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 2o7d_1_F DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.515 32.500 0.025 0.000 1.064 9 P HA 0.122 nan 4.420 nan 0.000 0.265 9 P C -1.224 176.085 177.300 0.015 0.000 1.187 9 P CA -0.084 63.027 63.100 0.019 0.000 0.766 9 P CB 0.576 32.291 31.700 0.024 0.000 0.820 10 A N 2.450 125.277 122.820 0.012 0.000 2.342 10 A HA 0.557 4.877 4.320 0.000 0.000 0.323 10 A C -0.810 176.778 177.584 0.007 0.000 1.125 10 A CA -0.598 51.444 52.037 0.007 0.000 0.785 10 A CB 1.119 20.122 19.000 0.005 0.000 1.221 10 A HN 0.357 nan 8.150 nan 0.000 0.463 11 V N 2.458 122.373 119.914 0.001 0.000 2.347 11 V HA 0.281 4.401 4.120 0.000 0.000 0.280 11 V C 0.185 176.278 176.094 -0.003 0.000 1.021 11 V CA -0.365 61.935 62.300 -0.000 0.000 0.847 11 V CB 1.253 33.072 31.823 -0.007 0.000 0.990 11 V HN 0.978 nan 8.190 nan 0.000 0.444 12 E N 4.494 124.695 120.200 0.002 0.000 2.130 12 E HA 0.357 4.707 4.350 0.000 0.000 0.284 12 E C -0.933 175.667 176.600 -0.000 0.000 1.018 12 E CA -0.786 55.614 56.400 0.001 0.000 0.817 12 E CB 1.293 30.996 29.700 0.005 0.000 1.078 12 E HN 0.555 nan 8.360 nan 0.000 0.396 13 L N 5.722 126.941 121.223 -0.007 0.000 2.261 13 L HA 0.261 4.601 4.340 0.000 0.000 0.289 13 L C -0.179 176.690 176.870 -0.003 0.000 1.059 13 L CA 0.427 55.261 54.840 -0.010 0.000 0.816 13 L CB 1.032 43.079 42.059 -0.021 0.000 1.191 13 L HN 0.709 nan 8.230 nan 0.000 0.431 14 D N 3.014 123.418 120.400 0.007 0.000 3.013 14 D HA 0.164 4.804 4.640 0.000 0.000 0.256 14 D C 1.350 177.659 176.300 0.015 0.000 1.573 14 D CA 0.916 54.923 54.000 0.011 0.000 1.197 14 D CB 0.687 41.498 40.800 0.018 0.000 1.041 14 D HN 0.591 nan 8.370 nan 0.000 0.304 15 R N -1.854 118.666 120.500 0.034 0.000 2.320 15 R HA 0.227 4.567 4.340 0.000 0.000 0.193 15 R C 0.181 176.525 176.300 0.074 0.000 0.885 15 R CA -0.186 55.941 56.100 0.045 0.000 1.085 15 R CB 0.707 31.037 30.300 0.050 0.000 1.253 15 R HN 0.199 nan 8.270 nan 0.000 0.636 16 H N 0.297 119.360 119.070 -0.011 0.000 2.572 16 H HA 0.577 5.133 4.556 0.000 0.000 0.359 16 H C -1.462 173.860 175.328 -0.010 0.000 1.134 16 H CA -0.734 55.306 56.048 -0.013 0.000 1.187 16 H CB 1.619 31.374 29.762 -0.012 0.000 1.597 16 H HN 0.006 nan 8.280 nan 0.000 0.524 17 I N 4.139 124.389 120.570 -0.533 0.000 2.686 17 I HA 0.278 4.448 4.170 0.000 0.000 0.295 17 I C -1.221 174.643 176.117 -0.423 0.000 1.114 17 I CA -0.876 60.251 61.300 -0.288 0.000 1.038 17 I CB 1.649 39.549 38.000 -0.167 0.000 1.238 17 I HN 0.851 nan 8.210 nan 0.000 0.420 18 D N 5.887 126.212 120.400 -0.123 0.000 2.432 18 D HA 0.241 4.881 4.640 0.000 0.000 0.258 18 D C 0.968 177.250 176.300 -0.029 0.000 1.146 18 D CA -0.600 53.380 54.000 -0.033 0.000 1.015 18 D CB 1.004 41.855 40.800 0.086 0.000 1.107 18 D HN 0.506 nan 8.370 nan 0.000 0.529 19 L N -0.403 120.823 121.223 0.005 0.000 2.079 19 L HA -0.142 4.198 4.340 0.000 0.000 0.210 19 L C 1.436 178.346 176.870 0.066 0.000 1.081 19 L CA 1.350 56.208 54.840 0.029 0.000 0.752 19 L CB -0.459 41.626 42.059 0.044 0.000 0.896 19 L HN 0.441 nan 8.230 nan 0.000 0.433 20 D N -0.226 120.214 120.400 0.067 0.000 2.117 20 D HA -0.163 4.477 4.640 0.000 0.000 0.198 20 D C 2.336 178.680 176.300 0.074 0.000 0.982 20 D CA 1.041 55.096 54.000 0.092 0.000 0.828 20 D CB -0.088 40.757 40.800 0.075 0.000 0.967 20 D HN 0.394 nan 8.370 nan 0.000 0.464 21 Q N 0.363 120.187 119.800 0.041 0.000 2.084 21 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 21 Q C 2.218 178.219 176.000 0.001 0.000 0.978 21 Q CA 1.365 57.179 55.803 0.019 0.000 0.844 21 Q CB -0.104 28.637 28.738 0.004 0.000 0.898 21 Q HN 0.200 nan 8.270 nan 0.000 0.426 22 A N 0.841 123.658 122.820 -0.006 0.000 1.902 22 A HA -0.243 4.078 4.320 0.000 0.000 0.217 22 A C 1.955 179.521 177.584 -0.030 0.000 1.181 22 A CA 1.639 53.660 52.037 -0.027 0.000 0.623 22 A CB -0.805 18.177 19.000 -0.030 0.000 0.818 22 A HN 0.453 nan 8.150 nan 0.000 0.443 23 H N -0.098 118.923 119.070 -0.083 0.000 2.428 23 H HA 0.050 4.606 4.556 0.000 0.000 0.296 23 H C 2.244 177.488 175.328 -0.140 0.000 1.062 23 H CA 1.405 57.365 56.048 -0.146 0.000 1.350 23 H CB -0.147 29.443 29.762 -0.287 0.000 1.403 23 H HN 0.406 nan 8.280 nan 0.000 0.533 24 A N 0.529 123.339 122.820 -0.018 0.000 1.902 24 A HA -0.107 4.213 4.320 0.000 0.000 0.217 24 A C 2.818 180.359 177.584 -0.071 0.000 1.181 24 A CA 1.659 53.687 52.037 -0.014 0.000 0.623 24 A CB -0.845 18.174 19.000 0.033 0.000 0.818 24 A HN 0.291 nan 8.150 nan 0.000 0.443 25 V N -0.347 119.517 119.914 -0.083 0.000 2.323 25 V HA -0.171 3.949 4.120 0.000 0.000 0.244 25 V C 3.051 179.048 176.094 -0.161 0.000 1.041 25 V CA 1.773 64.018 62.300 -0.092 0.000 1.025 25 V CB -1.198 30.577 31.823 -0.080 0.000 0.656 25 V HN 0.599 nan 8.190 nan 0.000 0.451 26 A N 0.768 123.455 122.820 -0.221 0.000 1.940 26 A HA -0.192 4.128 4.320 0.000 0.000 0.219 26 A C 2.365 179.734 177.584 -0.359 0.000 1.176 26 A CA 2.209 54.064 52.037 -0.304 0.000 0.631 26 A CB -0.613 18.217 19.000 -0.282 0.000 0.814 26 A HN 0.693 nan 8.150 nan 0.000 0.446 27 S N -2.155 113.353 115.700 -0.321 0.000 2.593 27 S HA 0.387 4.857 4.470 0.000 0.000 0.217 27 S C 1.379 176.106 174.600 0.212 0.000 0.966 27 S CA 1.004 59.163 58.200 -0.069 0.000 0.914 27 S CB -0.237 62.807 63.200 -0.261 0.000 0.776 27 S HN 1.916 nan 8.310 nan 0.000 0.523 28 G N 0.447 109.295 108.800 0.081 0.000 2.162 28 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 28 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 28 G C 0.902 175.870 174.900 0.112 0.000 0.976 28 G CA 0.165 45.373 45.100 0.181 0.000 0.655 28 G HN 0.945 nan 8.290 nan 0.000 0.533 29 G N -0.198 108.642 108.800 0.066 0.000 2.448 29 G HA2 0.503 4.463 3.960 0.000 0.000 0.218 29 G HA3 0.503 4.463 3.960 0.000 0.000 0.218 29 G C 0.740 175.665 174.900 0.042 0.000 1.135 29 G CA 1.804 46.940 45.100 0.060 0.000 0.784 29 G HN 1.813 nan 8.290 nan 0.000 0.543 30 A N -0.257 122.577 122.820 0.024 0.000 2.454 30 A HA 0.749 5.069 4.320 0.000 0.000 0.302 30 A C 0.053 177.640 177.584 0.005 0.000 1.079 30 A CA -0.898 51.149 52.037 0.016 0.000 0.731 30 A CB 1.266 20.273 19.000 0.012 0.000 1.299 30 A HN 0.421 nan 8.150 nan 0.000 0.413 31 R N 1.002 121.506 120.500 0.006 0.000 2.553 31 R HA 0.806 5.146 4.340 0.000 0.000 0.263 31 R C -0.822 175.473 176.300 -0.009 0.000 1.066 31 R CA -0.512 55.588 56.100 -0.001 0.000 1.135 31 R CB 0.977 31.280 30.300 0.004 0.000 1.148 31 R HN 0.634 nan 8.270 nan 0.000 0.558 32 I N 1.435 121.996 120.570 -0.015 0.000 2.569 32 I HA 0.426 4.596 4.170 0.000 0.000 0.296 32 I C -1.079 175.029 176.117 -0.014 0.000 1.028 32 I CA -1.208 60.081 61.300 -0.018 0.000 1.082 32 I CB 2.187 40.168 38.000 -0.030 0.000 1.264 32 I HN 0.645 nan 8.210 nan 0.000 0.429 33 V N 5.000 124.907 119.914 -0.012 0.000 2.789 33 V HA 0.566 4.686 4.120 0.000 0.000 0.311 33 V C -1.149 174.939 176.094 -0.010 0.000 1.073 33 V CA -0.895 61.399 62.300 -0.010 0.000 0.921 33 V CB 1.706 33.526 31.823 -0.005 0.000 1.009 33 V HN 0.670 nan 8.190 nan 0.000 0.426 34 L N 4.608 125.824 121.223 -0.011 0.000 2.281 34 L HA 0.811 5.151 4.340 0.000 0.000 0.285 34 L C 0.811 177.676 176.870 -0.008 0.000 1.074 34 L CA 0.353 55.187 54.840 -0.011 0.000 0.817 34 L CB 0.612 42.663 42.059 -0.014 0.000 1.168 34 L HN 1.143 nan 8.230 nan 0.000 0.434 35 A N 6.848 129.665 122.820 -0.005 0.000 2.445 35 A HA 0.388 4.708 4.320 0.000 0.000 0.242 35 A C -1.605 175.977 177.584 -0.003 0.000 1.075 35 A CA -0.808 51.227 52.037 -0.002 0.000 0.777 35 A CB -0.305 18.695 19.000 0.001 0.000 1.013 35 A HN 0.787 nan 8.150 nan 0.000 0.493 36 P HA -0.147 nan 4.420 nan 0.000 0.216 36 P C -1.460 175.838 177.300 -0.004 0.000 1.154 36 P CA 1.820 64.918 63.100 -0.004 0.000 0.865 36 P CB -0.738 30.960 31.700 -0.003 0.000 0.789 37 P HA -0.136 nan 4.420 nan 0.000 0.218 37 P C 1.375 178.674 177.300 -0.001 0.000 1.149 37 P CA 1.900 65.000 63.100 -0.000 0.000 0.817 37 P CB -0.575 31.126 31.700 0.002 0.000 0.785 38 A N -0.290 122.529 122.820 -0.002 0.000 1.897 38 A HA -0.168 4.152 4.320 0.000 0.000 0.215 38 A C 2.397 179.976 177.584 -0.008 0.000 1.181 38 A CA 1.361 53.396 52.037 -0.004 0.000 0.620 38 A CB -1.103 17.895 19.000 -0.005 0.000 0.821 38 A HN 0.005 nan 8.150 nan 0.000 0.443 39 R N -0.211 120.283 120.500 -0.010 0.000 2.083 39 R HA -0.178 4.162 4.340 0.000 0.000 0.237 39 R C 1.374 177.664 176.300 -0.016 0.000 1.137 39 R CA 1.987 58.078 56.100 -0.015 0.000 0.951 39 R CB -0.330 29.961 30.300 -0.014 0.000 0.851 39 R HN 0.444 nan 8.270 nan 0.000 0.434 40 D N 0.043 120.436 120.400 -0.012 0.000 2.117 40 D HA -0.176 4.464 4.640 0.000 0.000 0.198 40 D C 1.996 178.289 176.300 -0.011 0.000 0.982 40 D CA 1.559 55.553 54.000 -0.011 0.000 0.828 40 D CB -0.212 40.584 40.800 -0.008 0.000 0.967 40 D HN 0.475 nan 8.370 nan 0.000 0.464 41 R N 0.283 120.779 120.500 -0.007 0.000 2.148 41 R HA 0.018 4.358 4.340 0.000 0.000 0.223 41 R C 2.047 178.343 176.300 -0.007 0.000 1.088 41 R CA 1.032 57.130 56.100 -0.004 0.000 0.985 41 R CB -0.823 29.478 30.300 0.002 0.000 0.880 41 R HN 0.085 nan 8.270 nan 0.000 0.451 42 C N 0.806 120.098 119.300 -0.013 0.000 2.457 42 C HA 0.156 4.616 4.460 0.000 0.000 0.278 42 C C 2.627 177.596 174.990 -0.036 0.000 1.309 42 C CA 0.380 59.386 59.018 -0.020 0.000 1.735 42 C CB -0.796 26.930 27.740 -0.023 0.000 1.992 42 C HN 0.528 nan 8.230 nan 0.000 0.493 43 R N 1.095 121.573 120.500 -0.036 0.000 2.081 43 R HA -0.102 4.238 4.340 0.000 0.000 0.235 43 R C 2.385 178.659 176.300 -0.044 0.000 1.131 43 R CA 1.595 57.668 56.100 -0.046 0.000 0.960 43 R CB -0.434 29.844 30.300 -0.036 0.000 0.856 43 R HN 0.539 nan 8.270 nan 0.000 0.436 44 A N 0.101 122.903 122.820 -0.030 0.000 1.902 44 A HA -0.181 4.139 4.320 0.000 0.000 0.217 44 A C 2.164 179.727 177.584 -0.035 0.000 1.181 44 A CA 1.854 53.876 52.037 -0.025 0.000 0.623 44 A CB -0.561 18.432 19.000 -0.011 0.000 0.818 44 A HN 0.301 nan 8.150 nan 0.000 0.443 45 S N -0.875 114.805 115.700 -0.033 0.000 2.383 45 S HA -0.175 4.295 4.470 0.000 0.000 0.227 45 S C 2.010 176.542 174.600 -0.114 0.000 1.026 45 S CA 1.477 59.650 58.200 -0.045 0.000 0.981 45 S CB -0.312 62.887 63.200 -0.003 0.000 0.818 45 S HN 0.690 nan 8.310 nan 0.000 0.472 46 E N 0.415 120.554 120.200 -0.102 0.000 2.077 46 E HA -0.116 4.235 4.350 0.000 0.000 0.193 46 E C 2.037 178.563 176.600 -0.124 0.000 0.989 46 E CA 1.060 57.381 56.400 -0.131 0.000 0.800 46 E CB -0.356 29.267 29.700 -0.130 0.000 0.746 46 E HN 0.593 nan 8.360 nan 0.000 0.452 47 A N 1.175 123.941 122.820 -0.090 0.000 1.969 47 A HA -0.128 4.192 4.320 0.000 0.000 0.218 47 A C 2.143 179.676 177.584 -0.085 0.000 1.169 47 A CA 1.127 53.123 52.037 -0.068 0.000 0.635 47 A CB -0.359 18.616 19.000 -0.043 0.000 0.810 47 A HN 0.168 nan 8.150 nan 0.000 0.445 48 R N -1.191 119.243 120.500 -0.110 0.000 2.092 48 R HA -0.076 4.264 4.340 0.000 0.000 0.231 48 R C 2.089 178.247 176.300 -0.237 0.000 1.119 48 R CA 1.327 57.354 56.100 -0.122 0.000 0.970 48 R CB -0.508 29.742 30.300 -0.083 0.000 0.864 48 R HN 0.505 nan 8.270 nan 0.000 0.440 49 L N 0.478 121.466 121.223 -0.392 0.000 2.046 49 L HA -0.009 4.331 4.340 0.000 0.000 0.208 49 L C 2.116 178.852 176.870 -0.223 0.000 1.077 49 L CA 2.108 56.635 54.840 -0.523 0.000 0.747 49 L CB -1.013 40.729 42.059 -0.528 0.000 0.896 49 L HN 0.148 nan 8.230 nan 0.000 0.432 50 G N -1.001 107.719 108.800 -0.134 0.000 2.442 50 G HA2 -0.264 3.696 3.960 0.000 0.000 0.219 50 G HA3 -0.264 3.696 3.960 0.000 0.000 0.219 50 G C 1.572 176.447 174.900 -0.041 0.000 1.141 50 G CA 0.847 45.913 45.100 -0.056 0.000 0.763 50 G HN 0.657 nan 8.290 nan 0.000 0.554 51 A N -0.021 122.770 122.820 -0.048 0.000 1.929 51 A HA 0.168 4.488 4.320 0.000 0.000 0.216 51 A C 2.580 180.163 177.584 -0.002 0.000 1.176 51 A CA 1.566 53.592 52.037 -0.019 0.000 0.628 51 A CB -0.498 18.494 19.000 -0.014 0.000 0.816 51 A HN 0.232 nan 8.150 nan 0.000 0.444 52 V N 0.285 120.191 119.914 -0.014 0.000 2.343 52 V HA -0.269 3.851 4.120 0.000 0.000 0.247 52 V C 2.412 178.535 176.094 0.049 0.000 1.051 52 V CA 2.092 64.418 62.300 0.043 0.000 1.036 52 V CB -0.609 31.259 31.823 0.074 0.000 0.654 52 V HN 0.576 nan 8.190 nan 0.000 0.451 53 I N -0.485 120.095 120.570 0.017 0.000 2.202 53 I HA -0.225 3.945 4.170 0.000 0.000 0.242 53 I C 2.721 178.851 176.117 0.021 0.000 1.091 53 I CA 1.614 62.929 61.300 0.026 0.000 1.368 53 I CB -0.453 37.553 38.000 0.010 0.000 1.058 53 I HN 0.202 nan 8.210 nan 0.000 0.410 54 R N 1.387 121.894 120.500 0.011 0.000 2.105 54 R HA -0.199 4.142 4.340 0.000 0.000 0.239 54 R C 1.699 178.009 176.300 0.017 0.000 1.135 54 R CA 1.727 57.834 56.100 0.010 0.000 0.967 54 R CB -0.069 30.234 30.300 0.005 0.000 0.861 54 R HN 0.432 nan 8.270 nan 0.000 0.442 55 E N -0.556 119.659 120.200 0.025 0.000 2.489 55 E HA 0.098 4.448 4.350 0.000 0.000 0.193 55 E C 0.351 176.974 176.600 0.039 0.000 1.057 55 E CA 0.392 56.811 56.400 0.032 0.000 0.866 55 E CB 0.477 30.200 29.700 0.038 0.000 0.916 55 E HN 0.455 nan 8.360 nan 0.000 0.500 56 A N 2.043 124.888 122.820 0.042 0.000 2.822 56 A HA -0.231 4.089 4.320 0.000 0.000 0.287 56 A C 0.112 177.739 177.584 0.072 0.000 1.479 56 A CA 0.548 52.613 52.037 0.046 0.000 0.779 56 A CB -1.375 17.641 19.000 0.026 0.000 1.022 56 A HN 0.147 nan 8.150 nan 0.000 0.532 57 R N 0.180 120.738 120.500 0.097 0.000 2.679 57 R HA 0.083 4.423 4.340 0.000 0.000 0.268 57 R C 0.550 176.964 176.300 0.190 0.000 1.044 57 R CA -0.006 56.175 56.100 0.135 0.000 1.105 57 R CB 0.074 30.463 30.300 0.149 0.000 0.989 57 R HN 0.725 nan 8.270 nan 0.000 0.447 58 H N 1.907 121.016 119.070 0.066 0.000 3.160 58 H HA 0.212 4.768 4.556 0.000 0.000 0.257 58 H C -0.933 174.460 175.328 0.109 0.000 1.140 58 H CA -0.374 55.703 56.048 0.050 0.000 1.492 58 H CB 0.233 29.998 29.762 0.005 0.000 1.529 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.599 126.685 119.914 0.286 0.000 2.686 59 V HA -0.002 4.118 4.120 0.000 0.000 0.306 59 V C -0.748 175.547 176.094 0.334 0.000 1.065 59 V CA -0.997 61.499 62.300 0.327 0.000 0.894 59 V CB 1.300 33.316 31.823 0.322 0.000 1.004 59 V HN 0.672 nan 8.190 nan 0.000 0.424 60 Y N 3.902 124.428 120.300 0.376 0.000 2.805 60 Y HA 0.350 4.900 4.550 0.000 0.000 0.331 60 Y C 1.363 177.348 175.900 0.141 0.000 1.241 60 Y CA 1.892 60.111 58.100 0.199 0.000 1.546 60 Y CB 0.514 39.142 38.460 0.280 0.000 1.248 60 Y HN 1.063 nan 8.280 nan 0.000 0.559 61 G N 4.018 112.509 108.800 -0.514 0.000 2.225 61 G HA2 -0.299 3.661 3.960 0.000 0.000 0.254 61 G HA3 -0.299 3.661 3.960 0.000 0.000 0.254 61 G C 0.615 175.489 174.900 -0.043 0.000 0.988 61 G CA 0.554 45.499 45.100 -0.259 0.000 0.625 61 G HN 0.672 nan 8.290 nan 0.000 0.527 62 L N -0.062 121.164 121.223 0.006 0.000 2.577 62 L HA 0.300 4.640 4.340 0.000 0.000 0.225 62 L C 2.127 179.006 176.870 0.014 0.000 1.053 62 L CA 1.543 56.416 54.840 0.055 0.000 0.866 62 L CB 0.480 42.619 42.059 0.133 0.000 1.132 62 L HN 0.446 nan 8.230 nan 0.000 0.486 63 T N -3.955 110.604 114.554 0.009 0.000 3.332 63 T HA 0.190 4.540 4.350 0.000 0.000 0.304 63 T C 0.219 174.892 174.700 -0.044 0.000 0.971 63 T CA 0.070 62.169 62.100 -0.002 0.000 0.954 63 T CB 0.046 68.947 68.868 0.055 0.000 1.175 63 T HN 0.178 nan 8.240 nan 0.000 0.519 64 T N -1.802 112.664 114.554 -0.146 0.000 2.868 64 T HA 0.760 5.110 4.350 0.000 0.000 0.306 64 T C 0.594 174.994 174.700 -0.499 0.000 1.224 64 T CA -0.226 61.754 62.100 -0.199 0.000 1.012 64 T CB 1.431 70.275 68.868 -0.039 0.000 1.221 64 T HN 0.304 nan 8.240 nan 0.000 0.499 65 G N 0.164 108.729 108.800 -0.391 0.000 2.570 65 G HA2 0.530 4.490 3.960 0.000 0.000 0.276 65 G HA3 0.530 4.490 3.960 0.000 0.000 0.276 65 G C -1.016 173.426 174.900 -0.763 0.000 1.346 65 G CA -0.665 44.127 45.100 -0.514 0.000 1.034 65 G HN 0.566 nan 8.290 nan 0.000 0.512 66 F N -0.952 118.962 119.950 -0.060 0.000 2.507 66 F HA 0.610 5.137 4.527 0.000 0.000 0.327 66 F C 1.109 177.016 175.800 0.178 0.000 1.068 66 F CA 0.373 58.399 58.000 0.043 0.000 0.965 66 F CB 1.489 40.519 39.000 0.050 0.000 1.192 66 F HN 1.042 nan 8.300 nan 0.000 0.476 67 G N 2.074 111.185 108.800 0.519 0.000 2.574 67 G HA2 -0.279 3.681 3.960 0.000 0.000 0.286 67 G HA3 -0.279 3.681 3.960 0.000 0.000 0.286 67 G C -1.964 173.049 174.900 0.189 0.000 1.212 67 G CA -0.163 45.097 45.100 0.267 0.000 0.979 67 G HN 0.510 nan 8.290 nan 0.000 0.557 68 P HA 0.154 nan 4.420 nan 0.000 0.234 68 P C 1.650 178.989 177.300 0.066 0.000 1.167 68 P CA 0.680 63.826 63.100 0.077 0.000 0.763 68 P CB -0.058 31.673 31.700 0.053 0.000 0.835 69 L N -1.595 119.670 121.223 0.070 0.000 2.612 69 L HA 0.182 4.522 4.340 0.000 0.000 0.230 69 L C 1.966 178.842 176.870 0.010 0.000 1.140 69 L CA 0.052 54.909 54.840 0.028 0.000 0.896 69 L CB -0.572 41.493 42.059 0.010 0.000 1.065 69 L HN -0.038 nan 8.230 nan 0.000 0.447 70 A N 1.187 124.049 122.820 0.070 0.000 2.172 70 A HA -0.156 4.164 4.320 0.000 0.000 0.216 70 A C 1.977 179.598 177.584 0.063 0.000 1.154 70 A CA 1.254 53.339 52.037 0.080 0.000 0.701 70 A CB -0.466 18.688 19.000 0.257 0.000 0.789 70 A HN 0.637 nan 8.150 nan 0.000 0.465 71 N N -0.478 118.248 118.700 0.043 0.000 2.515 71 N HA -0.050 4.690 4.740 0.000 0.000 0.185 71 N C 0.062 175.565 175.510 -0.011 0.000 1.109 71 N CA 0.276 53.342 53.050 0.026 0.000 0.903 71 N CB -0.213 38.287 38.487 0.021 0.000 0.969 71 N HN 0.169 nan 8.380 nan 0.000 0.450 72 R N 1.112 121.597 120.500 -0.026 0.000 2.205 72 R HA 0.374 4.714 4.340 0.000 0.000 0.342 72 R C -0.168 176.088 176.300 -0.073 0.000 1.058 72 R CA -0.257 55.814 56.100 -0.049 0.000 0.904 72 R CB 0.560 30.830 30.300 -0.050 0.000 1.089 72 R HN 0.166 nan 8.270 nan 0.000 0.471 73 L N 3.984 125.158 121.223 -0.081 0.000 2.417 73 L HA 0.347 4.688 4.340 0.000 0.000 0.268 73 L C 0.181 177.000 176.870 -0.085 0.000 1.158 73 L CA -0.346 54.434 54.840 -0.099 0.000 0.819 73 L CB 0.551 42.529 42.059 -0.134 0.000 1.112 73 L HN 0.347 nan 8.230 nan 0.000 0.458 74 I N 1.318 121.837 120.570 -0.084 0.000 2.474 74 I HA 0.226 4.396 4.170 0.000 0.000 0.294 74 I C 0.309 176.397 176.117 -0.047 0.000 1.005 74 I CA -0.237 61.022 61.300 -0.069 0.000 1.113 74 I CB 1.718 39.665 38.000 -0.089 0.000 1.289 74 I HN 0.522 nan 8.210 nan 0.000 0.436 75 S N 2.974 118.653 115.700 -0.036 0.000 2.580 75 S HA 0.356 4.826 4.470 0.000 0.000 0.274 75 S C 1.451 176.040 174.600 -0.018 0.000 1.329 75 S CA 0.129 58.314 58.200 -0.025 0.000 1.036 75 S CB 1.264 64.451 63.200 -0.022 0.000 0.919 75 S HN 0.880 nan 8.310 nan 0.000 0.515 76 G N 2.903 111.696 108.800 -0.011 0.000 2.503 76 G HA2 -0.250 3.710 3.960 0.000 0.000 0.221 76 G HA3 -0.250 3.710 3.960 0.000 0.000 0.221 76 G C 1.257 176.152 174.900 -0.007 0.000 1.131 76 G CA 1.129 46.225 45.100 -0.006 0.000 0.756 76 G HN 0.894 nan 8.290 nan 0.000 0.572 77 E N 0.781 120.976 120.200 -0.008 0.000 2.418 77 E HA -0.052 4.298 4.350 0.000 0.000 0.197 77 E C 0.982 177.578 176.600 -0.007 0.000 1.026 77 E CA 0.575 56.971 56.400 -0.008 0.000 0.862 77 E CB -0.305 29.390 29.700 -0.008 0.000 0.799 77 E HN 0.384 nan 8.360 nan 0.000 0.518 78 N N 0.729 119.425 118.700 -0.007 0.000 2.203 78 N HA 0.061 4.801 4.740 0.000 0.000 0.207 78 N C 1.485 176.994 175.510 -0.000 0.000 1.130 78 N CA 0.135 53.183 53.050 -0.004 0.000 0.861 78 N CB 0.961 39.444 38.487 -0.008 0.000 1.005 78 N HN 0.019 nan 8.380 nan 0.000 0.507 79 V N 1.135 121.048 119.914 -0.001 0.000 2.407 79 V HA -0.183 3.937 4.120 0.000 0.000 0.248 79 V C 2.380 178.484 176.094 0.017 0.000 1.055 79 V CA 1.341 63.646 62.300 0.008 0.000 1.049 79 V CB -0.221 31.608 31.823 0.010 0.000 0.662 79 V HN 0.204 nan 8.190 nan 0.000 0.455 80 R N 0.331 120.834 120.500 0.006 0.000 2.083 80 R HA -0.123 4.217 4.340 0.000 0.000 0.237 80 R C 2.370 178.672 176.300 0.002 0.000 1.137 80 R CA 1.958 58.058 56.100 -0.000 0.000 0.951 80 R CB -1.522 28.773 30.300 -0.009 0.000 0.851 80 R HN 0.517 nan 8.270 nan 0.000 0.434 81 T N 2.349 116.909 114.554 0.011 0.000 2.737 81 T HA -0.112 4.238 4.350 0.000 0.000 0.265 81 T C 1.894 176.617 174.700 0.038 0.000 1.038 81 T CA 1.082 63.195 62.100 0.020 0.000 1.144 81 T CB -0.325 68.559 68.868 0.026 0.000 0.866 81 T HN 0.082 nan 8.240 nan 0.000 0.434 82 L N 1.391 122.646 121.223 0.053 0.000 1.990 82 L HA -0.193 4.147 4.340 0.000 0.000 0.213 82 L C 2.421 179.400 176.870 0.181 0.000 1.072 82 L CA 1.895 56.802 54.840 0.112 0.000 0.755 82 L CB -0.683 41.411 42.059 0.060 0.000 0.889 82 L HN 0.276 nan 8.230 nan 0.000 0.432 83 Q N -1.000 118.867 119.800 0.112 0.000 2.172 83 Q HA -0.087 4.253 4.340 0.000 0.000 0.200 83 Q C 2.221 178.177 176.000 -0.074 0.000 0.964 83 Q CA 1.204 57.042 55.803 0.059 0.000 0.855 83 Q CB -0.296 28.470 28.738 0.047 0.000 0.918 83 Q HN 0.714 nan 8.270 nan 0.000 0.444 84 A N 1.668 124.427 122.820 -0.102 0.000 1.930 84 A HA -0.175 4.145 4.320 0.000 0.000 0.217 84 A C 1.728 179.044 177.584 -0.445 0.000 1.175 84 A CA 1.356 53.230 52.037 -0.272 0.000 0.627 84 A CB -0.304 18.580 19.000 -0.192 0.000 0.815 84 A HN 0.261 nan 8.150 nan 0.000 0.443 85 N N -0.332 118.285 118.700 -0.139 0.000 2.396 85 N HA -0.072 4.668 4.740 0.000 0.000 0.180 85 N C 1.504 177.054 175.510 0.067 0.000 1.028 85 N CA 1.057 54.126 53.050 0.031 0.000 0.893 85 N CB -0.380 38.200 38.487 0.155 0.000 0.967 85 N HN 0.469 nan 8.380 nan 0.000 0.440 86 L N 0.722 121.915 121.223 -0.049 0.000 1.994 86 L HA -0.063 4.278 4.340 0.000 0.000 0.208 86 L C 1.893 178.484 176.870 -0.466 0.000 1.071 86 L CA 1.416 56.081 54.840 -0.292 0.000 0.745 86 L CB -0.682 41.024 42.059 -0.588 0.000 0.892 86 L HN -0.132 nan 8.230 nan 0.000 0.431 87 V N -0.182 119.518 119.914 -0.357 0.000 2.343 87 V HA -0.339 3.781 4.120 0.000 0.000 0.247 87 V C 2.395 178.344 176.094 -0.241 0.000 1.051 87 V CA 2.224 64.328 62.300 -0.327 0.000 1.036 87 V CB -1.044 30.609 31.823 -0.283 0.000 0.654 87 V HN 0.622 nan 8.190 nan 0.000 0.451 88 H N -0.349 118.618 119.070 -0.173 0.000 2.270 88 H HA -0.194 4.363 4.556 0.000 0.000 0.299 88 H C 2.397 177.660 175.328 -0.107 0.000 1.077 88 H CA 1.743 57.723 56.048 -0.114 0.000 1.294 88 H CB -0.268 29.476 29.762 -0.030 0.000 1.371 88 H HN 0.659 nan 8.280 nan 0.000 0.491 89 H N 0.707 119.808 119.070 0.052 0.000 2.456 89 H HA -0.076 4.480 4.556 0.000 0.000 0.296 89 H C 1.950 177.251 175.328 -0.045 0.000 1.079 89 H CA 1.005 57.054 56.048 0.001 0.000 1.322 89 H CB -0.321 29.445 29.762 0.006 0.000 1.388 89 H HN 0.331 nan 8.280 nan 0.000 0.538 90 L N 0.979 121.842 121.223 -0.601 0.000 2.313 90 L HA 0.088 4.429 4.340 0.000 0.000 0.214 90 L C 1.959 178.668 176.870 -0.268 0.000 1.119 90 L CA 0.421 54.993 54.840 -0.446 0.000 0.809 90 L CB -0.156 41.577 42.059 -0.544 0.000 0.933 90 L HN 0.287 nan 8.230 nan 0.000 0.449 91 A N 0.000 122.635 122.820 -0.310 0.000 3.029 91 A HA 0.132 4.452 4.320 0.000 0.000 0.251 91 A C 1.258 178.784 177.584 -0.097 0.000 1.749 91 A CA 0.353 52.087 52.037 -0.506 0.000 1.386 91 A CB -0.650 18.025 19.000 -0.543 0.000 1.043 91 A HN 0.372 nan 8.150 nan 0.000 0.638 92 S N -0.617 115.118 115.700 0.059 0.000 2.575 92 S HA 0.376 4.846 4.470 0.000 0.000 0.237 92 S C 0.875 175.573 174.600 0.163 0.000 0.975 92 S CA 0.083 58.351 58.200 0.113 0.000 0.960 92 S CB 0.044 63.283 63.200 0.065 0.000 0.822 92 S HN 0.746 nan 8.310 nan 0.000 0.472 93 G N 1.482 110.487 108.800 0.341 0.000 2.544 93 G HA2 0.508 4.468 3.960 0.000 0.000 0.242 93 G HA3 0.508 4.468 3.960 0.000 0.000 0.242 93 G C -0.157 174.727 174.900 -0.027 0.000 1.247 93 G CA 0.088 45.250 45.100 0.103 0.000 0.840 93 G HN 1.037 nan 8.290 nan 0.000 0.578 94 V N -1.197 118.689 119.914 -0.047 0.000 3.182 94 V HA 1.030 5.150 4.120 0.000 0.000 0.308 94 V C 0.536 176.597 176.094 -0.055 0.000 1.240 94 V CA -0.140 62.130 62.300 -0.050 0.000 1.063 94 V CB 1.091 32.904 31.823 -0.015 0.000 1.076 94 V HN 2.552 nan 8.190 nan 0.000 0.446 95 G N 0.522 109.296 108.800 -0.044 0.000 2.663 95 G HA2 0.076 4.036 3.960 0.000 0.000 0.686 95 G HA3 0.076 4.036 3.960 0.000 0.000 0.686 95 G C -2.724 172.152 174.900 -0.040 0.000 1.288 95 G CA -0.314 44.766 45.100 -0.034 0.000 0.836 95 G HN 1.120 nan 8.290 nan 0.000 0.584 96 P HA 0.379 nan 4.420 nan 0.000 0.267 96 P C 0.897 178.180 177.300 -0.028 0.000 1.200 96 P CA 0.503 63.591 63.100 -0.019 0.000 0.772 96 P CB 0.678 32.376 31.700 -0.003 0.000 0.855 97 V N 1.334 121.232 119.914 -0.027 0.000 3.051 97 V HA 0.171 4.291 4.120 0.000 0.000 0.306 97 V C 0.683 176.773 176.094 -0.007 0.000 1.083 97 V CA -0.697 61.583 62.300 -0.033 0.000 1.104 97 V CB -0.451 31.356 31.823 -0.027 0.000 1.027 97 V HN 0.296 nan 8.190 nan 0.000 0.483 98 L N 2.533 123.750 121.223 -0.011 0.000 2.461 98 L HA 0.258 4.598 4.340 0.000 0.000 0.272 98 L C 0.663 177.558 176.870 0.041 0.000 1.197 98 L CA -0.201 54.645 54.840 0.010 0.000 0.836 98 L CB 0.188 42.244 42.059 -0.004 0.000 1.105 98 L HN 1.029 nan 8.230 nan 0.000 0.477 99 D N -0.034 120.405 120.400 0.066 0.000 2.368 99 D HA -0.122 4.518 4.640 0.000 0.000 0.240 99 D C 0.727 177.126 176.300 0.166 0.000 1.169 99 D CA -0.423 53.648 54.000 0.118 0.000 0.906 99 D CB 0.555 41.428 40.800 0.122 0.000 1.187 99 D HN 0.547 nan 8.370 nan 0.000 0.435 100 W N 1.292 122.597 121.300 0.009 0.000 2.301 100 W HA -0.297 4.363 4.660 0.000 0.000 0.325 100 W C 2.194 178.710 176.519 -0.005 0.000 1.250 100 W CA 2.638 59.988 57.345 0.008 0.000 1.261 100 W CB -0.792 28.674 29.460 0.011 0.000 1.157 100 W HN 0.448 nan 8.180 nan 0.000 0.473 101 T N -0.198 114.527 114.554 0.284 0.000 2.746 101 T HA -0.220 4.130 4.350 0.000 0.000 0.267 101 T C 1.563 176.207 174.700 -0.093 0.000 1.039 101 T CA 2.313 64.423 62.100 0.018 0.000 1.142 101 T CB -0.899 68.056 68.868 0.146 0.000 0.866 101 T HN 0.198 nan 8.240 nan 0.000 0.444 102 T N 1.971 116.523 114.554 -0.003 0.000 2.737 102 T HA 0.008 4.358 4.350 0.000 0.000 0.265 102 T C 2.438 177.102 174.700 -0.061 0.000 1.038 102 T CA 1.126 63.217 62.100 -0.014 0.000 1.144 102 T CB -0.575 68.311 68.868 0.030 0.000 0.866 102 T HN 0.429 nan 8.240 nan 0.000 0.434 103 A N 1.768 124.544 122.820 -0.074 0.000 1.908 103 A HA -0.147 4.173 4.320 0.000 0.000 0.218 103 A C 2.370 179.861 177.584 -0.155 0.000 1.181 103 A CA 1.564 53.542 52.037 -0.098 0.000 0.627 103 A CB -0.500 18.447 19.000 -0.088 0.000 0.818 103 A HN 0.415 nan 8.150 nan 0.000 0.445 104 R N -0.659 119.686 120.500 -0.260 0.000 2.092 104 R HA -0.002 4.338 4.340 0.000 0.000 0.231 104 R C 2.428 178.604 176.300 -0.206 0.000 1.119 104 R CA 1.048 56.967 56.100 -0.303 0.000 0.970 104 R CB -0.414 29.562 30.300 -0.540 0.000 0.864 104 R HN 0.512 nan 8.270 nan 0.000 0.440 105 A N 1.101 123.818 122.820 -0.172 0.000 1.933 105 A HA -0.188 4.132 4.320 0.000 0.000 0.218 105 A C 2.108 179.642 177.584 -0.083 0.000 1.175 105 A CA 1.321 53.290 52.037 -0.115 0.000 0.628 105 A CB -0.444 18.512 19.000 -0.073 0.000 0.814 105 A HN 0.328 nan 8.150 nan 0.000 0.444 106 M N -0.358 119.196 119.600 -0.076 0.000 2.132 106 M HA -0.107 4.373 4.480 0.000 0.000 0.263 106 M C 1.863 178.126 176.300 -0.061 0.000 1.065 106 M CA 1.830 57.097 55.300 -0.056 0.000 1.122 106 M CB -0.199 32.373 32.600 -0.048 0.000 1.365 106 M HN 0.194 nan 8.290 nan 0.000 0.411 107 V N 1.075 120.941 119.914 -0.079 0.000 2.343 107 V HA -0.275 3.845 4.120 0.000 0.000 0.247 107 V C 2.410 178.464 176.094 -0.067 0.000 1.051 107 V CA 1.697 63.954 62.300 -0.071 0.000 1.036 107 V CB -0.906 30.867 31.823 -0.083 0.000 0.654 107 V HN 0.574 nan 8.190 nan 0.000 0.451 108 L N 0.939 122.113 121.223 -0.082 0.000 2.046 108 L HA -0.106 4.234 4.340 0.000 0.000 0.208 108 L C 2.447 179.280 176.870 -0.061 0.000 1.077 108 L CA 2.396 57.191 54.840 -0.075 0.000 0.747 108 L CB -0.988 41.017 42.059 -0.091 0.000 0.896 108 L HN 0.224 nan 8.230 nan 0.000 0.432 109 A N -0.472 122.314 122.820 -0.057 0.000 1.908 109 A HA -0.267 4.053 4.320 0.000 0.000 0.218 109 A C 2.465 180.026 177.584 -0.038 0.000 1.181 109 A CA 1.874 53.882 52.037 -0.048 0.000 0.627 109 A CB -0.618 18.358 19.000 -0.041 0.000 0.818 109 A HN 0.477 nan 8.150 nan 0.000 0.445 110 R N -0.638 119.841 120.500 -0.034 0.000 2.081 110 R HA -0.081 4.259 4.340 0.000 0.000 0.235 110 R C 1.947 178.233 176.300 -0.022 0.000 1.131 110 R CA 1.565 57.651 56.100 -0.023 0.000 0.960 110 R CB -0.688 29.599 30.300 -0.023 0.000 0.856 110 R HN 0.455 nan 8.270 nan 0.000 0.436 111 L N -0.160 121.045 121.223 -0.030 0.000 2.017 111 L HA -0.105 4.235 4.340 0.000 0.000 0.208 111 L C 1.920 178.773 176.870 -0.029 0.000 1.073 111 L CA 1.659 56.482 54.840 -0.029 0.000 0.745 111 L CB -0.548 41.490 42.059 -0.036 0.000 0.894 111 L HN 0.065 nan 8.230 nan 0.000 0.432 112 V N -0.895 118.996 119.914 -0.038 0.000 2.392 112 V HA -0.286 3.834 4.120 0.000 0.000 0.249 112 V C 2.786 178.861 176.094 -0.031 0.000 1.059 112 V CA 1.844 64.118 62.300 -0.042 0.000 1.051 112 V CB -0.960 30.826 31.823 -0.062 0.000 0.658 112 V HN 0.663 nan 8.190 nan 0.000 0.455 113 S N -0.329 115.355 115.700 -0.025 0.000 2.356 113 S HA -0.143 4.327 4.470 0.000 0.000 0.223 113 S C 1.928 176.527 174.600 -0.002 0.000 1.032 113 S CA 1.676 59.867 58.200 -0.015 0.000 1.005 113 S CB -0.347 62.848 63.200 -0.009 0.000 0.867 113 S HN 0.526 nan 8.310 nan 0.000 0.449 114 I N 1.733 122.303 120.570 -0.000 0.000 2.286 114 I HA -0.142 4.028 4.170 0.000 0.000 0.248 114 I C 2.717 178.836 176.117 0.004 0.000 1.115 114 I CA 1.052 62.357 61.300 0.009 0.000 1.392 114 I CB -0.505 37.497 38.000 0.003 0.000 1.065 114 I HN 0.380 nan 8.210 nan 0.000 0.418 115 A N 0.106 122.923 122.820 -0.006 0.000 2.131 115 A HA -0.207 4.113 4.320 0.000 0.000 0.220 115 A C 2.073 179.657 177.584 0.001 0.000 1.158 115 A CA 1.225 53.258 52.037 -0.006 0.000 0.665 115 A CB -0.346 18.647 19.000 -0.013 0.000 0.795 115 A HN 0.418 nan 8.150 nan 0.000 0.460 116 Q N -1.207 118.595 119.800 0.004 0.000 2.435 116 Q HA 0.091 4.431 4.340 0.000 0.000 0.207 116 Q C 1.240 177.250 176.000 0.016 0.000 0.956 116 Q CA 0.783 56.592 55.803 0.009 0.000 0.917 116 Q CB -0.552 28.190 28.738 0.006 0.000 0.997 116 Q HN 1.057 nan 8.270 nan 0.000 0.497 117 G N 0.524 109.337 108.800 0.021 0.000 2.212 117 G HA2 -0.207 3.753 3.960 0.000 0.000 0.255 117 G HA3 -0.207 3.753 3.960 0.000 0.000 0.255 117 G C 0.460 175.394 174.900 0.057 0.000 1.062 117 G CA 0.410 45.528 45.100 0.029 0.000 0.815 117 G HN 0.523 nan 8.290 nan 0.000 0.497 118 A N -1.044 121.823 122.820 0.079 0.000 2.635 118 A HA 0.727 5.047 4.320 0.000 0.000 0.279 118 A C 1.663 179.383 177.584 0.226 0.000 1.122 118 A CA 1.372 53.487 52.037 0.130 0.000 0.965 118 A CB 0.288 19.326 19.000 0.064 0.000 1.221 118 A HN 0.761 nan 8.150 nan 0.000 0.566 119 S N -1.218 114.601 115.700 0.199 0.000 2.497 119 S HA 0.366 4.836 4.470 0.000 0.000 0.218 119 S C 1.571 176.334 174.600 0.273 0.000 1.023 119 S CA 0.752 59.099 58.200 0.246 0.000 0.913 119 S CB 0.421 63.693 63.200 0.120 0.000 0.800 119 S HN 1.654 nan 8.310 nan 0.000 0.505 120 G N 1.852 110.712 108.800 0.100 0.000 2.179 120 G HA2 -0.231 3.729 3.960 0.000 0.000 0.260 120 G HA3 -0.231 3.729 3.960 0.000 0.000 0.260 120 G C 0.252 175.111 174.900 -0.068 0.000 0.977 120 G CA -0.005 45.034 45.100 -0.103 0.000 0.641 120 G HN 0.913 nan 8.290 nan 0.000 0.533 121 A N 0.539 123.351 122.820 -0.013 0.000 2.565 121 A HA 0.558 4.878 4.320 0.000 0.000 0.237 121 A C 1.196 178.728 177.584 -0.087 0.000 1.053 121 A CA 1.138 53.157 52.037 -0.030 0.000 0.755 121 A CB 0.111 19.105 19.000 -0.010 0.000 0.980 121 A HN 2.073 nan 8.150 nan 0.000 0.506 122 S N 1.827 117.448 115.700 -0.133 0.000 2.614 122 S HA 0.172 4.642 4.470 0.000 0.000 0.265 122 S C 0.776 175.276 174.600 -0.167 0.000 1.303 122 S CA 0.145 58.191 58.200 -0.257 0.000 1.000 122 S CB 0.711 63.597 63.200 -0.525 0.000 0.935 122 S HN 0.722 nan 8.310 nan 0.000 0.551 123 E N 1.579 121.676 120.200 -0.172 0.000 2.085 123 E HA -0.128 4.223 4.350 0.000 0.000 0.194 123 E C 2.141 178.701 176.600 -0.067 0.000 0.994 123 E CA 1.260 57.602 56.400 -0.097 0.000 0.801 123 E CB -0.778 28.873 29.700 -0.082 0.000 0.743 123 E HN 0.908 nan 8.360 nan 0.000 0.453 124 G N 0.453 109.211 108.800 -0.071 0.000 2.418 124 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 124 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 124 G C 1.626 176.519 174.900 -0.012 0.000 1.158 124 G CA 1.254 46.342 45.100 -0.021 0.000 0.771 124 G HN 0.186 nan 8.290 nan 0.000 0.545 125 T N 1.305 115.845 114.554 -0.023 0.000 2.708 125 T HA -0.048 4.302 4.350 0.000 0.000 0.266 125 T C 2.390 177.081 174.700 -0.014 0.000 1.037 125 T CA 0.975 63.069 62.100 -0.009 0.000 1.146 125 T CB -0.157 68.704 68.868 -0.011 0.000 0.865 125 T HN 0.244 nan 8.240 nan 0.000 0.435 126 I N 1.291 121.846 120.570 -0.026 0.000 2.226 126 I HA -0.175 3.995 4.170 0.000 0.000 0.245 126 I C 2.878 178.985 176.117 -0.018 0.000 1.100 126 I CA 1.036 62.322 61.300 -0.023 0.000 1.374 126 I CB -0.444 37.539 38.000 -0.029 0.000 1.057 126 I HN 0.187 nan 8.210 nan 0.000 0.413 127 A N 0.814 123.624 122.820 -0.017 0.000 1.933 127 A HA -0.191 4.130 4.320 0.000 0.000 0.218 127 A C 2.332 179.913 177.584 -0.004 0.000 1.175 127 A CA 1.341 53.371 52.037 -0.012 0.000 0.628 127 A CB -0.418 18.576 19.000 -0.010 0.000 0.814 127 A HN 0.256 nan 8.150 nan 0.000 0.444 128 R N -0.204 120.297 120.500 0.002 0.000 2.096 128 R HA -0.034 4.306 4.340 0.000 0.000 0.235 128 R C 2.000 178.307 176.300 0.012 0.000 1.127 128 R CA 1.171 57.279 56.100 0.014 0.000 0.968 128 R CB -0.958 29.356 30.300 0.024 0.000 0.861 128 R HN 0.604 nan 8.270 nan 0.000 0.440 129 L N 0.059 121.282 121.223 -0.001 0.000 2.072 129 L HA -0.062 4.278 4.340 0.000 0.000 0.205 129 L C 2.470 179.329 176.870 -0.019 0.000 1.079 129 L CA 1.020 55.853 54.840 -0.010 0.000 0.752 129 L CB -0.435 41.613 42.059 -0.018 0.000 0.906 129 L HN 0.050 nan 8.230 nan 0.000 0.436 130 I N -0.028 120.531 120.570 -0.018 0.000 2.252 130 I HA -0.274 3.896 4.170 0.000 0.000 0.245 130 I C 2.109 178.215 176.117 -0.019 0.000 1.102 130 I CA 1.130 62.416 61.300 -0.022 0.000 1.385 130 I CB -0.351 37.637 38.000 -0.019 0.000 1.064 130 I HN 0.251 nan 8.210 nan 0.000 0.414 131 D N 0.765 121.158 120.400 -0.011 0.000 2.097 131 D HA -0.178 4.462 4.640 0.000 0.000 0.195 131 D C 2.146 178.440 176.300 -0.010 0.000 0.989 131 D CA 0.966 54.960 54.000 -0.010 0.000 0.827 131 D CB -0.355 40.441 40.800 -0.006 0.000 0.966 131 D HN 0.147 nan 8.370 nan 0.000 0.456 132 L N 0.828 122.052 121.223 0.000 0.000 2.012 132 L HA -0.161 4.180 4.340 0.000 0.000 0.210 132 L C 2.155 179.005 176.870 -0.033 0.000 1.073 132 L CA 1.453 56.299 54.840 0.009 0.000 0.748 132 L CB -0.876 41.207 42.059 0.041 0.000 0.891 132 L HN 0.101 nan 8.230 nan 0.000 0.431 133 L N 0.069 121.259 121.223 -0.054 0.000 2.131 133 L HA -0.209 4.131 4.340 0.000 0.000 0.210 133 L C 2.071 178.908 176.870 -0.056 0.000 1.092 133 L CA 0.974 55.762 54.840 -0.087 0.000 0.759 133 L CB -0.602 41.407 42.059 -0.084 0.000 0.903 133 L HN 0.367 nan 8.230 nan 0.000 0.435 134 N N -0.452 118.232 118.700 -0.028 0.000 2.463 134 N HA -0.027 4.713 4.740 0.000 0.000 0.181 134 N C 1.020 176.538 175.510 0.012 0.000 1.078 134 N CA 0.512 53.557 53.050 -0.008 0.000 0.902 134 N CB 0.079 38.562 38.487 -0.007 0.000 0.970 134 N HN 0.358 nan 8.380 nan 0.000 0.451 135 S N 0.180 115.887 115.700 0.011 0.000 2.671 135 S HA 0.249 4.719 4.470 0.000 0.000 0.272 135 S C 0.755 175.417 174.600 0.105 0.000 1.174 135 S CA -0.397 57.823 58.200 0.033 0.000 1.004 135 S CB 1.192 64.393 63.200 0.002 0.000 1.077 135 S HN -0.056 nan 8.310 nan 0.000 0.553 136 E N 0.070 120.361 120.200 0.152 0.000 2.451 136 E HA 0.364 4.714 4.350 0.000 0.000 0.194 136 E C -0.214 176.687 176.600 0.501 0.000 1.027 136 E CA -0.023 56.569 56.400 0.319 0.000 0.914 136 E CB -0.170 29.633 29.700 0.172 0.000 1.054 136 E HN 0.496 nan 8.360 nan 0.000 0.461 137 L N -0.152 121.263 121.223 0.319 0.000 2.304 137 L HA 0.781 5.121 4.340 0.000 0.000 0.268 137 L C -0.042 176.921 176.870 0.155 0.000 1.010 137 L CA -1.127 53.928 54.840 0.357 0.000 0.813 137 L CB 1.599 43.754 42.059 0.160 0.000 1.315 137 L HN -0.159 nan 8.230 nan 0.000 0.445 138 A N 0.932 123.877 122.820 0.210 0.000 2.515 138 A HA 0.829 5.150 4.320 0.000 0.000 0.298 138 A C -2.812 174.847 177.584 0.125 0.000 1.059 138 A CA -1.408 50.615 52.037 -0.023 0.000 0.698 138 A CB 1.904 20.717 19.000 -0.312 0.000 1.289 138 A HN 0.372 nan 8.150 nan 0.000 0.404 139 P HA 0.395 nan 4.420 nan 0.000 0.274 139 P C -0.395 176.821 177.300 -0.139 0.000 1.231 139 P CA 0.025 62.983 63.100 -0.236 0.000 0.790 139 P CB 1.278 32.843 31.700 -0.224 0.000 0.951 140 A N 2.933 125.648 122.820 -0.175 0.000 2.294 140 A HA 0.489 4.809 4.320 0.000 0.000 0.316 140 A C -0.313 177.204 177.584 -0.111 0.000 1.359 140 A CA -0.460 51.524 52.037 -0.089 0.000 0.956 140 A CB -0.222 18.740 19.000 -0.062 0.000 1.155 140 A HN 0.343 nan 8.150 nan 0.000 0.544 141 V N 5.691 125.546 119.914 -0.099 0.000 2.540 141 V HA 0.426 4.546 4.120 0.000 0.000 0.302 141 V C -2.223 173.773 176.094 -0.163 0.000 1.035 141 V CA -1.773 60.448 62.300 -0.131 0.000 0.873 141 V CB 2.140 33.921 31.823 -0.069 0.000 0.992 141 V HN 0.812 nan 8.190 nan 0.000 0.428 142 P HA 0.071 nan 4.420 nan 0.000 0.268 142 P C 0.672 177.897 177.300 -0.125 0.000 1.205 142 P CA 0.104 63.070 63.100 -0.224 0.000 0.771 142 P CB 0.963 32.454 31.700 -0.348 0.000 0.858 143 S N 2.554 118.211 115.700 -0.071 0.000 2.470 143 S HA 0.033 4.503 4.470 0.000 0.000 0.225 143 S C 0.841 175.429 174.600 -0.020 0.000 1.006 143 S CA 0.107 58.287 58.200 -0.034 0.000 0.934 143 S CB -0.076 63.115 63.200 -0.015 0.000 0.778 143 S HN 0.407 nan 8.310 nan 0.000 0.517 144 R N -0.245 120.239 120.500 -0.026 0.000 2.732 144 R HA 0.629 4.969 4.340 0.000 0.000 0.278 144 R C 0.733 177.033 176.300 0.000 0.000 0.976 144 R CA 0.008 56.103 56.100 -0.008 0.000 0.963 144 R CB 1.607 31.903 30.300 -0.007 0.000 1.150 144 R HN 0.319 nan 8.270 nan 0.000 0.478 145 G N 0.219 109.028 108.800 0.014 0.000 2.813 145 G HA2 -0.210 3.751 3.960 0.000 0.000 0.194 145 G HA3 -0.210 3.751 3.960 0.000 0.000 0.194 145 G C 0.054 174.970 174.900 0.027 0.000 1.010 145 G CA -0.052 45.064 45.100 0.027 0.000 0.771 145 G HN 0.603 nan 8.290 nan 0.000 0.485 146 T N 0.666 115.234 114.554 0.023 0.000 2.902 146 T HA 0.534 4.884 4.350 0.000 0.000 0.283 146 T C 1.408 176.124 174.700 0.027 0.000 1.009 146 T CA 0.454 62.566 62.100 0.021 0.000 1.051 146 T CB 1.665 70.543 68.868 0.017 0.000 0.999 146 T HN 1.160 nan 8.240 nan 0.000 0.474 147 V N 1.290 121.222 119.914 0.030 0.000 3.444 147 V HA 0.612 4.732 4.120 0.000 0.000 0.308 147 V C 1.153 177.277 176.094 0.050 0.000 1.371 147 V CA 0.222 62.546 62.300 0.041 0.000 1.141 147 V CB -1.322 30.527 31.823 0.043 0.000 1.037 147 V HN 1.394 nan 8.190 nan 0.000 0.433 153 L N -0.285 120.903 121.223 -0.058 0.000 2.012 153 L HA -0.151 4.189 4.340 0.000 0.000 0.210 153 L C 2.372 179.185 176.870 -0.094 0.000 1.073 153 L CA 1.471 56.253 54.840 -0.096 0.000 0.748 153 L CB -0.613 41.367 42.059 -0.132 0.000 0.891 153 L HN 0.101 nan 8.230 nan 0.000 0.431 154 T N 0.367 114.889 114.554 -0.052 0.000 2.674 154 T HA -0.082 4.268 4.350 0.000 0.000 0.265 154 T C -0.448 174.301 174.700 0.081 0.000 1.039 154 T CA 1.699 63.793 62.100 -0.010 0.000 1.150 154 T CB -1.100 67.793 68.868 0.042 0.000 0.864 154 T HN 0.305 nan 8.240 nan 0.000 0.427 155 P HA -0.001 nan 4.420 nan 0.000 0.217 155 P C 1.549 178.875 177.300 0.044 0.000 1.150 155 P CA 1.016 64.164 63.100 0.081 0.000 0.832 155 P CB -0.230 31.483 31.700 0.022 0.000 0.787 156 L N -0.744 120.473 121.223 -0.010 0.000 2.156 156 L HA -0.068 4.272 4.340 0.000 0.000 0.208 156 L C 2.778 179.605 176.870 -0.072 0.000 1.095 156 L CA 1.239 56.055 54.840 -0.040 0.000 0.770 156 L CB -1.022 41.007 42.059 -0.050 0.000 0.914 156 L HN -0.060 nan 8.230 nan 0.000 0.439 157 A N -0.868 121.882 122.820 -0.117 0.000 1.898 157 A HA -0.214 4.106 4.320 0.000 0.000 0.216 157 A C 2.131 179.593 177.584 -0.203 0.000 1.181 157 A CA 1.249 53.164 52.037 -0.203 0.000 0.620 157 A CB -0.695 18.122 19.000 -0.305 0.000 0.819 157 A HN 0.394 nan 8.150 nan 0.000 0.442 158 H N -1.057 117.958 119.070 -0.092 0.000 2.387 158 H HA -0.109 4.447 4.556 0.000 0.000 0.299 158 H C 2.090 177.350 175.328 -0.113 0.000 1.090 158 H CA 1.785 57.779 56.048 -0.090 0.000 1.332 158 H CB -0.287 29.427 29.762 -0.081 0.000 1.386 158 H HN 0.626 nan 8.280 nan 0.000 0.516 159 M N 0.525 120.124 119.600 -0.001 0.000 2.086 159 M HA -0.147 4.333 4.480 0.000 0.000 0.261 159 M C 2.108 178.360 176.300 -0.079 0.000 1.067 159 M CA 1.344 56.606 55.300 -0.064 0.000 1.116 159 M CB -0.160 32.408 32.600 -0.053 0.000 1.348 159 M HN -0.015 nan 8.290 nan 0.000 0.407 160 V N 1.441 121.312 119.914 -0.072 0.000 2.287 160 V HA -0.315 3.805 4.120 0.000 0.000 0.248 160 V C 2.493 178.550 176.094 -0.062 0.000 1.053 160 V CA 1.981 64.241 62.300 -0.066 0.000 1.027 160 V CB -0.807 30.965 31.823 -0.085 0.000 0.646 160 V HN 0.558 nan 8.190 nan 0.000 0.447 161 L N -0.796 120.382 121.223 -0.075 0.000 2.042 161 L HA -0.256 4.084 4.340 0.000 0.000 0.210 161 L C 2.669 179.500 176.870 -0.064 0.000 1.076 161 L CA 1.840 56.650 54.840 -0.052 0.000 0.749 161 L CB -0.816 41.216 42.059 -0.045 0.000 0.893 161 L HN 0.418 nan 8.230 nan 0.000 0.432 162 C N -0.173 119.044 119.300 -0.139 0.000 2.432 162 C HA -0.161 4.299 4.460 0.000 0.000 0.277 162 C C 2.682 177.551 174.990 -0.202 0.000 1.249 162 C CA 0.449 59.270 59.018 -0.328 0.000 1.725 162 C CB -0.888 26.511 27.740 -0.570 0.000 2.028 162 C HN 0.445 nan 8.230 nan 0.000 0.477 163 L N 0.305 121.488 121.223 -0.066 0.000 2.362 163 L HA -0.155 4.185 4.340 0.000 0.000 0.219 163 L C 2.413 179.353 176.870 0.117 0.000 1.134 163 L CA 1.232 56.137 54.840 0.108 0.000 0.807 163 L CB -0.612 41.482 42.059 0.057 0.000 0.927 163 L HN 0.531 nan 8.230 nan 0.000 0.447 164 Q N -0.431 119.407 119.800 0.064 0.000 2.360 164 Q HA 0.123 4.463 4.340 0.000 0.000 0.202 164 Q C 1.295 177.348 176.000 0.089 0.000 0.915 164 Q CA 0.501 56.341 55.803 0.061 0.000 0.943 164 Q CB 0.644 29.399 28.738 0.029 0.000 1.064 164 Q HN 0.537 nan 8.270 nan 0.000 0.511 165 G N 1.746 110.629 108.800 0.137 0.000 2.132 165 G HA2 -0.298 3.662 3.960 0.000 0.000 0.234 165 G HA3 -0.298 3.662 3.960 0.000 0.000 0.234 165 G C 0.464 175.428 174.900 0.107 0.000 0.989 165 G CA 0.005 45.210 45.100 0.175 0.000 0.676 165 G HN 0.307 nan 8.290 nan 0.000 0.522 166 R N -0.001 120.534 120.500 0.059 0.000 2.586 166 R HA 0.476 4.816 4.340 0.000 0.000 0.336 166 R C 0.956 177.264 176.300 0.013 0.000 1.060 166 R CA 0.478 56.601 56.100 0.038 0.000 1.079 166 R CB 0.874 31.196 30.300 0.037 0.000 1.317 166 R HN 0.544 nan 8.270 nan 0.000 0.568 167 G N -0.244 108.546 108.800 -0.017 0.000 2.698 167 G HA2 0.224 4.184 3.960 0.000 0.000 0.293 167 G HA3 0.224 4.184 3.960 0.000 0.000 0.293 167 G C -1.513 173.317 174.900 -0.117 0.000 1.437 167 G CA -0.689 44.373 45.100 -0.065 0.000 0.852 167 G HN -0.115 nan 8.290 nan 0.000 0.499 168 D N -0.323 120.026 120.400 -0.085 0.000 2.368 168 D HA 0.517 5.157 4.640 0.000 0.000 0.240 168 D C -0.384 175.809 176.300 -0.178 0.000 1.169 168 D CA 0.598 54.579 54.000 -0.033 0.000 0.906 168 D CB 0.859 41.665 40.800 0.010 0.000 1.187 168 D HN 0.100 nan 8.370 nan 0.000 0.435 169 F N -0.404 119.571 119.950 0.041 0.000 2.594 169 F HA 0.530 5.057 4.527 0.000 0.000 0.335 169 F C -0.055 175.791 175.800 0.077 0.000 1.058 169 F CA -0.910 57.123 58.000 0.054 0.000 0.981 169 F CB 1.112 40.145 39.000 0.055 0.000 1.289 169 F HN -0.061 nan 8.300 nan 0.000 0.490 170 L N 1.321 122.746 121.223 0.336 0.000 2.362 170 L HA 0.419 4.759 4.340 0.000 0.000 0.271 170 L C -1.055 176.034 176.870 0.364 0.000 1.002 170 L CA -1.088 53.924 54.840 0.287 0.000 0.818 170 L CB 1.877 44.107 42.059 0.286 0.000 1.298 170 L HN 0.590 nan 8.230 nan 0.000 0.420 171 D N 0.781 121.299 120.400 0.198 0.000 2.432 171 D HA 0.143 4.783 4.640 0.000 0.000 0.258 171 D C 0.915 177.097 176.300 -0.198 0.000 1.146 171 D CA -0.731 53.323 54.000 0.090 0.000 1.015 171 D CB 0.811 41.612 40.800 0.002 0.000 1.107 171 D HN 0.378 nan 8.370 nan 0.000 0.529 172 R N -0.595 119.535 120.500 -0.617 0.000 2.170 172 R HA -0.143 4.197 4.340 0.000 0.000 0.242 172 R C 0.613 176.549 176.300 -0.608 0.000 1.145 172 R CA 1.628 56.974 56.100 -1.256 0.000 0.984 172 R CB -0.234 29.439 30.300 -1.045 0.000 0.869 172 R HN 0.442 nan 8.270 nan 0.000 0.455 173 D N -1.510 118.707 120.400 -0.305 0.000 2.340 173 D HA 0.114 4.754 4.640 0.000 0.000 0.220 173 D C 0.872 177.128 176.300 -0.073 0.000 1.039 173 D CA 1.018 54.923 54.000 -0.160 0.000 0.866 173 D CB 0.705 41.439 40.800 -0.110 0.000 0.913 173 D HN 0.509 nan 8.370 nan 0.000 0.523 174 G N 0.894 109.670 108.800 -0.040 0.000 2.175 174 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 174 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 174 G C 0.554 175.477 174.900 0.040 0.000 0.982 174 G CA 0.182 45.304 45.100 0.037 0.000 0.641 174 G HN 0.280 nan 8.290 nan 0.000 0.527 175 T N 3.016 117.583 114.554 0.022 0.000 2.853 175 T HA 0.424 4.774 4.350 0.000 0.000 0.298 175 T C 0.822 175.558 174.700 0.061 0.000 0.978 175 T CA -0.130 61.987 62.100 0.029 0.000 1.152 175 T CB 0.801 69.676 68.868 0.012 0.000 0.914 175 T HN 0.273 nan 8.240 nan 0.000 0.539 176 R N 2.965 123.499 120.500 0.058 0.000 2.490 176 R HA 0.441 4.781 4.340 0.000 0.000 0.280 176 R C -0.366 175.985 176.300 0.084 0.000 1.077 176 R CA -0.259 55.886 56.100 0.075 0.000 1.065 176 R CB 0.495 30.825 30.300 0.052 0.000 1.003 176 R HN 0.571 nan 8.270 nan 0.000 0.470 177 L N 2.365 123.664 121.223 0.126 0.000 2.408 177 L HA 0.261 4.601 4.340 0.000 0.000 0.268 177 L C 0.016 176.984 176.870 0.163 0.000 0.986 177 L CA -1.282 53.636 54.840 0.130 0.000 0.820 177 L CB 2.106 44.251 42.059 0.143 0.000 1.303 177 L HN 0.609 nan 8.230 nan 0.000 0.411 178 D N 1.452 121.926 120.400 0.123 0.000 2.360 178 D HA 0.087 4.727 4.640 0.000 0.000 0.242 178 D C 1.248 177.671 176.300 0.205 0.000 1.184 178 D CA 0.046 54.121 54.000 0.126 0.000 0.930 178 D CB 1.046 41.894 40.800 0.080 0.000 1.161 178 D HN 0.574 nan 8.370 nan 0.000 0.447 179 G N 0.342 109.261 108.800 0.198 0.000 2.599 179 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 179 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 179 G C 1.507 176.547 174.900 0.234 0.000 1.193 179 G CA 2.154 47.425 45.100 0.286 0.000 0.778 179 G HN 0.742 nan 8.290 nan 0.000 0.589 180 A N 0.648 123.543 122.820 0.125 0.000 1.883 180 A HA -0.080 4.241 4.320 0.000 0.000 0.217 180 A C 2.227 179.831 177.584 0.032 0.000 1.186 180 A CA 2.398 54.477 52.037 0.069 0.000 0.624 180 A CB -0.520 18.509 19.000 0.048 0.000 0.822 180 A HN 0.454 nan 8.150 nan 0.000 0.444 181 E N 0.130 120.355 120.200 0.041 0.000 2.110 181 E HA -0.048 4.302 4.350 0.000 0.000 0.193 181 E C 1.951 178.517 176.600 -0.057 0.000 0.988 181 E CA 1.658 58.062 56.400 0.007 0.000 0.804 181 E CB -0.866 28.853 29.700 0.031 0.000 0.745 181 E HN 0.397 nan 8.360 nan 0.000 0.458 182 G N 0.877 109.635 108.800 -0.071 0.000 2.433 182 G HA2 -0.230 3.730 3.960 0.000 0.000 0.216 182 G HA3 -0.230 3.730 3.960 0.000 0.000 0.216 182 G C 1.631 176.179 174.900 -0.587 0.000 1.186 182 G CA 0.990 45.814 45.100 -0.459 0.000 0.779 182 G HN 0.313 nan 8.290 nan 0.000 0.543 183 L N -0.084 120.918 121.223 -0.368 0.000 2.042 183 L HA -0.092 4.249 4.340 0.000 0.000 0.210 183 L C 2.945 179.723 176.870 -0.153 0.000 1.076 183 L CA 1.521 56.223 54.840 -0.229 0.000 0.749 183 L CB -0.457 41.567 42.059 -0.058 0.000 0.893 183 L HN 0.232 nan 8.230 nan 0.000 0.432 184 R N 0.600 121.036 120.500 -0.107 0.000 2.070 184 R HA -0.210 4.130 4.340 0.000 0.000 0.232 184 R C 2.530 178.782 176.300 -0.080 0.000 1.138 184 R CA 1.805 57.864 56.100 -0.069 0.000 0.936 184 R CB -0.248 30.027 30.300 -0.042 0.000 0.839 184 R HN 0.174 nan 8.270 nan 0.000 0.429 185 R N -0.542 119.900 120.500 -0.096 0.000 2.105 185 R HA -0.093 4.247 4.340 0.000 0.000 0.239 185 R C 1.765 178.012 176.300 -0.088 0.000 1.135 185 R CA 1.823 57.875 56.100 -0.080 0.000 0.967 185 R CB -0.444 29.812 30.300 -0.073 0.000 0.861 185 R HN 0.431 nan 8.270 nan 0.000 0.442 186 G N -0.485 108.229 108.800 -0.143 0.000 3.141 186 G HA2 -0.057 3.903 3.960 0.000 0.000 0.218 186 G HA3 -0.057 3.903 3.960 0.000 0.000 0.218 186 G C -0.008 174.839 174.900 -0.090 0.000 1.170 186 G CA -0.147 44.883 45.100 -0.117 0.000 0.769 186 G HN 0.392 nan 8.290 nan 0.000 0.546 187 R N -0.727 119.724 120.500 -0.083 0.000 3.127 187 R HA -0.155 4.185 4.340 0.000 0.000 0.247 187 R C -0.897 175.370 176.300 -0.055 0.000 0.896 187 R CA 0.185 56.251 56.100 -0.056 0.000 0.624 187 R CB -1.821 28.457 30.300 -0.036 0.000 1.154 187 R HN 0.341 nan 8.270 nan 0.000 0.474 188 L N 1.439 122.618 121.223 -0.074 0.000 2.319 188 L HA 0.532 4.872 4.340 0.000 0.000 0.267 188 L C 0.260 177.115 176.870 -0.026 0.000 1.011 188 L CA -1.288 53.520 54.840 -0.053 0.000 0.818 188 L CB 1.855 43.864 42.059 -0.082 0.000 1.316 188 L HN 0.181 nan 8.230 nan 0.000 0.432 189 Q N 1.979 121.778 119.800 -0.002 0.000 2.235 189 Q HA 0.424 4.764 4.340 0.000 0.000 0.256 189 Q C -2.396 173.623 176.000 0.032 0.000 0.951 189 Q CA -1.962 53.848 55.803 0.011 0.000 0.890 189 Q CB 1.723 30.468 28.738 0.012 0.000 1.279 189 Q HN 0.293 nan 8.270 nan 0.000 0.444 190 P HA 0.028 nan 4.420 nan 0.000 0.271 190 P C -0.251 177.077 177.300 0.046 0.000 1.220 190 P CA -0.552 62.580 63.100 0.054 0.000 0.768 190 P CB 0.601 32.329 31.700 0.047 0.000 0.848 191 L N 3.372 124.627 121.223 0.052 0.000 2.513 191 L HA 0.128 4.468 4.340 0.000 0.000 0.272 191 L C -0.080 176.809 176.870 0.032 0.000 1.187 191 L CA 0.728 55.592 54.840 0.039 0.000 0.895 191 L CB -0.658 41.421 42.059 0.033 0.000 1.147 191 L HN 0.310 nan 8.230 nan 0.000 0.483 192 D N 4.638 125.060 120.400 0.038 0.000 2.425 192 D HA 0.244 4.884 4.640 0.000 0.000 0.240 192 D C -0.066 176.267 176.300 0.054 0.000 1.080 192 D CA -0.219 53.803 54.000 0.037 0.000 0.836 192 D CB 0.795 41.619 40.800 0.040 0.000 1.125 192 D HN 0.624 nan 8.370 nan 0.000 0.525 193 L N 3.180 124.421 121.223 0.030 0.000 2.783 193 L HA 0.110 4.450 4.340 0.000 0.000 0.236 193 L C 1.855 178.739 176.870 0.025 0.000 1.225 193 L CA -0.123 54.739 54.840 0.038 0.000 1.026 193 L CB -0.212 41.852 42.059 0.009 0.000 1.314 193 L HN 0.413 nan 8.230 nan 0.000 0.489 194 S N -2.183 113.510 115.700 -0.012 0.000 2.469 194 S HA -0.209 4.261 4.470 0.000 0.000 0.238 194 S C 1.401 175.908 174.600 -0.155 0.000 0.998 194 S CA 0.909 59.049 58.200 -0.100 0.000 0.957 194 S CB -0.480 62.620 63.200 -0.167 0.000 0.764 194 S HN 0.549 nan 8.310 nan 0.000 0.514 195 H N 1.525 120.588 119.070 -0.012 0.000 2.547 195 H HA 0.356 4.912 4.556 0.000 0.000 0.266 195 H C 0.543 175.861 175.328 -0.016 0.000 0.988 195 H CA 0.267 56.304 56.048 -0.018 0.000 1.147 195 H CB -0.092 29.655 29.762 -0.025 0.000 1.365 195 H HN 0.331 nan 8.280 nan 0.000 0.589 196 R N 0.959 121.502 120.500 0.071 0.000 3.651 196 R HA -0.139 4.201 4.340 0.000 0.000 0.292 196 R C -0.696 175.648 176.300 0.073 0.000 1.161 196 R CA 0.864 56.998 56.100 0.057 0.000 0.787 196 R CB -1.754 28.572 30.300 0.042 0.000 1.249 196 R HN 0.556 nan 8.270 nan 0.000 0.476 197 D N -0.945 119.502 120.400 0.079 0.000 2.491 197 D HA 0.225 4.865 4.640 0.000 0.000 0.228 197 D C 1.208 177.543 176.300 0.059 0.000 1.183 197 D CA 0.338 54.379 54.000 0.068 0.000 0.827 197 D CB 0.342 41.169 40.800 0.044 0.000 0.989 197 D HN 0.290 nan 8.370 nan 0.000 0.494 198 A N 0.373 123.223 122.820 0.051 0.000 1.972 198 A HA -0.097 4.223 4.320 0.000 0.000 0.219 198 A C 1.918 179.515 177.584 0.021 0.000 1.169 198 A CA 0.734 52.781 52.037 0.017 0.000 0.635 198 A CB -0.478 18.516 19.000 -0.009 0.000 0.810 198 A HN 0.280 nan 8.150 nan 0.000 0.446 199 L N -0.634 120.632 121.223 0.072 0.000 2.456 199 L HA -0.030 4.310 4.340 0.000 0.000 0.224 199 L C 2.628 179.549 176.870 0.086 0.000 1.148 199 L CA 1.272 56.166 54.840 0.091 0.000 0.825 199 L CB -0.539 41.625 42.059 0.174 0.000 0.937 199 L HN 0.394 nan 8.230 nan 0.000 0.450 200 A N -1.337 121.531 122.820 0.081 0.000 2.072 200 A HA 0.059 4.379 4.320 0.000 0.000 0.216 200 A C 2.119 179.721 177.584 0.031 0.000 1.156 200 A CA 0.874 52.953 52.037 0.070 0.000 0.701 200 A CB -0.225 18.814 19.000 0.066 0.000 0.816 200 A HN 0.386 nan 8.150 nan 0.000 0.458 201 L N -1.035 120.195 121.223 0.011 0.000 2.425 201 L HA 0.125 4.465 4.340 0.000 0.000 0.215 201 L C 0.022 176.874 176.870 -0.030 0.000 1.065 201 L CA 0.260 55.092 54.840 -0.012 0.000 0.842 201 L CB 0.377 42.423 42.059 -0.022 0.000 1.033 201 L HN 0.053 nan 8.230 nan 0.000 0.474 202 V N 1.850 121.740 119.914 -0.041 0.000 2.217 202 V HA 0.385 4.505 4.120 0.000 0.000 0.264 202 V C -0.506 175.562 176.094 -0.043 0.000 1.107 202 V CA -0.243 62.014 62.300 -0.072 0.000 0.913 202 V CB -0.094 31.647 31.823 -0.137 0.000 1.153 202 V HN 0.318 nan 8.190 nan 0.000 0.469 203 N N 1.819 120.508 118.700 -0.019 0.000 3.348 203 N HA 0.520 5.261 4.740 0.000 0.000 0.233 203 N C -0.033 175.496 175.510 0.032 0.000 1.440 203 N CA 0.600 53.657 53.050 0.013 0.000 0.887 203 N CB 2.273 40.787 38.487 0.046 0.000 1.410 203 N HN 0.747 nan 8.380 nan 0.000 0.502 204 G N -0.004 108.846 108.800 0.084 0.000 2.697 204 G HA2 -0.247 3.713 3.960 0.000 0.000 0.240 204 G HA3 -0.247 3.713 3.960 0.000 0.000 0.240 204 G C 0.233 175.177 174.900 0.074 0.000 1.346 204 G CA 0.486 45.644 45.100 0.096 0.000 0.887 204 G HN 1.188 nan 8.290 nan 0.000 0.569 205 T N -2.977 111.609 114.554 0.052 0.000 3.258 205 T HA 0.558 4.908 4.350 0.000 0.000 0.263 205 T C 1.829 176.536 174.700 0.011 0.000 0.983 205 T CA 0.938 63.060 62.100 0.037 0.000 0.907 205 T CB 0.368 69.256 68.868 0.033 0.000 1.096 205 T HN 0.838 nan 8.240 nan 0.000 0.556 206 S N 1.667 117.369 115.700 0.004 0.000 2.370 206 S HA -0.082 4.388 4.470 0.000 0.000 0.226 206 S C 2.454 177.047 174.600 -0.012 0.000 1.033 206 S CA 1.291 59.484 58.200 -0.011 0.000 1.011 206 S CB -0.576 62.615 63.200 -0.016 0.000 0.852 206 S HN 0.838 nan 8.310 nan 0.000 0.457 207 A N 2.631 125.448 122.820 -0.004 0.000 1.854 207 A HA -0.053 4.267 4.320 0.000 0.000 0.214 207 A C 2.279 179.867 177.584 0.007 0.000 1.192 207 A CA 1.663 53.698 52.037 -0.002 0.000 0.611 207 A CB -0.786 18.215 19.000 0.001 0.000 0.832 207 A HN 0.650 nan 8.150 nan 0.000 0.442 208 M N -1.432 118.177 119.600 0.014 0.000 2.213 208 M HA -0.089 4.392 4.480 0.000 0.000 0.263 208 M C 1.786 178.094 176.300 0.015 0.000 1.062 208 M CA 2.280 57.593 55.300 0.021 0.000 1.105 208 M CB -1.323 31.293 32.600 0.026 0.000 1.385 208 M HN 0.160 nan 8.290 nan 0.000 0.417 209 T N 1.124 115.678 114.554 -0.001 0.000 2.777 209 T HA 0.010 4.360 4.350 0.000 0.000 0.266 209 T C 1.980 176.677 174.700 -0.005 0.000 1.040 209 T CA 1.633 63.724 62.100 -0.016 0.000 1.141 209 T CB -0.700 68.149 68.868 -0.031 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.202 109.998 108.800 -0.005 0.000 2.402 210 G HA2 -0.092 3.868 3.960 0.000 0.000 0.216 210 G HA3 -0.092 3.868 3.960 0.000 0.000 0.216 210 G C 1.526 176.441 174.900 0.025 0.000 1.162 210 G CA 0.353 45.450 45.100 -0.005 0.000 0.777 210 G HN 0.479 nan 8.290 nan 0.000 0.539 211 I N 1.372 121.961 120.570 0.032 0.000 2.226 211 I HA -0.165 4.005 4.170 0.000 0.000 0.245 211 I C 3.257 179.426 176.117 0.087 0.000 1.100 211 I CA 1.028 62.361 61.300 0.056 0.000 1.374 211 I CB -0.190 37.840 38.000 0.050 0.000 1.057 211 I HN 0.236 nan 8.210 nan 0.000 0.413 212 A N 1.237 124.111 122.820 0.089 0.000 1.969 212 A HA -0.152 4.168 4.320 0.000 0.000 0.218 212 A C 2.228 179.917 177.584 0.175 0.000 1.169 212 A CA 1.631 53.758 52.037 0.151 0.000 0.635 212 A CB -0.724 18.341 19.000 0.107 0.000 0.810 212 A HN 0.513 nan 8.150 nan 0.000 0.445 213 L N -2.250 119.039 121.223 0.111 0.000 2.217 213 L HA 0.060 4.400 4.340 0.000 0.000 0.211 213 L C 1.913 178.893 176.870 0.182 0.000 1.107 213 L CA 1.422 56.336 54.840 0.123 0.000 0.783 213 L CB -1.001 41.098 42.059 0.066 0.000 0.919 213 L HN -0.012 nan 8.230 nan 0.000 0.442 214 V N 0.797 120.818 119.914 0.178 0.000 2.453 214 V HA -0.148 3.972 4.120 0.000 0.000 0.247 214 V C 2.448 178.666 176.094 0.206 0.000 1.048 214 V CA 1.605 64.051 62.300 0.243 0.000 1.049 214 V CB -0.901 31.032 31.823 0.183 0.000 0.672 214 V HN 0.498 nan 8.190 nan 0.000 0.457 215 N N 0.899 119.694 118.700 0.158 0.000 2.120 215 N HA -0.130 4.610 4.740 0.000 0.000 0.188 215 N C 1.920 177.483 175.510 0.089 0.000 1.024 215 N CA 1.721 54.841 53.050 0.117 0.000 0.852 215 N CB -0.543 37.997 38.487 0.089 0.000 1.003 215 N HN 0.472 nan 8.380 nan 0.000 0.424 216 A N 0.245 123.141 122.820 0.128 0.000 1.908 216 A HA -0.214 4.106 4.320 0.000 0.000 0.218 216 A C 2.117 179.721 177.584 0.033 0.000 1.181 216 A CA 1.908 54.001 52.037 0.094 0.000 0.627 216 A CB -0.947 18.170 19.000 0.194 0.000 0.818 216 A HN 0.475 nan 8.150 nan 0.000 0.445 217 H N -0.251 118.787 119.070 -0.053 0.000 2.326 217 H HA 0.075 4.631 4.556 0.000 0.000 0.301 217 H C 2.201 177.436 175.328 -0.155 0.000 1.081 217 H CA 1.884 57.807 56.048 -0.207 0.000 1.334 217 H CB -0.236 29.249 29.762 -0.462 0.000 1.385 217 H HN 0.392 nan 8.280 nan 0.000 0.504 218 A N -0.273 122.563 122.820 0.027 0.000 1.902 218 A HA -0.188 4.132 4.320 0.000 0.000 0.217 218 A C 2.695 180.267 177.584 -0.021 0.000 1.181 218 A CA 1.508 53.572 52.037 0.044 0.000 0.623 218 A CB -1.240 17.826 19.000 0.109 0.000 0.818 218 A HN 0.653 nan 8.150 nan 0.000 0.443 219 C N -1.262 118.045 119.300 0.011 0.000 2.422 219 C HA -0.039 4.421 4.460 0.000 0.000 0.279 219 C C 2.782 177.752 174.990 -0.032 0.000 1.305 219 C CA 1.144 60.213 59.018 0.085 0.000 1.757 219 C CB -1.372 26.450 27.740 0.137 0.000 1.962 219 C HN 0.729 nan 8.230 nan 0.000 0.499 220 R N -0.123 120.258 120.500 -0.198 0.000 2.075 220 R HA -0.124 4.216 4.340 0.000 0.000 0.232 220 R C 2.244 178.343 176.300 -0.334 0.000 1.126 220 R CA 1.502 57.404 56.100 -0.329 0.000 0.963 220 R CB -0.411 29.598 30.300 -0.485 0.000 0.858 220 R HN 0.594 nan 8.270 nan 0.000 0.435 221 H N 0.582 119.511 119.070 -0.235 0.000 2.326 221 H HA -0.081 4.475 4.556 0.000 0.000 0.301 221 H C 2.179 177.484 175.328 -0.039 0.000 1.081 221 H CA 1.613 57.573 56.048 -0.146 0.000 1.334 221 H CB -0.194 29.486 29.762 -0.137 0.000 1.385 221 H HN 0.239 nan 8.280 nan 0.000 0.504 222 L N -0.226 120.954 121.223 -0.071 0.000 2.083 222 L HA -0.087 4.253 4.340 0.000 0.000 0.209 222 L C 2.744 179.428 176.870 -0.311 0.000 1.083 222 L CA 1.074 55.673 54.840 -0.401 0.000 0.752 222 L CB -0.786 40.642 42.059 -1.051 0.000 0.899 222 L HN 0.302 nan 8.230 nan 0.000 0.433 223 G N -0.106 108.647 108.800 -0.077 0.000 2.422 223 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 223 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 223 G C 1.402 176.365 174.900 0.105 0.000 1.146 223 G CA 0.522 45.748 45.100 0.211 0.000 0.769 223 G HN 0.314 nan 8.290 nan 0.000 0.547 224 N N 0.067 118.730 118.700 -0.061 0.000 2.188 224 N HA -0.084 4.656 4.740 0.000 0.000 0.184 224 N C 1.845 177.248 175.510 -0.178 0.000 1.018 224 N CA 0.838 53.797 53.050 -0.150 0.000 0.858 224 N CB -0.318 38.023 38.487 -0.244 0.000 0.989 224 N HN 0.576 nan 8.380 nan 0.000 0.426 225 W N 1.627 122.873 121.300 -0.089 0.000 2.388 225 W HA 0.066 4.726 4.660 0.000 0.000 0.294 225 W C 2.500 178.990 176.519 -0.048 0.000 1.212 225 W CA 1.097 58.387 57.345 -0.092 0.000 1.271 225 W CB -0.409 28.950 29.460 -0.168 0.000 1.126 225 W HN 0.028 nan 8.180 nan 0.000 0.535 226 A N -0.097 122.837 122.820 0.190 0.000 1.908 226 A HA -0.188 4.132 4.320 0.000 0.000 0.218 226 A C 1.996 179.665 177.584 0.142 0.000 1.181 226 A CA 2.233 54.402 52.037 0.219 0.000 0.627 226 A CB -1.125 18.102 19.000 0.379 0.000 0.818 226 A HN 0.092 nan 8.150 nan 0.000 0.445 227 V N -0.278 119.703 119.914 0.111 0.000 2.270 227 V HA -0.214 3.906 4.120 0.000 0.000 0.245 227 V C 3.077 179.150 176.094 -0.034 0.000 1.043 227 V CA 1.936 64.245 62.300 0.015 0.000 1.014 227 V CB -1.279 30.558 31.823 0.023 0.000 0.645 227 V HN 0.614 nan 8.190 nan 0.000 0.447 228 A N -0.279 122.508 122.820 -0.055 0.000 1.940 228 A HA -0.157 4.163 4.320 0.000 0.000 0.219 228 A C 2.191 179.787 177.584 0.021 0.000 1.176 228 A CA 1.835 53.828 52.037 -0.073 0.000 0.631 228 A CB -0.532 18.335 19.000 -0.221 0.000 0.814 228 A HN 0.523 nan 8.150 nan 0.000 0.446 229 L N -1.239 120.037 121.223 0.089 0.000 2.179 229 L HA -0.089 4.251 4.340 0.000 0.000 0.208 229 L C 2.661 179.593 176.870 0.103 0.000 1.096 229 L CA 1.445 56.357 54.840 0.121 0.000 0.779 229 L CB -0.830 41.326 42.059 0.161 0.000 0.922 229 L HN 0.305 nan 8.230 nan 0.000 0.443 230 T N 0.173 114.779 114.554 0.087 0.000 2.777 230 T HA -0.131 4.220 4.350 0.000 0.000 0.266 230 T C 2.056 176.862 174.700 0.177 0.000 1.040 230 T CA 1.348 63.512 62.100 0.106 0.000 1.141 230 T CB -0.106 68.775 68.868 0.022 0.000 0.868 230 T HN 0.428 nan 8.240 nan 0.000 0.444 231 A N 1.276 124.162 122.820 0.110 0.000 1.877 231 A HA -0.008 4.312 4.320 0.000 0.000 0.216 231 A C 2.206 179.906 177.584 0.194 0.000 1.186 231 A CA 1.220 53.384 52.037 0.212 0.000 0.620 231 A CB -0.818 18.237 19.000 0.091 0.000 0.822 231 A HN 0.402 nan 8.150 nan 0.000 0.443 232 L N -0.727 120.566 121.223 0.118 0.000 2.131 232 L HA -0.084 4.256 4.340 0.000 0.000 0.210 232 L C 2.199 179.123 176.870 0.090 0.000 1.092 232 L CA 1.795 56.689 54.840 0.091 0.000 0.759 232 L CB -0.657 41.446 42.059 0.072 0.000 0.903 232 L HN 0.383 nan 8.230 nan 0.000 0.435 233 L N -0.230 121.058 121.223 0.108 0.000 2.046 233 L HA -0.102 4.239 4.340 0.000 0.000 0.208 233 L C 2.485 179.411 176.870 0.093 0.000 1.077 233 L CA 2.022 56.917 54.840 0.092 0.000 0.747 233 L CB -0.966 41.158 42.059 0.108 0.000 0.896 233 L HN 0.257 nan 8.230 nan 0.000 0.432 234 A N -0.726 122.182 122.820 0.147 0.000 1.902 234 A HA -0.217 4.103 4.320 0.000 0.000 0.217 234 A C 2.127 179.731 177.584 0.033 0.000 1.181 234 A CA 1.810 53.897 52.037 0.082 0.000 0.623 234 A CB -0.634 18.431 19.000 0.108 0.000 0.818 234 A HN 0.636 nan 8.150 nan 0.000 0.443 235 E N -1.084 119.151 120.200 0.058 0.000 2.268 235 E HA -0.130 4.220 4.350 0.000 0.000 0.195 235 E C 1.635 178.247 176.600 0.021 0.000 0.995 235 E CA 0.953 57.373 56.400 0.033 0.000 0.836 235 E CB -0.268 29.458 29.700 0.044 0.000 0.763 235 E HN 0.684 nan 8.360 nan 0.000 0.491 236 C N -0.030 119.284 119.300 0.024 0.000 2.634 236 C HA 0.165 4.625 4.460 0.000 0.000 0.268 236 C C 1.704 176.697 174.990 0.004 0.000 1.322 236 C CA -0.020 59.006 59.018 0.012 0.000 1.737 236 C CB -0.161 27.585 27.740 0.011 0.000 1.976 236 C HN 0.318 nan 8.230 nan 0.000 0.547 237 L N -0.034 121.192 121.223 0.005 0.000 3.168 237 L HA 0.284 4.624 4.340 0.000 0.000 0.277 237 L C 0.381 177.241 176.870 -0.016 0.000 1.245 237 L CA -0.073 54.765 54.840 -0.004 0.000 1.035 237 L CB -0.287 41.773 42.059 0.002 0.000 1.399 237 L HN 0.235 nan 8.230 nan 0.000 0.580 238 R N 0.495 120.984 120.500 -0.019 0.000 3.416 238 R HA -0.160 4.180 4.340 0.000 0.000 0.263 238 R C 0.756 177.020 176.300 -0.060 0.000 1.053 238 R CA 0.435 56.517 56.100 -0.031 0.000 0.705 238 R CB -1.928 28.362 30.300 -0.018 0.000 1.124 238 R HN 0.518 nan 8.270 nan 0.000 0.444 239 G N 0.622 109.371 108.800 -0.084 0.000 2.554 239 G HA2 0.149 4.109 3.960 0.000 0.000 0.238 239 G HA3 0.149 4.109 3.960 0.000 0.000 0.238 239 G C 0.003 174.755 174.900 -0.246 0.000 1.259 239 G CA -0.517 44.487 45.100 -0.160 0.000 0.843 239 G HN 0.235 nan 8.290 nan 0.000 0.582 240 R N 0.506 120.828 120.500 -0.297 0.000 2.202 240 R HA 0.231 4.572 4.340 0.000 0.000 0.334 240 R C 1.563 177.548 176.300 -0.525 0.000 1.036 240 R CA 0.203 56.121 56.100 -0.304 0.000 0.878 240 R CB 0.895 31.081 30.300 -0.191 0.000 1.067 240 R HN 0.710 nan 8.270 nan 0.000 0.457 241 T N -1.180 113.114 114.554 -0.433 0.000 3.055 241 T HA -0.131 4.219 4.350 0.000 0.000 0.265 241 T C 1.422 175.978 174.700 -0.240 0.000 1.111 241 T CA 0.876 62.713 62.100 -0.439 0.000 1.118 241 T CB -0.023 68.734 68.868 -0.186 0.000 0.909 241 T HN 0.738 nan 8.240 nan 0.000 0.501 242 E N 1.796 121.889 120.200 -0.178 0.000 2.204 242 E HA -0.023 4.327 4.350 0.000 0.000 0.195 242 E C 2.229 178.798 176.600 -0.051 0.000 0.990 242 E CA 0.908 57.262 56.400 -0.077 0.000 0.821 242 E CB -0.562 29.106 29.700 -0.052 0.000 0.750 242 E HN 0.606 nan 8.360 nan 0.000 0.477 243 A N 0.832 123.571 122.820 -0.134 0.000 2.067 243 A HA -0.090 4.230 4.320 0.000 0.000 0.219 243 A C 1.031 178.740 177.584 0.209 0.000 1.158 243 A CA 0.717 52.737 52.037 -0.028 0.000 0.661 243 A CB -0.618 18.318 19.000 -0.105 0.000 0.801 243 A HN 0.499 nan 8.150 nan 0.000 0.452 244 W N -0.213 121.084 121.300 -0.005 0.000 3.330 244 W HA 0.602 5.262 4.660 0.000 0.000 0.348 244 W C 0.817 177.335 176.519 -0.001 0.000 1.205 244 W CA -1.082 56.262 57.345 -0.003 0.000 1.841 244 W CB -1.369 28.091 29.460 0.001 0.000 1.084 244 W HN 0.348 nan 8.180 nan 0.000 0.665 245 A N 0.841 123.770 122.820 0.182 0.000 2.498 245 A HA 0.429 4.750 4.320 0.000 0.000 0.239 245 A C 1.685 179.321 177.584 0.087 0.000 1.068 245 A CA 0.685 52.786 52.037 0.106 0.000 0.766 245 A CB 0.580 19.616 19.000 0.060 0.000 1.003 245 A HN 0.256 nan 8.150 nan 0.000 0.497 246 A N 2.485 125.344 122.820 0.066 0.000 1.972 246 A HA 0.112 4.432 4.320 0.000 0.000 0.219 246 A C 2.359 179.965 177.584 0.036 0.000 1.169 246 A CA 2.257 54.323 52.037 0.047 0.000 0.635 246 A CB -0.948 18.074 19.000 0.036 0.000 0.810 246 A HN 1.754 nan 8.150 nan 0.000 0.446 247 A N -0.213 122.626 122.820 0.032 0.000 1.940 247 A HA -0.102 4.218 4.320 0.000 0.000 0.219 247 A C 2.146 179.743 177.584 0.021 0.000 1.176 247 A CA 1.579 53.629 52.037 0.022 0.000 0.631 247 A CB -0.558 18.453 19.000 0.019 0.000 0.814 247 A HN 0.498 nan 8.150 nan 0.000 0.446 248 L N -0.712 120.529 121.223 0.031 0.000 2.093 248 L HA -0.139 4.201 4.340 0.000 0.000 0.208 248 L C 2.858 179.743 176.870 0.025 0.000 1.085 248 L CA 1.313 56.170 54.840 0.029 0.000 0.755 248 L CB -0.414 41.672 42.059 0.045 0.000 0.904 248 L HN 0.337 nan 8.230 nan 0.000 0.435 249 S N -0.184 115.536 115.700 0.032 0.000 2.359 249 S HA -0.195 4.275 4.470 0.000 0.000 0.224 249 S C 1.513 176.118 174.600 0.008 0.000 1.035 249 S CA 1.486 59.702 58.200 0.026 0.000 1.018 249 S CB -0.304 62.915 63.200 0.032 0.000 0.876 249 S HN 0.452 nan 8.310 nan 0.000 0.448 250 D N 1.376 121.780 120.400 0.006 0.000 2.178 250 D HA -0.040 4.600 4.640 0.000 0.000 0.201 250 D C 1.749 178.038 176.300 -0.018 0.000 0.980 250 D CA 0.696 54.692 54.000 -0.006 0.000 0.842 250 D CB -0.305 40.495 40.800 -0.001 0.000 0.948 250 D HN 0.332 nan 8.370 nan 0.000 0.472 251 L N -0.557 120.658 121.223 -0.013 0.000 2.291 251 L HA 0.003 4.343 4.340 0.000 0.000 0.214 251 L C 1.572 178.419 176.870 -0.038 0.000 1.120 251 L CA 0.560 55.388 54.840 -0.020 0.000 0.799 251 L CB 0.140 42.194 42.059 -0.009 0.000 0.925 251 L HN -0.162 nan 8.230 nan 0.000 0.446 252 R N 0.668 121.143 120.500 -0.042 0.000 2.644 252 R HA 0.188 4.528 4.340 0.000 0.000 0.271 252 R C -2.156 174.075 176.300 -0.115 0.000 1.687 252 R CA -1.356 54.694 56.100 -0.083 0.000 1.655 252 R CB 0.876 31.168 30.300 -0.014 0.000 1.285 252 R HN -0.139 nan 8.270 nan 0.000 0.643 253 P HA -0.105 nan 4.420 nan 0.000 0.310 253 P C -0.621 176.612 177.300 -0.112 0.000 1.512 253 P CA 0.306 63.341 63.100 -0.109 0.000 0.753 253 P CB -0.355 31.292 31.700 -0.089 0.000 1.608 254 H N 0.772 119.843 119.070 0.001 0.000 2.899 254 H HA 0.070 4.626 4.556 0.000 0.000 0.303 254 H C -1.259 174.081 175.328 0.020 0.000 1.042 254 H CA -1.396 54.655 56.048 0.005 0.000 1.479 254 H CB 0.363 30.123 29.762 -0.004 0.000 1.493 254 H HN 0.086 nan 8.280 nan 0.000 0.534 255 P HA -0.181 nan 4.420 nan 0.000 0.215 255 P C 1.668 179.042 177.300 0.124 0.000 1.163 255 P CA 1.828 64.991 63.100 0.105 0.000 0.894 255 P CB 0.072 31.829 31.700 0.094 0.000 0.791 256 G N -0.523 108.369 108.800 0.152 0.000 2.442 256 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 256 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 256 G C 1.680 176.674 174.900 0.157 0.000 1.141 256 G CA 0.772 45.994 45.100 0.203 0.000 0.763 256 G HN 0.337 nan 8.290 nan 0.000 0.554 257 Q N 0.087 119.943 119.800 0.092 0.000 2.083 257 Q HA -0.057 4.283 4.340 0.000 0.000 0.198 257 Q C 2.463 178.491 176.000 0.046 0.000 0.969 257 Q CA 1.464 57.290 55.803 0.038 0.000 0.838 257 Q CB -0.188 28.588 28.738 0.063 0.000 0.900 257 Q HN 0.517 nan 8.270 nan 0.000 0.436 258 K N 0.191 120.631 120.400 0.067 0.000 2.057 258 K HA -0.224 4.096 4.320 0.000 0.000 0.207 258 K C 1.672 178.300 176.600 0.048 0.000 1.049 258 K CA 1.841 58.157 56.287 0.049 0.000 0.931 258 K CB -0.151 32.376 32.500 0.045 0.000 0.714 258 K HN 0.185 nan 8.250 nan 0.000 0.440 259 D N -0.013 120.433 120.400 0.077 0.000 2.097 259 D HA -0.121 4.519 4.640 0.000 0.000 0.195 259 D C 1.725 178.082 176.300 0.095 0.000 0.989 259 D CA 1.658 55.707 54.000 0.081 0.000 0.827 259 D CB -0.114 40.751 40.800 0.108 0.000 0.966 259 D HN 0.315 nan 8.370 nan 0.000 0.456 260 A N 0.515 123.427 122.820 0.153 0.000 1.908 260 A HA -0.023 4.297 4.320 0.000 0.000 0.218 260 A C 2.388 179.920 177.584 -0.087 0.000 1.181 260 A CA 2.503 54.597 52.037 0.095 0.000 0.627 260 A CB -1.152 17.811 19.000 -0.061 0.000 0.818 260 A HN 0.339 nan 8.150 nan 0.000 0.445 261 A N -0.288 122.480 122.820 -0.088 0.000 1.902 261 A HA 0.185 4.505 4.320 0.000 0.000 0.217 261 A C 2.508 180.056 177.584 -0.060 0.000 1.181 261 A CA 2.052 54.018 52.037 -0.118 0.000 0.623 261 A CB -1.000 17.992 19.000 -0.013 0.000 0.818 261 A HN 1.068 nan 8.150 nan 0.000 0.443 262 A N -0.138 122.673 122.820 -0.016 0.000 1.902 262 A HA -0.160 4.160 4.320 0.000 0.000 0.217 262 A C 2.236 179.808 177.584 -0.020 0.000 1.181 262 A CA 1.615 53.652 52.037 0.000 0.000 0.623 262 A CB -0.429 18.575 19.000 0.007 0.000 0.818 262 A HN 0.544 nan 8.150 nan 0.000 0.443 263 R N -0.643 119.834 120.500 -0.039 0.000 2.092 263 R HA 0.047 4.387 4.340 0.000 0.000 0.231 263 R C 2.024 178.268 176.300 -0.094 0.000 1.119 263 R CA 1.199 57.266 56.100 -0.054 0.000 0.970 263 R CB -0.430 29.846 30.300 -0.039 0.000 0.864 263 R HN 0.496 nan 8.270 nan 0.000 0.440 264 L N 0.185 121.296 121.223 -0.187 0.000 2.027 264 L HA -0.164 4.176 4.340 0.000 0.000 0.206 264 L C 2.555 179.395 176.870 -0.050 0.000 1.074 264 L CA 1.423 56.060 54.840 -0.338 0.000 0.745 264 L CB -0.328 41.149 42.059 -0.969 0.000 0.898 264 L HN 0.148 nan 8.230 nan 0.000 0.433 265 R N -0.153 120.377 120.500 0.051 0.000 2.083 265 R HA -0.171 4.169 4.340 0.000 0.000 0.237 265 R C 2.397 178.750 176.300 0.088 0.000 1.137 265 R CA 1.428 57.621 56.100 0.155 0.000 0.951 265 R CB -0.582 29.793 30.300 0.124 0.000 0.851 265 R HN 0.367 nan 8.270 nan 0.000 0.434 266 A N 1.375 124.215 122.820 0.034 0.000 1.902 266 A HA -0.164 4.156 4.320 0.000 0.000 0.217 266 A C 2.069 179.662 177.584 0.015 0.000 1.181 266 A CA 1.171 53.217 52.037 0.015 0.000 0.623 266 A CB -0.308 18.686 19.000 -0.009 0.000 0.818 266 A HN 0.117 nan 8.150 nan 0.000 0.443 267 R N -0.235 120.269 120.500 0.007 0.000 2.091 267 R HA -0.124 4.216 4.340 0.000 0.000 0.238 267 R C 1.926 178.255 176.300 0.047 0.000 1.136 267 R CA 1.776 57.881 56.100 0.008 0.000 0.959 267 R CB -1.393 28.901 30.300 -0.010 0.000 0.856 267 R HN 0.689 nan 8.270 nan 0.000 0.437 268 V N -0.747 119.226 119.914 0.098 0.000 3.633 268 V HA 0.111 4.231 4.120 0.000 0.000 0.283 268 V C 0.187 176.320 176.094 0.066 0.000 1.305 268 V CA -0.593 61.770 62.300 0.105 0.000 1.153 268 V CB -0.571 31.358 31.823 0.177 0.000 0.950 268 V HN -0.079 nan 8.190 nan 0.000 0.432 269 D N 1.388 121.818 120.400 0.051 0.000 2.493 269 D HA 0.409 5.049 4.640 0.000 0.000 0.240 269 D C 1.480 177.792 176.300 0.020 0.000 1.142 269 D CA 1.945 55.964 54.000 0.031 0.000 0.872 269 D CB 0.615 41.429 40.800 0.023 0.000 1.173 269 D HN 0.557 nan 8.370 nan 0.000 0.467 270 G N 2.348 111.155 108.800 0.012 0.000 2.199 270 G HA2 -0.278 3.682 3.960 0.000 0.000 0.254 270 G HA3 -0.278 3.682 3.960 0.000 0.000 0.254 270 G C 0.497 175.401 174.900 0.006 0.000 0.982 270 G CA 0.408 45.512 45.100 0.007 0.000 0.632 270 G HN 0.799 nan 8.290 nan 0.000 0.529 271 S N 0.134 115.840 115.700 0.010 0.000 2.564 271 S HA 0.647 5.117 4.470 0.000 0.000 0.278 271 S C 1.242 175.838 174.600 -0.006 0.000 1.333 271 S CA 0.817 59.022 58.200 0.008 0.000 1.048 271 S CB 1.301 64.512 63.200 0.018 0.000 0.900 271 S HN 1.631 nan 8.310 nan 0.000 0.505 272 A N 4.994 127.811 122.820 -0.005 0.000 2.470 272 A HA 0.343 4.663 4.320 0.000 0.000 0.251 272 A C 1.696 179.273 177.584 -0.012 0.000 1.245 272 A CA -0.375 51.654 52.037 -0.012 0.000 0.932 272 A CB 0.099 19.096 19.000 -0.004 0.000 1.037 272 A HN 0.718 nan 8.150 nan 0.000 0.522 273 R N -0.121 120.374 120.500 -0.009 0.000 2.265 273 R HA 0.107 4.447 4.340 0.000 0.000 0.194 273 R C 0.815 177.102 176.300 -0.021 0.000 0.931 273 R CA 0.950 57.046 56.100 -0.008 0.000 1.032 273 R CB -0.408 29.894 30.300 0.003 0.000 0.980 273 R HN 0.498 nan 8.270 nan 0.000 0.497 274 V N -1.276 118.615 119.914 -0.037 0.000 2.997 274 V HA 0.440 4.560 4.120 0.000 0.000 0.311 274 V C 0.502 176.541 176.094 -0.092 0.000 1.066 274 V CA -0.920 61.337 62.300 -0.072 0.000 1.039 274 V CB 1.871 33.639 31.823 -0.091 0.000 1.081 274 V HN -0.260 nan 8.190 nan 0.000 0.467 275 V N 3.473 123.320 119.914 -0.111 0.000 2.350 275 V HA 0.458 4.578 4.120 0.000 0.000 0.276 275 V C 0.983 176.967 176.094 -0.183 0.000 1.028 275 V CA -0.288 61.949 62.300 -0.105 0.000 0.860 275 V CB 0.746 32.562 31.823 -0.012 0.000 0.990 275 V HN 0.931 nan 8.190 nan 0.000 0.453 276 R N 1.540 121.845 120.500 -0.326 0.000 2.334 276 R HA 0.193 4.533 4.340 0.000 0.000 0.212 276 R C -0.094 176.060 176.300 -0.244 0.000 0.897 276 R CA -0.184 55.753 56.100 -0.271 0.000 1.056 276 R CB 0.181 30.336 30.300 -0.241 0.000 1.046 276 R HN 0.780 nan 8.270 nan 0.000 0.513 277 H N 0.060 119.105 119.070 -0.041 0.000 2.848 277 H HA 0.078 4.634 4.556 0.000 0.000 0.341 277 H C -0.119 175.188 175.328 -0.036 0.000 1.060 277 H CA -0.286 55.743 56.048 -0.032 0.000 1.444 277 H CB 0.747 30.492 29.762 -0.028 0.000 1.446 277 H HN -0.213 nan 8.280 nan 0.000 0.583 278 V N 5.400 125.367 119.914 0.087 0.000 2.432 278 V HA -0.044 4.076 4.120 0.000 0.000 0.271 278 V C 1.819 177.939 176.094 0.044 0.000 1.046 278 V CA 0.029 62.353 62.300 0.039 0.000 0.945 278 V CB 0.114 31.951 31.823 0.024 0.000 0.992 278 V HN 0.832 nan 8.190 nan 0.000 0.471 279 I N 3.276 123.861 120.570 0.025 0.000 2.361 279 I HA -0.092 4.078 4.170 0.000 0.000 0.251 279 I C 2.058 178.178 176.117 0.004 0.000 1.133 279 I CA 1.876 63.183 61.300 0.012 0.000 1.413 279 I CB -0.256 37.745 38.000 0.002 0.000 1.073 279 I HN 0.568 nan 8.210 nan 0.000 0.424 280 A N 0.930 123.753 122.820 0.006 0.000 2.216 280 A HA -0.080 4.240 4.320 0.000 0.000 0.214 280 A C 2.118 179.704 177.584 0.004 0.000 1.160 280 A CA 0.983 53.022 52.037 0.003 0.000 0.725 280 A CB -0.525 18.478 19.000 0.004 0.000 0.784 280 A HN 0.502 nan 8.150 nan 0.000 0.472 281 E N 0.023 120.228 120.200 0.008 0.000 2.208 281 E HA -0.096 4.255 4.350 0.000 0.000 0.193 281 E C 1.109 177.708 176.600 -0.001 0.000 0.988 281 E CA 0.181 56.585 56.400 0.008 0.000 0.828 281 E CB -0.177 29.534 29.700 0.019 0.000 0.763 281 E HN 0.621 nan 8.360 nan 0.000 0.478 282 R N 1.702 122.197 120.500 -0.008 0.000 2.401 282 R HA 0.069 4.409 4.340 0.000 0.000 0.299 282 R C -0.365 175.927 176.300 -0.013 0.000 1.064 282 R CA 0.029 56.118 56.100 -0.018 0.000 1.000 282 R CB 0.386 30.668 30.300 -0.029 0.000 0.973 282 R HN -0.132 nan 8.270 nan 0.000 0.438 283 R N 5.113 125.605 120.500 -0.013 0.000 2.229 283 R HA 0.285 4.625 4.340 0.000 0.000 0.328 283 R C -0.388 175.904 176.300 -0.013 0.000 1.009 283 R CA -0.548 55.545 56.100 -0.011 0.000 0.864 283 R CB 1.127 31.422 30.300 -0.008 0.000 1.085 283 R HN 0.471 nan 8.270 nan 0.000 0.453 284 L N 2.606 123.822 121.223 -0.011 0.000 2.421 284 L HA 0.370 4.710 4.340 0.000 0.000 0.263 284 L C 0.153 177.017 176.870 -0.010 0.000 1.122 284 L CA -0.473 54.359 54.840 -0.012 0.000 0.804 284 L CB 0.850 42.902 42.059 -0.011 0.000 1.150 284 L HN 0.696 nan 8.230 nan 0.000 0.457 285 D N 0.261 120.655 120.400 -0.011 0.000 2.592 285 D HA 0.396 5.036 4.640 0.000 0.000 0.263 285 D C 0.427 176.722 176.300 -0.008 0.000 1.132 285 D CA -0.281 53.714 54.000 -0.009 0.000 0.996 285 D CB 1.263 42.058 40.800 -0.009 0.000 1.442 285 D HN 0.430 nan 8.370 nan 0.000 0.486 286 A N 0.141 122.957 122.820 -0.007 0.000 1.927 286 A HA -0.044 4.276 4.320 0.000 0.000 0.220 286 A C 2.009 179.588 177.584 -0.008 0.000 1.185 286 A CA 2.514 54.547 52.037 -0.007 0.000 0.639 286 A CB -1.654 17.343 19.000 -0.006 0.000 0.820 286 A HN 0.746 nan 8.150 nan 0.000 0.451 287 G N -1.259 107.536 108.800 -0.008 0.000 2.559 287 G HA2 -0.082 3.878 3.960 0.000 0.000 0.216 287 G HA3 -0.082 3.878 3.960 0.000 0.000 0.216 287 G C 0.916 175.809 174.900 -0.011 0.000 1.126 287 G CA 0.995 46.089 45.100 -0.009 0.000 0.778 287 G HN 0.533 nan 8.290 nan 0.000 0.543 288 D N 0.199 120.592 120.400 -0.011 0.000 2.346 288 D HA 0.039 4.679 4.640 0.000 0.000 0.206 288 D C 0.881 177.174 176.300 -0.012 0.000 1.001 288 D CA -0.089 53.903 54.000 -0.013 0.000 0.871 288 D CB 0.545 41.336 40.800 -0.015 0.000 0.943 288 D HN 0.128 nan 8.370 nan 0.000 0.518 289 I N 1.616 122.181 120.570 -0.009 0.000 2.587 289 I HA 0.312 4.482 4.170 0.000 0.000 0.284 289 I C 1.327 177.440 176.117 -0.008 0.000 1.134 289 I CA 0.722 62.017 61.300 -0.008 0.000 1.410 289 I CB 0.122 38.118 38.000 -0.007 0.000 1.392 289 I HN -0.014 nan 8.210 nan 0.000 0.545 290 G N 5.379 114.175 108.800 -0.008 0.000 2.344 290 G HA2 0.142 4.102 3.960 0.000 0.000 0.282 290 G HA3 0.142 4.102 3.960 0.000 0.000 0.282 290 G C -1.147 173.748 174.900 -0.008 0.000 1.281 290 G CA -0.694 44.401 45.100 -0.008 0.000 0.877 290 G HN 0.371 nan 8.290 nan 0.000 0.494 291 T N 2.031 116.581 114.554 -0.008 0.000 2.744 291 T HA 0.547 4.897 4.350 0.000 0.000 0.291 291 T C -0.125 174.570 174.700 -0.010 0.000 0.957 291 T CA -0.241 61.854 62.100 -0.008 0.000 1.002 291 T CB 1.260 70.124 68.868 -0.007 0.000 0.919 291 T HN 0.429 nan 8.240 nan 0.000 0.468 292 E N 3.253 123.446 120.200 -0.011 0.000 2.283 292 E HA 0.197 4.547 4.350 0.000 0.000 0.267 292 E C -1.354 175.238 176.600 -0.012 0.000 1.045 292 E CA -1.991 54.401 56.400 -0.013 0.000 0.884 292 E CB 0.741 30.432 29.700 -0.015 0.000 1.106 292 E HN 0.333 nan 8.360 nan 0.000 0.408 293 P HA -0.145 nan 4.420 nan 0.000 0.215 293 P C -0.487 176.806 177.300 -0.012 0.000 1.153 293 P CA 1.467 64.560 63.100 -0.012 0.000 0.853 293 P CB 0.313 32.006 31.700 -0.012 0.000 0.788 294 E N -1.564 118.629 120.200 -0.012 0.000 2.369 294 E HA 0.602 4.952 4.350 0.000 0.000 0.270 294 E C -0.889 175.705 176.600 -0.010 0.000 0.909 294 E CA -1.192 55.202 56.400 -0.011 0.000 0.775 294 E CB 1.953 31.646 29.700 -0.012 0.000 1.270 294 E HN -0.086 nan 8.360 nan 0.000 0.445 295 A N 0.573 123.388 122.820 -0.007 0.000 2.386 295 A HA 0.386 4.706 4.320 0.000 0.000 0.246 295 A C 1.169 178.751 177.584 -0.004 0.000 1.089 295 A CA 0.405 52.440 52.037 -0.004 0.000 0.790 295 A CB -0.029 18.972 19.000 0.001 0.000 1.042 295 A HN 0.787 nan 8.150 nan 0.000 0.497 296 G N -0.727 108.072 108.800 -0.002 0.000 2.848 296 G HA2 0.313 4.273 3.960 0.000 0.000 0.208 296 G HA3 0.313 4.273 3.960 0.000 0.000 0.208 296 G C 0.409 175.306 174.900 -0.004 0.000 1.152 296 G CA 0.324 45.422 45.100 -0.004 0.000 0.789 296 G HN 0.715 nan 8.290 nan 0.000 0.531 297 Q N 0.056 119.859 119.800 0.004 0.000 2.421 297 Q HA 0.295 4.635 4.340 0.000 0.000 0.280 297 Q C -1.540 174.472 176.000 0.019 0.000 1.085 297 Q CA -1.053 54.755 55.803 0.008 0.000 0.807 297 Q CB 2.008 30.765 28.738 0.033 0.000 1.405 297 Q HN 0.013 nan 8.270 nan 0.000 0.419 298 D N 0.756 121.164 120.400 0.014 0.000 2.358 298 D HA 0.357 4.998 4.640 0.000 0.000 0.244 298 D C -0.126 176.234 176.300 0.099 0.000 1.163 298 D CA -0.043 53.975 54.000 0.030 0.000 0.945 298 D CB 0.864 41.665 40.800 0.002 0.000 1.152 298 D HN 0.625 nan 8.370 nan 0.000 0.451 299 A N 0.612 123.482 122.820 0.084 0.000 2.386 299 A HA -0.006 4.314 4.320 0.000 0.000 0.246 299 A C 0.624 178.362 177.584 0.257 0.000 1.089 299 A CA -0.064 52.032 52.037 0.100 0.000 0.790 299 A CB -0.080 18.937 19.000 0.029 0.000 1.042 299 A HN 0.545 nan 8.150 nan 0.000 0.497 300 Y N 0.840 121.156 120.300 0.027 0.000 2.256 300 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 300 Y C 2.878 178.812 175.900 0.056 0.000 1.155 300 Y CA 1.486 59.609 58.100 0.038 0.000 1.203 300 Y CB -1.297 37.177 38.460 0.024 0.000 0.980 300 Y HN 0.730 nan 8.280 nan 0.000 0.530 301 S N -1.078 114.748 115.700 0.210 0.000 2.500 301 S HA -0.100 4.371 4.470 0.000 0.000 0.239 301 S C 1.744 176.448 174.600 0.174 0.000 0.989 301 S CA 1.075 59.366 58.200 0.151 0.000 0.951 301 S CB -0.515 62.749 63.200 0.108 0.000 0.759 301 S HN 0.458 nan 8.310 nan 0.000 0.523 302 L N -0.399 120.945 121.223 0.202 0.000 2.614 302 L HA 0.363 4.703 4.340 0.000 0.000 0.185 302 L C 2.691 179.766 176.870 0.340 0.000 1.098 302 L CA 0.143 55.148 54.840 0.275 0.000 0.852 302 L CB -0.214 41.943 42.059 0.162 0.000 1.213 302 L HN 0.144 nan 8.230 nan 0.000 0.491 303 R N -0.015 120.604 120.500 0.199 0.000 2.096 303 R HA -0.141 4.199 4.340 0.000 0.000 0.235 303 R C 1.422 177.813 176.300 0.151 0.000 1.127 303 R CA 1.788 57.977 56.100 0.148 0.000 0.968 303 R CB -0.177 30.171 30.300 0.080 0.000 0.861 303 R HN 0.401 nan 8.270 nan 0.000 0.440 304 C N 0.256 119.605 119.300 0.083 0.000 2.688 304 C HA 0.442 4.902 4.460 0.000 0.000 0.297 304 C C 2.028 177.029 174.990 0.019 0.000 1.308 304 C CA -0.419 58.590 59.018 -0.015 0.000 1.726 304 C CB -0.382 27.253 27.740 -0.174 0.000 1.982 304 C HN 0.609 nan 8.230 nan 0.000 0.604 305 A N 2.638 125.517 122.820 0.097 0.000 1.908 305 A HA -0.088 4.232 4.320 0.000 0.000 0.218 305 A C -0.011 177.488 177.584 -0.142 0.000 1.181 305 A CA 1.765 53.794 52.037 -0.012 0.000 0.627 305 A CB -1.468 17.534 19.000 0.003 0.000 0.818 305 A HN 0.423 nan 8.150 nan 0.000 0.445 306 P HA -0.128 nan 4.420 nan 0.000 0.217 306 P C 1.236 178.452 177.300 -0.139 0.000 1.150 306 P CA 1.361 64.358 63.100 -0.171 0.000 0.832 306 P CB -0.028 31.615 31.700 -0.096 0.000 0.787 307 Q N -0.970 118.773 119.800 -0.095 0.000 2.123 307 Q HA -0.067 4.273 4.340 0.000 0.000 0.199 307 Q C 2.094 178.008 176.000 -0.143 0.000 0.966 307 Q CA 1.180 56.925 55.803 -0.097 0.000 0.845 307 Q CB -1.282 27.410 28.738 -0.077 0.000 0.907 307 Q HN 0.097 nan 8.270 nan 0.000 0.439 308 V N 0.226 120.053 119.914 -0.145 0.000 2.302 308 V HA -0.187 3.933 4.120 0.000 0.000 0.243 308 V C 2.079 178.018 176.094 -0.257 0.000 1.036 308 V CA 1.362 63.566 62.300 -0.160 0.000 1.020 308 V CB -0.617 31.142 31.823 -0.107 0.000 0.657 308 V HN 0.290 nan 8.190 nan 0.000 0.453 309 L N 0.709 121.729 121.223 -0.338 0.000 2.012 309 L HA -0.128 4.212 4.340 0.000 0.000 0.210 309 L C 2.680 178.998 176.870 -0.920 0.000 1.073 309 L CA 1.917 56.364 54.840 -0.656 0.000 0.748 309 L CB -1.273 40.385 42.059 -0.669 0.000 0.891 309 L HN 0.491 nan 8.230 nan 0.000 0.431 310 G N -0.463 108.012 108.800 -0.542 0.000 2.442 310 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 310 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 310 G C 1.761 176.553 174.900 -0.180 0.000 1.141 310 G CA 0.840 45.760 45.100 -0.301 0.000 0.763 310 G HN 0.483 nan 8.290 nan 0.000 0.554 311 A N 0.758 123.453 122.820 -0.208 0.000 1.930 311 A HA 0.195 4.515 4.320 0.000 0.000 0.217 311 A C 2.677 180.201 177.584 -0.100 0.000 1.175 311 A CA 1.988 53.925 52.037 -0.167 0.000 0.627 311 A CB -0.897 17.995 19.000 -0.180 0.000 0.815 311 A HN 0.500 nan 8.150 nan 0.000 0.443 312 G N -1.154 107.556 108.800 -0.151 0.000 2.408 312 G HA2 -0.092 3.868 3.960 0.000 0.000 0.217 312 G HA3 -0.092 3.868 3.960 0.000 0.000 0.217 312 G C 1.277 176.274 174.900 0.163 0.000 1.150 312 G CA 0.969 46.034 45.100 -0.058 0.000 0.776 312 G HN 0.375 nan 8.290 nan 0.000 0.542 313 F N 1.733 121.689 119.950 0.009 0.000 2.186 313 F HA 0.044 4.571 4.527 0.000 0.000 0.299 313 F C 2.280 178.107 175.800 0.044 0.000 1.090 313 F CA 0.360 58.377 58.000 0.029 0.000 1.307 313 F CB -0.603 38.408 39.000 0.017 0.000 1.019 313 F HN 0.115 nan 8.300 nan 0.000 0.489 314 D N -0.582 119.949 120.400 0.219 0.000 2.178 314 D HA -0.099 4.541 4.640 0.000 0.000 0.202 314 D C 2.219 178.632 176.300 0.188 0.000 0.974 314 D CA 1.414 55.510 54.000 0.159 0.000 0.841 314 D CB -0.397 40.447 40.800 0.074 0.000 0.953 314 D HN 0.191 nan 8.370 nan 0.000 0.478 315 T N 1.294 115.950 114.554 0.170 0.000 2.737 315 T HA -0.125 4.225 4.350 0.000 0.000 0.265 315 T C 1.927 176.790 174.700 0.273 0.000 1.038 315 T CA 0.450 62.689 62.100 0.231 0.000 1.144 315 T CB -0.282 68.674 68.868 0.147 0.000 0.866 315 T HN 0.040 nan 8.240 nan 0.000 0.434 316 L N 1.561 122.903 121.223 0.198 0.000 2.083 316 L HA 0.058 4.398 4.340 0.000 0.000 0.209 316 L C 2.574 179.558 176.870 0.191 0.000 1.083 316 L CA 1.806 56.737 54.840 0.152 0.000 0.752 316 L CB -1.032 41.099 42.059 0.120 0.000 0.899 316 L HN 0.225 nan 8.230 nan 0.000 0.433 317 A N -1.210 121.725 122.820 0.193 0.000 1.902 317 A HA -0.278 4.042 4.320 0.000 0.000 0.217 317 A C 2.120 179.840 177.584 0.227 0.000 1.181 317 A CA 1.755 53.896 52.037 0.173 0.000 0.623 317 A CB -1.424 17.672 19.000 0.160 0.000 0.818 317 A HN 0.747 nan 8.150 nan 0.000 0.443 318 W N 0.383 121.742 121.300 0.099 0.000 2.379 318 W HA -0.183 4.477 4.660 0.000 0.000 0.307 318 W C 2.259 178.846 176.519 0.113 0.000 1.200 318 W CA 1.915 59.314 57.345 0.090 0.000 1.297 318 W CB -0.836 28.671 29.460 0.078 0.000 1.140 318 W HN 0.627 nan 8.180 nan 0.000 0.507 319 H N 0.167 119.149 119.070 -0.146 0.000 2.319 319 H HA -0.183 4.374 4.556 0.000 0.000 0.297 319 H C 1.376 176.575 175.328 -0.216 0.000 1.097 319 H CA 2.454 58.313 56.048 -0.315 0.000 1.285 319 H CB -0.528 29.170 29.762 -0.107 0.000 1.368 319 H HN 0.072 nan 8.280 nan 0.000 0.495 320 D N 0.202 120.635 120.400 0.054 0.000 2.144 320 D HA -0.068 4.572 4.640 0.000 0.000 0.200 320 D C 2.606 178.867 176.300 -0.065 0.000 0.978 320 D CA 0.534 54.540 54.000 0.010 0.000 0.833 320 D CB -0.222 40.631 40.800 0.089 0.000 0.961 320 D HN 0.381 nan 8.370 nan 0.000 0.470 321 R N 0.314 120.787 120.500 -0.044 0.000 2.073 321 R HA -0.069 4.271 4.340 0.000 0.000 0.234 321 R C 2.324 178.566 176.300 -0.097 0.000 1.134 321 R CA 0.826 56.912 56.100 -0.022 0.000 0.952 321 R CB -0.470 29.868 30.300 0.063 0.000 0.850 321 R HN 0.101 nan 8.270 nan 0.000 0.433 322 V N 1.362 121.138 119.914 -0.230 0.000 2.358 322 V HA -0.220 3.900 4.120 0.000 0.000 0.246 322 V C 2.225 178.171 176.094 -0.247 0.000 1.047 322 V CA 1.396 63.542 62.300 -0.257 0.000 1.035 322 V CB -0.442 31.118 31.823 -0.438 0.000 0.658 322 V HN 0.234 nan 8.190 nan 0.000 0.452 323 L N 0.015 121.047 121.223 -0.319 0.000 2.083 323 L HA -0.143 4.197 4.340 0.000 0.000 0.209 323 L C 2.441 179.219 176.870 -0.154 0.000 1.083 323 L CA 2.332 57.009 54.840 -0.272 0.000 0.752 323 L CB -0.937 40.906 42.059 -0.360 0.000 0.899 323 L HN 0.339 nan 8.230 nan 0.000 0.433 324 T N -0.206 114.282 114.554 -0.109 0.000 2.746 324 T HA -0.156 4.194 4.350 0.000 0.000 0.267 324 T C 1.966 176.637 174.700 -0.047 0.000 1.039 324 T CA 1.958 64.026 62.100 -0.054 0.000 1.142 324 T CB -0.285 68.594 68.868 0.019 0.000 0.866 324 T HN 0.312 nan 8.240 nan 0.000 0.444 325 I N 0.716 121.252 120.570 -0.056 0.000 2.179 325 I HA -0.164 4.006 4.170 0.000 0.000 0.242 325 I C 2.728 178.789 176.117 -0.094 0.000 1.088 325 I CA 1.323 62.588 61.300 -0.060 0.000 1.357 325 I CB -0.308 37.637 38.000 -0.092 0.000 1.051 325 I HN 0.214 nan 8.210 nan 0.000 0.409 326 E N 1.268 121.392 120.200 -0.127 0.000 2.051 326 E HA -0.259 4.091 4.350 0.000 0.000 0.192 326 E C 2.032 178.577 176.600 -0.091 0.000 0.991 326 E CA 1.305 57.633 56.400 -0.121 0.000 0.799 326 E CB -0.298 29.326 29.700 -0.127 0.000 0.748 326 E HN 0.308 nan 8.360 nan 0.000 0.449 327 L N 1.026 122.192 121.223 -0.094 0.000 2.042 327 L HA -0.122 4.218 4.340 0.000 0.000 0.210 327 L C 1.257 178.073 176.870 -0.091 0.000 1.076 327 L CA 1.870 56.656 54.840 -0.090 0.000 0.749 327 L CB -0.462 41.535 42.059 -0.103 0.000 0.893 327 L HN 0.158 nan 8.230 nan 0.000 0.432 328 N N -0.102 118.541 118.700 -0.095 0.000 2.322 328 N HA 0.180 4.920 4.740 0.000 0.000 0.194 328 N C 0.300 175.787 175.510 -0.038 0.000 1.126 328 N CA 0.623 53.628 53.050 -0.075 0.000 0.845 328 N CB 0.206 38.653 38.487 -0.067 0.000 0.976 328 N HN 0.433 nan 8.380 nan 0.000 0.475 329 A N 0.235 123.025 122.820 -0.048 0.000 2.261 329 A HA 0.585 4.905 4.320 0.000 0.000 0.323 329 A C -0.010 177.552 177.584 -0.036 0.000 1.107 329 A CA -0.417 51.594 52.037 -0.044 0.000 0.883 329 A CB 1.062 20.021 19.000 -0.067 0.000 1.251 329 A HN -0.041 nan 8.150 nan 0.000 0.502 330 V N 1.307 121.201 119.914 -0.033 0.000 2.318 330 V HA 0.296 4.416 4.120 0.000 0.000 0.271 330 V C 0.915 176.991 176.094 -0.029 0.000 1.030 330 V CA 0.409 62.696 62.300 -0.023 0.000 0.844 330 V CB 0.591 32.404 31.823 -0.017 0.000 1.015 330 V HN 1.027 nan 8.190 nan 0.000 0.460 331 T N -0.660 113.886 114.554 -0.012 0.000 3.186 331 T HA 0.198 4.548 4.350 0.000 0.000 0.257 331 T C 0.172 174.901 174.700 0.049 0.000 1.029 331 T CA -0.529 61.572 62.100 0.002 0.000 0.916 331 T CB -0.345 68.532 68.868 0.016 0.000 1.041 331 T HN 0.534 nan 8.240 nan 0.000 0.562 332 D N 2.452 122.871 120.400 0.032 0.000 2.357 332 D HA 0.510 5.150 4.640 0.000 0.000 0.242 332 D C -0.074 176.256 176.300 0.049 0.000 1.153 332 D CA 0.067 54.099 54.000 0.053 0.000 0.918 332 D CB 0.490 41.303 40.800 0.023 0.000 1.181 332 D HN 0.338 nan 8.370 nan 0.000 0.435 333 N N -0.017 118.735 118.700 0.086 0.000 2.537 333 N HA 0.273 5.013 4.740 0.000 0.000 0.281 333 N C -2.925 172.610 175.510 0.042 0.000 1.097 333 N CA -1.260 51.816 53.050 0.045 0.000 0.964 333 N CB 1.816 40.461 38.487 0.264 0.000 1.588 333 N HN 0.021 nan 8.380 nan 0.000 0.511 334 P HA 0.322 nan 4.420 nan 0.000 0.279 334 P C -0.852 176.144 177.300 -0.506 0.000 1.282 334 P CA -0.441 62.388 63.100 -0.451 0.000 0.788 334 P CB 0.917 32.132 31.700 -0.809 0.000 1.139 335 V N -3.782 115.765 119.914 -0.611 0.000 3.001 335 V HA 0.644 4.764 4.120 0.000 0.000 0.314 335 V C -0.988 174.672 176.094 -0.722 0.000 1.099 335 V CA -0.945 61.036 62.300 -0.531 0.000 0.989 335 V CB 1.626 33.316 31.823 -0.222 0.000 1.040 335 V HN 0.237 nan 8.190 nan 0.000 0.434 336 F N 1.619 121.554 119.950 -0.024 0.000 2.359 336 F HA 0.607 5.134 4.527 0.000 0.000 0.369 336 F C -2.439 173.356 175.800 -0.009 0.000 1.084 336 F CA -2.466 55.526 58.000 -0.012 0.000 1.096 336 F CB 1.375 40.373 39.000 -0.003 0.000 1.335 336 F HN 0.293 nan 8.300 nan 0.000 0.457 337 P HA -0.017 nan 4.420 nan 0.000 0.256 337 P C -1.986 175.359 177.300 0.073 0.000 1.173 337 P CA -0.591 62.545 63.100 0.061 0.000 0.768 337 P CB 0.412 32.134 31.700 0.037 0.000 0.758 338 P HA -0.193 nan 4.420 nan 0.000 0.219 338 P C 0.823 178.143 177.300 0.033 0.000 1.146 338 P CA 1.390 64.517 63.100 0.044 0.000 0.808 338 P CB -0.097 31.622 31.700 0.031 0.000 0.779 339 D N -1.866 118.552 120.400 0.029 0.000 2.347 339 D HA 0.038 4.678 4.640 0.000 0.000 0.215 339 D C 1.438 177.754 176.300 0.027 0.000 0.976 339 D CA 0.850 54.864 54.000 0.023 0.000 0.884 339 D CB -1.191 39.619 40.800 0.017 0.000 0.915 339 D HN 0.171 nan 8.370 nan 0.000 0.526 340 G N 0.202 109.025 108.800 0.039 0.000 2.153 340 G HA2 -0.376 3.584 3.960 0.000 0.000 0.252 340 G HA3 -0.376 3.584 3.960 0.000 0.000 0.252 340 G C 1.225 176.148 174.900 0.038 0.000 0.994 340 G CA 1.102 46.228 45.100 0.043 0.000 0.698 340 G HN 0.630 nan 8.290 nan 0.000 0.521 341 S N -1.456 114.264 115.700 0.033 0.000 2.370 341 S HA 0.190 4.660 4.470 0.000 0.000 0.226 341 S C 1.199 175.819 174.600 0.033 0.000 1.033 341 S CA 1.871 60.088 58.200 0.027 0.000 1.011 341 S CB -0.369 62.844 63.200 0.020 0.000 0.852 341 S HN 2.019 nan 8.310 nan 0.000 0.457 342 V N -3.415 116.525 119.914 0.042 0.000 3.007 342 V HA 0.556 4.676 4.120 0.000 0.000 0.311 342 V C -2.500 173.640 176.094 0.078 0.000 1.120 342 V CA -2.208 60.123 62.300 0.052 0.000 0.980 342 V CB 1.264 33.112 31.823 0.042 0.000 1.033 342 V HN -0.126 nan 8.190 nan 0.000 0.429 343 P HA 0.160 nan 4.420 nan 0.000 0.215 343 P C 0.316 177.742 177.300 0.211 0.000 1.153 343 P CA 2.306 65.495 63.100 0.149 0.000 0.853 343 P CB 0.170 31.956 31.700 0.142 0.000 0.788 344 A N -2.158 120.733 122.820 0.117 0.000 2.608 344 A HA 0.642 4.963 4.320 0.000 0.000 0.292 344 A C -1.894 175.657 177.584 -0.054 0.000 1.066 344 A CA -0.544 51.474 52.037 -0.031 0.000 0.676 344 A CB 0.450 19.386 19.000 -0.107 0.000 1.277 344 A HN -0.047 nan 8.150 nan 0.000 0.413 345 L N 1.091 122.199 121.223 -0.193 0.000 2.362 345 L HA 0.594 4.934 4.340 0.000 0.000 0.271 345 L C -1.089 175.632 176.870 -0.248 0.000 1.002 345 L CA -0.694 54.080 54.840 -0.110 0.000 0.818 345 L CB 2.246 44.247 42.059 -0.096 0.000 1.298 345 L HN 0.853 nan 8.230 nan 0.000 0.420 346 H N 1.143 120.148 119.070 -0.108 0.000 2.505 346 H HA 0.758 5.314 4.556 0.000 0.000 0.338 346 H C 0.161 175.430 175.328 -0.098 0.000 1.057 346 H CA -0.133 55.853 56.048 -0.104 0.000 1.202 346 H CB 1.962 31.661 29.762 -0.105 0.000 1.466 346 H HN 0.742 nan 8.280 nan 0.000 0.499 347 G N 0.644 109.423 108.800 -0.034 0.000 2.677 347 G HA2 0.440 4.400 3.960 0.000 0.000 0.283 347 G HA3 0.440 4.400 3.960 0.000 0.000 0.283 347 G C -0.307 174.456 174.900 -0.228 0.000 1.221 347 G CA -0.280 44.761 45.100 -0.099 0.000 0.851 347 G HN 0.667 nan 8.290 nan 0.000 0.504 348 G N 0.023 108.573 108.800 -0.416 0.000 4.716 348 G HA2 0.296 4.256 3.960 0.000 0.000 0.282 348 G HA3 0.296 4.256 3.960 0.000 0.000 0.282 348 G C 0.246 174.579 174.900 -0.945 0.000 1.173 348 G CA -0.141 44.363 45.100 -0.994 0.000 0.913 348 G HN 0.268 nan 8.290 nan 0.000 0.566 349 N N 0.892 119.249 118.700 -0.572 0.000 2.609 349 N HA -0.041 4.699 4.740 0.000 0.000 0.190 349 N C 1.457 176.829 175.510 -0.230 0.000 1.157 349 N CA 0.323 53.184 53.050 -0.315 0.000 0.918 349 N CB -0.149 38.238 38.487 -0.167 0.000 0.978 349 N HN 0.637 nan 8.380 nan 0.000 0.448 350 F N -1.208 118.725 119.950 -0.028 0.000 2.789 350 F HA 0.334 4.862 4.527 0.000 0.000 0.300 350 F C 0.826 176.624 175.800 -0.004 0.000 1.132 350 F CA -0.805 57.184 58.000 -0.019 0.000 1.404 350 F CB -0.673 38.315 39.000 -0.021 0.000 1.114 350 F HN -0.169 nan 8.300 nan 0.000 0.584 351 M N 2.762 122.332 119.600 -0.050 0.000 2.350 351 M HA 0.352 4.832 4.480 0.000 0.000 0.338 351 M C 0.966 177.308 176.300 0.071 0.000 1.559 351 M CA -0.498 54.846 55.300 0.073 0.000 1.217 351 M CB 0.141 32.704 32.600 -0.062 0.000 1.808 351 M HN 0.236 nan 8.290 nan 0.000 0.458 352 G N 3.456 112.318 108.800 0.103 0.000 3.452 352 G HA2 0.028 3.988 3.960 0.000 0.000 0.258 352 G HA3 0.028 3.988 3.960 0.000 0.000 0.258 352 G C 0.694 175.633 174.900 0.065 0.000 1.305 352 G CA -0.190 44.957 45.100 0.078 0.000 1.514 352 G HN 0.811 nan 8.290 nan 0.000 0.593 353 Q N 0.072 119.908 119.800 0.060 0.000 2.119 353 Q HA -0.103 4.237 4.340 0.000 0.000 0.201 353 Q C 1.959 177.940 176.000 -0.033 0.000 0.972 353 Q CA 1.506 57.313 55.803 0.007 0.000 0.847 353 Q CB -0.147 28.572 28.738 -0.032 0.000 0.903 353 Q HN 0.722 nan 8.270 nan 0.000 0.433 354 H N -1.638 117.415 119.070 -0.027 0.000 2.293 354 H HA -0.088 4.468 4.556 0.000 0.000 0.300 354 H C 1.825 177.082 175.328 -0.118 0.000 1.082 354 H CA 1.860 57.869 56.048 -0.065 0.000 1.308 354 H CB -0.101 29.609 29.762 -0.086 0.000 1.375 354 H HN 0.074 nan 8.280 nan 0.000 0.495 355 V N 0.494 120.422 119.914 0.023 0.000 2.515 355 V HA -0.224 3.896 4.120 0.000 0.000 0.250 355 V C 2.478 178.564 176.094 -0.012 0.000 1.058 355 V CA 1.385 63.658 62.300 -0.045 0.000 1.064 355 V CB -0.913 30.893 31.823 -0.028 0.000 0.675 355 V HN 0.575 nan 8.190 nan 0.000 0.461 356 A N 0.022 122.848 122.820 0.011 0.000 1.858 356 A HA -0.152 4.168 4.320 0.000 0.000 0.216 356 A C 2.200 179.802 177.584 0.030 0.000 1.190 356 A CA 1.780 53.834 52.037 0.027 0.000 0.617 356 A CB -0.501 18.516 19.000 0.029 0.000 0.827 356 A HN 0.485 nan 8.150 nan 0.000 0.443 357 L N -0.138 121.094 121.223 0.016 0.000 2.056 357 L HA -0.149 4.191 4.340 0.000 0.000 0.207 357 L C 3.007 179.930 176.870 0.088 0.000 1.078 357 L CA 1.816 56.696 54.840 0.067 0.000 0.749 357 L CB -0.988 41.126 42.059 0.091 0.000 0.901 357 L HN 0.661 nan 8.230 nan 0.000 0.433 358 T N -4.382 110.124 114.554 -0.080 0.000 2.821 358 T HA -0.110 4.241 4.350 0.000 0.000 0.267 358 T C 2.042 176.817 174.700 0.126 0.000 1.046 358 T CA 1.311 63.303 62.100 -0.179 0.000 1.139 358 T CB -0.290 68.263 68.868 -0.526 0.000 0.871 358 T HN 0.121 nan 8.240 nan 0.000 0.454 359 S N 1.629 117.400 115.700 0.119 0.000 2.368 359 S HA -0.108 4.362 4.470 0.000 0.000 0.225 359 S C 1.886 176.545 174.600 0.099 0.000 1.030 359 S CA 1.281 59.569 58.200 0.146 0.000 0.999 359 S CB -0.575 62.690 63.200 0.108 0.000 0.844 359 S HN 0.524 nan 8.310 nan 0.000 0.459 360 D N 1.564 122.017 120.400 0.090 0.000 2.117 360 D HA -0.010 4.630 4.640 0.000 0.000 0.197 360 D C 2.117 178.470 176.300 0.088 0.000 0.987 360 D CA 1.208 55.255 54.000 0.078 0.000 0.829 360 D CB -0.425 40.417 40.800 0.070 0.000 0.961 360 D HN 0.377 nan 8.370 nan 0.000 0.460 361 A N 0.687 123.594 122.820 0.145 0.000 1.898 361 A HA -0.130 4.190 4.320 0.000 0.000 0.216 361 A C 2.150 179.804 177.584 0.116 0.000 1.181 361 A CA 0.936 53.078 52.037 0.175 0.000 0.620 361 A CB -0.687 18.543 19.000 0.382 0.000 0.819 361 A HN 0.242 nan 8.150 nan 0.000 0.442 362 L N -0.204 121.078 121.223 0.098 0.000 2.083 362 L HA -0.034 4.306 4.340 0.000 0.000 0.209 362 L C 2.642 179.495 176.870 -0.028 0.000 1.083 362 L CA 2.039 56.880 54.840 0.001 0.000 0.752 362 L CB -0.797 41.174 42.059 -0.147 0.000 0.899 362 L HN 0.346 nan 8.230 nan 0.000 0.433 363 A N -1.544 121.275 122.820 -0.002 0.000 1.908 363 A HA -0.220 4.100 4.320 0.000 0.000 0.218 363 A C 2.268 179.828 177.584 -0.040 0.000 1.181 363 A CA 2.369 54.398 52.037 -0.013 0.000 0.627 363 A CB -1.207 17.803 19.000 0.016 0.000 0.818 363 A HN 0.505 nan 8.150 nan 0.000 0.445 364 T N 0.236 114.776 114.554 -0.022 0.000 2.708 364 T HA -0.004 4.346 4.350 0.000 0.000 0.266 364 T C 2.244 176.892 174.700 -0.087 0.000 1.037 364 T CA 1.582 63.658 62.100 -0.041 0.000 1.146 364 T CB -0.479 68.379 68.868 -0.015 0.000 0.865 364 T HN 0.608 nan 8.240 nan 0.000 0.435 365 A N 1.000 123.771 122.820 -0.082 0.000 1.908 365 A HA -0.069 4.251 4.320 0.000 0.000 0.218 365 A C 2.584 180.009 177.584 -0.266 0.000 1.181 365 A CA 1.414 53.372 52.037 -0.131 0.000 0.627 365 A CB -1.073 17.885 19.000 -0.070 0.000 0.818 365 A HN 0.354 nan 8.150 nan 0.000 0.445 366 V N -0.239 119.506 119.914 -0.282 0.000 2.343 366 V HA -0.227 3.893 4.120 0.000 0.000 0.247 366 V C 2.732 178.513 176.094 -0.522 0.000 1.051 366 V CA 2.462 64.456 62.300 -0.510 0.000 1.036 366 V CB -1.175 30.502 31.823 -0.243 0.000 0.654 366 V HN 0.626 nan 8.190 nan 0.000 0.451 367 T N -0.280 114.109 114.554 -0.276 0.000 2.821 367 T HA -0.137 4.213 4.350 0.000 0.000 0.267 367 T C 1.938 176.507 174.700 -0.220 0.000 1.046 367 T CA 1.465 63.442 62.100 -0.205 0.000 1.139 367 T CB -0.142 68.663 68.868 -0.106 0.000 0.871 367 T HN 0.282 nan 8.240 nan 0.000 0.454 368 V N 1.216 120.999 119.914 -0.218 0.000 2.295 368 V HA -0.102 4.018 4.120 0.000 0.000 0.246 368 V C 2.405 178.363 176.094 -0.227 0.000 1.049 368 V CA 1.364 63.556 62.300 -0.180 0.000 1.024 368 V CB -0.562 31.170 31.823 -0.152 0.000 0.648 368 V HN 0.317 nan 8.190 nan 0.000 0.447 369 L N 0.285 121.284 121.223 -0.373 0.000 2.141 369 L HA -0.053 4.287 4.340 0.000 0.000 0.209 369 L C 2.528 179.186 176.870 -0.352 0.000 1.094 369 L CA 2.047 56.657 54.840 -0.382 0.000 0.763 369 L CB -1.115 40.602 42.059 -0.570 0.000 0.908 369 L HN 0.289 nan 8.230 nan 0.000 0.437 370 A N -0.627 121.846 122.820 -0.578 0.000 1.969 370 A HA -0.054 4.266 4.320 0.000 0.000 0.218 370 A C 2.425 179.981 177.584 -0.046 0.000 1.169 370 A CA 1.457 53.341 52.037 -0.255 0.000 0.635 370 A CB -1.217 17.648 19.000 -0.225 0.000 0.810 370 A HN 0.421 nan 8.150 nan 0.000 0.445 371 G N -0.000 108.746 108.800 -0.090 0.000 2.418 371 G HA2 -0.143 3.817 3.960 0.000 0.000 0.217 371 G HA3 -0.143 3.817 3.960 0.000 0.000 0.217 371 G C 1.482 176.384 174.900 0.004 0.000 1.158 371 G CA 1.201 46.282 45.100 -0.031 0.000 0.771 371 G HN 0.509 nan 8.290 nan 0.000 0.545 372 L N 1.507 122.727 121.223 -0.004 0.000 1.989 372 L HA 0.088 4.428 4.340 0.000 0.000 0.211 372 L C 3.052 179.967 176.870 0.074 0.000 1.071 372 L CA 2.465 57.325 54.840 0.034 0.000 0.749 372 L CB -0.889 41.183 42.059 0.022 0.000 0.890 372 L HN 0.224 nan 8.230 nan 0.000 0.431 373 A N -0.859 122.031 122.820 0.116 0.000 1.908 373 A HA -0.254 4.066 4.320 0.000 0.000 0.218 373 A C 2.332 179.979 177.584 0.103 0.000 1.181 373 A CA 1.836 53.961 52.037 0.147 0.000 0.627 373 A CB -0.842 18.308 19.000 0.250 0.000 0.818 373 A HN 0.632 nan 8.150 nan 0.000 0.445 374 E N -0.086 120.167 120.200 0.089 0.000 2.077 374 E HA -0.207 4.143 4.350 0.000 0.000 0.193 374 E C 2.095 178.730 176.600 0.059 0.000 0.989 374 E CA 0.952 57.394 56.400 0.069 0.000 0.800 374 E CB -0.224 29.510 29.700 0.056 0.000 0.746 374 E HN 0.383 nan 8.360 nan 0.000 0.452 375 R N 0.356 120.888 120.500 0.053 0.000 2.115 375 R HA -0.048 4.292 4.340 0.000 0.000 0.230 375 R C 2.377 178.708 176.300 0.051 0.000 1.111 375 R CA 0.866 56.994 56.100 0.047 0.000 0.976 375 R CB -0.416 29.909 30.300 0.043 0.000 0.870 375 R HN 0.406 nan 8.270 nan 0.000 0.445 376 Q N -0.008 119.829 119.800 0.061 0.000 2.119 376 Q HA -0.045 4.295 4.340 0.000 0.000 0.201 376 Q C 2.165 178.191 176.000 0.042 0.000 0.972 376 Q CA 1.118 56.956 55.803 0.060 0.000 0.847 376 Q CB -0.080 28.704 28.738 0.076 0.000 0.903 376 Q HN 0.315 nan 8.270 nan 0.000 0.433 377 I N 0.541 121.137 120.570 0.043 0.000 2.202 377 I HA -0.248 3.922 4.170 0.000 0.000 0.242 377 I C 2.418 178.562 176.117 0.045 0.000 1.091 377 I CA 0.917 62.236 61.300 0.032 0.000 1.368 377 I CB -0.414 37.611 38.000 0.042 0.000 1.058 377 I HN 0.143 nan 8.210 nan 0.000 0.410 378 A N 0.813 123.666 122.820 0.056 0.000 1.978 378 A HA -0.250 4.070 4.320 0.000 0.000 0.220 378 A C 2.432 180.035 177.584 0.031 0.000 1.170 378 A CA 1.919 53.993 52.037 0.061 0.000 0.636 378 A CB -0.629 18.405 19.000 0.057 0.000 0.810 378 A HN 0.405 nan 8.150 nan 0.000 0.448 379 R N -0.933 119.579 120.500 0.020 0.000 2.062 379 R HA -0.024 4.317 4.340 0.000 0.000 0.226 379 R C 2.027 178.317 176.300 -0.016 0.000 1.125 379 R CA 1.392 57.493 56.100 0.002 0.000 0.966 379 R CB -0.448 29.860 30.300 0.013 0.000 0.861 379 R HN 0.374 nan 8.270 nan 0.000 0.433 380 L N 1.318 122.536 121.223 -0.008 0.000 2.127 380 L HA -0.123 4.217 4.340 0.000 0.000 0.211 380 L C 1.928 178.770 176.870 -0.047 0.000 1.089 380 L CA 2.460 57.285 54.840 -0.025 0.000 0.757 380 L CB -0.470 41.574 42.059 -0.025 0.000 0.899 380 L HN 0.485 nan 8.230 nan 0.000 0.434 381 T N -4.388 110.142 114.554 -0.041 0.000 3.107 381 T HA 0.041 4.391 4.350 0.000 0.000 0.249 381 T C 0.723 175.223 174.700 -0.332 0.000 1.096 381 T CA -0.129 61.922 62.100 -0.082 0.000 1.012 381 T CB -0.427 68.516 68.868 0.124 0.000 0.977 381 T HN 0.254 nan 8.240 nan 0.000 0.527 382 D N 2.631 122.898 120.400 -0.222 0.000 2.347 382 D HA 0.070 4.710 4.640 0.000 0.000 0.235 382 D C 1.321 177.496 176.300 -0.208 0.000 1.149 382 D CA -0.286 53.560 54.000 -0.257 0.000 0.850 382 D CB 1.293 42.027 40.800 -0.110 0.000 1.061 382 D HN 0.606 nan 8.370 nan 0.000 0.487 383 E N 3.403 123.451 120.200 -0.253 0.000 2.209 383 E HA -0.213 4.137 4.350 0.000 0.000 0.196 383 E C 1.119 177.669 176.600 -0.083 0.000 0.993 383 E CA 0.790 57.106 56.400 -0.141 0.000 0.819 383 E CB 0.050 29.681 29.700 -0.115 0.000 0.745 383 E HN 0.376 nan 8.360 nan 0.000 0.477 384 R N 0.061 120.515 120.500 -0.077 0.000 2.236 384 R HA 0.138 4.478 4.340 0.000 0.000 0.208 384 R C 1.837 178.112 176.300 -0.041 0.000 1.036 384 R CA 0.710 56.782 56.100 -0.046 0.000 1.001 384 R CB 0.111 30.390 30.300 -0.035 0.000 0.896 384 R HN 0.279 nan 8.270 nan 0.000 0.464 385 L N 0.140 121.333 121.223 -0.050 0.000 2.781 385 L HA 0.111 4.451 4.340 0.000 0.000 0.245 385 L C 0.585 177.434 176.870 -0.035 0.000 1.118 385 L CA -0.101 54.716 54.840 -0.037 0.000 0.918 385 L CB 0.154 42.193 42.059 -0.033 0.000 1.246 385 L HN 0.139 nan 8.230 nan 0.000 0.526 386 N N 0.848 119.521 118.700 -0.046 0.000 2.362 386 N HA -0.039 4.701 4.740 0.000 0.000 0.204 386 N C 0.027 175.519 175.510 -0.028 0.000 1.166 386 N CA -0.281 52.746 53.050 -0.038 0.000 0.831 386 N CB -0.181 38.275 38.487 -0.051 0.000 1.008 386 N HN 0.072 nan 8.380 nan 0.000 0.472 387 R N -0.464 120.021 120.500 -0.025 0.000 3.264 387 R HA -0.168 4.173 4.340 0.000 0.000 0.251 387 R C 0.757 177.047 176.300 -0.017 0.000 0.971 387 R CA 0.481 56.570 56.100 -0.019 0.000 0.658 387 R CB -2.152 28.139 30.300 -0.015 0.000 1.095 387 R HN 0.625 nan 8.270 nan 0.000 0.443 388 G N -0.961 107.828 108.800 -0.019 0.000 2.176 388 G HA2 -0.300 3.661 3.960 0.000 0.000 0.232 388 G HA3 -0.300 3.661 3.960 0.000 0.000 0.232 388 G C 0.252 175.142 174.900 -0.016 0.000 0.986 388 G CA 0.068 45.159 45.100 -0.014 0.000 0.643 388 G HN 0.264 nan 8.290 nan 0.000 0.522 389 L N 1.474 122.683 121.223 -0.023 0.000 2.436 389 L HA 0.421 4.761 4.340 0.000 0.000 0.265 389 L C -1.594 175.262 176.870 -0.024 0.000 1.168 389 L CA -2.034 52.791 54.840 -0.025 0.000 0.815 389 L CB 0.669 42.712 42.059 -0.027 0.000 1.109 389 L HN -0.092 nan 8.230 nan 0.000 0.462 390 P HA 0.038 nan 4.420 nan 0.000 0.267 390 P C -2.476 174.857 177.300 0.056 0.000 1.200 390 P CA -0.866 62.240 63.100 0.010 0.000 0.772 390 P CB -0.186 31.415 31.700 -0.164 0.000 0.855 391 P HA -0.009 nan 4.420 nan 0.000 0.267 391 P C -0.220 177.119 177.300 0.065 0.000 1.209 391 P CA 0.330 63.367 63.100 -0.105 0.000 0.763 391 P CB -0.137 31.546 31.700 -0.029 0.000 0.816 392 F N 1.530 121.580 119.950 0.167 0.000 3.069 392 F HA -0.244 4.283 4.527 0.000 0.000 0.285 392 F C 1.313 177.293 175.800 0.300 0.000 0.827 392 F CA 0.341 58.465 58.000 0.207 0.000 1.108 392 F CB -2.637 36.473 39.000 0.183 0.000 1.252 392 F HN 0.273 nan 8.300 nan 0.000 0.483 393 L N -1.688 119.701 121.223 0.277 0.000 3.737 393 L HA -0.316 4.024 4.340 0.000 0.000 0.418 393 L C 1.343 178.377 176.870 0.274 0.000 1.216 393 L CA 1.017 55.997 54.840 0.233 0.000 0.915 393 L CB -2.021 40.174 42.059 0.226 0.000 1.834 393 L HN 0.698 nan 8.230 nan 0.000 0.943 394 H N 0.511 119.712 119.070 0.218 0.000 2.671 394 H HA 0.671 5.227 4.556 0.000 0.000 0.372 394 H C 0.248 175.638 175.328 0.104 0.000 1.227 394 H CA -0.403 55.733 56.048 0.146 0.000 1.426 394 H CB 0.886 30.722 29.762 0.123 0.000 1.480 394 H HN 0.299 nan 8.280 nan 0.000 0.611 395 R N -0.217 120.281 120.500 -0.003 0.000 2.837 395 R HA 0.481 4.821 4.340 0.000 0.000 0.271 395 R C -0.458 175.923 176.300 0.135 0.000 0.993 395 R CA -0.224 55.850 56.100 -0.044 0.000 0.931 395 R CB 2.242 32.544 30.300 0.003 0.000 1.206 395 R HN 1.131 nan 8.270 nan 0.000 0.474 396 G N 1.701 110.564 108.800 0.104 0.000 2.757 396 G HA2 -0.171 3.789 3.960 0.000 0.000 0.638 396 G HA3 -0.171 3.789 3.960 0.000 0.000 0.638 396 G C -2.787 172.239 174.900 0.210 0.000 1.344 396 G CA -1.286 43.891 45.100 0.128 0.000 0.855 396 G HN 0.379 nan 8.290 nan 0.000 0.537 397 P HA 0.444 nan 4.420 nan 0.000 0.264 397 P C 0.469 177.802 177.300 0.055 0.000 1.193 397 P CA 0.824 63.990 63.100 0.110 0.000 0.763 397 P CB 0.681 32.412 31.700 0.051 0.000 0.810 398 A N 3.387 126.216 122.820 0.014 0.000 2.445 398 A HA 0.472 4.792 4.320 0.000 0.000 0.242 398 A C 1.613 179.091 177.584 -0.176 0.000 1.075 398 A CA 0.798 52.635 52.037 -0.333 0.000 0.777 398 A CB -0.985 17.913 19.000 -0.170 0.000 1.013 398 A HN 0.813 nan 8.150 nan 0.000 0.493 399 G N 0.272 108.951 108.800 -0.201 0.000 3.329 399 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 399 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 399 G C 1.078 175.932 174.900 -0.077 0.000 1.358 399 G CA 0.559 45.602 45.100 -0.096 0.000 0.856 399 G HN 0.859 nan 8.290 nan 0.000 0.551 400 L N 1.000 122.187 121.223 -0.061 0.000 2.201 400 L HA 0.152 4.492 4.340 0.000 0.000 0.212 400 L C 0.853 177.699 176.870 -0.040 0.000 1.105 400 L CA 0.875 55.693 54.840 -0.036 0.000 0.775 400 L CB -0.275 41.776 42.059 -0.013 0.000 0.913 400 L HN 0.320 nan 8.230 nan 0.000 0.440 401 N N -1.409 117.253 118.700 -0.064 0.000 2.284 401 N HA 0.212 4.952 4.740 0.000 0.000 0.300 401 N C -0.124 175.330 175.510 -0.094 0.000 1.047 401 N CA -0.142 52.885 53.050 -0.039 0.000 0.821 401 N CB 2.144 40.671 38.487 0.067 0.000 1.337 401 N HN -0.221 nan 8.380 nan 0.000 0.482 402 S N 0.090 115.765 115.700 -0.042 0.000 2.603 402 S HA 0.248 4.718 4.470 0.000 0.000 0.232 402 S C 1.253 175.897 174.600 0.074 0.000 1.016 402 S CA 0.049 58.231 58.200 -0.029 0.000 0.976 402 S CB 0.518 63.648 63.200 -0.117 0.000 0.921 402 S HN 0.938 nan 8.310 nan 0.000 0.516 403 G N 2.490 111.333 108.800 0.072 0.000 2.629 403 G HA2 -0.347 3.613 3.960 0.000 0.000 0.313 403 G HA3 -0.347 3.613 3.960 0.000 0.000 0.313 403 G C 0.249 175.056 174.900 -0.155 0.000 1.217 403 G CA 0.818 45.930 45.100 0.019 0.000 0.994 403 G HN 0.468 nan 8.290 nan 0.000 0.549 404 F N 1.297 121.337 119.950 0.150 0.000 2.664 404 F HA 0.460 4.988 4.527 0.000 0.000 0.301 404 F C 2.415 178.251 175.800 0.060 0.000 1.126 404 F CA 0.918 58.980 58.000 0.104 0.000 1.373 404 F CB 0.128 39.204 39.000 0.127 0.000 1.042 404 F HN 0.322 nan 8.300 nan 0.000 0.535 405 M N 0.071 119.683 119.600 0.021 0.000 2.149 405 M HA -0.139 4.341 4.480 0.000 0.000 0.261 405 M C 2.329 178.499 176.300 -0.215 0.000 1.064 405 M CA 2.222 57.263 55.300 -0.430 0.000 1.102 405 M CB -0.402 31.676 32.600 -0.869 0.000 1.369 405 M HN 0.307 nan 8.290 nan 0.000 0.408 406 G N -0.963 107.770 108.800 -0.112 0.000 2.396 406 G HA2 -0.051 3.909 3.960 0.000 0.000 0.214 406 G HA3 -0.051 3.909 3.960 0.000 0.000 0.214 406 G C 1.475 176.378 174.900 0.005 0.000 1.166 406 G CA 0.635 45.696 45.100 -0.064 0.000 0.793 406 G HN 0.603 nan 8.290 nan 0.000 0.533 407 A N 0.024 122.883 122.820 0.065 0.000 1.972 407 A HA -0.086 4.234 4.320 0.000 0.000 0.219 407 A C 2.255 179.909 177.584 0.117 0.000 1.169 407 A CA 1.997 54.105 52.037 0.117 0.000 0.635 407 A CB -0.392 18.751 19.000 0.239 0.000 0.810 407 A HN 0.386 nan 8.150 nan 0.000 0.446 408 Q N 0.085 119.968 119.800 0.139 0.000 2.050 408 Q HA -0.125 4.215 4.340 0.000 0.000 0.202 408 Q C 2.104 178.155 176.000 0.085 0.000 0.980 408 Q CA 2.086 57.970 55.803 0.135 0.000 0.840 408 Q CB -0.305 28.561 28.738 0.213 0.000 0.898 408 Q HN 0.427 nan 8.270 nan 0.000 0.424 409 V N 0.638 120.582 119.914 0.050 0.000 2.427 409 V HA -0.218 3.902 4.120 0.000 0.000 0.248 409 V C 2.374 178.487 176.094 0.031 0.000 1.051 409 V CA 2.055 64.373 62.300 0.030 0.000 1.048 409 V CB -0.859 30.963 31.823 -0.002 0.000 0.666 409 V HN 0.393 nan 8.190 nan 0.000 0.456 410 T N 0.390 114.963 114.554 0.032 0.000 2.788 410 T HA -0.174 4.176 4.350 0.000 0.000 0.268 410 T C 2.063 176.787 174.700 0.039 0.000 1.044 410 T CA 1.602 63.721 62.100 0.031 0.000 1.139 410 T CB -0.377 68.510 68.868 0.031 0.000 0.867 410 T HN 0.583 nan 8.240 nan 0.000 0.454 411 A N 1.233 124.083 122.820 0.050 0.000 1.902 411 A HA -0.131 4.189 4.320 0.000 0.000 0.217 411 A C 2.559 180.173 177.584 0.050 0.000 1.181 411 A CA 2.101 54.170 52.037 0.054 0.000 0.623 411 A CB -1.226 17.811 19.000 0.061 0.000 0.818 411 A HN 0.473 nan 8.150 nan 0.000 0.443 412 T N 0.307 114.889 114.554 0.048 0.000 2.746 412 T HA -0.019 4.331 4.350 0.000 0.000 0.267 412 T C 2.202 176.922 174.700 0.032 0.000 1.039 412 T CA 1.551 63.675 62.100 0.040 0.000 1.142 412 T CB -0.435 68.457 68.868 0.040 0.000 0.866 412 T HN 0.599 nan 8.240 nan 0.000 0.444 413 A N 1.201 124.039 122.820 0.029 0.000 1.933 413 A HA 0.030 4.350 4.320 0.000 0.000 0.218 413 A C 2.295 179.894 177.584 0.026 0.000 1.175 413 A CA 1.121 53.172 52.037 0.024 0.000 0.628 413 A CB -0.796 18.216 19.000 0.020 0.000 0.814 413 A HN 0.477 nan 8.150 nan 0.000 0.444 414 L N -1.157 120.085 121.223 0.033 0.000 2.046 414 L HA -0.159 4.181 4.340 0.000 0.000 0.208 414 L C 2.563 179.456 176.870 0.038 0.000 1.077 414 L CA 1.156 56.019 54.840 0.038 0.000 0.747 414 L CB -0.538 41.549 42.059 0.048 0.000 0.896 414 L HN 0.473 nan 8.230 nan 0.000 0.432 415 L N 0.275 121.520 121.223 0.037 0.000 2.027 415 L HA -0.117 4.224 4.340 0.000 0.000 0.206 415 L C 2.679 179.559 176.870 0.016 0.000 1.074 415 L CA 1.988 56.843 54.840 0.026 0.000 0.745 415 L CB -0.745 41.329 42.059 0.025 0.000 0.898 415 L HN 0.131 nan 8.230 nan 0.000 0.433 416 A N -0.736 122.095 122.820 0.018 0.000 1.917 416 A HA -0.322 3.998 4.320 0.000 0.000 0.219 416 A C 2.342 179.934 177.584 0.013 0.000 1.182 416 A CA 2.100 54.145 52.037 0.014 0.000 0.633 416 A CB -0.850 18.159 19.000 0.015 0.000 0.819 416 A HN 0.652 nan 8.150 nan 0.000 0.448 417 E N -0.724 119.486 120.200 0.017 0.000 2.110 417 E HA -0.185 4.165 4.350 0.000 0.000 0.193 417 E C 2.066 178.676 176.600 0.017 0.000 0.988 417 E CA 1.329 57.739 56.400 0.017 0.000 0.804 417 E CB -0.204 29.508 29.700 0.020 0.000 0.745 417 E HN 0.692 nan 8.360 nan 0.000 0.458 418 M N -0.029 119.582 119.600 0.018 0.000 2.108 418 M HA -0.177 4.303 4.480 0.000 0.000 0.261 418 M C 2.333 178.637 176.300 0.006 0.000 1.066 418 M CA 1.550 56.858 55.300 0.014 0.000 1.107 418 M CB -0.250 32.354 32.600 0.008 0.000 1.356 418 M HN 0.017 nan 8.290 nan 0.000 0.406 419 R N 0.210 120.712 120.500 0.003 0.000 2.193 419 R HA -0.053 4.287 4.340 0.000 0.000 0.229 419 R C 2.193 178.498 176.300 0.008 0.000 1.110 419 R CA 1.181 57.281 56.100 0.001 0.000 0.988 419 R CB -0.469 29.831 30.300 -0.001 0.000 0.871 419 R HN 0.386 nan 8.270 nan 0.000 0.458 420 A N 0.498 123.324 122.820 0.011 0.000 2.119 420 A HA -0.025 4.296 4.320 0.000 0.000 0.217 420 A C 0.709 178.304 177.584 0.018 0.000 1.153 420 A CA 0.859 52.904 52.037 0.013 0.000 0.692 420 A CB 0.116 19.123 19.000 0.012 0.000 0.799 420 A HN 0.100 nan 8.150 nan 0.000 0.458 421 T N 0.126 114.692 114.554 0.020 0.000 2.771 421 T HA 0.555 4.905 4.350 0.000 0.000 0.281 421 T C 0.429 175.152 174.700 0.037 0.000 0.982 421 T CA 0.050 62.167 62.100 0.029 0.000 0.978 421 T CB 1.531 70.415 68.868 0.027 0.000 0.930 421 T HN 0.360 nan 8.240 nan 0.000 0.447 422 G N 3.009 111.845 108.800 0.059 0.000 2.795 422 G HA2 0.674 4.635 3.960 0.000 0.000 0.267 422 G HA3 0.674 4.635 3.960 0.000 0.000 0.267 422 G C -2.650 172.298 174.900 0.080 0.000 1.362 422 G CA -1.676 43.462 45.100 0.063 0.000 1.048 422 G HN 0.433 nan 8.290 nan 0.000 0.547 423 P HA 0.228 nan 4.420 nan 0.000 0.265 423 P C 0.354 177.716 177.300 0.104 0.000 1.187 423 P CA 0.447 63.581 63.100 0.058 0.000 0.766 423 P CB 1.253 32.963 31.700 0.017 0.000 0.820 424 A N 2.160 125.045 122.820 0.107 0.000 1.984 424 A HA -0.045 4.275 4.320 0.000 0.000 0.214 424 A C 2.090 179.748 177.584 0.123 0.000 1.173 424 A CA 1.051 53.191 52.037 0.172 0.000 0.673 424 A CB -1.007 18.063 19.000 0.116 0.000 0.830 424 A HN 0.475 nan 8.150 nan 0.000 0.453 425 S N 0.568 116.293 115.700 0.043 0.000 2.402 425 S HA -0.193 4.277 4.470 0.000 0.000 0.233 425 S C 1.674 176.241 174.600 -0.056 0.000 1.030 425 S CA 1.622 59.826 58.200 0.007 0.000 1.003 425 S CB -0.696 62.508 63.200 0.006 0.000 0.813 425 S HN 0.796 nan 8.310 nan 0.000 0.477 426 I N -1.376 119.086 120.570 -0.181 0.000 3.444 426 I HA 0.069 4.239 4.170 0.000 0.000 0.287 426 I C 0.627 176.524 176.117 -0.366 0.000 1.302 426 I CA 0.911 62.041 61.300 -0.282 0.000 1.368 426 I CB -0.320 37.467 38.000 -0.355 0.000 1.048 426 I HN 0.156 nan 8.210 nan 0.000 0.487 427 H N 1.170 120.251 119.070 0.019 0.000 2.550 427 H HA 0.316 4.872 4.556 0.000 0.000 0.304 427 H C 0.595 175.935 175.328 0.020 0.000 1.086 427 H CA -0.252 55.807 56.048 0.018 0.000 1.089 427 H CB 0.110 29.883 29.762 0.018 0.000 1.528 427 H HN 0.305 nan 8.280 nan 0.000 0.539 428 S N 1.269 117.013 115.700 0.075 0.000 2.552 428 S HA 0.186 4.656 4.470 0.000 0.000 0.289 428 S C 0.286 174.925 174.600 0.064 0.000 1.304 428 S CA -0.202 58.036 58.200 0.064 0.000 1.063 428 S CB -0.016 63.206 63.200 0.038 0.000 0.848 428 S HN 0.305 nan 8.310 nan 0.000 0.499 429 I N 3.466 124.073 120.570 0.061 0.000 2.499 429 I HA 0.213 4.383 4.170 0.000 0.000 0.288 429 I C 0.073 176.217 176.117 0.044 0.000 1.048 429 I CA -0.619 60.711 61.300 0.051 0.000 1.062 429 I CB 2.106 40.137 38.000 0.051 0.000 1.238 429 I HN 0.571 nan 8.210 nan 0.000 0.426 430 S N 4.040 119.763 115.700 0.038 0.000 2.525 430 S HA 0.242 4.712 4.470 0.000 0.000 0.285 430 S C -0.165 174.456 174.600 0.035 0.000 1.283 430 S CA 0.432 58.654 58.200 0.036 0.000 1.072 430 S CB 0.244 63.463 63.200 0.031 0.000 0.867 430 S HN 0.776 nan 8.310 nan 0.000 0.492 431 T N 3.055 117.632 114.554 0.038 0.000 2.654 431 T HA 0.410 4.760 4.350 0.000 0.000 0.289 431 T C -0.265 174.457 174.700 0.037 0.000 1.062 431 T CA -0.100 62.022 62.100 0.036 0.000 1.041 431 T CB 0.740 69.629 68.868 0.036 0.000 1.417 431 T HN 0.898 nan 8.240 nan 0.000 0.510 432 N N 0.531 119.252 118.700 0.036 0.000 2.725 432 N HA -0.230 4.510 4.740 0.000 0.000 0.251 432 N C 0.274 175.805 175.510 0.036 0.000 1.031 432 N CA 0.783 53.856 53.050 0.039 0.000 0.720 432 N CB -1.196 37.317 38.487 0.044 0.000 0.930 432 N HN 1.550 nan 8.380 nan 0.000 0.543 433 A N -0.711 122.127 122.820 0.030 0.000 2.791 433 A HA 0.014 4.334 4.320 0.000 0.000 0.292 433 A C 1.337 178.938 177.584 0.029 0.000 1.487 433 A CA 1.988 54.041 52.037 0.027 0.000 0.760 433 A CB -2.277 16.739 19.000 0.026 0.000 1.031 433 A HN 2.239 nan 8.150 nan 0.000 0.503 434 A N -2.233 120.605 122.820 0.030 0.000 3.413 434 A HA -0.370 3.950 4.320 0.000 0.000 0.268 434 A C 1.410 179.015 177.584 0.035 0.000 1.128 434 A CA 2.133 54.189 52.037 0.031 0.000 1.062 434 A CB -2.510 16.505 19.000 0.026 0.000 1.121 434 A HN 2.251 nan 8.150 nan 0.000 0.895 435 N N -0.092 118.632 118.700 0.040 0.000 2.216 435 N HA -0.082 4.658 4.740 0.000 0.000 0.183 435 N C 0.990 176.532 175.510 0.054 0.000 1.017 435 N CA 1.802 54.880 53.050 0.046 0.000 0.861 435 N CB -0.145 38.374 38.487 0.052 0.000 0.986 435 N HN 0.745 nan 8.380 nan 0.000 0.428 436 Q N 0.554 120.386 119.800 0.053 0.000 3.091 436 Q HA 0.067 4.407 4.340 0.000 0.000 0.301 436 Q C -0.433 175.600 176.000 0.055 0.000 1.337 436 Q CA -0.288 55.553 55.803 0.064 0.000 1.083 436 Q CB 0.560 29.332 28.738 0.057 0.000 1.477 436 Q HN 0.505 nan 8.270 nan 0.000 0.537 437 D N -0.467 119.963 120.400 0.049 0.000 2.371 437 D HA -0.076 4.564 4.640 0.000 0.000 0.221 437 D C 0.626 176.950 176.300 0.040 0.000 0.986 437 D CA 0.399 54.423 54.000 0.040 0.000 0.899 437 D CB 0.101 40.920 40.800 0.033 0.000 0.902 437 D HN 0.199 nan 8.370 nan 0.000 0.530 438 V N -1.918 118.025 119.914 0.048 0.000 2.808 438 V HA 0.747 4.867 4.120 0.000 0.000 0.308 438 V C -0.445 175.686 176.094 0.062 0.000 1.099 438 V CA -1.172 61.156 62.300 0.046 0.000 0.920 438 V CB 1.860 33.703 31.823 0.035 0.000 1.014 438 V HN 0.103 nan 8.190 nan 0.000 0.425 439 V N 0.998 120.948 119.914 0.060 0.000 2.962 439 V HA 0.791 4.911 4.120 0.000 0.000 0.313 439 V C 1.035 177.167 176.094 0.063 0.000 1.099 439 V CA 0.263 62.606 62.300 0.072 0.000 0.971 439 V CB 1.455 33.319 31.823 0.067 0.000 1.028 439 V HN 1.338 nan 8.190 nan 0.000 0.430 440 S N 2.187 117.929 115.700 0.070 0.000 2.425 440 S HA 0.111 4.581 4.470 0.000 0.000 0.225 440 S C 1.150 175.783 174.600 0.055 0.000 1.024 440 S CA 1.066 59.300 58.200 0.056 0.000 0.951 440 S CB -0.834 62.403 63.200 0.061 0.000 0.796 440 S HN 1.386 nan 8.310 nan 0.000 0.498 441 L N 0.395 121.655 121.223 0.061 0.000 4.040 441 L HA -0.199 4.141 4.340 0.000 0.000 0.410 441 L C 1.518 178.421 176.870 0.056 0.000 1.187 441 L CA 0.039 54.915 54.840 0.061 0.000 0.956 441 L CB -2.244 39.860 42.059 0.075 0.000 2.022 441 L HN 0.534 nan 8.230 nan 0.000 0.897 442 G N -0.475 108.356 108.800 0.052 0.000 2.432 442 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 442 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 442 G C 1.271 176.198 174.900 0.045 0.000 1.135 442 G CA 1.392 46.520 45.100 0.047 0.000 0.767 442 G HN 0.463 nan 8.290 nan 0.000 0.550 443 T N 1.298 115.878 114.554 0.043 0.000 2.777 443 T HA -0.014 4.336 4.350 0.000 0.000 0.266 443 T C 2.379 177.103 174.700 0.041 0.000 1.040 443 T CA 0.900 63.022 62.100 0.038 0.000 1.141 443 T CB -0.108 68.778 68.868 0.031 0.000 0.868 443 T HN 0.268 nan 8.240 nan 0.000 0.444 444 I N 1.594 122.191 120.570 0.044 0.000 2.226 444 I HA -0.151 4.019 4.170 0.000 0.000 0.245 444 I C 2.986 179.135 176.117 0.053 0.000 1.100 444 I CA 1.080 62.407 61.300 0.045 0.000 1.374 444 I CB -0.510 37.519 38.000 0.049 0.000 1.057 444 I HN 0.200 nan 8.210 nan 0.000 0.413 445 A N 0.767 123.622 122.820 0.059 0.000 1.902 445 A HA -0.184 4.136 4.320 0.000 0.000 0.217 445 A C 2.534 180.156 177.584 0.063 0.000 1.181 445 A CA 1.972 54.046 52.037 0.063 0.000 0.623 445 A CB -0.861 18.176 19.000 0.061 0.000 0.818 445 A HN 0.435 nan 8.150 nan 0.000 0.443 446 A N -0.448 122.410 122.820 0.063 0.000 1.930 446 A HA -0.124 4.197 4.320 0.000 0.000 0.217 446 A C 2.247 179.870 177.584 0.065 0.000 1.175 446 A CA 1.450 53.531 52.037 0.073 0.000 0.627 446 A CB -0.417 18.625 19.000 0.070 0.000 0.815 446 A HN 0.544 nan 8.150 nan 0.000 0.443 447 R N -0.533 119.999 120.500 0.054 0.000 2.092 447 R HA 0.025 4.365 4.340 0.000 0.000 0.231 447 R C 1.990 178.319 176.300 0.049 0.000 1.119 447 R CA 1.280 57.409 56.100 0.049 0.000 0.970 447 R CB -0.439 29.884 30.300 0.038 0.000 0.864 447 R HN 0.493 nan 8.270 nan 0.000 0.440 448 L N -0.227 121.025 121.223 0.048 0.000 2.093 448 L HA -0.224 4.116 4.340 0.000 0.000 0.208 448 L C 2.741 179.640 176.870 0.048 0.000 1.085 448 L CA 0.784 55.652 54.840 0.046 0.000 0.755 448 L CB -0.508 41.579 42.059 0.048 0.000 0.904 448 L HN 0.387 nan 8.230 nan 0.000 0.435 449 C N 0.283 119.614 119.300 0.052 0.000 2.446 449 C HA -0.150 4.310 4.460 0.000 0.000 0.277 449 C C 3.090 178.117 174.990 0.062 0.000 1.275 449 C CA 0.820 59.867 59.018 0.048 0.000 1.727 449 C CB -0.520 27.248 27.740 0.046 0.000 2.010 449 C HN 0.492 nan 8.230 nan 0.000 0.486 450 R N 1.320 121.860 120.500 0.068 0.000 2.083 450 R HA -0.090 4.250 4.340 0.000 0.000 0.237 450 R C 2.125 178.472 176.300 0.078 0.000 1.137 450 R CA 2.077 58.224 56.100 0.078 0.000 0.951 450 R CB -0.856 29.489 30.300 0.074 0.000 0.851 450 R HN 0.520 nan 8.270 nan 0.000 0.434 451 E N 0.799 121.038 120.200 0.065 0.000 2.097 451 E HA -0.206 4.144 4.350 0.000 0.000 0.196 451 E C 1.884 178.527 176.600 0.071 0.000 1.000 451 E CA 1.537 57.973 56.400 0.060 0.000 0.804 451 E CB -0.145 29.583 29.700 0.047 0.000 0.740 451 E HN 0.439 nan 8.360 nan 0.000 0.454 452 K N 0.208 120.650 120.400 0.070 0.000 2.097 452 K HA -0.020 4.300 4.320 0.000 0.000 0.205 452 K C 2.315 179.000 176.600 0.142 0.000 1.050 452 K CA 0.748 57.081 56.287 0.076 0.000 0.938 452 K CB -0.120 32.403 32.500 0.038 0.000 0.718 452 K HN 0.097 nan 8.250 nan 0.000 0.442 453 I N 1.452 122.119 120.570 0.161 0.000 2.286 453 I HA -0.280 3.890 4.170 0.000 0.000 0.248 453 I C 1.532 177.773 176.117 0.207 0.000 1.115 453 I CA 1.158 62.611 61.300 0.256 0.000 1.392 453 I CB -0.225 37.894 38.000 0.198 0.000 1.065 453 I HN 0.146 nan 8.210 nan 0.000 0.418 454 D N 0.520 120.998 120.400 0.131 0.000 2.144 454 D HA -0.119 4.521 4.640 0.000 0.000 0.200 454 D C 2.336 178.691 176.300 0.092 0.000 0.978 454 D CA 0.872 54.925 54.000 0.088 0.000 0.833 454 D CB -0.184 40.656 40.800 0.067 0.000 0.961 454 D HN 0.174 nan 8.370 nan 0.000 0.470 455 R N -0.071 120.499 120.500 0.117 0.000 2.075 455 R HA -0.112 4.228 4.340 0.000 0.000 0.232 455 R C 2.134 178.544 176.300 0.183 0.000 1.126 455 R CA 0.479 56.647 56.100 0.114 0.000 0.963 455 R CB -1.053 29.305 30.300 0.096 0.000 0.858 455 R HN 0.338 nan 8.270 nan 0.000 0.435 456 W N 1.943 123.244 121.300 0.003 0.000 2.338 456 W HA -0.123 4.537 4.660 0.000 0.000 0.304 456 W C 2.141 178.653 176.519 -0.012 0.000 1.212 456 W CA 1.524 58.871 57.345 0.004 0.000 1.264 456 W CB -0.700 28.769 29.460 0.015 0.000 1.142 456 W HN 0.145 nan 8.180 nan 0.000 0.512 457 A N 0.191 123.024 122.820 0.021 0.000 1.908 457 A HA -0.247 4.073 4.320 0.000 0.000 0.218 457 A C 1.869 179.373 177.584 -0.133 0.000 1.181 457 A CA 2.077 54.008 52.037 -0.177 0.000 0.627 457 A CB -0.818 18.103 19.000 -0.132 0.000 0.818 457 A HN 0.475 nan 8.150 nan 0.000 0.445 458 E N -0.438 119.741 120.200 -0.035 0.000 2.106 458 E HA -0.087 4.263 4.350 0.000 0.000 0.192 458 E C 1.843 178.432 176.600 -0.019 0.000 0.984 458 E CA 1.084 57.464 56.400 -0.033 0.000 0.806 458 E CB -0.237 29.465 29.700 0.005 0.000 0.750 458 E HN 0.702 nan 8.360 nan 0.000 0.458 459 I N 0.809 121.405 120.570 0.043 0.000 2.252 459 I HA -0.262 3.908 4.170 0.000 0.000 0.245 459 I C 2.206 178.342 176.117 0.031 0.000 1.102 459 I CA 0.927 62.269 61.300 0.071 0.000 1.385 459 I CB -0.118 37.976 38.000 0.158 0.000 1.064 459 I HN 0.113 nan 8.210 nan 0.000 0.414 460 L N 0.409 121.623 121.223 -0.016 0.000 2.131 460 L HA -0.191 4.149 4.340 0.000 0.000 0.210 460 L C 2.794 179.566 176.870 -0.165 0.000 1.092 460 L CA 1.208 55.993 54.840 -0.092 0.000 0.759 460 L CB -0.600 41.307 42.059 -0.253 0.000 0.903 460 L HN 0.243 nan 8.230 nan 0.000 0.435 461 A N 0.183 122.876 122.820 -0.210 0.000 1.930 461 A HA -0.161 4.159 4.320 0.000 0.000 0.217 461 A C 2.192 179.666 177.584 -0.183 0.000 1.175 461 A CA 1.379 53.258 52.037 -0.263 0.000 0.627 461 A CB -0.574 18.276 19.000 -0.251 0.000 0.815 461 A HN 0.353 nan 8.150 nan 0.000 0.443 462 I N -0.810 119.701 120.570 -0.099 0.000 2.252 462 I HA -0.214 3.956 4.170 0.000 0.000 0.245 462 I C 2.407 178.470 176.117 -0.090 0.000 1.102 462 I CA 1.115 62.385 61.300 -0.050 0.000 1.385 462 I CB -0.241 37.764 38.000 0.009 0.000 1.064 462 I HN 0.395 nan 8.210 nan 0.000 0.414 463 L N 1.201 122.383 121.223 -0.068 0.000 2.083 463 L HA -0.123 4.217 4.340 0.000 0.000 0.209 463 L C 2.528 179.347 176.870 -0.084 0.000 1.083 463 L CA 2.066 56.870 54.840 -0.061 0.000 0.752 463 L CB -0.774 41.288 42.059 0.005 0.000 0.899 463 L HN 0.172 nan 8.230 nan 0.000 0.433 464 A N -0.455 122.313 122.820 -0.087 0.000 1.877 464 A HA -0.156 4.164 4.320 0.000 0.000 0.216 464 A C 2.265 179.786 177.584 -0.105 0.000 1.186 464 A CA 1.965 53.965 52.037 -0.062 0.000 0.620 464 A CB -0.892 18.035 19.000 -0.122 0.000 0.822 464 A HN 0.495 nan 8.150 nan 0.000 0.443 465 L N -0.895 120.230 121.223 -0.163 0.000 2.046 465 L HA -0.243 4.097 4.340 0.000 0.000 0.208 465 L C 2.745 179.432 176.870 -0.306 0.000 1.077 465 L CA 1.247 56.009 54.840 -0.130 0.000 0.747 465 L CB -0.683 41.367 42.059 -0.016 0.000 0.896 465 L HN 0.493 nan 8.230 nan 0.000 0.432 466 C N -0.222 118.751 119.300 -0.546 0.000 2.429 466 C HA -0.144 4.316 4.460 0.000 0.000 0.277 466 C C 2.755 177.522 174.990 -0.372 0.000 1.262 466 C CA 0.494 59.014 59.018 -0.830 0.000 1.733 466 C CB -0.731 26.660 27.740 -0.581 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.483 467 L N 0.831 121.939 121.223 -0.193 0.000 2.083 467 L HA -0.139 4.201 4.340 0.000 0.000 0.209 467 L C 2.839 179.687 176.870 -0.037 0.000 1.083 467 L CA 1.454 56.247 54.840 -0.078 0.000 0.752 467 L CB -0.654 41.395 42.059 -0.016 0.000 0.899 467 L HN 0.347 nan 8.230 nan 0.000 0.433 468 A N -0.375 122.429 122.820 -0.026 0.000 1.902 468 A HA -0.285 4.035 4.320 0.000 0.000 0.217 468 A C 2.201 179.806 177.584 0.034 0.000 1.181 468 A CA 1.895 53.948 52.037 0.028 0.000 0.623 468 A CB -0.485 18.549 19.000 0.058 0.000 0.818 468 A HN 0.421 nan 8.150 nan 0.000 0.443 469 Q N -0.291 119.522 119.800 0.022 0.000 2.046 469 Q HA -0.011 4.329 4.340 0.000 0.000 0.200 469 Q C 2.066 178.085 176.000 0.032 0.000 0.975 469 Q CA 2.084 57.932 55.803 0.075 0.000 0.836 469 Q CB -0.506 28.341 28.738 0.182 0.000 0.896 469 Q HN 0.540 nan 8.270 nan 0.000 0.428 470 A N 0.416 123.223 122.820 -0.021 0.000 1.933 470 A HA -0.077 4.243 4.320 0.000 0.000 0.218 470 A C 2.304 179.889 177.584 0.001 0.000 1.175 470 A CA 1.754 53.781 52.037 -0.016 0.000 0.628 470 A CB -1.202 17.774 19.000 -0.040 0.000 0.814 470 A HN 0.552 nan 8.150 nan 0.000 0.444 471 A N -0.077 122.747 122.820 0.007 0.000 1.902 471 A HA -0.193 4.127 4.320 0.000 0.000 0.217 471 A C 1.919 179.515 177.584 0.020 0.000 1.181 471 A CA 1.721 53.768 52.037 0.017 0.000 0.623 471 A CB -0.501 18.514 19.000 0.026 0.000 0.818 471 A HN 0.658 nan 8.150 nan 0.000 0.443 472 E N -0.344 119.872 120.200 0.026 0.000 2.107 472 E HA -0.046 4.304 4.350 0.000 0.000 0.191 472 E C 1.919 178.531 176.600 0.019 0.000 0.982 472 E CA 0.799 57.215 56.400 0.027 0.000 0.809 472 E CB -0.225 29.498 29.700 0.039 0.000 0.756 472 E HN 0.605 nan 8.360 nan 0.000 0.459 473 L N 0.513 121.746 121.223 0.016 0.000 2.093 473 L HA -0.152 4.188 4.340 0.000 0.000 0.208 473 L C 2.643 179.513 176.870 -0.000 0.000 1.085 473 L CA 0.971 55.812 54.840 0.003 0.000 0.755 473 L CB -0.142 41.915 42.059 -0.004 0.000 0.904 473 L HN 0.014 nan 8.230 nan 0.000 0.435 474 R N -0.405 120.097 120.500 0.002 0.000 2.075 474 R HA -0.047 4.293 4.340 0.000 0.000 0.226 474 R C 1.811 178.114 176.300 0.005 0.000 1.114 474 R CA 1.637 57.738 56.100 0.001 0.000 0.972 474 R CB -0.384 29.917 30.300 0.002 0.000 0.869 474 R HN 0.345 nan 8.270 nan 0.000 0.437 475 C N 0.138 119.443 119.300 0.009 0.000 3.038 475 C HA 0.638 5.098 4.460 0.000 0.000 0.279 475 C C 0.603 175.600 174.990 0.012 0.000 1.276 475 C CA -0.270 58.754 59.018 0.010 0.000 1.697 475 C CB -0.728 27.020 27.740 0.013 0.000 2.032 475 C HN 0.744 nan 8.230 nan 0.000 0.636 476 G N 1.652 110.460 108.800 0.012 0.000 2.758 476 G HA2 -0.145 3.815 3.960 0.000 0.000 0.686 476 G HA3 -0.145 3.815 3.960 0.000 0.000 0.686 476 G C 0.696 175.607 174.900 0.018 0.000 1.389 476 G CA 0.065 45.173 45.100 0.013 0.000 0.845 476 G HN 0.775 nan 8.290 nan 0.000 0.572 477 S N -0.515 115.196 115.700 0.019 0.000 2.440 477 S HA 0.012 4.482 4.470 0.000 0.000 0.238 477 S C 2.387 177.001 174.600 0.022 0.000 1.010 477 S CA 1.952 60.165 58.200 0.023 0.000 0.972 477 S CB -0.218 62.995 63.200 0.022 0.000 0.774 477 S HN 2.182 nan 8.310 nan 0.000 0.501 478 G N 0.789 109.600 108.800 0.018 0.000 2.813 478 G HA2 0.345 4.305 3.960 0.000 0.000 0.209 478 G HA3 0.345 4.305 3.960 0.000 0.000 0.209 478 G C 0.566 175.476 174.900 0.018 0.000 1.150 478 G CA -0.028 45.082 45.100 0.017 0.000 0.785 478 G HN 0.614 nan 8.290 nan 0.000 0.535 479 L N 0.956 122.190 121.223 0.019 0.000 3.660 479 L HA -0.145 4.195 4.340 0.000 0.000 0.440 479 L C -0.864 176.016 176.870 0.016 0.000 1.262 479 L CA -0.106 54.746 54.840 0.019 0.000 0.837 479 L CB -1.752 40.321 42.059 0.023 0.000 1.689 479 L HN 0.219 nan 8.230 nan 0.000 0.890 480 D N 1.377 121.785 120.400 0.013 0.000 2.450 480 D HA 0.274 4.914 4.640 0.000 0.000 0.247 480 D C 1.388 177.694 176.300 0.010 0.000 1.162 480 D CA 1.374 55.380 54.000 0.011 0.000 0.879 480 D CB 1.242 42.048 40.800 0.010 0.000 1.163 480 D HN 0.535 nan 8.370 nan 0.000 0.472 481 G N 1.392 110.198 108.800 0.009 0.000 2.199 481 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 481 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 481 G C 0.456 175.362 174.900 0.010 0.000 0.982 481 G CA 0.137 45.241 45.100 0.008 0.000 0.632 481 G HN 0.519 nan 8.290 nan 0.000 0.529 482 V N 2.523 122.445 119.914 0.014 0.000 2.686 482 V HA 0.499 4.620 4.120 0.000 0.000 0.295 482 V C 1.484 177.588 176.094 0.017 0.000 1.055 482 V CA 0.148 62.458 62.300 0.018 0.000 1.050 482 V CB 1.406 33.242 31.823 0.022 0.000 0.984 482 V HN 1.049 nan 8.190 nan 0.000 0.482 483 S N 4.991 120.704 115.700 0.021 0.000 2.569 483 S HA 0.114 4.584 4.470 0.000 0.000 0.274 483 S C -1.729 172.880 174.600 0.016 0.000 1.353 483 S CA -0.595 57.617 58.200 0.019 0.000 1.023 483 S CB 0.412 63.628 63.200 0.026 0.000 0.876 483 S HN 0.582 nan 8.310 nan 0.000 0.540 484 P HA -0.046 nan 4.420 nan 0.000 0.215 484 P C 1.632 178.936 177.300 0.005 0.000 1.153 484 P CA 1.905 65.010 63.100 0.008 0.000 0.853 484 P CB -0.239 31.463 31.700 0.005 0.000 0.788 485 A N -0.227 122.594 122.820 0.001 0.000 1.877 485 A HA -0.073 4.247 4.320 0.000 0.000 0.216 485 A C 2.490 180.071 177.584 -0.005 0.000 1.186 485 A CA 2.076 54.106 52.037 -0.011 0.000 0.620 485 A CB -1.881 17.108 19.000 -0.019 0.000 0.822 485 A HN 0.270 nan 8.150 nan 0.000 0.443 486 G N -0.391 108.415 108.800 0.010 0.000 2.418 486 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 486 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 486 G C 1.678 176.595 174.900 0.028 0.000 1.158 486 G CA 1.088 46.201 45.100 0.022 0.000 0.771 486 G HN 0.567 nan 8.290 nan 0.000 0.545 487 K N 0.194 120.608 120.400 0.024 0.000 2.026 487 K HA -0.071 4.249 4.320 0.000 0.000 0.208 487 K C 2.446 179.064 176.600 0.030 0.000 1.048 487 K CA 1.330 57.633 56.287 0.027 0.000 0.929 487 K CB -0.147 32.366 32.500 0.021 0.000 0.713 487 K HN 0.239 nan 8.250 nan 0.000 0.439 488 K N 1.331 121.744 120.400 0.022 0.000 2.057 488 K HA -0.135 4.185 4.320 0.000 0.000 0.207 488 K C 2.165 178.788 176.600 0.039 0.000 1.049 488 K CA 0.975 57.276 56.287 0.023 0.000 0.931 488 K CB -0.084 32.421 32.500 0.008 0.000 0.714 488 K HN 0.098 nan 8.250 nan 0.000 0.440 489 L N 0.593 121.837 121.223 0.034 0.000 2.017 489 L HA -0.177 4.163 4.340 0.000 0.000 0.208 489 L C 2.073 179.011 176.870 0.113 0.000 1.073 489 L CA 1.123 56.004 54.840 0.068 0.000 0.745 489 L CB -0.146 41.937 42.059 0.039 0.000 0.894 489 L HN 0.014 nan 8.230 nan 0.000 0.432 490 V N -0.159 119.808 119.914 0.087 0.000 2.343 490 V HA -0.315 3.805 4.120 0.000 0.000 0.247 490 V C 2.456 178.604 176.094 0.090 0.000 1.051 490 V CA 2.004 64.359 62.300 0.091 0.000 1.036 490 V CB -0.685 31.178 31.823 0.067 0.000 0.654 490 V HN 0.543 nan 8.190 nan 0.000 0.451 491 Q N -0.039 119.803 119.800 0.071 0.000 2.096 491 Q HA -0.195 4.145 4.340 0.000 0.000 0.204 491 Q C 2.438 178.481 176.000 0.071 0.000 0.982 491 Q CA 1.894 57.734 55.803 0.061 0.000 0.850 491 Q CB -0.459 28.305 28.738 0.044 0.000 0.901 491 Q HN 0.677 nan 8.270 nan 0.000 0.422 492 A N 0.759 123.631 122.820 0.086 0.000 1.902 492 A HA -0.155 4.165 4.320 0.000 0.000 0.217 492 A C 2.064 179.723 177.584 0.124 0.000 1.181 492 A CA 1.089 53.184 52.037 0.097 0.000 0.623 492 A CB -0.639 18.435 19.000 0.124 0.000 0.818 492 A HN 0.286 nan 8.150 nan 0.000 0.443 493 L N -1.134 120.193 121.223 0.172 0.000 2.056 493 L HA -0.136 4.204 4.340 0.000 0.000 0.207 493 L C 2.637 179.655 176.870 0.247 0.000 1.078 493 L CA 0.909 55.897 54.840 0.246 0.000 0.749 493 L CB -0.422 41.760 42.059 0.205 0.000 0.901 493 L HN 0.251 nan 8.230 nan 0.000 0.433 494 R N 0.397 120.989 120.500 0.153 0.000 2.293 494 R HA -0.126 4.214 4.340 0.000 0.000 0.219 494 R C 1.826 178.156 176.300 0.050 0.000 1.091 494 R CA 0.723 56.891 56.100 0.112 0.000 1.004 494 R CB -0.359 29.991 30.300 0.083 0.000 0.865 494 R HN 0.540 nan 8.270 nan 0.000 0.469 495 E N -0.082 120.136 120.200 0.029 0.000 2.208 495 E HA -0.132 4.218 4.350 0.000 0.000 0.193 495 E C 1.383 177.919 176.600 -0.107 0.000 0.988 495 E CA 0.750 57.134 56.400 -0.027 0.000 0.828 495 E CB 0.277 29.964 29.700 -0.022 0.000 0.763 495 E HN 0.196 nan 8.360 nan 0.000 0.478 496 Q N -1.252 118.438 119.800 -0.185 0.000 2.288 496 Q HA 0.148 4.488 4.340 0.000 0.000 0.256 496 Q C -0.441 175.111 176.000 -0.747 0.000 0.835 496 Q CA 0.291 55.793 55.803 -0.501 0.000 0.958 496 Q CB 0.937 29.235 28.738 -0.734 0.000 1.125 496 Q HN 0.110 nan 8.270 nan 0.000 0.513 497 F N 2.080 122.024 119.950 -0.010 0.000 2.434 497 F HA 0.431 4.958 4.527 0.000 0.000 0.355 497 F C -2.154 173.661 175.800 0.025 0.000 1.115 497 F CA -2.540 55.465 58.000 0.009 0.000 1.010 497 F CB 1.419 40.428 39.000 0.016 0.000 1.234 497 F HN -0.200 nan 8.300 nan 0.000 0.439 498 P HA 0.138 nan 4.420 nan 0.000 0.272 498 P C -2.349 175.025 177.300 0.123 0.000 1.230 498 P CA -0.980 62.177 63.100 0.094 0.000 0.788 498 P CB 0.001 31.729 31.700 0.048 0.000 0.949 499 P HA 0.020 nan 4.420 nan 0.000 0.270 499 P C -0.672 176.683 177.300 0.091 0.000 1.223 499 P CA -0.047 63.119 63.100 0.111 0.000 0.785 499 P CB 0.462 32.211 31.700 0.082 0.000 0.923 500 L N 2.151 123.435 121.223 0.102 0.000 2.352 500 L HA 0.165 4.505 4.340 0.000 0.000 0.272 500 L C 1.295 178.180 176.870 0.025 0.000 1.109 500 L CA 0.381 55.233 54.840 0.019 0.000 0.952 500 L CB -0.630 41.369 42.059 -0.101 0.000 1.314 500 L HN 0.310 nan 8.230 nan 0.000 0.427 501 E N 1.059 121.272 120.200 0.022 0.000 2.216 501 E HA 0.008 4.358 4.350 0.000 0.000 0.192 501 E C 0.201 176.814 176.600 0.022 0.000 0.988 501 E CA 0.597 57.011 56.400 0.024 0.000 0.834 501 E CB 0.388 30.101 29.700 0.022 0.000 0.772 501 E HN 0.585 nan 8.360 nan 0.000 0.479 502 T N 0.133 114.690 114.554 0.006 0.000 2.894 502 T HA 0.119 4.469 4.350 0.000 0.000 0.309 502 T C -1.742 172.941 174.700 -0.029 0.000 1.208 502 T CA -1.011 61.092 62.100 0.005 0.000 1.016 502 T CB 1.360 70.232 68.868 0.006 0.000 1.192 502 T HN -0.228 nan 8.240 nan 0.000 0.491 503 D N 2.782 123.162 120.400 -0.034 0.000 2.525 503 D HA 0.307 4.948 4.640 0.000 0.000 0.235 503 D C 0.604 176.864 176.300 -0.066 0.000 1.137 503 D CA 0.763 54.720 54.000 -0.071 0.000 0.868 503 D CB 0.336 41.100 40.800 -0.061 0.000 1.180 503 D HN 0.689 nan 8.370 nan 0.000 0.465 504 R N 0.454 120.902 120.500 -0.087 0.000 2.734 504 R HA 0.635 4.975 4.340 0.000 0.000 0.271 504 R C -3.121 173.141 176.300 -0.063 0.000 1.021 504 R CA -1.698 54.366 56.100 -0.060 0.000 0.893 504 R CB 0.286 30.560 30.300 -0.043 0.000 1.244 504 R HN 0.012 nan 8.270 nan 0.000 0.464 505 P HA 0.143 nan 4.420 nan 0.000 0.267 505 P C -0.314 176.975 177.300 -0.019 0.000 1.205 505 P CA -0.258 62.824 63.100 -0.029 0.000 0.765 505 P CB 0.611 32.302 31.700 -0.015 0.000 0.828 506 L N 1.600 122.813 121.223 -0.017 0.000 2.701 506 L HA 0.176 4.516 4.340 0.000 0.000 0.238 506 L C 2.308 179.195 176.870 0.028 0.000 1.106 506 L CA 0.408 55.254 54.840 0.009 0.000 0.898 506 L CB -0.323 41.735 42.059 -0.001 0.000 1.188 506 L HN 0.538 nan 8.230 nan 0.000 0.508 507 G N 0.261 109.071 108.800 0.017 0.000 2.529 507 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 507 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 507 G C 1.392 176.309 174.900 0.029 0.000 1.177 507 G CA 0.784 45.895 45.100 0.019 0.000 0.773 507 G HN 0.386 nan 8.290 nan 0.000 0.573 508 Q N -0.123 119.699 119.800 0.037 0.000 2.124 508 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 508 Q C 2.502 178.556 176.000 0.091 0.000 0.977 508 Q CA 1.276 57.109 55.803 0.050 0.000 0.850 508 Q CB -0.120 28.643 28.738 0.042 0.000 0.901 508 Q HN 0.622 nan 8.270 nan 0.000 0.429 509 E N 0.579 120.852 120.200 0.123 0.000 2.106 509 E HA -0.140 4.211 4.350 0.000 0.000 0.192 509 E C 1.957 178.593 176.600 0.061 0.000 0.984 509 E CA 0.698 57.240 56.400 0.235 0.000 0.806 509 E CB -0.000 29.861 29.700 0.268 0.000 0.750 509 E HN 0.334 nan 8.360 nan 0.000 0.458 510 I N 1.027 121.597 120.570 0.000 0.000 2.179 510 I HA -0.277 3.893 4.170 0.000 0.000 0.242 510 I C 2.533 178.621 176.117 -0.049 0.000 1.088 510 I CA 1.020 62.283 61.300 -0.060 0.000 1.357 510 I CB -0.283 37.706 38.000 -0.018 0.000 1.051 510 I HN 0.091 nan 8.210 nan 0.000 0.409 511 A N 0.663 123.483 122.820 -0.000 0.000 1.902 511 A HA -0.167 4.153 4.320 0.000 0.000 0.217 511 A C 2.529 180.126 177.584 0.023 0.000 1.181 511 A CA 1.886 53.928 52.037 0.007 0.000 0.623 511 A CB -0.859 18.154 19.000 0.021 0.000 0.818 511 A HN 0.438 nan 8.150 nan 0.000 0.443 512 A N -0.591 122.273 122.820 0.073 0.000 1.877 512 A HA -0.028 4.292 4.320 0.000 0.000 0.216 512 A C 2.129 179.795 177.584 0.138 0.000 1.186 512 A CA 1.749 53.865 52.037 0.131 0.000 0.620 512 A CB -0.620 18.515 19.000 0.225 0.000 0.822 512 A HN 0.670 nan 8.150 nan 0.000 0.443 513 L N -0.243 121.010 121.223 0.051 0.000 2.093 513 L HA -0.010 4.330 4.340 0.000 0.000 0.208 513 L C 2.653 179.434 176.870 -0.148 0.000 1.085 513 L CA 2.018 56.785 54.840 -0.121 0.000 0.755 513 L CB -0.868 40.853 42.059 -0.564 0.000 0.904 513 L HN 0.350 nan 8.230 nan 0.000 0.435 514 A N -1.483 121.251 122.820 -0.143 0.000 1.908 514 A HA -0.238 4.082 4.320 0.000 0.000 0.218 514 A C 2.271 179.789 177.584 -0.110 0.000 1.181 514 A CA 2.398 54.341 52.037 -0.156 0.000 0.627 514 A CB -1.263 17.679 19.000 -0.096 0.000 0.818 514 A HN 0.499 nan 8.150 nan 0.000 0.445 515 T N -1.394 113.140 114.554 -0.033 0.000 2.759 515 T HA -0.185 4.165 4.350 0.000 0.000 0.269 515 T C 1.858 176.560 174.700 0.003 0.000 1.042 515 T CA 1.971 64.072 62.100 0.001 0.000 1.140 515 T CB -0.397 68.492 68.868 0.036 0.000 0.864 515 T HN 0.808 nan 8.240 nan 0.000 0.455 516 H N 1.048 120.069 119.070 -0.081 0.000 2.357 516 H HA 0.127 4.683 4.556 0.000 0.000 0.301 516 H C 1.996 177.231 175.328 -0.155 0.000 1.082 516 H CA 1.165 57.166 56.048 -0.078 0.000 1.342 516 H CB -0.484 29.257 29.762 -0.035 0.000 1.389 516 H HN 0.251 nan 8.280 nan 0.000 0.511 517 L N -0.074 120.907 121.223 -0.403 0.000 2.083 517 L HA -0.163 4.177 4.340 0.000 0.000 0.209 517 L C 2.331 179.010 176.870 -0.320 0.000 1.083 517 L CA 0.990 55.445 54.840 -0.642 0.000 0.752 517 L CB -0.511 40.998 42.059 -0.917 0.000 0.899 517 L HN 0.317 nan 8.230 nan 0.000 0.433 518 L N -0.640 120.451 121.223 -0.219 0.000 2.362 518 L HA -0.176 4.164 4.340 0.000 0.000 0.219 518 L C 2.185 179.016 176.870 -0.066 0.000 1.134 518 L CA 1.072 55.858 54.840 -0.089 0.000 0.807 518 L CB -0.205 41.837 42.059 -0.027 0.000 0.927 518 L HN 0.409 nan 8.230 nan 0.000 0.447 519 Q N -1.665 118.005 119.800 -0.218 0.000 2.245 519 Q HA 0.204 4.544 4.340 0.000 0.000 0.236 519 Q C -0.039 175.538 176.000 -0.706 0.000 0.842 519 Q CA 0.038 55.683 55.803 -0.262 0.000 0.945 519 Q CB 1.059 29.759 28.738 -0.062 0.000 1.122 519 Q HN 0.445 nan 8.270 nan 0.000 0.506 520 Q N -0.053 119.284 119.800 -0.772 0.000 2.416 520 Q HA 0.495 4.835 4.340 0.000 0.000 0.281 520 Q C -1.249 174.632 176.000 -0.198 0.000 1.067 520 Q CA -0.472 54.966 55.803 -0.607 0.000 0.809 520 Q CB 2.677 31.196 28.738 -0.364 0.000 1.418 520 Q HN -0.066 nan 8.270 nan 0.000 0.411 521 S N 1.884 117.551 115.700 -0.054 0.000 2.638 521 S HA 0.570 5.040 4.470 0.000 0.000 0.298 521 S C -2.456 171.945 174.600 -0.331 0.000 1.111 521 S CA -1.215 56.905 58.200 -0.134 0.000 1.027 521 S CB 1.108 64.274 63.200 -0.057 0.000 1.064 521 S HN 0.420 nan 8.310 nan 0.000 0.525 522 P HA 0.264 nan 4.420 nan 0.000 0.277 522 P C -0.655 176.448 177.300 -0.327 0.000 1.354 522 P CA -0.134 62.572 63.100 -0.656 0.000 0.891 522 P CB 0.056 31.069 31.700 -1.145 0.000 1.058 523 V N 0.000 119.818 119.914 -0.161 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.099 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.073 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556