19.000 -0.057 0.000 0.806 133 A HN 0.398 nan 8.150 nan 0.000 0.451 134 K N -0.851 119.520 120.400 -0.048 0.000 2.374 134 K HA 0.329 4.649 4.320 -0.000 0.000 0.202 134 K C 0.275 176.867 176.600 -0.012 0.000 1.040 134 K CA 0.515 56.787 56.287 -0.025 0.000 1.085 134 K CB 0.408 32.898 32.500 -0.018 0.000 0.873 134 K HN 0.349 nan 8.250 nan 0.000 0.539 135 A N 1.879 124.686 122.820 -0.021 0.000 2.396 135 A HA 0.501 4.821 4.320 -0.000 0.000 0.279 135 A C 0.352 177.943 177.584 0.011 0.000 1.165 135 A CA -0.260 51.783 52.037 0.010 0.000 0.824 135 A CB 0.087 19.092 19.000 0.008 0.000 1.100 135 A HN 0.264 nan 8.150 nan 0.000 0.516 136 A N 3.309 126.143 122.820 0.022 0.000 2.483 136 A HA 0.480 4.800 4.320 -0.000 0.000 0.238 136 A C 0.590 178.125 177.584 -0.082 0.000 1.070 136 A CA 0.034 52.042 52.037 -0.047 0.000 0.770 136 A CB 0.066 19.061 19.000 -0.008 0.000 1.008 136 A HN 0.811 nan 8.150 nan 0.000 0.497 137 R N 1.012 121.383 120.500 -0.215 0.000 2.428 137 R HA 0.686 5.026 4.340 -0.000 0.000 0.294 137 R C -0.431 175.625 176.300 -0.407 0.000 1.000 137 R CA -0.002 56.010 56.100 -0.148 0.000 0.960 137 R CB 0.830 31.085 30.300 -0.076 0.000 1.076 137 R HN 0.889 nan 8.270 nan 0.000 0.475 138 H N -0.393 118.798 119.070 0.202 0.000 2.981 138 H HA 0.261 4.817 4.556 -0.000 0.000 0.327 138 H C -1.117 174.328 175.328 0.195 0.000 1.342 138 H CA -0.772 55.411 56.048 0.226 0.000 1.123 138 H CB 1.842 31.794 29.762 0.315 0.000 1.851 138 H HN 0.455 nan 8.280 nan 0.000 0.531 139 D N 1.954 122.540 120.400 0.309 0.000 2.412 139 D HA 0.192 4.832 4.640 -0.000 0.000 0.224 139 D C 0.340 176.781 176.300 0.235 0.000 1.093 139 D CA -0.088 53.993 54.000 0.134 0.000 0.850 139 D CB 0.389 41.246 40.800 0.095 0.000 1.046 139 D HN 0.472 nan 8.370 nan 0.000 0.507 140 F N -0.075 119.914 119.950 0.065 0.000 3.022 140 F HA 0.524 5.051 4.527 -0.000 0.000 0.351 140 F C -0.398 175.409 175.800 0.011 0.000 1.170 140 F CA -0.849 57.175 58.000 0.039 0.000 1.066 140 F CB 0.098 39.119 39.000 0.035 0.000 1.297 140 F HN 0.200 nan 8.300 nan 0.000 0.519 141 A N 1.236 123.879 122.820 -0.295 0.000 2.350 141 A HA 0.824 5.144 4.320 -0.000 0.000 0.324 141 A C -1.148 176.352 177.584 -0.140 0.000 1.118 141 A CA -0.795 51.121 52.037 -0.203 0.000 0.783 141 A CB 1.668 20.485 19.000 -0.305 0.000 1.236 141 A HN 0.129 nan 8.150 nan 0.000 0.457 142 V N 2.360 122.195 119.914 -0.132 0.000 2.448 142 V HA 0.247 4.367 4.120 -0.000 0.000 0.295 142 V C -0.368 175.665 176.094 -0.102 0.000 1.025 142 V CA -0.695 61.531 62.300 -0.123 0.000 0.859 142 V CB 1.674 33.348 31.823 -0.248 0.000 0.988 142 V HN 0.955 nan 8.190 nan 0.000 0.431 143 D N 3.209 123.572 120.400 -0.061 0.000 2.363 143 D HA 0.014 4.654 4.640 -0.000 0.000 0.263 143 D C 1.296 177.578 176.300 -0.030 0.000 1.258 143 D CA 0.527 54.501 54.000 -0.043 0.000 0.907 143 D CB 1.583 42.366 40.800 -0.028 0.000 1.107 143 D HN 0.596 nan 8.370 nan 0.000 0.495 144 T N 3.010 117.544 114.554 -0.034 0.000 2.897 144 T HA -0.131 4.219 4.350 -0.000 0.000 0.271 144 T C 1.684 176.384 174.700 -0.001 0.000 1.084 144 T CA 1.432 63.520 62.100 -0.020 0.000 1.123 144 T CB -0.023 68.834 68.868 -0.017 0.000 0.865 144 T HN 0.582 nan 8.240 nan 0.000 0.496 145 A N 1.553 124.373 122.820 -0.001 0.000 2.019 145 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 145 A C 1.904 179.495 177.584 0.012 0.000 1.164 145 A CA 1.524 53.563 52.037 0.003 0.000 0.644 145 A CB -0.552 18.448 19.000 0.000 0.000 0.805 145 A HN 0.659 nan 8.150 nan 0.000 0.449 146 N N -0.800 117.915 118.700 0.025 0.000 2.398 146 N HA 0.205 4.945 4.740 -0.000 0.000 0.188 146 N C -0.333 175.222 175.510 0.075 0.000 1.122 146 N CA -0.034 53.044 53.050 0.046 0.000 0.866 146 N CB 0.203 38.724 38.487 0.056 0.000 0.970 146 N HN 0.423 nan 8.380 nan 0.000 0.462 147 I N 1.248 121.861 120.570 0.072 0.000 2.291 147 I HA 0.067 4.237 4.170 -0.000 0.000 0.292 147 I C -0.130 175.973 176.117 -0.024 0.000 1.064 147 I CA -0.161 61.205 61.300 0.110 0.000 1.269 147 I CB 0.950 39.034 38.000 0.140 0.000 1.418 147 I HN -0.024 nan 8.210 nan 0.000 0.485 148 S N 5.774 121.420 115.700 -0.091 0.000 3.940 148 S HA 0.182 4.652 4.470 -0.000 0.000 0.210 148 S C 0.264 174.470 174.600 -0.658 0.000 1.419 148 S CA -0.576 57.488 58.200 -0.226 0.000 0.912 148 S CB -0.284 62.870 63.200 -0.078 0.000 1.489 148 S HN 0.337 nan 8.310 nan 0.000 0.469 149 V N 3.374 122.944 119.914 -0.574 0.000 2.617 149 V HA -0.018 4.102 4.120 -0.000 0.000 0.304 149 V C 0.976 176.917 176.094 -0.254 0.000 1.040 149 V CA -0.249 61.734 62.300 -0.528 0.000 1.149 149 V CB 0.082 31.807 31.823 -0.164 0.000 0.914 149 V HN 0.650 nan 8.190 nan 0.000 0.487 150 N N 5.021 123.642 118.700 -0.133 0.000 2.508 150 N HA 0.161 4.901 4.740 -0.000 0.000 0.253 150 N C 0.398 175.926 175.510 0.030 0.000 1.145 150 N CA 0.200 53.246 53.050 -0.005 0.000 0.973 150 N CB 0.388 38.914 38.487 0.065 0.000 1.305 150 N HN 0.694 nan 8.380 nan 0.000 0.506 151 L N 1.370 122.625 121.223 0.052 0.000 2.554 151 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 151 L C 0.445 177.464 176.870 0.250 0.000 1.104 151 L CA 0.394 55.305 54.840 0.117 0.000 0.866 151 L CB 0.213 42.324 42.059 0.086 0.000 1.047 151 L HN 0.431 nan 8.230 nan 0.000 0.468 152 D N -3.419 117.111 120.400 0.216 0.000 2.563 152 D HA 0.011 4.651 4.640 -0.000 0.000 0.256 152 D C 0.203 176.643 176.300 0.234 0.000 1.400 152 D CA -0.133 54.020 54.000 0.254 0.000 0.800 152 D CB -0.225 40.652 40.800 0.129 0.000 1.145 152 D HN -0.091 nan 8.370 nan 0.000 0.501 153 N N 0.454 119.282 118.700 0.214 0.000 2.733 153 N HA 0.077 4.817 4.740 -0.000 0.000 0.271 153 N C 0.296 175.901 175.510 0.158 0.000 1.720 153 N CA -0.258 52.887 53.050 0.159 0.000 0.803 153 N CB -0.014 38.528 38.487 0.091 0.000 1.208 153 N HN 0.056 nan 8.380 nan 0.000 0.498 154 H N 1.361 120.505 119.070 0.123 0.000 2.457 154 H HA 0.028 4.584 4.556 0.000 0.000 0.297 154 H C 1.613 176.957 175.328 0.027 0.000 1.092 154 H CA 2.077 58.154 56.048 0.049 0.000 1.309 154 H CB 0.320 30.128 29.762 0.077 0.000 1.382 154 H HN 0.468 nan 8.280 nan 0.000 0.535 155 A N 0.478 123.254 122.820 -0.074 0.000 1.940 155 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 155 A C 2.524 180.016 177.584 -0.153 0.000 1.176 155 A CA 1.665 53.614 52.037 -0.147 0.000 0.631 155 A CB -1.126 17.851 19.000 -0.039 0.000 0.814 155 A HN 0.584 nan 8.150 nan 0.000 0.446 156 A N -0.642 122.127 122.820 -0.085 0.000 2.208 156 A HA 0.061 4.381 4.320 -0.000 0.000 0.209 156 A C 1.470 179.004 177.584 -0.084 0.000 1.161 156 A CA 1.169 53.168 52.037 -0.063 0.000 0.782 156 A CB -0.375 18.619 19.000 -0.008 0.000 0.816 156 A HN 0.423 nan 8.150 nan 0.000 0.477 157 D N 0.361 120.688 120.400 -0.121 0.000 2.106 157 D HA -0.221 4.419 4.640 -0.000 0.000 0.191 157 D C 2.023 178.240 176.300 -0.139 0.000 0.997 157 D CA 1.562 55.513 54.000 -0.082 0.000 0.834 157 D CB -0.328 40.472 40.800 0.000 0.000 0.956 157 D HN 0.550 nan 8.370 nan 0.000 0.448 158 R N 0.592 120.957 120.500 -0.225 0.000 2.096 158 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 158 R C 1.302 177.364 176.300 -0.398 0.000 1.139 158 R CA 1.849 57.738 56.100 -0.351 0.000 0.952 158 R CB -0.064 30.045 30.300 -0.318 0.000 0.854 158 R HN 0.074 nan 8.270 nan 0.000 0.436 159 D N 0.105 120.386 120.400 -0.199 0.000 2.183 159 D HA -0.116 4.524 4.640 -0.000 0.000 0.203 159 D C 2.016 178.295 176.300 -0.034 0.000 0.969 159 D CA 1.079 55.026 54.000 -0.088 0.000 0.842 159 D CB -0.115 40.662 40.800 -0.039 0.000 0.957 159 D HN 0.436 nan 8.370 nan 0.000 0.484 160 Q N -0.121 119.655 119.800 -0.040 0.000 2.123 160 Q HA 0.020 4.360 4.340 -0.000 0.000 0.199 160 Q C 2.384 178.394 176.000 0.017 0.000 0.966 160 Q CA 0.524 56.326 55.803 -0.002 0.000 0.845 160 Q CB 0.084 28.831 28.738 0.014 0.000 0.907 160 Q HN 0.283 nan 8.270 nan 0.000 0.439 161 L N -0.363 120.859 121.223 -0.001 0.000 2.027 161 L HA -0.209 4.131 4.340 -0.000 0.000 0.206 161 L C 2.231 179.203 176.870 0.170 0.000 1.074 161 L CA 1.453 56.332 54.840 0.064 0.000 0.745 161 L CB -0.584 41.481 42.059 0.011 0.000 0.898 161 L HN 0.358 nan 8.230 nan 0.000 0.433 162 H N -1.431 117.655 119.070 0.028 0.000 2.352 162 H HA -0.205 4.351 4.556 -0.000 0.000 0.299 162 H C 2.608 177.938 175.328 0.004 0.000 1.097 162 H CA 1.306 57.361 56.048 0.013 0.000 1.311 162 H CB 0.067 29.825 29.762 -0.007 0.000 1.377 162 H HN 0.321 nan 8.280 nan 0.000 0.504 163 S N 0.529 116.300 115.700 0.119 0.000 2.368 163 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 163 S C 2.383 176.980 174.600 -0.005 0.000 1.030 163 S CA 0.961 59.174 58.200 0.023 0.000 0.999 163 S CB -0.259 62.937 63.200 -0.007 0.000 0.844 163 S HN 0.466 nan 8.310 nan 0.000 0.459 164 A N 1.242 124.111 122.820 0.082 0.000 1.898 164 A HA 0.102 4.422 4.320 -0.000 0.000 0.216 164 A C 2.173 179.950 177.584 0.321 0.000 1.181 164 A CA 1.390 53.536 52.037 0.182 0.000 0.620 164 A CB -0.762 18.335 19.000 0.161 0.000 0.819 164 A HN 0.626 nan 8.150 nan 0.000 0.442 165 I N -0.603 120.146 120.570 0.299 0.000 2.179 165 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 165 I C 2.530 178.686 176.117 0.066 0.000 1.088 165 I CA 1.575 62.998 61.300 0.205 0.000 1.357 165 I CB -0.219 37.843 38.000 0.103 0.000 1.051 165 I HN 0.259 nan 8.210 nan 0.000 0.409 166 K N 0.243 120.642 120.400 -0.000 0.000 2.057 166 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 166 K C 2.341 178.866 176.600 -0.124 0.000 1.049 166 K CA 1.385 57.633 56.287 -0.065 0.000 0.931 166 K CB -0.083 32.373 32.500 -0.074 0.000 0.714 166 K HN 0.170 nan 8.250 nan 0.000 0.440 167 R N -0.655 119.695 120.500 -0.249 0.000 2.100 167 R HA -0.015 4.325 4.340 -0.000 0.000 0.220 167 R C 0.845 176.829 176.300 -0.526 0.000 1.091 167 R CA 1.015 56.798 56.100 -0.529 0.000 0.986 167 R CB 0.238 29.978 30.300 -0.933 0.000 0.888 167 R HN 0.057 nan 8.270 nan 0.000 0.444 168 F N -0.316 119.671 119.950 0.061 0.000 2.661 168 F HA 0.260 4.787 4.527 0.000 0.000 0.306 168 F C 0.308 176.191 175.800 0.138 0.000 1.094 168 F CA -0.178 57.869 58.000 0.078 0.000 1.254 168 F CB 0.888 39.819 39.000 -0.115 0.000 1.040 168 F HN -0.061 nan 8.300 nan 0.000 0.562 169 T N -4.080 110.577 114.554 0.171 0.000 2.778 169 T HA 0.603 4.953 4.350 -0.000 0.000 0.293 169 T C 0.749 175.458 174.700 0.015 0.000 1.144 169 T CA -0.257 61.876 62.100 0.055 0.000 1.010 169 T CB 1.390 70.204 68.868 -0.090 0.000 1.325 169 T HN -0.083 nan 8.240 nan 0.000 0.515 170 G N 0.141 108.935 108.800 -0.010 0.000 3.337 170 G HA2 0.402 4.362 3.960 -0.000 0.000 0.246 170 G HA3 0.402 4.362 3.960 -0.000 0.000 0.246 170 G C 0.277 175.153 174.900 -0.039 0.000 1.131 170 G CA -0.461 44.627 45.100 -0.019 0.000 0.773 170 G HN 0.685 nan 8.290 nan 0.000 0.544 171 L N 1.134 122.322 121.223 -0.058 0.000 2.416 171 L HA 0.319 4.659 4.340 -0.000 0.000 0.272 171 L C 1.047 177.875 176.870 -0.069 0.000 1.161 171 L CA -0.709 54.090 54.840 -0.069 0.000 0.845 171 L CB 0.862 42.865 42.059 -0.093 0.000 1.119 171 L HN 0.156 nan 8.230 nan 0.000 0.464 172 R N 3.659 124.119 120.500 -0.066 0.000 2.438 172 R HA 0.265 4.605 4.340 -0.000 0.000 0.287 172 R C -0.429 175.808 176.300 -0.105 0.000 1.077 172 R CA -0.733 55.322 56.100 -0.075 0.000 1.034 172 R CB 0.620 30.885 30.300 -0.058 0.000 0.993 172 R HN 0.423 nan 8.270 nan 0.000 0.459 173 I N 4.210 124.693 120.570 -0.144 0.000 2.471 173 I HA 0.066 4.236 4.170 -0.000 0.000 0.286 173 I C 0.550 176.553 176.117 -0.191 0.000 1.079 173 I CA 0.416 61.568 61.300 -0.247 0.000 1.398 173 I CB 0.794 38.577 38.000 -0.360 0.000 1.403 173 I HN 0.765 nan 8.210 nan 0.000 0.530 174 Q N 3.200 122.898 119.800 -0.169 0.000 2.486 174 Q HA 0.239 4.579 4.340 -0.000 0.000 0.274 174 Q C 0.616 176.579 176.000 -0.060 0.000 1.076 174 Q CA -0.677 55.074 55.803 -0.087 0.000 0.872 174 Q CB 1.325 30.035 28.738 -0.046 0.000 1.383 174 Q HN 0.429 nan 8.270 nan 0.000 0.478 175 Q N 0.403 120.197 119.800 -0.010 0.000 2.020 175 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 175 Q C -0.286 175.752 176.000 0.063 0.000 0.982 175 Q CA 1.694 57.515 55.803 0.029 0.000 0.838 175 Q CB 0.418 29.169 28.738 0.021 0.000 0.899 175 Q HN 0.242 nan 8.270 nan 0.000 0.423 176 R N 0.679 121.206 120.500 0.045 0.000 2.407 176 R HA 0.155 4.495 4.340 -0.000 0.000 0.303 176 R C 0.962 177.290 176.300 0.045 0.000 0.981 176 R CA -0.364 55.762 56.100 0.044 0.000 0.905 176 R CB 0.899 31.216 30.300 0.028 0.000 1.099 176 R HN 0.246 nan 8.270 nan 0.000 0.459 177 L N 3.704 124.953 121.223 0.043 0.000 2.013 177 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 177 L C 2.309 179.170 176.870 -0.015 0.000 1.073 177 L CA 2.083 56.945 54.840 0.036 0.000 0.753 177 L CB -0.402 41.646 42.059 -0.017 0.000 0.890 177 L HN 0.722 nan 8.230 nan 0.000 0.432 178 E N -1.033 119.132 120.200 -0.058 0.000 2.171 178 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 178 E C 1.511 178.134 176.600 0.039 0.000 0.997 178 E CA 1.865 58.256 56.400 -0.015 0.000 0.810 178 E CB -0.849 28.865 29.700 0.023 0.000 0.738 178 E HN 0.604 nan 8.360 nan 0.000 0.467 179 D N 0.789 121.207 120.400 0.029 0.000 2.137 179 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 179 D C 1.891 178.191 176.300 -0.000 0.000 0.970 179 D CA 1.749 55.763 54.000 0.024 0.000 0.837 179 D CB -0.407 40.405 40.800 0.021 0.000 0.981 179 D HN 0.211 nan 8.370 nan 0.000 0.475 180 T N 1.841 116.388 114.554 -0.011 0.000 2.665 180 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 180 T C 2.002 176.677 174.700 -0.043 0.000 1.035 180 T CA 0.750 62.827 62.100 -0.038 0.000 1.151 180 T CB -0.318 68.526 68.868 -0.040 0.000 0.862 180 T HN 0.149 nan 8.240 nan 0.000 0.438 181 L N 0.738 121.941 121.223 -0.033 0.000 2.622 181 L HA 0.094 4.434 4.340 -0.000 0.000 0.233 181 L C 0.563 177.416 176.870 -0.029 0.000 1.156 181 L CA 0.485 55.295 54.840 -0.050 0.000 0.866 181 L CB -0.747 41.286 42.059 -0.043 0.000 0.980 181 L HN 0.412 nan 8.230 nan 0.000 0.448 182 E N 0.247 120.441 120.200 -0.011 0.000 2.389 182 E HA -0.209 4.141 4.350 -0.000 0.000 0.243 182 E C -0.299 176.316 176.600 0.024 0.000 1.154 182 E CA 0.099 56.499 56.400 0.000 0.000 0.723 182 E CB -1.616 28.073 29.700 -0.019 0.000 1.261 182 E HN 0.466 nan 8.360 nan 0.000 0.390 183 L N 0.546 121.806 121.223 0.062 0.000 2.350 183 L HA 0.394 4.734 4.340 -0.000 0.000 0.275 183 L C -1.639 175.295 176.870 0.108 0.000 1.099 183 L CA -2.046 52.859 54.840 0.109 0.000 0.808 183 L CB 0.203 42.391 42.059 0.214 0.000 1.149 183 L HN -0.159 nan 8.230 nan 0.000 0.442 184 P HA 0.080 nan 4.420 nan 0.000 0.267 184 P C -2.321 175.025 177.300 0.076 0.000 1.200 184 P CA -0.690 62.444 63.100 0.056 0.000 0.772 184 P CB -0.243 31.471 31.700 0.023 0.000 0.855 185 P HA 0.032 nan 4.420 nan 0.000 0.271 185 P C -0.544 176.750 177.300 -0.011 0.000 1.233 185 P CA -0.280 62.853 63.100 0.055 0.000 0.789 185 P CB 0.446 32.168 31.700 0.037 0.000 0.951 186 L N 3.880 125.078 121.223 -0.042 0.000 2.456 186 L HA 0.207 4.547 4.340 -0.000 0.000 0.277 186 L C -1.766 175.043 176.870 -0.102 0.000 1.124 186 L CA -1.575 53.165 54.840 -0.166 0.000 0.880 186 L CB -0.624 41.313 42.059 -0.203 0.000 1.192 186 L HN 0.299 nan 8.230 nan 0.000 0.463 187 P HA 0.022 nan 4.420 nan 0.000 0.269 187 P C 0.223 177.483 177.300 -0.068 0.000 1.215 187 P CA -0.182 62.875 63.100 -0.072 0.000 0.780 187 P CB 0.866 32.522 31.700 -0.072 0.000 0.898 188 E N 0.934 121.103 120.200 -0.052 0.000 2.070 188 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 188 E C 1.907 178.475 176.600 -0.053 0.000 1.004 188 E CA 2.340 58.710 56.400 -0.050 0.000 0.805 188 E CB -1.212 28.461 29.700 -0.045 0.000 0.744 188 E HN 0.540 nan 8.360 nan 0.000 0.451 189 T N 0.587 115.110 114.554 -0.052 0.000 2.594 189 T HA -0.346 4.004 4.350 -0.000 0.000 0.266 189 T C 1.938 176.608 174.700 -0.050 0.000 1.070 189 T CA 2.057 64.127 62.100 -0.050 0.000 1.166 189 T CB -0.713 68.124 68.868 -0.051 0.000 0.862 189 T HN 0.352 nan 8.240 nan 0.000 0.436 190 A N 1.190 123.969 122.820 -0.068 0.000 1.898 190 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 190 A C 2.363 179.917 177.584 -0.049 0.000 1.181 190 A CA 1.653 53.641 52.037 -0.081 0.000 0.620 190 A CB -0.732 18.176 19.000 -0.153 0.000 0.819 190 A HN 0.620 nan 8.150 nan 0.000 0.442 191 Q N -0.720 119.056 119.800 -0.040 0.000 2.112 191 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 191 Q C 2.380 178.419 176.000 0.064 0.000 0.987 191 Q CA 1.731 57.547 55.803 0.021 0.000 0.858 191 Q CB -0.204 28.530 28.738 -0.008 0.000 0.905 191 Q HN 0.594 nan 8.270 nan 0.000 0.420 192 R N 0.162 120.657 120.500 -0.009 0.000 2.075 192 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 192 R C 2.269 178.596 176.300 0.045 0.000 1.126 192 R CA 1.149 57.246 56.100 -0.006 0.000 0.963 192 R CB -0.237 30.043 30.300 -0.034 0.000 0.858 192 R HN 0.252 nan 8.270 nan 0.000 0.435 193 I N 0.654 121.233 120.570 0.016 0.000 2.127 193 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 193 I C 2.233 178.370 176.117 0.034 0.000 1.075 193 I CA 1.495 62.799 61.300 0.007 0.000 1.334 193 I CB -0.312 37.677 38.000 -0.018 0.000 1.040 193 I HN 0.140 nan 8.210 nan 0.000 0.405 194 I N -0.098 120.499 120.570 0.045 0.000 2.194 194 I HA -0.360 3.810 4.170 -0.000 0.000 0.246 194 I C 2.566 178.717 176.117 0.058 0.000 1.093 194 I CA 1.636 62.964 61.300 0.046 0.000 1.355 194 I CB -0.605 37.425 38.000 0.051 0.000 1.046 194 I HN 0.293 nan 8.210 nan 0.000 0.413 195 H N 0.312 119.385 119.070 0.004 0.000 2.276 195 H HA -0.092 4.464 4.556 -0.000 0.000 0.301 195 H C 2.244 177.589 175.328 0.028 0.000 1.073 195 H CA 1.441 57.500 56.048 0.017 0.000 1.311 195 H CB -0.325 29.448 29.762 0.017 0.000 1.379 195 H HN 0.140 nan 8.280 nan 0.000 0.494 196 L N 0.075 121.392 121.223 0.156 0.000 2.051 196 L HA -0.284 4.056 4.340 -0.000 0.000 0.214 196 L C 2.617 179.546 176.870 0.098 0.000 1.076 196 L CA 1.765 56.675 54.840 0.117 0.000 0.758 196 L CB -0.270 41.841 42.059 0.088 0.000 0.890 196 L HN 0.230 nan 8.230 nan 0.000 0.433 197 R N 0.174 120.709 120.500 0.058 0.000 2.066 197 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 197 R C 2.018 178.342 176.300 0.040 0.000 1.131 197 R CA 1.989 58.115 56.100 0.044 0.000 0.955 197 R CB -0.921 29.387 30.300 0.013 0.000 0.851 197 R HN 0.284 nan 8.270 nan 0.000 0.432 198 V N 0.555 120.474 119.914 0.008 0.000 2.626 198 V HA -0.086 4.034 4.120 -0.000 0.000 0.252 198 V C 0.828 176.933 176.094 0.018 0.000 1.067 198 V CA 1.692 63.986 62.300 -0.011 0.000 1.081 198 V CB -0.916 30.874 31.823 -0.055 0.000 0.686 198 V HN 0.389 nan 8.190 nan 0.000 0.468 199 N N 1.422 120.146 118.700 0.040 0.000 2.470 199 N HA 0.369 5.109 4.740 -0.000 0.000 0.268 199 N C -2.909 172.654 175.510 0.088 0.000 1.136 199 N CA -2.106 50.982 53.050 0.063 0.000 0.961 199 N CB 1.343 39.879 38.487 0.083 0.000 1.067 199 N HN 0.245 nan 8.380 nan 0.000 0.468 200 P HA 0.389 nan 4.420 nan 0.000 0.190 200 P C -0.692 176.640 177.300 0.052 0.000 1.887 200 P CA -0.339 62.805 63.100 0.073 0.000 1.194 200 P CB 0.750 32.491 31.700 0.068 0.000 1.732 201 N N 0.564 119.299 118.700 0.057 0.000 2.474 201 N HA 0.353 5.093 4.740 -0.000 0.000 0.224 201 N C 0.295 175.824 175.510 0.031 0.000 1.092 201 N CA 0.438 53.514 53.050 0.044 0.000 0.844 201 N CB 0.902 39.421 38.487 0.053 0.000 1.381 201 N HN 0.236 nan 8.380 nan 0.000 0.458 202 A N -0.445 122.397 122.820 0.038 0.000 3.201 202 A HA 0.701 5.021 4.320 -0.000 0.000 0.303 202 A C -0.301 177.291 177.584 0.015 0.000 1.173 202 A CA -0.031 52.020 52.037 0.023 0.000 0.621 202 A CB -0.449 18.573 19.000 0.037 0.000 1.468 202 A HN 0.094 nan 8.150 nan 0.000 0.632 206 D N 0.841 121.318 120.400 0.129 0.000 2.117 206 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 206 D C 2.429 178.788 176.300 0.097 0.000 0.982 206 D CA 0.846 54.911 54.000 0.109 0.000 0.828 206 D CB 0.154 41.030 40.800 0.126 0.000 0.967 206 D HN 0.283 nan 8.370 nan 0.000 0.464 207 L N 0.972 122.276 121.223 0.135 0.000 2.056 207 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 207 L C 2.288 179.173 176.870 0.025 0.000 1.078 207 L CA 1.194 56.057 54.840 0.037 0.000 0.749 207 L CB -0.487 41.540 42.059 -0.053 0.000 0.901 207 L HN -0.153 nan 8.230 nan 0.000 0.433 208 V N -0.062 119.894 119.914 0.070 0.000 2.332 208 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 208 V C 2.303 178.420 176.094 0.038 0.000 1.055 208 V CA 1.937 64.274 62.300 0.062 0.000 1.038 208 V CB -0.949 30.954 31.823 0.135 0.000 0.651 208 V HN 0.430 nan 8.190 nan 0.000 0.450 209 D N 0.180 120.605 120.400 0.042 0.000 2.104 209 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 209 D C 2.212 178.513 176.300 0.002 0.000 0.994 209 D CA 1.424 55.437 54.000 0.021 0.000 0.830 209 D CB -0.509 40.306 40.800 0.024 0.000 0.959 209 D HN 0.317 nan 8.370 nan 0.000 0.452 210 V N 0.690 120.604 119.914 -0.001 0.000 2.255 210 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 210 V C 2.674 178.750 176.094 -0.030 0.000 1.051 210 V CA 1.227 63.517 62.300 -0.017 0.000 1.018 210 V CB -0.543 31.268 31.823 -0.020 0.000 0.641 210 V HN 0.066 nan 8.190 nan 0.000 0.445 211 V N -0.245 119.649 119.914 -0.034 0.000 2.407 211 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 211 V C 2.331 178.395 176.094 -0.051 0.000 1.055 211 V CA 2.053 64.321 62.300 -0.053 0.000 1.049 211 V CB -0.698 31.088 31.823 -0.061 0.000 0.662 211 V HN 0.632 nan 8.190 nan 0.000 0.455 212 E N -0.133 120.049 120.200 -0.031 0.000 2.347 212 E HA -0.110 4.240 4.350 -0.000 0.000 0.196 212 E C 2.277 178.858 176.600 -0.031 0.000 1.008 212 E CA 1.072 57.455 56.400 -0.028 0.000 0.852 212 E CB -0.065 29.628 29.700 -0.011 0.000 0.783 212 E HN 0.550 nan 8.360 nan 0.000 0.505 213 S N 0.650 116.332 115.700 -0.031 0.000 2.414 213 S HA -0.082 4.388 4.470 -0.000 0.000 0.227 213 S C 0.845 175.422 174.600 -0.039 0.000 1.022 213 S CA 0.480 58.661 58.200 -0.031 0.000 0.958 213 S CB 0.126 63.308 63.200 -0.029 0.000 0.797 213 S HN 0.206 nan 8.310 nan 0.000 0.493 214 D N 1.404 121.775 120.400 -0.048 0.000 2.473 214 D HA 0.246 4.886 4.640 -0.000 0.000 0.226 214 D C -2.249 174.010 176.300 -0.067 0.000 1.089 214 D CA -2.277 51.690 54.000 -0.055 0.000 0.883 214 D CB 1.418 42.183 40.800 -0.059 0.000 1.029 214 D HN -0.014 nan 8.370 nan 0.000 0.517 215 P HA -0.091 nan 4.420 nan 0.000 0.218 215 P C 1.449 178.696 177.300 -0.087 0.000 1.149 215 P CA 0.563 63.622 63.100 -0.067 0.000 0.817 215 P CB 0.432 32.101 31.700 -0.052 0.000 0.785 216 S N -0.951 114.697 115.700 -0.085 0.000 2.368 216 S HA -0.113 4.357 4.470 -0.000 0.000 0.224 216 S C 1.719 176.225 174.600 -0.156 0.000 1.029 216 S CA 0.720 58.859 58.200 -0.103 0.000 0.988 216 S CB -0.971 62.183 63.200 -0.076 0.000 0.838 216 S HN -0.045 nan 8.310 nan 0.000 0.462 217 L N 2.086 123.219 121.223 -0.150 0.000 2.012 217 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 217 L C 2.478 179.188 176.870 -0.267 0.000 1.073 217 L CA 2.210 56.925 54.840 -0.209 0.000 0.748 217 L CB -1.355 40.623 42.059 -0.135 0.000 0.891 217 L HN 0.306 nan 8.230 nan 0.000 0.431 218 A N -0.663 122.047 122.820 -0.183 0.000 1.948 218 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 218 A C 2.440 179.901 177.584 -0.205 0.000 1.177 218 A CA 2.128 54.065 52.037 -0.167 0.000 0.636 218 A CB -1.155 17.782 19.000 -0.105 0.000 0.815 218 A HN 0.600 nan 8.150 nan 0.000 0.449 219 A N -0.957 121.741 122.820 -0.203 0.000 1.855 219 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 219 A C 2.134 179.531 177.584 -0.312 0.000 1.191 219 A CA 1.733 53.649 52.037 -0.202 0.000 0.613 219 A CB -0.642 18.265 19.000 -0.154 0.000 0.829 219 A HN 0.605 nan 8.150 nan 0.000 0.442 220 Q N -0.554 118.970 119.800 -0.459 0.000 2.124 220 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 220 Q C 2.123 177.373 176.000 -1.250 0.000 0.977 220 Q CA 1.648 56.958 55.803 -0.822 0.000 0.850 220 Q CB -0.331 27.823 28.738 -0.973 0.000 0.901 220 Q HN 0.479 nan 8.270 nan 0.000 0.429 221 V N -0.167 119.162 119.914 -0.975 0.000 2.295 221 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 221 V C 2.132 178.045 176.094 -0.303 0.000 1.049 221 V CA 1.553 63.467 62.300 -0.643 0.000 1.024 221 V CB -0.447 31.171 31.823 -0.342 0.000 0.648 221 V HN 0.211 nan 8.190 nan 0.000 0.447 222 V N -0.244 119.518 119.914 -0.253 0.000 2.358 222 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 222 V C 2.658 178.692 176.094 -0.101 0.000 1.047 222 V CA 2.147 64.366 62.300 -0.134 0.000 1.035 222 V CB -0.675 31.083 31.823 -0.107 0.000 0.658 222 V HN 0.654 nan 8.190 nan 0.000 0.452 223 S N -0.567 115.036 115.700 -0.162 0.000 2.378 223 S HA -0.268 4.202 4.470 -0.000 0.000 0.221 223 S C 1.758 176.408 174.600 0.082 0.000 1.037 223 S CA 2.193 60.349 58.200 -0.073 0.000 1.069 223 S CB -0.543 62.578 63.200 -0.131 0.000 1.006 223 S HN 0.599 nan 8.310 nan 0.000 0.423 224 W N 1.584 122.873 121.300 -0.018 0.000 2.277 224 W HA -0.203 4.457 4.660 0.000 0.000 0.327 224 W C 3.093 179.641 176.519 0.048 0.000 1.284 224 W CA 1.054 58.409 57.345 0.016 0.000 1.277 224 W CB -1.801 27.629 29.460 -0.050 0.000 1.141 224 W HN 0.552 nan 8.180 nan 0.000 0.482 225 A N 0.038 122.955 122.820 0.161 0.000 1.972 225 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 225 A C 2.013 179.656 177.584 0.099 0.000 1.169 225 A CA 2.361 54.413 52.037 0.025 0.000 0.635 225 A CB -0.954 18.019 19.000 -0.044 0.000 0.810 225 A HN 0.278 nan 8.150 nan 0.000 0.446 226 S N -0.192 115.564 115.700 0.093 0.000 2.556 226 S HA 0.197 4.667 4.470 -0.000 0.000 0.216 226 S C 0.881 175.544 174.600 0.107 0.000 0.970 226 S CA 0.227 58.470 58.200 0.071 0.000 0.912 226 S CB -0.591 62.619 63.200 0.017 0.000 0.790 226 S HN 0.683 nan 8.310 nan 0.000 0.504 227 S N 1.316 117.121 115.700 0.176 0.000 2.641 227 S HA 0.380 4.850 4.470 -0.000 0.000 0.261 227 S C 1.243 175.942 174.600 0.165 0.000 1.257 227 S CA 0.009 58.312 58.200 0.171 0.000 0.983 227 S CB 0.916 64.247 63.200 0.219 0.000 0.990 227 S HN 0.215 nan 8.310 nan 0.000 0.572 228 S N -0.150 115.627 115.700 0.128 0.000 2.368 228 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 228 S C 1.518 176.160 174.600 0.069 0.000 1.030 228 S CA 1.238 59.488 58.200 0.084 0.000 0.999 228 S CB -0.994 62.245 63.200 0.064 0.000 0.844 228 S HN 0.653 nan 8.310 nan 0.000 0.459 229 F N 0.749 120.664 119.950 -0.058 0.000 2.120 229 F HA -0.098 4.429 4.527 0.000 0.000 0.300 229 F C 1.389 176.996 175.800 -0.322 0.000 1.095 229 F CA 1.687 59.561 58.000 -0.210 0.000 1.249 229 F CB -0.200 38.637 39.000 -0.271 0.000 0.995 229 F HN 0.322 nan 8.300 nan 0.000 0.480 230 Y N -1.111 119.278 120.300 0.149 0.000 2.467 230 Y HA 0.402 4.952 4.550 -0.000 0.000 0.250 230 Y C 1.945 177.857 175.900 0.020 0.000 1.155 230 Y CA 0.136 58.275 58.100 0.064 0.000 1.249 230 Y CB -0.768 37.770 38.460 0.129 0.000 1.146 230 Y HN 0.072 nan 8.280 nan 0.000 0.524 231 A N 0.817 123.711 122.820 0.123 0.000 2.054 231 A HA -0.277 4.043 4.320 -0.000 0.000 0.223 231 A C 2.416 180.024 177.584 0.040 0.000 1.169 231 A CA 1.841 53.920 52.037 0.071 0.000 0.655 231 A CB -0.958 18.066 19.000 0.040 0.000 0.812 231 A HN 0.416 nan 8.150 nan 0.000 0.462 232 A N -0.563 122.268 122.820 0.019 0.000 2.194 232 A HA 0.121 4.441 4.320 -0.000 0.000 0.220 232 A C 2.301 179.903 177.584 0.029 0.000 1.162 232 A CA 1.921 53.962 52.037 0.008 0.000 0.674 232 A CB -0.789 18.198 19.000 -0.021 0.000 0.789 232 A HN 1.099 nan 8.150 nan 0.000 0.470 233 A N -1.363 121.491 122.820 0.056 0.000 1.855 233 A HA 0.392 4.712 4.320 -0.000 0.000 0.215 233 A C 1.912 179.505 177.584 0.014 0.000 1.191 233 A CA 1.980 54.044 52.037 0.044 0.000 0.613 233 A CB -0.929 18.105 19.000 0.057 0.000 0.829 233 A HN 2.104 nan 8.150 nan 0.000 0.442 234 G N -2.764 106.039 108.800 0.004 0.000 2.443 234 G HA2 0.380 4.340 3.960 -0.000 0.000 0.209 234 G HA3 0.380 4.340 3.960 -0.000 0.000 0.209 234 G C 0.167 175.027 174.900 -0.067 0.000 1.176 234 G CA 0.454 45.542 45.100 -0.020 0.000 1.074 234 G HN 1.455 nan 8.290 nan 0.000 0.577 235 R N -0.470 119.958 120.500 -0.119 0.000 2.404 235 R HA 0.585 4.925 4.340 -0.000 0.000 0.315 235 R C 0.458 176.493 176.300 -0.443 0.000 1.032 235 R CA 0.557 56.513 56.100 -0.239 0.000 0.992 235 R CB 0.118 30.276 30.300 -0.237 0.000 0.959 235 R HN 1.669 nan 8.270 nan 0.000 0.428 236 V N 4.934 124.678 119.914 -0.285 0.000 2.389 236 V HA 0.117 4.237 4.120 -0.000 0.000 0.264 236 V C 0.780 176.737 176.094 -0.229 0.000 1.049 236 V CA -0.458 61.703 62.300 -0.231 0.000 0.932 236 V CB 0.752 32.518 31.823 -0.094 0.000 1.011 236 V HN 0.993 nan 8.190 nan 0.000 0.475 237 H N 2.719 121.799 119.070 0.016 0.000 2.403 237 H HA 0.099 4.655 4.556 -0.000 0.000 0.298 237 H C 1.112 176.449 175.328 0.015 0.000 1.059 237 H CA 1.102 57.160 56.048 0.017 0.000 1.363 237 H CB 0.639 30.416 29.762 0.026 0.000 1.410 237 H HN 0.728 nan 8.280 nan 0.000 0.528 238 S N -1.482 114.293 115.700 0.125 0.000 2.703 238 S HA 0.221 4.691 4.470 -0.000 0.000 0.273 238 S C 0.865 175.496 174.600 0.052 0.000 1.178 238 S CA -0.321 57.929 58.200 0.084 0.000 0.838 238 S CB 1.345 64.612 63.200 0.111 0.000 1.178 238 S HN -0.151 nan 8.310 nan 0.000 0.494 239 V N 1.122 121.060 119.914 0.040 0.000 2.358 239 V HA -0.103 4.017 4.120 -0.000 0.000 0.246 239 V C 2.459 178.579 176.094 0.044 0.000 1.047 239 V CA 2.589 64.898 62.300 0.014 0.000 1.035 239 V CB -1.421 30.400 31.823 -0.002 0.000 0.658 239 V HN 1.050 nan 8.190 nan 0.000 0.452 240 H N 0.329 119.405 119.070 0.010 0.000 2.353 240 H HA -0.242 4.314 4.556 -0.000 0.000 0.298 240 H C 2.088 177.435 175.328 0.031 0.000 1.103 240 H CA 2.391 58.453 56.048 0.024 0.000 1.293 240 H CB -0.154 29.623 29.762 0.025 0.000 1.372 240 H HN 0.475 nan 8.280 nan 0.000 0.501 241 D N -0.437 120.029 120.400 0.109 0.000 2.117 241 D HA -0.091 4.549 4.640 -0.000 0.000 0.198 241 D C 2.271 178.559 176.300 -0.020 0.000 0.982 241 D CA 1.381 55.424 54.000 0.072 0.000 0.828 241 D CB -0.466 40.434 40.800 0.165 0.000 0.967 241 D HN 0.525 nan 8.370 nan 0.000 0.464 242 A N -0.222 122.581 122.820 -0.028 0.000 1.908 242 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 242 A C 2.442 179.977 177.584 -0.082 0.000 1.181 242 A CA 1.795 53.797 52.037 -0.058 0.000 0.627 242 A CB -0.737 18.230 19.000 -0.056 0.000 0.818 242 A HN 0.211 nan 8.150 nan 0.000 0.445 243 V N 0.533 120.393 119.914 -0.089 0.000 2.302 243 V HA -0.167 3.953 4.120 -0.000 0.000 0.243 243 V C 2.914 178.951 176.094 -0.096 0.000 1.036 243 V CA 2.224 64.474 62.300 -0.084 0.000 1.020 243 V CB -0.931 30.850 31.823 -0.070 0.000 0.657 243 V HN 0.758 nan 8.190 nan 0.000 0.453 244 S N 0.041 115.623 115.700 -0.195 0.000 2.436 244 S HA -0.132 4.338 4.470 -0.000 0.000 0.228 244 S C 2.019 176.565 174.600 -0.089 0.000 1.014 244 S CA 1.308 59.403 58.200 -0.175 0.000 0.950 244 S CB -0.163 62.814 63.200 -0.372 0.000 0.784 244 S HN 0.552 nan 8.310 nan 0.000 0.504 245 R N 0.151 120.605 120.500 -0.076 0.000 2.121 245 R HA 0.271 4.611 4.340 -0.000 0.000 0.206 245 R C 1.865 178.150 176.300 -0.025 0.000 1.094 245 R CA 0.806 56.891 56.100 -0.025 0.000 1.055 245 R CB 0.041 30.347 30.300 0.010 0.000 0.964 245 R HN 0.327 nan 8.270 nan 0.000 0.473 246 V N 0.887 120.767 119.914 -0.055 0.000 2.341 246 V HA -0.045 4.075 4.120 -0.000 0.000 0.240 246 V C 2.089 178.069 176.094 -0.189 0.000 1.035 246 V CA 1.198 63.446 62.300 -0.086 0.000 1.033 246 V CB -0.190 31.568 31.823 -0.108 0.000 0.678 246 V HN 0.214 nan 8.190 nan 0.000 0.464 247 L N -0.360 120.721 121.223 -0.238 0.000 2.185 247 L HA 0.552 4.892 4.340 -0.000 0.000 0.198 247 L C 1.094 177.905 176.870 -0.098 0.000 1.079 247 L CA 1.140 55.809 54.840 -0.285 0.000 0.780 247 L CB -0.389 41.534 42.059 -0.226 0.000 0.955 247 L HN 0.540 nan 8.230 nan 0.000 0.462 248 G N -1.626 107.144 108.800 -0.051 0.000 2.576 248 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.686 248 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.686 248 G C -0.313 174.618 174.900 0.051 0.000 1.242 248 G CA -0.236 44.872 45.100 0.014 0.000 0.819 248 G HN 0.008 nan 8.290 nan 0.000 0.655 249 F N 0.869 120.793 119.950 -0.043 0.000 2.026 249 F HA -0.060 4.467 4.527 -0.000 0.000 0.296 249 F C 2.329 178.125 175.800 -0.007 0.000 1.133 249 F CA 2.702 60.688 58.000 -0.023 0.000 1.188 249 F CB 0.022 39.013 39.000 -0.015 0.000 0.968 249 F HN 0.517 nan 8.300 nan 0.000 0.476 250 D N 0.254 120.761 120.400 0.177 0.000 2.117 250 D HA -0.174 4.466 4.640 -0.000 0.000 0.197 250 D C 2.245 178.488 176.300 -0.095 0.000 0.987 250 D CA 1.343 55.377 54.000 0.057 0.000 0.829 250 D CB -0.606 40.318 40.800 0.207 0.000 0.961 250 D HN 0.288 nan 8.370 nan 0.000 0.460 251 L N 0.883 122.043 121.223 -0.105 0.000 2.012 251 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 251 L C 1.092 177.891 176.870 -0.119 0.000 1.073 251 L CA 1.141 55.864 54.840 -0.194 0.000 0.748 251 L CB -0.399 41.576 42.059 -0.139 0.000 0.891 251 L HN -0.216 nan 8.230 nan 0.000 0.431 255 L N 1.798 123.074 121.223 0.088 0.000 2.046 255 L HA 0.127 4.467 4.340 -0.000 0.000 0.208 255 L C 1.489 178.483 176.870 0.207 0.000 1.077 255 L CA 1.230 56.123 54.840 0.088 0.000 0.747 255 L CB -0.511 41.427 42.059 -0.201 0.000 0.896 255 L HN 0.164 nan 8.230 nan 0.000 0.432 259 L N 1.357 122.771 121.223 0.318 0.000 2.056 259 L HA 0.125 4.465 4.340 -0.000 0.000 0.207 259 L C 3.292 180.259 176.870 0.162 0.000 1.078 259 L CA 1.529 56.535 54.840 0.276 0.000 0.749 259 L CB -0.395 41.796 42.059 0.219 0.000 0.901 259 L HN 0.340 nan 8.230 nan 0.000 0.433 260 A N 0.418 123.290 122.820 0.087 0.000 1.877 260 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 260 A C 2.209 179.757 177.584 -0.060 0.000 1.186 260 A CA 1.421 53.453 52.037 -0.009 0.000 0.620 260 A CB -0.770 18.198 19.000 -0.053 0.000 0.822 260 A HN 0.359 nan 8.150 nan 0.000 0.443 261 L N -0.813 120.371 121.223 -0.064 0.000 2.191 261 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 261 L C 2.487 179.473 176.870 0.193 0.000 1.103 261 L CA 0.928 55.681 54.840 -0.144 0.000 0.769 261 L CB -0.519 41.381 42.059 -0.266 0.000 0.908 261 L HN 0.515 nan 8.230 nan 0.000 0.438 262 G N -1.006 107.949 108.800 0.259 0.000 2.939 262 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.210 262 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.210 262 G C 1.647 176.581 174.900 0.057 0.000 1.160 262 G CA -0.285 44.940 45.100 0.208 0.000 0.770 262 G HN 0.211 nan 8.290 nan 0.000 0.543 263 R N 0.300 120.825 120.500 0.042 0.000 2.189 263 R HA 0.081 4.421 4.340 -0.000 0.000 0.218 263 R C 2.677 178.962 176.300 -0.025 0.000 1.074 263 R CA 0.777 56.873 56.100 -0.007 0.000 0.991 263 R CB -0.046 30.248 30.300 -0.010 0.000 0.883 263 R HN 0.302 nan 8.270 nan 0.000 0.457 264 A N 0.665 123.485 122.820 0.001 0.000 2.172 264 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 264 A C 0.760 178.347 177.584 0.005 0.000 1.154 264 A CA 0.731 52.783 52.037 0.026 0.000 0.701 264 A CB 0.014 19.073 19.000 0.100 0.000 0.789 264 A HN 0.098 nan 8.150 nan 0.000 0.465 265 L N -0.629 120.560 121.223 -0.056 0.000 2.370 265 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 265 L C -0.250 176.494 176.870 -0.210 0.000 1.002 265 L CA -0.942 53.817 54.840 -0.135 0.000 0.818 265 L CB 2.109 44.041 42.059 -0.211 0.000 1.325 265 L HN 0.030 nan 8.230 nan 0.000 0.418 266 K N 0.571 120.850 120.400 -0.202 0.000 2.138 266 K HA 0.295 4.615 4.320 -0.000 0.000 0.251 266 K C -0.473 175.961 176.600 -0.278 0.000 1.015 266 K CA -0.818 55.338 56.287 -0.217 0.000 0.917 266 K CB 0.371 32.799 32.500 -0.120 0.000 1.021 266 K HN 0.408 nan 8.250 nan 0.000 0.485 267 H N 1.569 120.579 119.070 -0.101 0.000 2.848 267 H HA 0.070 4.626 4.556 -0.000 0.000 0.341 267 H C -2.061 173.201 175.328 -0.110 0.000 1.060 267 H CA -1.796 54.186 56.048 -0.110 0.000 1.444 267 H CB 0.040 29.774 29.762 -0.047 0.000 1.446 267 H HN 0.301 nan 8.280 nan 0.000 0.583 268 P HA -0.025 nan 4.420 nan 0.000 0.267 268 P C 0.645 178.014 177.300 0.115 0.000 1.200 268 P CA -0.029 63.062 63.100 -0.015 0.000 0.772 268 P CB 0.758 32.482 31.700 0.040 0.000 0.855 269 Q N 0.970 120.854 119.800 0.139 0.000 2.280 269 Q HA 0.175 4.515 4.340 -0.000 0.000 0.201 269 Q C -0.082 176.037 176.000 0.199 0.000 0.890 269 Q CA 0.678 56.569 55.803 0.148 0.000 0.947 269 Q CB 0.244 29.045 28.738 0.105 0.000 1.081 269 Q HN 0.483 nan 8.270 nan 0.000 0.502 270 D N -1.149 119.448 120.400 0.329 0.000 2.643 270 D HA 0.390 5.030 4.640 -0.000 0.000 0.283 270 D C -1.583 174.956 176.300 0.398 0.000 1.242 270 D CA -0.502 53.662 54.000 0.273 0.000 0.863 270 D CB 1.397 42.288 40.800 0.152 0.000 1.382 270 D HN -0.014 nan 8.370 nan 0.000 0.444 271 H N -1.214 117.897 119.070 0.069 0.000 3.094 271 H HA 0.447 5.003 4.556 -0.000 0.000 0.346 271 H C -2.710 172.559 175.328 -0.099 0.000 1.238 271 H CA -1.106 54.974 56.048 0.053 0.000 1.209 271 H CB 2.218 32.061 29.762 0.134 0.000 1.911 271 H HN -0.007 nan 8.280 nan 0.000 0.540 272 P HA 0.139 nan 4.420 nan 0.000 0.287 272 P C -0.718 176.516 177.300 -0.110 0.000 1.307 272 P CA -0.243 62.560 63.100 -0.496 0.000 0.777 272 P CB 0.550 31.650 31.700 -0.999 0.000 0.883 273 D N 2.967 123.395 120.400 0.047 0.000 2.493 273 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 273 D C 1.546 177.976 176.300 0.218 0.000 1.142 273 D CA 1.967 56.061 54.000 0.157 0.000 0.872 273 D CB -0.045 40.807 40.800 0.088 0.000 1.173 273 D HN 0.648 nan 8.370 nan 0.000 0.467 274 G N 2.105 111.041 108.800 0.227 0.000 2.213 274 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.236 274 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.236 274 G C -0.133 174.873 174.900 0.177 0.000 0.991 274 G CA 0.105 45.304 45.100 0.165 0.000 0.629 274 G HN 0.485 nan 8.290 nan 0.000 0.517 275 Y N 0.977 121.329 120.300 0.086 0.000 2.320 275 Y HA 0.514 5.064 4.550 0.000 0.000 0.324 275 Y C 1.263 177.325 175.900 0.269 0.000 1.190 275 Y CA -0.587 57.574 58.100 0.102 0.000 1.215 275 Y CB 1.388 39.836 38.460 -0.021 0.000 1.221 275 Y HN 0.554 nan 8.280 nan 0.000 0.486 276 V N 0.751 120.873 119.914 0.346 0.000 3.032 276 V HA 0.058 4.178 4.120 -0.000 0.000 0.307 276 V C 0.328 176.684 176.094 0.436 0.000 1.097 276 V CA -0.986 61.515 62.300 0.335 0.000 1.191 276 V CB 0.380 32.383 31.823 0.299 0.000 0.964 276 V HN 0.824 nan 8.190 nan 0.000 0.494 277 D N 2.255 122.824 120.400 0.282 0.000 2.360 277 D HA -0.015 4.625 4.640 -0.000 0.000 0.242 277 D C 0.789 177.241 176.300 0.254 0.000 1.184 277 D CA -0.236 53.879 54.000 0.191 0.000 0.930 277 D CB 0.959 41.796 40.800 0.062 0.000 1.161 277 D HN 0.712 nan 8.370 nan 0.000 0.447 278 Y N 0.531 120.885 120.300 0.089 0.000 2.040 278 Y HA -0.270 4.280 4.550 0.000 0.000 0.275 278 Y C 2.088 177.903 175.900 -0.142 0.000 1.171 278 Y CA 1.666 59.704 58.100 -0.104 0.000 1.123 278 Y CB -0.409 37.815 38.460 -0.394 0.000 0.963 278 Y HN 0.535 nan 8.280 nan 0.000 0.493 279 W N 0.526 121.890 121.300 0.106 0.000 2.374 279 W HA -0.166 4.494 4.660 -0.000 0.000 0.288 279 W C 2.549 179.036 176.519 -0.053 0.000 1.218 279 W CA 1.464 58.813 57.345 0.007 0.000 1.245 279 W CB -0.343 29.157 29.460 0.067 0.000 1.126 279 W HN 0.171 nan 8.180 nan 0.000 0.545 280 Q N -0.059 119.857 119.800 0.193 0.000 2.046 280 Q HA -0.287 4.053 4.340 -0.000 0.000 0.200 280 Q C 2.217 178.366 176.000 0.247 0.000 0.975 280 Q CA 1.827 57.716 55.803 0.143 0.000 0.836 280 Q CB -0.472 28.391 28.738 0.207 0.000 0.896 280 Q HN 0.379 nan 8.270 nan 0.000 0.428 281 Q N 0.139 120.074 119.800 0.225 0.000 2.135 281 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 281 Q C 1.906 178.024 176.000 0.196 0.000 0.981 281 Q CA 1.462 57.413 55.803 0.248 0.000 0.856 281 Q CB -0.143 28.687 28.738 0.153 0.000 0.902 281 Q HN 0.379 nan 8.270 nan 0.000 0.425 282 A N 0.771 123.555 122.820 -0.059 0.000 1.873 282 A HA -0.142 4.178 4.320 -0.000 0.000 0.215 282 A C 1.968 179.581 177.584 0.048 0.000 1.186 282 A CA 1.289 53.296 52.037 -0.050 0.000 0.616 282 A CB -0.512 18.323 19.000 -0.276 0.000 0.823 282 A HN 0.471 nan 8.150 nan 0.000 0.442 283 I N -2.050 118.555 120.570 0.057 0.000 2.252 283 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 283 I C 2.328 178.417 176.117 -0.046 0.000 1.102 283 I CA 0.602 61.878 61.300 -0.041 0.000 1.385 283 I CB -1.630 36.308 38.000 -0.102 0.000 1.064 283 I HN 0.556 nan 8.210 nan 0.000 0.414 284 W N 1.182 122.465 121.300 -0.028 0.000 2.333 284 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 284 W C 2.824 179.297 176.519 -0.077 0.000 1.215 284 W CA 0.707 58.031 57.345 -0.035 0.000 1.278 284 W CB -0.334 29.123 29.460 -0.004 0.000 1.154 284 W HN 0.129 nan 8.180 nan 0.000 0.486 285 Q N -0.197 119.691 119.800 0.147 0.000 2.167 285 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 285 Q C 2.287 178.216 176.000 -0.119 0.000 0.970 285 Q CA 1.604 57.368 55.803 -0.065 0.000 0.855 285 Q CB -0.861 27.625 28.738 -0.420 0.000 0.911 285 Q HN 0.354 nan 8.270 nan 0.000 0.438 286 A N 1.097 123.784 122.820 -0.221 0.000 1.877 286 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 286 A C 2.075 179.358 177.584 -0.502 0.000 1.186 286 A CA 1.287 52.967 52.037 -0.594 0.000 0.620 286 A CB -0.393 17.928 19.000 -1.132 0.000 0.822 286 A HN 0.283 nan 8.150 nan 0.000 0.443 287 Q N -0.409 119.242 119.800 -0.249 0.000 2.079 287 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 287 Q C 2.492 178.512 176.000 0.033 0.000 0.974 287 Q CA 1.599 57.399 55.803 -0.005 0.000 0.840 287 Q CB -0.663 28.095 28.738 0.034 0.000 0.898 287 Q HN 0.677 nan 8.270 nan 0.000 0.430 288 S N 0.777 116.508 115.700 0.050 0.000 2.353 288 S HA -0.173 4.297 4.470 -0.000 0.000 0.222 288 S C 2.080 176.799 174.600 0.198 0.000 1.035 288 S CA 1.483 59.777 58.200 0.156 0.000 1.025 288 S CB -0.180 63.195 63.200 0.292 0.000 0.902 288 S HN 0.420 nan 8.310 nan 0.000 0.440 289 A N 0.771 123.641 122.820 0.083 0.000 1.902 289 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 289 A C 2.398 180.008 177.584 0.043 0.000 1.181 289 A CA 1.867 53.942 52.037 0.064 0.000 0.623 289 A CB -1.693 17.312 19.000 0.009 0.000 0.818 289 A HN 0.684 nan 8.150 nan 0.000 0.443 290 G N -0.221 108.560 108.800 -0.033 0.000 2.422 290 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 290 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 290 G C 1.519 176.580 174.900 0.268 0.000 1.146 290 G CA 1.071 46.112 45.100 -0.098 0.000 0.769 290 G HN 0.475 nan 8.290 nan 0.000 0.547 291 I N 0.185 120.896 120.570 0.235 0.000 2.202 291 I HA -0.096 4.074 4.170 -0.000 0.000 0.242 291 I C 2.685 178.950 176.117 0.248 0.000 1.091 291 I CA 0.673 62.110 61.300 0.228 0.000 1.368 291 I CB -0.137 37.921 38.000 0.098 0.000 1.058 291 I HN 0.117 nan 8.210 nan 0.000 0.410 292 L N 0.284 121.669 121.223 0.270 0.000 2.083 292 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 292 L C 2.807 179.780 176.870 0.172 0.000 1.083 292 L CA 1.286 56.272 54.840 0.243 0.000 0.752 292 L CB -0.738 41.453 42.059 0.220 0.000 0.899 292 L HN 0.240 nan 8.230 nan 0.000 0.433 293 A N 0.063 122.977 122.820 0.157 0.000 1.858 293 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 293 A C 1.773 179.462 177.584 0.174 0.000 1.190 293 A CA 1.401 53.519 52.037 0.134 0.000 0.617 293 A CB -0.803 18.277 19.000 0.135 0.000 0.827 293 A HN 0.507 nan 8.150 nan 0.000 0.443 298 R N 0.576 121.097 120.500 0.035 0.000 2.115 298 R HA -0.045 4.295 4.340 -0.000 0.000 0.239 298 R C 1.942 178.262 176.300 0.034 0.000 1.133 298 R CA 2.474 58.596 56.100 0.036 0.000 0.935 298 R CB -1.114 29.204 30.300 0.030 0.000 0.853 298 R HN 0.691 nan 8.270 nan 0.000 0.433 299 G N -1.045 107.771 108.800 0.027 0.000 2.807 299 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.207 299 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.207 299 G C 0.838 175.751 174.900 0.023 0.000 1.151 299 G CA 0.109 45.224 45.100 0.024 0.000 0.800 299 G HN 0.331 nan 8.290 nan 0.000 0.523 300 Q N -0.827 118.987 119.800 0.024 0.000 2.023 300 Q HA 0.157 4.497 4.340 -0.000 0.000 0.211 300 Q C 0.305 176.313 176.000 0.013 0.000 0.787 300 Q CA -0.410 55.402 55.803 0.015 0.000 1.035 300 Q CB 0.677 29.420 28.738 0.009 0.000 1.221 300 Q HN 0.324 nan 8.270 nan 0.000 0.443 301 R N 2.017 122.536 120.500 0.032 0.000 2.234 301 R HA 0.310 4.650 4.340 -0.000 0.000 0.324 301 R C -2.288 174.037 176.300 0.043 0.000 1.054 301 R CA -1.313 54.812 56.100 0.042 0.000 0.912 301 R CB 0.697 31.038 30.300 0.067 0.000 1.030 301 R HN 0.004 nan 8.270 nan 0.000 0.455 302 P HA 0.034 nan 4.420 nan 0.000 0.272 302 P C -0.680 176.717 177.300 0.162 0.000 1.240 302 P CA -0.338 62.750 63.100 -0.021 0.000 0.791 302 P CB 0.551 32.036 31.700 -0.358 0.000 0.978 303 L N 1.808 123.211 121.223 0.301 0.000 2.410 303 L HA 0.093 4.433 4.340 -0.000 0.000 0.273 303 L C 1.601 178.668 176.870 0.328 0.000 1.144 303 L CA -0.166 54.853 54.840 0.298 0.000 0.863 303 L CB -0.131 42.092 42.059 0.273 0.000 1.140 303 L HN 0.419 nan 8.230 nan 0.000 0.463 304 F N 3.170 123.228 119.950 0.181 0.000 2.126 304 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 304 F C 2.012 177.938 175.800 0.210 0.000 1.096 304 F CA 1.888 59.999 58.000 0.184 0.000 1.255 304 F CB -0.121 38.963 39.000 0.139 0.000 0.997 304 F HN 0.569 nan 8.300 nan 0.000 0.479 305 G N 0.693 109.695 108.800 0.337 0.000 2.422 305 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 305 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 305 G C 1.716 176.683 174.900 0.113 0.000 1.146 305 G CA 1.127 46.359 45.100 0.221 0.000 0.769 305 G HN 0.453 nan 8.290 nan 0.000 0.547 306 L N 0.236 121.528 121.223 0.115 0.000 2.179 306 L HA 0.119 4.459 4.340 -0.000 0.000 0.208 306 L C 3.309 180.222 176.870 0.072 0.000 1.096 306 L CA 0.671 55.527 54.840 0.028 0.000 0.779 306 L CB -0.307 41.689 42.059 -0.105 0.000 0.922 306 L HN 0.307 nan 8.230 nan 0.000 0.443 307 A N -0.304 122.628 122.820 0.187 0.000 1.873 307 A HA -0.276 4.044 4.320 -0.000 0.000 0.215 307 A C 2.182 179.786 177.584 0.034 0.000 1.186 307 A CA 1.318 53.471 52.037 0.193 0.000 0.616 307 A CB -0.878 18.198 19.000 0.127 0.000 0.823 307 A HN 0.412 nan 8.150 nan 0.000 0.442 308 Y N 0.019 120.165 120.300 -0.256 0.000 2.165 308 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 308 Y C 2.019 177.883 175.900 -0.059 0.000 1.155 308 Y CA 1.817 59.780 58.100 -0.229 0.000 1.164 308 Y CB -0.285 37.953 38.460 -0.369 0.000 0.978 308 Y HN 0.254 nan 8.280 nan 0.000 0.513 309 L N 0.502 121.852 121.223 0.213 0.000 2.027 309 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 309 L C 2.491 179.407 176.870 0.076 0.000 1.074 309 L CA 2.119 57.056 54.840 0.161 0.000 0.745 309 L CB -1.513 40.603 42.059 0.096 0.000 0.898 309 L HN 0.245 nan 8.230 nan 0.000 0.433 310 A N -0.456 122.391 122.820 0.046 0.000 1.892 310 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 310 A C 2.350 179.981 177.584 0.079 0.000 1.188 310 A CA 1.868 53.938 52.037 0.054 0.000 0.631 310 A CB -1.651 17.393 19.000 0.074 0.000 0.822 310 A HN 0.544 nan 8.150 nan 0.000 0.447 311 G N -0.503 108.309 108.800 0.019 0.000 2.421 311 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 311 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 311 G C 1.508 176.448 174.900 0.067 0.000 1.171 311 G CA 1.138 46.222 45.100 -0.027 0.000 0.775 311 G HN 0.472 nan 8.290 nan 0.000 0.543 312 L N 0.046 121.254 121.223 -0.025 0.000 2.083 312 L HA 0.127 4.467 4.340 -0.000 0.000 0.209 312 L C 2.357 179.282 176.870 0.093 0.000 1.083 312 L CA 1.331 56.194 54.840 0.038 0.000 0.752 312 L CB -0.073 42.053 42.059 0.112 0.000 0.899 312 L HN 0.184 nan 8.230 nan 0.000 0.433 313 L N -0.786 120.505 121.223 0.114 0.000 2.607 313 L HA 0.006 4.346 4.340 -0.000 0.000 0.228 313 L C 2.194 179.135 176.870 0.118 0.000 1.123 313 L CA 0.095 55.002 54.840 0.112 0.000 0.890 313 L CB -0.681 41.408 42.059 0.050 0.000 1.103 313 L HN 0.463 nan 8.230 nan 0.000 0.468 314 H N -0.332 118.764 119.070 0.044 0.000 2.457 314 H HA -0.187 4.369 4.556 0.000 0.000 0.297 314 H C 1.027 176.416 175.328 0.101 0.000 1.092 314 H CA 1.676 57.759 56.048 0.060 0.000 1.309 314 H CB -0.134 29.651 29.762 0.039 0.000 1.382 314 H HN 0.307 nan 8.280 nan 0.000 0.535 315 N N -0.575 117.780 118.700 -0.576 0.000 2.275 315 N HA 0.010 4.750 4.740 -0.000 0.000 0.236 315 N C 0.729 176.297 175.510 0.096 0.000 1.154 315 N CA -0.444 52.382 53.050 -0.374 0.000 0.866 315 N CB -0.676 37.368 38.487 -0.738 0.000 1.093 315 N HN 0.195 nan 8.380 nan 0.000 0.515 316 F N -0.056 119.904 119.950 0.017 0.000 2.293 316 F HA 0.180 4.707 4.527 -0.000 0.000 0.300 316 F C 1.971 177.810 175.800 0.064 0.000 1.086 316 F CA 1.325 59.384 58.000 0.098 0.000 1.375 316 F CB -0.189 38.860 39.000 0.082 0.000 1.045 316 F HN 0.141 nan 8.300 nan 0.000 0.516 317 G N -1.322 107.579 108.800 0.168 0.000 2.559 317 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 317 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 317 G C 1.491 176.404 174.900 0.023 0.000 1.126 317 G CA 0.850 45.993 45.100 0.072 0.000 0.778 317 G HN 0.616 nan 8.290 nan 0.000 0.543 318 H N 0.068 119.095 119.070 -0.071 0.000 2.321 318 H HA 0.019 4.575 4.556 -0.000 0.000 0.300 318 H C 2.418 177.542 175.328 -0.340 0.000 1.087 318 H CA 0.946 56.950 56.048 -0.073 0.000 1.319 318 H CB -0.013 29.806 29.762 0.095 0.000 1.379 318 H HN 0.316 nan 8.280 nan 0.000 0.501 319 L N 0.184 121.184 121.223 -0.371 0.000 2.056 319 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 319 L C 2.652 179.259 176.870 -0.437 0.000 1.078 319 L CA 0.815 55.307 54.840 -0.579 0.000 0.749 319 L CB -0.323 41.211 42.059 -0.875 0.000 0.901 319 L HN 0.217 nan 8.230 nan 0.000 0.433 320 V N 0.160 119.850 119.914 -0.374 0.000 2.270 320 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 320 V C 2.452 178.476 176.094 -0.116 0.000 1.043 320 V CA 1.567 63.742 62.300 -0.208 0.000 1.014 320 V CB -0.463 31.300 31.823 -0.101 0.000 0.645 320 V HN 0.320 nan 8.190 nan 0.000 0.447 321 L N 0.330 121.525 121.223 -0.047 0.000 2.042 321 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 321 L C 2.799 179.609 176.870 -0.100 0.000 1.076 321 L CA 1.730 56.630 54.840 0.101 0.000 0.749 321 L CB -0.931 41.215 42.059 0.146 0.000 0.893 321 L HN 0.386 nan 8.230 nan 0.000 0.432 322 A N -0.496 121.982 122.820 -0.570 0.000 1.908 322 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 322 A C 2.279 179.685 177.584 -0.297 0.000 1.181 322 A CA 2.092 53.617 52.037 -0.853 0.000 0.627 322 A CB -0.554 17.749 19.000 -1.162 0.000 0.818 322 A HN 0.537 nan 8.150 nan 0.000 0.445 323 Q N -0.717 118.936 119.800 -0.245 0.000 2.187 323 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 323 Q C 1.698 177.608 176.000 -0.150 0.000 0.957 323 Q CA 1.430 57.133 55.803 -0.165 0.000 0.857 323 Q CB 0.033 28.668 28.738 -0.172 0.000 0.929 323 Q HN 0.411 nan 8.270 nan 0.000 0.453 324 V N -0.220 119.579 119.914 -0.191 0.000 2.725 324 V HA -0.004 4.116 4.120 -0.000 0.000 0.247 324 V C 0.294 176.080 176.094 -0.514 0.000 1.058 324 V CA 0.968 63.026 62.300 -0.402 0.000 1.080 324 V CB 0.050 31.527 31.823 -0.576 0.000 0.713 324 V HN 0.238 nan 8.190 nan 0.000 0.465 325 F N -0.369 119.591 119.950 0.015 0.000 2.597 325 F HA 0.385 4.912 4.527 -0.000 0.000 0.336 325 F C -1.671 174.221 175.800 0.152 0.000 1.432 325 F CA -2.034 56.017 58.000 0.085 0.000 1.120 325 F CB 0.297 39.319 39.000 0.037 0.000 1.253 325 F HN 0.095 nan 8.300 nan 0.000 0.546 326 P HA -0.200 nan 4.420 nan 0.000 0.216 326 P C -1.226 176.211 177.300 0.227 0.000 1.157 326 P CA 1.934 65.158 63.100 0.206 0.000 0.880 326 P CB -0.984 30.783 31.700 0.112 0.000 0.791 327 P HA -0.151 nan 4.420 nan 0.000 0.217 327 P C 1.180 178.461 177.300 -0.033 0.000 1.151 327 P CA 1.707 64.836 63.100 0.049 0.000 0.828 327 P CB -0.562 31.125 31.700 -0.022 0.000 0.788 328 H N -1.573 117.533 119.070 0.061 0.000 2.389 328 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 328 H C 1.774 177.107 175.328 0.008 0.000 1.081 328 H CA 1.134 57.161 56.048 -0.036 0.000 1.345 328 H CB -1.132 28.535 29.762 -0.157 0.000 1.393 328 H HN 0.051 nan 8.280 nan 0.000 0.520 329 F N 1.967 121.965 119.950 0.080 0.000 2.216 329 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 329 F C 1.900 177.676 175.800 -0.041 0.000 1.085 329 F CA 1.295 59.299 58.000 0.007 0.000 1.326 329 F CB -0.056 38.970 39.000 0.043 0.000 1.027 329 F HN -0.064 nan 8.300 nan 0.000 0.497 330 K N 0.240 120.606 120.400 -0.056 0.000 2.026 330 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 330 K C 2.131 178.598 176.600 -0.222 0.000 1.048 330 K CA 1.891 58.082 56.287 -0.160 0.000 0.929 330 K CB -0.562 31.902 32.500 -0.060 0.000 0.713 330 K HN 0.347 nan 8.250 nan 0.000 0.439 331 L N 0.758 121.880 121.223 -0.169 0.000 2.083 331 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 331 L C 2.401 179.156 176.870 -0.192 0.000 1.083 331 L CA 0.826 55.570 54.840 -0.160 0.000 0.752 331 L CB -0.523 41.456 42.059 -0.134 0.000 0.899 331 L HN -0.011 nan 8.230 nan 0.000 0.433 332 V N -0.946 118.823 119.914 -0.240 0.000 2.287 332 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 332 V C 2.618 178.463 176.094 -0.415 0.000 1.053 332 V CA 1.959 64.085 62.300 -0.289 0.000 1.027 332 V CB -0.583 31.057 31.823 -0.305 0.000 0.646 332 V HN 0.557 nan 8.190 nan 0.000 0.447 333 C N -0.141 118.805 119.300 -0.590 0.000 2.413 333 C HA -0.127 4.333 4.460 -0.000 0.000 0.276 333 C C 2.923 177.691 174.990 -0.370 0.000 1.236 333 C CA 0.726 59.391 59.018 -0.589 0.000 1.735 333 C CB -1.206 26.160 27.740 -0.623 0.000 2.031 333 C HN 0.484 nan 8.230 nan 0.000 0.474 334 R N 0.518 120.857 120.500 -0.268 0.000 2.092 334 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 334 R C 2.421 178.633 176.300 -0.147 0.000 1.119 334 R CA 1.341 57.336 56.100 -0.175 0.000 0.970 334 R CB -1.252 28.968 30.300 -0.134 0.000 0.864 334 R HN 0.545 nan 8.270 nan 0.000 0.440 335 S N 0.819 116.425 115.700 -0.157 0.000 2.387 335 S HA 0.017 4.487 4.470 -0.000 0.000 0.226 335 S C 2.049 176.580 174.600 -0.115 0.000 1.026 335 S CA 0.514 58.645 58.200 -0.115 0.000 0.972 335 S CB -0.041 63.099 63.200 -0.101 0.000 0.814 335 S HN 0.190 nan 8.310 nan 0.000 0.477 336 L N 0.979 122.087 121.223 -0.193 0.000 2.131 336 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 336 L C 2.551 179.390 176.870 -0.051 0.000 1.092 336 L CA 1.424 56.148 54.840 -0.193 0.000 0.759 336 L CB -0.459 41.275 42.059 -0.542 0.000 0.903 336 L HN 0.398 nan 8.230 nan 0.000 0.435 337 E N -0.408 119.736 120.200 -0.093 0.000 2.072 337 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 337 E C 2.159 178.769 176.600 0.016 0.000 0.982 337 E CA 1.574 57.983 56.400 0.015 0.000 0.803 337 E CB -0.038 29.640 29.700 -0.037 0.000 0.755 337 E HN 0.480 nan 8.360 nan 0.000 0.453 338 V N -1.939 117.966 119.914 -0.016 0.000 2.788 338 V HA 0.052 4.172 4.120 -0.000 0.000 0.251 338 V C 0.969 177.066 176.094 0.006 0.000 1.068 338 V CA 0.624 62.922 62.300 -0.003 0.000 1.090 338 V CB 0.469 32.287 31.823 -0.009 0.000 0.710 338 V HN -0.064 nan 8.190 nan 0.000 0.467 339 S N 2.297 117.995 115.700 -0.003 0.000 2.060 339 S HA 0.429 4.899 4.470 -0.000 0.000 0.156 339 S C -1.890 172.708 174.600 -0.004 0.000 1.690 339 S CA -0.560 57.641 58.200 0.002 0.000 1.238 339 S CB 1.298 64.496 63.200 -0.004 0.000 1.150 339 S HN 0.517 nan 8.310 nan 0.000 0.437 340 P HA -0.042 nan 4.420 nan 0.000 0.237 340 P C 0.397 177.540 177.300 -0.261 0.000 1.178 340 P CA 0.770 63.791 63.100 -0.132 0.000 0.766 340 P CB 0.036 31.564 31.700 -0.288 0.000 0.876 341 H N -0.787 118.288 119.070 0.007 0.000 2.520 341 H HA 0.255 4.811 4.556 -0.000 0.000 0.284 341 H C 0.585 175.912 175.328 -0.001 0.000 1.037 341 H CA -0.239 55.804 56.048 -0.009 0.000 1.168 341 H CB 0.509 30.262 29.762 -0.015 0.000 1.497 341 H HN 0.120 nan 8.280 nan 0.000 0.547 342 I N 1.307 121.925 120.570 0.079 0.000 2.404 342 I HA 0.091 4.261 4.170 -0.000 0.000 0.293 342 I C 0.445 176.590 176.117 0.047 0.000 0.992 342 I CA -0.983 60.346 61.300 0.049 0.000 1.149 342 I CB 1.739 39.747 38.000 0.013 0.000 1.315 342 I HN 0.029 nan 8.210 nan 0.000 0.446 343 D N 2.982 123.411 120.400 0.049 0.000 2.399 343 D HA 0.024 4.664 4.640 -0.000 0.000 0.241 343 D C 1.427 177.750 176.300 0.038 0.000 1.133 343 D CA 0.188 54.220 54.000 0.054 0.000 0.890 343 D CB 1.201 42.039 40.800 0.063 0.000 1.201 343 D HN 0.594 nan 8.370 nan 0.000 0.432 344 S N 1.157 116.878 115.700 0.035 0.000 2.419 344 S HA -0.256 4.214 4.470 -0.000 0.000 0.235 344 S C 1.942 176.557 174.600 0.025 0.000 1.019 344 S CA 1.337 59.539 58.200 0.004 0.000 0.982 344 S CB -0.729 62.465 63.200 -0.009 0.000 0.789 344 S HN 0.531 nan 8.310 nan 0.000 0.490 345 S N 1.757 117.486 115.700 0.050 0.000 2.382 345 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 345 S C 1.817 176.469 174.600 0.085 0.000 1.027 345 S CA 1.120 59.359 58.200 0.066 0.000 0.991 345 S CB -1.082 62.158 63.200 0.067 0.000 0.823 345 S HN 0.414 nan 8.310 nan 0.000 0.469 346 V N 2.148 122.102 119.914 0.067 0.000 2.307 346 V HA -0.081 4.039 4.120 -0.000 0.000 0.245 346 V C 2.474 178.626 176.094 0.097 0.000 1.045 346 V CA 1.760 64.105 62.300 0.075 0.000 1.024 346 V CB -0.771 31.071 31.823 0.033 0.000 0.651 346 V HN 0.453 nan 8.190 nan 0.000 0.449 347 I N -0.003 120.594 120.570 0.044 0.000 2.179 347 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 347 I C 2.554 178.709 176.117 0.064 0.000 1.088 347 I CA 1.740 63.059 61.300 0.032 0.000 1.357 347 I CB -0.401 37.580 38.000 -0.031 0.000 1.051 347 I HN 0.355 nan 8.210 nan 0.000 0.409 348 E N -0.410 119.809 120.200 0.031 0.000 2.072 348 E HA -0.280 4.070 4.350 -0.000 0.000 0.191 348 E C 2.079 178.672 176.600 -0.012 0.000 0.985 348 E CA 1.321 57.712 56.400 -0.015 0.000 0.801 348 E CB -0.207 29.483 29.700 -0.017 0.000 0.750 348 E HN 0.507 nan 8.360 nan 0.000 0.452 349 H N -0.545 118.529 119.070 0.006 0.000 2.353 349 H HA -0.194 4.362 4.556 -0.000 0.000 0.300 349 H C 1.866 177.224 175.328 0.050 0.000 1.090 349 H CA 1.830 57.888 56.048 0.018 0.000 1.327 349 H CB -0.129 29.658 29.762 0.041 0.000 1.383 349 H HN 0.205 nan 8.280 nan 0.000 0.508 350 Y N 0.181 120.505 120.300 0.039 0.000 2.181 350 Y HA -0.178 4.372 4.550 0.000 0.000 0.288 350 Y C 2.008 177.862 175.900 -0.076 0.000 1.146 350 Y CA 1.692 59.795 58.100 0.005 0.000 1.164 350 Y CB -0.204 38.268 38.460 0.019 0.000 0.982 350 Y HN 0.204 nan 8.280 nan 0.000 0.515 351 L N -1.185 120.016 121.223 -0.036 0.000 2.127 351 L HA -0.097 4.243 4.340 -0.000 0.000 0.203 351 L C 1.831 178.446 176.870 -0.425 0.000 1.080 351 L CA 0.982 55.705 54.840 -0.194 0.000 0.768 351 L CB -0.188 41.805 42.059 -0.110 0.000 0.924 351 L HN 0.203 nan 8.230 nan 0.000 0.444 352 L N -1.728 119.238 121.223 -0.428 0.000 2.672 352 L HA 0.318 4.658 4.340 -0.000 0.000 0.236 352 L C 1.369 178.074 176.870 -0.275 0.000 1.092 352 L CA 0.487 54.995 54.840 -0.553 0.000 0.887 352 L CB 0.336 41.976 42.059 -0.698 0.000 1.168 352 L HN 0.366 nan 8.230 nan 0.000 0.502 353 G N 1.928 110.492 108.800 -0.393 0.000 2.155 353 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 353 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 353 G C 0.171 174.838 174.900 -0.390 0.000 0.983 353 G CA 0.841 45.587 45.100 -0.591 0.000 0.676 353 G HN 0.476 nan 8.290 nan 0.000 0.528 354 I N -3.711 116.719 120.570 -0.233 0.000 3.195 354 I HA 0.922 5.092 4.170 -0.000 0.000 0.313 354 I C -0.103 175.996 176.117 -0.030 0.000 1.237 354 I CA -0.655 60.608 61.300 -0.061 0.000 0.963 354 I CB 2.027 39.992 38.000 -0.059 0.000 1.278 354 I HN 0.311 nan 8.210 nan 0.000 0.460 355 T N -1.314 113.254 114.554 0.024 0.000 2.926 355 T HA 0.459 4.809 4.350 -0.000 0.000 0.289 355 T C 0.789 175.505 174.700 0.028 0.000 1.054 355 T CA -0.616 61.502 62.100 0.030 0.000 1.015 355 T CB 1.906 70.808 68.868 0.056 0.000 1.167 355 T HN 0.969 nan 8.240 nan 0.000 0.526 356 R N 0.485 121.009 120.500 0.040 0.000 2.152 356 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 356 R C 1.269 177.602 176.300 0.055 0.000 1.117 356 R CA 1.449 57.585 56.100 0.059 0.000 0.981 356 R CB -0.545 29.800 30.300 0.074 0.000 0.870 356 R HN 0.649 nan 8.270 nan 0.000 0.451 357 E N 1.317 121.537 120.200 0.033 0.000 2.072 357 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 357 E C 2.117 178.690 176.600 -0.045 0.000 0.985 357 E CA 1.484 57.882 56.400 -0.003 0.000 0.801 357 E CB -0.048 29.639 29.700 -0.022 0.000 0.750 357 E HN 0.466 nan 8.360 nan 0.000 0.452 358 Q N 0.163 119.945 119.800 -0.030 0.000 2.020 358 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 358 Q C 2.348 178.341 176.000 -0.011 0.000 0.982 358 Q CA 1.267 57.051 55.803 -0.032 0.000 0.838 358 Q CB -0.179 28.563 28.738 0.006 0.000 0.899 358 Q HN 0.299 nan 8.270 nan 0.000 0.423 359 I N 0.234 120.817 120.570 0.022 0.000 2.226 359 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 359 I C 2.143 178.273 176.117 0.021 0.000 1.100 359 I CA 1.040 62.361 61.300 0.035 0.000 1.374 359 I CB -0.132 37.920 38.000 0.087 0.000 1.057 359 I HN 0.197 nan 8.210 nan 0.000 0.413 360 A N 0.517 123.378 122.820 0.068 0.000 1.877 360 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 360 A C 2.456 180.030 177.584 -0.017 0.000 1.186 360 A CA 1.855 53.968 52.037 0.127 0.000 0.620 360 A CB -1.061 18.076 19.000 0.228 0.000 0.822 360 A HN 0.533 nan 8.150 nan 0.000 0.443 361 A N -1.167 121.616 122.820 -0.061 0.000 1.902 361 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 361 A C 2.154 179.653 177.584 -0.141 0.000 1.181 361 A CA 2.101 54.059 52.037 -0.132 0.000 0.623 361 A CB -0.520 18.347 19.000 -0.222 0.000 0.818 361 A HN 0.534 nan 8.150 nan 0.000 0.443 362 Q N -0.151 119.587 119.800 -0.103 0.000 2.084 362 Q HA -0.007 4.333 4.340 -0.000 0.000 0.202 362 Q C 0.924 176.799 176.000 -0.209 0.000 0.978 362 Q CA 0.928 56.678 55.803 -0.087 0.000 0.844 362 Q CB -0.544 28.168 28.738 -0.043 0.000 0.898 362 Q HN 0.661 nan 8.270 nan 0.000 0.426 366 N N 0.801 119.446 118.700 -0.092 0.000 2.289 366 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 366 N C 0.974 176.517 175.510 0.055 0.000 1.016 366 N CA 1.152 54.160 53.050 -0.069 0.000 0.872 366 N CB -0.191 38.189 38.487 -0.179 0.000 0.973 366 N HN 0.363 nan 8.380 nan 0.000 0.433 367 W N 1.165 122.462 121.300 -0.006 0.000 3.047 367 W HA 0.361 5.021 4.660 -0.000 0.000 0.250 367 W C 1.212 177.723 176.519 -0.013 0.000 1.314 367 W CA 0.805 58.144 57.345 -0.010 0.000 1.540 367 W CB -1.015 28.425 29.460 -0.034 0.000 1.127 367 W HN 0.023 nan 8.180 nan 0.000 0.679 371 D N 0.525 120.835 120.400 -0.149 0.000 2.172 371 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 371 D C 1.322 177.465 176.300 -0.261 0.000 0.999 371 D CA 1.550 55.471 54.000 -0.132 0.000 0.856 371 D CB 0.211 41.008 40.800 -0.006 0.000 0.934 371 D HN 0.542 nan 8.370 nan 0.000 0.453 372 E N 0.023 119.875 120.200 -0.579 0.000 2.065 372 E HA -0.159 4.191 4.350 -0.000 0.000 0.201 372 E C 2.300 178.655 176.600 -0.409 0.000 1.016 372 E CA 0.860 56.830 56.400 -0.716 0.000 0.818 372 E CB -0.312 28.732 29.700 -1.094 0.000 0.749 372 E HN 0.133 nan 8.360 nan 0.000 0.453 373 V N 0.400 120.130 119.914 -0.307 0.000 2.270 373 V HA -0.253 3.867 4.120 -0.000 0.000 0.245 373 V C 2.209 178.248 176.094 -0.092 0.000 1.043 373 V CA 2.172 64.377 62.300 -0.159 0.000 1.014 373 V CB -0.836 30.915 31.823 -0.120 0.000 0.645 373 V HN 0.341 nan 8.190 nan 0.000 0.447 374 T N 0.734 115.229 114.554 -0.098 0.000 2.665 374 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 374 T C 1.856 176.496 174.700 -0.100 0.000 1.035 374 T CA 1.792 63.836 62.100 -0.093 0.000 1.151 374 T CB -0.325 68.489 68.868 -0.089 0.000 0.862 374 T HN 0.291 nan 8.240 nan 0.000 0.438 375 L N 0.475 121.676 121.223 -0.037 0.000 2.109 375 L HA 0.039 4.379 4.340 -0.000 0.000 0.207 375 L C 3.075 179.984 176.870 0.064 0.000 1.086 375 L CA 0.917 55.781 54.840 0.040 0.000 0.760 375 L CB -0.714 41.479 42.059 0.224 0.000 0.910 375 L HN 0.229 nan 8.230 nan 0.000 0.437 376 A N 0.738 123.613 122.820 0.091 0.000 1.883 376 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 376 A C 2.219 179.847 177.584 0.073 0.000 1.186 376 A CA 1.653 53.773 52.037 0.139 0.000 0.624 376 A CB -0.695 18.401 19.000 0.160 0.000 0.822 376 A HN 0.338 nan 8.150 nan 0.000 0.444 377 I N -1.167 119.413 120.570 0.017 0.000 2.226 377 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 377 I C 2.682 178.753 176.117 -0.076 0.000 1.100 377 I CA 1.714 63.020 61.300 0.011 0.000 1.374 377 I CB -0.232 37.769 38.000 0.002 0.000 1.057 377 I HN 0.280 nan 8.210 nan 0.000 0.413 378 R N 0.725 121.092 120.500 -0.223 0.000 2.092 378 R HA -0.153 4.187 4.340 -0.000 0.000 0.231 378 R C 1.218 177.161 176.300 -0.595 0.000 1.119 378 R CA 1.812 57.618 56.100 -0.490 0.000 0.970 378 R CB -0.367 29.447 30.300 -0.809 0.000 0.864 378 R HN 0.354 nan 8.270 nan 0.000 0.440 379 Y N 0.760 120.940 120.300 -0.200 0.000 2.584 379 Y HA 0.178 4.728 4.550 -0.000 0.000 0.254 379 Y C 1.473 177.358 175.900 -0.025 0.000 1.177 379 Y CA -0.139 57.832 58.100 -0.215 0.000 1.216 379 Y CB 0.031 38.107 38.460 -0.641 0.000 1.172 379 Y HN 0.230 nan 8.280 nan 0.000 0.529 380 Q N 0.116 120.001 119.800 0.141 0.000 2.234 380 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 380 Q C 0.979 177.145 176.000 0.277 0.000 0.980 380 Q CA 1.320 57.248 55.803 0.208 0.000 0.869 380 Q CB -0.133 28.712 28.738 0.178 0.000 0.912 380 Q HN 0.096 nan 8.270 nan 0.000 0.436 381 K N 0.587 121.119 120.400 0.219 0.000 2.404 381 K HA 0.107 4.427 4.320 -0.000 0.000 0.194 381 K C -0.003 176.733 176.600 0.225 0.000 1.023 381 K CA 0.042 56.485 56.287 0.260 0.000 1.094 381 K CB 0.173 32.771 32.500 0.163 0.000 0.841 381 K HN 0.149 nan 8.250 nan 0.000 0.523 382 N N 1.970 120.767 118.700 0.163 0.000 2.707 382 N HA 0.131 4.871 4.740 -0.000 0.000 0.235 382 N C -2.053 173.402 175.510 -0.091 0.000 1.028 382 N CA -2.110 50.979 53.050 0.066 0.000 0.906 382 N CB 1.298 39.890 38.487 0.174 0.000 1.131 382 N HN -0.163 nan 8.380 nan 0.000 0.509 383 P HA -0.011 nan 4.420 nan 0.000 0.230 383 P C 0.453 177.511 177.300 -0.403 0.000 1.158 383 P CA 0.558 63.204 63.100 -0.757 0.000 0.769 383 P CB 0.353 31.132 31.700 -1.535 0.000 0.807 384 A N -1.552 121.129 122.820 -0.232 0.000 2.308 384 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 384 A C 0.598 178.115 177.584 -0.112 0.000 1.216 384 A CA -0.439 51.501 52.037 -0.162 0.000 0.864 384 A CB -1.075 17.850 19.000 -0.125 0.000 0.902 384 A HN 0.093 nan 8.150 nan 0.000 0.499 385 Y N 1.461 121.646 120.300 -0.193 0.000 2.802 385 Y HA 0.094 4.644 4.550 -0.000 0.000 0.333 385 Y C 0.090 175.857 175.900 -0.220 0.000 1.244 385 Y CA 0.107 58.051 58.100 -0.260 0.000 1.558 385 Y CB 0.409 38.679 38.460 -0.318 0.000 1.233 385 Y HN 0.216 nan 8.280 nan 0.000 0.547 386 D N 3.495 123.390 120.400 -0.842 0.000 2.433 386 D HA 0.168 4.808 4.640 -0.000 0.000 0.211 386 D C 1.008 176.835 176.300 -0.788 0.000 1.114 386 D CA 0.500 54.114 54.000 -0.643 0.000 0.837 386 D CB 0.285 40.870 40.800 -0.359 0.000 0.984 386 D HN 0.760 nan 8.370 nan 0.000 0.505 387 G N 1.131 109.082 108.800 -1.416 0.000 2.553 387 G HA2 0.310 4.270 3.960 -0.000 0.000 0.278 387 G HA3 0.310 4.270 3.960 -0.000 0.000 0.278 387 G C -2.373 172.290 174.900 -0.394 0.000 1.349 387 G CA -0.845 43.821 45.100 -0.723 0.000 1.037 387 G HN -0.078 nan 8.290 nan 0.000 0.508 388 P HA 0.112 nan 4.420 nan 0.000 0.264 388 P C -0.437 176.933 177.300 0.116 0.000 1.183 388 P CA 0.746 63.794 63.100 -0.088 0.000 0.763 388 P CB 0.019 31.704 31.700 -0.026 0.000 0.807 389 H N -0.085 119.090 119.070 0.176 0.000 2.899 389 H HA -0.224 4.332 4.556 -0.000 0.000 0.282 389 H C 1.211 176.755 175.328 0.360 0.000 1.198 389 H CA 0.708 56.942 56.048 0.310 0.000 1.140 389 H CB -2.115 27.839 29.762 0.319 0.000 1.317 389 H HN 0.581 nan 8.280 nan 0.000 0.375 390 N N -0.437 118.419 118.700 0.259 0.000 2.364 390 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 390 N C 1.734 177.355 175.510 0.186 0.000 1.022 390 N CA 0.997 54.189 53.050 0.237 0.000 0.883 390 N CB -0.249 38.127 38.487 -0.185 0.000 0.965 390 N HN 0.344 nan 8.380 nan 0.000 0.438 391 V N -0.322 119.647 119.914 0.090 0.000 2.407 391 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 391 V C 1.391 177.472 176.094 -0.023 0.000 1.055 391 V CA 1.602 63.882 62.300 -0.033 0.000 1.049 391 V CB -0.683 31.041 31.823 -0.164 0.000 0.662 391 V HN 0.319 nan 8.190 nan 0.000 0.455 392 Y N 0.734 121.127 120.300 0.155 0.000 2.242 392 Y HA 0.010 4.560 4.550 0.000 0.000 0.291 392 Y C 2.580 178.564 175.900 0.141 0.000 1.137 392 Y CA 1.551 59.731 58.100 0.133 0.000 1.181 392 Y CB -0.927 37.605 38.460 0.121 0.000 0.989 392 Y HN 0.323 nan 8.280 nan 0.000 0.527 393 A N -0.106 122.917 122.820 0.338 0.000 1.930 393 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 393 A C 2.170 179.900 177.584 0.242 0.000 1.175 393 A CA 1.711 53.916 52.037 0.278 0.000 0.627 393 A CB -0.491 18.701 19.000 0.321 0.000 0.815 393 A HN 0.319 nan 8.150 nan 0.000 0.443 394 R N -0.199 120.420 120.500 0.198 0.000 2.090 394 R HA 0.122 4.462 4.340 -0.000 0.000 0.228 394 R C 1.892 178.295 176.300 0.172 0.000 1.110 394 R CA 0.963 57.160 56.100 0.162 0.000 0.973 394 R CB -0.588 29.751 30.300 0.065 0.000 0.869 394 R HN 0.526 nan 8.270 nan 0.000 0.440 395 L N 0.030 121.326 121.223 0.121 0.000 2.042 395 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 395 L C 2.161 179.089 176.870 0.096 0.000 1.076 395 L CA 1.389 56.285 54.840 0.095 0.000 0.749 395 L CB -0.533 41.573 42.059 0.077 0.000 0.893 395 L HN 0.246 nan 8.230 nan 0.000 0.432 396 L N -1.713 119.580 121.223 0.117 0.000 2.017 396 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 396 L C 2.454 179.359 176.870 0.059 0.000 1.073 396 L CA 1.653 56.529 54.840 0.060 0.000 0.745 396 L CB -0.710 41.400 42.059 0.085 0.000 0.894 396 L HN 0.403 nan 8.230 nan 0.000 0.432 397 W N 0.822 122.110 121.300 -0.018 0.000 2.355 397 W HA -0.261 4.399 4.660 -0.000 0.000 0.309 397 W C 2.389 178.856 176.519 -0.088 0.000 1.206 397 W CA 1.462 58.785 57.345 -0.036 0.000 1.284 397 W CB -0.196 29.255 29.460 -0.016 0.000 1.145 397 W HN 0.028 nan 8.180 nan 0.000 0.502 398 L N 1.353 122.638 121.223 0.104 0.000 2.017 398 L HA 0.042 4.382 4.340 -0.000 0.000 0.208 398 L C 2.461 179.131 176.870 -0.334 0.000 1.073 398 L CA 2.719 57.459 54.840 -0.166 0.000 0.745 398 L CB -1.560 40.463 42.059 -0.059 0.000 0.894 398 L HN 0.121 nan 8.230 nan 0.000 0.432 399 G N -0.852 107.833 108.800 -0.192 0.000 2.476 399 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.218 399 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.218 399 G C 1.739 176.515 174.900 -0.206 0.000 1.164 399 G CA 0.975 45.986 45.100 -0.148 0.000 0.768 399 G HN 0.383 nan 8.290 nan 0.000 0.560 400 R N 0.331 120.671 120.500 -0.266 0.000 2.105 400 R HA -0.067 4.273 4.340 -0.000 0.000 0.239 400 R C 2.610 178.696 176.300 -0.356 0.000 1.135 400 R CA 1.685 57.613 56.100 -0.287 0.000 0.967 400 R CB -0.449 29.680 30.300 -0.284 0.000 0.861 400 R HN 0.332 nan 8.270 nan 0.000 0.442 401 Q N 0.028 119.515 119.800 -0.521 0.000 2.096 401 Q HA 0.011 4.351 4.340 -0.000 0.000 0.197 401 Q C 2.335 178.127 176.000 -0.346 0.000 0.964 401 Q CA 1.246 56.743 55.803 -0.510 0.000 0.838 401 Q CB -0.304 27.974 28.738 -0.767 0.000 0.906 401 Q HN 0.373 nan 8.270 nan 0.000 0.444 402 L N 0.100 121.103 121.223 -0.368 0.000 2.093 402 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 402 L C 2.370 179.151 176.870 -0.148 0.000 1.085 402 L CA 0.812 55.471 54.840 -0.302 0.000 0.755 402 L CB -0.477 41.190 42.059 -0.654 0.000 0.904 402 L HN 0.123 nan 8.230 nan 0.000 0.435 403 L N -0.631 120.512 121.223 -0.133 0.000 2.072 403 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 403 L C 2.861 179.594 176.870 -0.228 0.000 1.079 403 L CA 1.757 56.502 54.840 -0.158 0.000 0.752 403 L CB -0.944 40.976 42.059 -0.233 0.000 0.906 403 L HN 0.436 nan 8.230 nan 0.000 0.436 404 T N -2.220 112.206 114.554 -0.214 0.000 2.867 404 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 404 T C 1.545 176.162 174.700 -0.138 0.000 1.057 404 T CA 1.201 63.189 62.100 -0.187 0.000 1.136 404 T CB -0.411 68.357 68.868 -0.167 0.000 0.874 404 T HN 0.599 nan 8.240 nan 0.000 0.466 405 E N 1.205 121.327 120.200 -0.130 0.000 2.347 405 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 405 E C 1.983 178.541 176.600 -0.070 0.000 1.008 405 E CA 0.353 56.698 56.400 -0.090 0.000 0.852 405 E CB -0.233 29.414 29.700 -0.088 0.000 0.783 405 E HN 0.461 nan 8.360 nan 0.000 0.505 406 R N -0.061 120.389 120.500 -0.083 0.000 2.388 406 R HA 0.192 4.532 4.340 -0.000 0.000 0.247 406 R C 0.787 177.032 176.300 -0.091 0.000 0.931 406 R CA 0.415 56.477 56.100 -0.064 0.000 1.082 406 R CB 0.751 31.026 30.300 -0.041 0.000 1.135 406 R HN 0.363 nan 8.270 nan 0.000 0.525 407 G N 0.544 109.277 108.800 -0.111 0.000 2.176 407 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 407 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 407 G C 0.238 175.037 174.900 -0.168 0.000 0.979 407 G CA -0.032 45.000 45.100 -0.112 0.000 0.641 407 G HN 0.150 nan 8.290 nan 0.000 0.530 408 V N 1.143 120.889 119.914 -0.280 0.000 2.540 408 V HA 0.416 4.536 4.120 -0.000 0.000 0.297 408 V C 1.317 177.235 176.094 -0.294 0.000 1.024 408 V CA 0.704 62.757 62.300 -0.411 0.000 1.105 408 V CB 1.259 32.553 31.823 -0.881 0.000 0.938 408 V HN 1.185 nan 8.190 nan 0.000 0.482 409 A N 6.233 128.931 122.820 -0.204 0.000 3.091 409 A HA 0.450 4.770 4.320 -0.000 0.000 0.264 409 A C 0.941 178.399 177.584 -0.209 0.000 1.673 409 A CA -0.189 51.713 52.037 -0.225 0.000 1.362 409 A CB -0.513 18.386 19.000 -0.169 0.000 1.137 409 A HN 0.886 nan 8.150 nan 0.000 0.617 410 L N 0.266 121.374 121.223 -0.191 0.000 2.529 410 L HA 0.339 4.679 4.340 -0.000 0.000 0.223 410 L C 1.407 178.263 176.870 -0.022 0.000 1.113 410 L CA 0.651 55.466 54.840 -0.042 0.000 0.861 410 L CB -0.440 41.596 42.059 -0.039 0.000 1.012 410 L HN 0.772 nan 8.230 nan 0.000 0.461 411 G N -0.020 108.616 108.800 -0.273 0.000 2.384 411 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.204 411 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.204 411 G C -0.344 174.489 174.900 -0.111 0.000 1.237 411 G CA -0.564 44.416 45.100 -0.200 0.000 1.060 411 G HN 0.286 nan 8.290 nan 0.000 0.514 412 A N -0.409 122.403 122.820 -0.014 0.000 2.561 412 A HA 0.621 4.941 4.320 -0.000 0.000 0.234 412 A C 1.079 178.657 177.584 -0.010 0.000 1.055 412 A CA 1.925 53.983 52.037 0.034 0.000 0.756 412 A CB -0.011 19.027 19.000 0.064 0.000 0.986 412 A HN 2.550 nan 8.150 nan 0.000 0.505 413 G N 0.965 109.763 108.800 -0.003 0.000 2.704 413 G HA2 0.596 4.556 3.960 -0.000 0.000 0.293 413 G HA3 0.596 4.556 3.960 -0.000 0.000 0.293 413 G C -0.998 173.849 174.900 -0.088 0.000 1.421 413 G CA -0.640 44.401 45.100 -0.099 0.000 0.870 413 G HN 0.792 nan 8.290 nan 0.000 0.492 414 E N -0.371 119.741 120.200 -0.147 0.000 2.412 414 E HA 0.641 4.991 4.350 -0.000 0.000 0.255 414 E C -0.540 175.994 176.600 -0.110 0.000 0.933 414 E CA -0.943 55.410 56.400 -0.077 0.000 0.823 414 E CB 1.603 31.321 29.700 0.030 0.000 1.352 414 E HN 0.317 nan 8.360 nan 0.000 0.406 415 S N -0.103 115.577 115.700 -0.035 0.000 2.545 415 S HA 0.414 4.884 4.470 -0.000 0.000 0.275 415 S C -0.501 174.101 174.600 0.005 0.000 1.299 415 S CA -0.547 57.639 58.200 -0.024 0.000 1.048 415 S CB 0.435 63.644 63.200 0.015 0.000 0.938 415 S HN 0.508 nan 8.310 nan 0.000 0.496 416 A N 3.999 126.790 122.820 -0.049 0.000 2.396 416 A HA 0.421 4.741 4.320 -0.000 0.000 0.279 416 A C 0.623 178.252 177.584 0.075 0.000 1.165 416 A CA -0.233 51.781 52.037 -0.038 0.000 0.824 416 A CB -0.108 18.743 19.000 -0.248 0.000 1.100 416 A HN 0.740 nan 8.150 nan 0.000 0.516 417 T N 1.239 115.872 114.554 0.131 0.000 2.868 417 T HA 0.157 4.507 4.350 -0.000 0.000 0.292 417 T C 1.314 176.084 174.700 0.117 0.000 1.028 417 T CA 0.017 62.180 62.100 0.106 0.000 1.059 417 T CB 0.862 69.773 68.868 0.073 0.000 0.991 417 T HN 0.702 nan 8.240 nan 0.000 0.531 418 Q N 2.720 122.617 119.800 0.161 0.000 2.181 418 Q HA -0.006 4.334 4.340 -0.000 0.000 0.205 418 Q C 2.243 178.324 176.000 0.136 0.000 0.980 418 Q CA 2.298 58.231 55.803 0.217 0.000 0.862 418 Q CB -0.879 27.937 28.738 0.130 0.000 0.905 418 Q HN 0.854 nan 8.270 nan 0.000 0.429 419 A N -0.712 122.139 122.820 0.051 0.000 1.917 419 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 419 A C 2.254 179.827 177.584 -0.019 0.000 1.182 419 A CA 1.876 53.914 52.037 0.002 0.000 0.633 419 A CB -0.942 18.035 19.000 -0.039 0.000 0.819 419 A HN 0.283 nan 8.150 nan 0.000 0.448 420 V N -1.571 118.307 119.914 -0.060 0.000 2.358 420 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 420 V C 2.376 178.433 176.094 -0.061 0.000 1.047 420 V CA 1.935 64.169 62.300 -0.109 0.000 1.035 420 V CB -1.037 30.703 31.823 -0.138 0.000 0.658 420 V HN 0.658 nan 8.190 nan 0.000 0.452 421 Y N 0.606 120.924 120.300 0.031 0.000 2.224 421 Y HA -0.180 4.370 4.550 0.000 0.000 0.289 421 Y C 2.492 178.398 175.900 0.009 0.000 1.146 421 Y CA 1.424 59.536 58.100 0.021 0.000 1.182 421 Y CB -0.600 37.870 38.460 0.016 0.000 0.983 421 Y HN 0.314 nan 8.280 nan 0.000 0.524 422 D N -0.134 120.358 120.400 0.154 0.000 2.117 422 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 422 D C 2.057 178.383 176.300 0.042 0.000 0.982 422 D CA 1.282 55.329 54.000 0.079 0.000 0.828 422 D CB -0.339 40.492 40.800 0.051 0.000 0.967 422 D HN 0.477 nan 8.370 nan 0.000 0.464 423 E N 0.455 120.667 120.200 0.020 0.000 2.077 423 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 423 E C 1.794 178.395 176.600 0.001 0.000 0.989 423 E CA 0.636 57.030 56.400 -0.009 0.000 0.800 423 E CB -0.023 29.652 29.700 -0.043 0.000 0.746 423 E HN 0.241 nan 8.360 nan 0.000 0.452 424 L N -0.094 121.142 121.223 0.022 0.000 2.612 424 L HA 0.186 4.526 4.340 -0.000 0.000 0.230 424 L C 1.206 178.105 176.870 0.049 0.000 1.140 424 L CA 0.281 55.138 54.840 0.029 0.000 0.896 424 L CB 0.046 42.128 42.059 0.039 0.000 1.065 424 L HN 0.344 nan 8.230 nan 0.000 0.447 425 G N 1.225 110.058 108.800 0.054 0.000 2.305 425 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.287 425 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.287 425 G C -0.015 174.928 174.900 0.071 0.000 1.036 425 G CA 0.153 45.285 45.100 0.053 0.000 0.887 425 G HN 0.284 nan 8.290 nan 0.000 0.505 426 L N -0.429 120.860 121.223 0.111 0.000 2.325 426 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 426 L C 0.231 177.145 176.870 0.073 0.000 1.023 426 L CA -0.998 53.917 54.840 0.126 0.000 0.811 426 L CB 1.625 43.823 42.059 0.231 0.000 1.249 426 L HN 0.207 nan 8.230 nan 0.000 0.431 427 D N 1.020 121.427 120.400 0.012 0.000 2.277 427 D HA 0.115 4.755 4.640 -0.000 0.000 0.249 427 D C 1.078 177.254 176.300 -0.206 0.000 1.134 427 D CA -0.207 53.750 54.000 -0.072 0.000 0.863 427 D CB 1.131 41.908 40.800 -0.039 0.000 1.143 427 D HN 0.366 nan 8.370 nan 0.000 0.458 428 R N 2.849 123.093 120.500 -0.427 0.000 2.083 428 R HA -0.174 4.166 4.340 -0.000 0.000 0.237 428 R C 1.354 177.445 176.300 -0.348 0.000 1.137 428 R CA 1.610 57.257 56.100 -0.755 0.000 0.951 428 R CB 0.071 29.894 30.300 -0.795 0.000 0.851 428 R HN 0.635 nan 8.270 nan 0.000 0.434 429 E N 0.340 120.422 120.200 -0.197 0.000 2.085 429 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 429 E C 2.125 178.696 176.600 -0.048 0.000 0.994 429 E CA 1.441 57.782 56.400 -0.098 0.000 0.801 429 E CB -0.100 29.561 29.700 -0.064 0.000 0.743 429 E HN 0.359 nan 8.360 nan 0.000 0.453 430 L N 0.469 121.669 121.223 -0.038 0.000 2.017 430 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 430 L C 2.507 179.414 176.870 0.062 0.000 1.073 430 L CA 0.808 55.656 54.840 0.014 0.000 0.745 430 L CB -0.472 41.600 42.059 0.020 0.000 0.894 430 L HN 0.077 nan 8.230 nan 0.000 0.432 431 V N -0.375 119.571 119.914 0.053 0.000 2.343 431 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 431 V C 2.472 178.691 176.094 0.210 0.000 1.051 431 V CA 1.726 64.124 62.300 0.164 0.000 1.036 431 V CB -0.557 31.357 31.823 0.152 0.000 0.654 431 V HN 0.503 nan 8.190 nan 0.000 0.451 432 Q N 0.006 119.855 119.800 0.082 0.000 2.084 432 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 432 Q C 2.308 178.385 176.000 0.128 0.000 0.978 432 Q CA 2.013 57.873 55.803 0.095 0.000 0.844 432 Q CB -0.180 28.567 28.738 0.015 0.000 0.898 432 Q HN 0.905 nan 8.270 nan 0.000 0.426 433 E N 0.145 120.401 120.200 0.093 0.000 2.150 433 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 433 E C 1.900 178.562 176.600 0.103 0.000 0.985 433 E CA 0.686 57.135 56.400 0.082 0.000 0.814 433 E CB -0.104 29.626 29.700 0.049 0.000 0.752 433 E HN 0.218 nan 8.360 nan 0.000 0.466 434 Q N 0.148 120.033 119.800 0.142 0.000 2.079 434 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 434 Q C 1.976 177.996 176.000 0.033 0.000 0.974 434 Q CA 1.183 57.045 55.803 0.099 0.000 0.840 434 Q CB -0.300 28.518 28.738 0.133 0.000 0.898 434 Q HN 0.374 nan 8.270 nan 0.000 0.430 435 F N 1.505 121.492 119.950 0.062 0.000 2.259 435 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 435 F C 1.874 177.703 175.800 0.049 0.000 1.088 435 F CA 0.842 58.877 58.000 0.059 0.000 1.358 435 F CB -0.121 38.903 39.000 0.041 0.000 1.040 435 F HN 0.048 nan 8.300 nan 0.000 0.505 436 D N -0.021 120.479 120.400 0.166 0.000 2.117 436 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 436 D C 2.154 178.496 176.300 0.071 0.000 0.987 436 D CA 1.227 55.286 54.000 0.098 0.000 0.829 436 D CB -0.318 40.527 40.800 0.075 0.000 0.961 436 D HN 0.204 nan 8.370 nan 0.000 0.460 437 E N 0.577 120.808 120.200 0.052 0.000 2.072 437 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 437 E C 1.954 178.574 176.600 0.034 0.000 0.985 437 E CA 0.357 56.778 56.400 0.034 0.000 0.801 437 E CB -0.434 29.278 29.700 0.020 0.000 0.750 437 E HN 0.144 nan 8.360 nan 0.000 0.452 438 L N -0.166 121.051 121.223 -0.010 0.000 2.042 438 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 438 L C 2.210 179.214 176.870 0.223 0.000 1.076 438 L CA 1.525 56.377 54.840 0.019 0.000 0.749 438 L CB -0.622 41.327 42.059 -0.182 0.000 0.893 438 L HN 0.113 nan 8.230 nan 0.000 0.432 439 V N -0.226 119.807 119.914 0.198 0.000 2.515 439 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 439 V C 2.615 178.857 176.094 0.247 0.000 1.058 439 V CA 1.739 64.193 62.300 0.258 0.000 1.064 439 V CB -0.735 31.132 31.823 0.073 0.000 0.675 439 V HN 0.459 nan 8.190 nan 0.000 0.461 440 R N -0.019 120.568 120.500 0.144 0.000 2.241 440 R HA -0.041 4.299 4.340 -0.000 0.000 0.224 440 R C 1.840 178.197 176.300 0.094 0.000 1.101 440 R CA 0.737 56.899 56.100 0.103 0.000 0.995 440 R CB -0.208 30.130 30.300 0.062 0.000 0.870 440 R HN 0.469 nan 8.270 nan 0.000 0.463 441 R N 0.521 121.081 120.500 0.101 0.000 2.391 441 R HA 0.042 4.382 4.340 -0.000 0.000 0.249 441 R C 1.485 177.775 176.300 -0.016 0.000 0.957 441 R CA -0.041 56.078 56.100 0.032 0.000 1.093 441 R CB 0.137 30.436 30.300 -0.001 0.000 1.156 441 R HN 0.102 nan 8.270 nan 0.000 0.526 442 K N 1.393 121.854 120.400 0.103 0.000 2.077 442 K HA -0.243 4.077 4.320 -0.000 0.000 0.213 442 K C 0.881 177.463 176.600 -0.031 0.000 1.051 442 K CA 2.118 58.459 56.287 0.091 0.000 0.929 442 K CB 0.084 32.760 32.500 0.294 0.000 0.715 442 K HN 0.108 nan 8.250 nan 0.000 0.451 443 D N -0.231 120.176 120.400 0.012 0.000 2.144 443 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 443 D C 2.032 178.335 176.300 0.005 0.000 0.984 443 D CA 1.696 55.702 54.000 0.010 0.000 0.834 443 D CB -0.181 40.632 40.800 0.021 0.000 0.955 443 D HN 0.416 nan 8.370 nan 0.000 0.465 444 S N -0.057 115.647 115.700 0.007 0.000 2.446 444 S HA -0.035 4.435 4.470 -0.000 0.000 0.225 444 S C 1.310 175.900 174.600 -0.016 0.000 1.016 444 S CA -0.192 58.088 58.200 0.134 0.000 0.943 444 S CB 0.074 63.347 63.200 0.122 0.000 0.786 444 S HN -0.033 nan 8.310 nan 0.000 0.508 454 Q N 0.000 119.789 119.800 -0.019 0.000 2.315 454 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 454 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 454 Q CB 0.000 28.745 28.738 0.012 0.000 1.108 454 Q HN 0.000 nan 8.270 nan 0.000 0.481