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 1p48_1_A DATA FIRST_RESID 1 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGAST GVHEALEMRD DATA SEQUENCE GDKSKWMGKG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALQEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD QGGVAPNIQT AEEALDLIVD AIKAAGHDGK VKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNPNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD DLTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKL 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.617 177.584 0.055 0.000 1.274 1 A CA 0.000 52.052 52.037 0.025 0.000 0.836 1 A CB 0.000 19.008 19.000 0.013 0.000 0.831 2 V N 2.981 122.943 119.914 0.080 0.000 2.405 2 V HA 0.338 4.458 4.120 0.001 0.000 0.264 2 V C 1.483 177.636 176.094 0.097 0.000 1.048 2 V CA 0.847 63.219 62.300 0.120 0.000 0.966 2 V CB 0.625 32.584 31.823 0.226 0.000 1.015 2 V HN 1.308 nan 8.190 nan 0.000 0.477 3 S N 3.295 119.041 115.700 0.078 0.000 2.503 3 S HA 0.216 4.686 4.470 0.001 0.000 0.217 3 S C 0.465 175.101 174.600 0.059 0.000 0.999 3 S CA -0.053 58.182 58.200 0.058 0.000 0.914 3 S CB 0.242 63.466 63.200 0.040 0.000 0.782 3 S HN 0.693 nan 8.310 nan 0.000 0.520 4 K N 0.053 120.493 120.400 0.066 0.000 2.578 4 K HA 0.555 4.876 4.320 0.001 0.000 0.269 4 K C -2.343 174.289 176.600 0.055 0.000 0.941 4 K CA -0.636 55.688 56.287 0.061 0.000 0.847 4 K CB 2.287 34.811 32.500 0.039 0.000 1.397 4 K HN 0.019 nan 8.250 nan 0.000 0.422 5 V N 3.819 123.769 119.914 0.059 0.000 2.525 5 V HA 0.473 4.594 4.120 0.001 0.000 0.299 5 V C -1.557 174.604 176.094 0.111 0.000 1.034 5 V CA -0.749 61.562 62.300 0.017 0.000 0.863 5 V CB 1.381 33.160 31.823 -0.075 0.000 0.999 5 V HN 0.748 nan 8.190 nan 0.000 0.423 6 Y N 3.461 123.733 120.300 -0.045 0.000 2.492 6 Y HA 0.826 5.377 4.550 0.002 0.000 0.346 6 Y C -0.331 175.545 175.900 -0.040 0.000 0.997 6 Y CA -0.561 57.520 58.100 -0.033 0.000 1.025 6 Y CB 2.103 40.550 38.460 -0.022 0.000 1.263 6 Y HN 0.779 nan 8.280 nan 0.000 0.454 7 A N 6.105 128.508 122.820 -0.696 0.000 2.435 7 A HA 0.944 5.264 4.320 0.001 0.000 0.304 7 A C -1.320 175.841 177.584 -0.704 0.000 1.064 7 A CA -0.935 50.796 52.037 -0.509 0.000 0.727 7 A CB 1.559 20.381 19.000 -0.297 0.000 1.284 7 A HN 0.892 nan 8.150 nan 0.000 0.415 8 R N 0.089 120.372 120.500 -0.361 0.000 2.817 8 R HA 0.777 5.117 4.340 0.001 0.000 0.268 8 R C -1.120 175.079 176.300 -0.169 0.000 1.027 8 R CA -0.614 55.348 56.100 -0.231 0.000 0.928 8 R CB 1.387 31.662 30.300 -0.041 0.000 1.228 8 R HN 0.417 nan 8.270 nan 0.000 0.469 9 S N 0.717 116.324 115.700 -0.155 0.000 2.475 9 S HA 0.459 4.930 4.470 0.001 0.000 0.281 9 S C 0.012 174.495 174.600 -0.195 0.000 1.198 9 S CA -0.638 57.415 58.200 -0.246 0.000 1.063 9 S CB 1.218 64.211 63.200 -0.346 0.000 0.972 9 S HN 0.464 nan 8.310 nan 0.000 0.486 10 V N 1.288 121.061 119.914 -0.236 0.000 3.155 10 V HA 0.711 4.832 4.120 0.001 0.000 0.313 10 V C -1.690 174.250 176.094 -0.256 0.000 1.162 10 V CA -1.109 61.126 62.300 -0.109 0.000 1.048 10 V CB 0.892 32.707 31.823 -0.013 0.000 1.092 10 V HN 0.693 nan 8.190 nan 0.000 0.447 11 Y N 1.168 121.441 120.300 -0.045 0.000 2.387 11 Y HA 0.625 5.176 4.550 0.001 0.000 0.336 11 Y C 0.313 176.194 175.900 -0.031 0.000 1.067 11 Y CA -0.523 57.550 58.100 -0.045 0.000 1.114 11 Y CB 1.268 39.728 38.460 0.000 0.000 1.208 11 Y HN 0.978 nan 8.280 nan 0.000 0.458 12 D N -0.929 119.517 120.400 0.078 0.000 2.506 12 D HA 0.089 4.729 4.640 0.001 0.000 0.272 12 D C 1.088 177.432 176.300 0.073 0.000 1.214 12 D CA -0.278 53.750 54.000 0.046 0.000 1.067 12 D CB 0.395 41.191 40.800 -0.007 0.000 1.117 12 D HN 0.417 nan 8.370 nan 0.000 0.578 13 S N -1.090 114.639 115.700 0.049 0.000 2.465 13 S HA -0.167 4.303 4.470 0.001 0.000 0.241 13 S C 1.470 176.098 174.600 0.048 0.000 1.000 13 S CA 0.584 58.814 58.200 0.050 0.000 0.964 13 S CB -0.406 62.821 63.200 0.045 0.000 0.763 13 S HN 0.511 nan 8.310 nan 0.000 0.512 14 R N 0.220 120.746 120.500 0.043 0.000 2.362 14 R HA 0.275 4.615 4.340 0.001 0.000 0.227 14 R C 1.308 177.651 176.300 0.073 0.000 0.905 14 R CA 0.423 56.547 56.100 0.040 0.000 1.067 14 R CB 0.192 30.498 30.300 0.009 0.000 1.078 14 R HN 0.574 nan 8.270 nan 0.000 0.516 15 G N 1.178 110.048 108.800 0.117 0.000 2.141 15 G HA2 -0.278 3.683 3.960 0.001 0.000 0.242 15 G HA3 -0.278 3.683 3.960 0.001 0.000 0.242 15 G C -0.417 174.669 174.900 0.310 0.000 0.982 15 G CA -0.086 45.137 45.100 0.206 0.000 0.662 15 G HN 0.388 nan 8.290 nan 0.000 0.527 16 N N 1.187 119.976 118.700 0.149 0.000 2.443 16 N HA 0.564 5.304 4.740 0.001 0.000 0.295 16 N C -2.722 172.668 175.510 -0.200 0.000 1.076 16 N CA -1.801 51.257 53.050 0.014 0.000 0.919 16 N CB 1.760 40.228 38.487 -0.031 0.000 1.176 16 N HN 0.012 nan 8.380 nan 0.000 0.487 17 P HA 0.061 nan 4.420 nan 0.000 0.269 17 P C -0.556 176.466 177.300 -0.464 0.000 1.215 17 P CA 0.103 62.721 63.100 -0.804 0.000 0.780 17 P CB 0.900 31.870 31.700 -1.216 0.000 0.898 18 T N 0.410 114.723 114.554 -0.401 0.000 2.769 18 T HA 0.377 4.728 4.350 0.001 0.000 0.306 18 T C -1.354 173.207 174.700 -0.232 0.000 1.400 18 T CA -0.566 61.380 62.100 -0.256 0.000 1.007 18 T CB 0.670 69.438 68.868 -0.166 0.000 1.392 18 T HN -0.036 nan 8.240 nan 0.000 0.500 19 V N 2.708 122.517 119.914 -0.175 0.000 2.546 19 V HA 0.563 4.684 4.120 0.001 0.000 0.284 19 V C 0.219 176.241 176.094 -0.120 0.000 1.050 19 V CA -0.365 61.842 62.300 -0.156 0.000 0.981 19 V CB 1.214 32.953 31.823 -0.140 0.000 0.990 19 V HN 0.849 nan 8.190 nan 0.000 0.474 20 E N 3.602 123.734 120.200 -0.114 0.000 2.210 20 E HA 0.677 5.028 4.350 0.001 0.000 0.266 20 E C -1.851 174.704 176.600 -0.076 0.000 0.883 20 E CA -0.511 55.846 56.400 -0.071 0.000 0.761 20 E CB 2.222 31.899 29.700 -0.039 0.000 1.156 20 E HN 0.455 nan 8.360 nan 0.000 0.412 21 V N 3.824 123.708 119.914 -0.050 0.000 2.680 21 V HA 0.396 4.516 4.120 0.001 0.000 0.309 21 V C -0.720 175.382 176.094 0.014 0.000 1.052 21 V CA -0.717 61.556 62.300 -0.044 0.000 0.908 21 V CB 1.974 33.752 31.823 -0.075 0.000 1.001 21 V HN 0.743 nan 8.190 nan 0.000 0.431 22 E N 3.589 123.823 120.200 0.057 0.000 2.210 22 E HA 0.600 4.951 4.350 0.001 0.000 0.266 22 E C -1.336 175.306 176.600 0.069 0.000 0.883 22 E CA -0.684 55.765 56.400 0.081 0.000 0.761 22 E CB 3.077 32.842 29.700 0.108 0.000 1.156 22 E HN 0.470 nan 8.360 nan 0.000 0.412 23 L N 2.133 123.407 121.223 0.086 0.000 2.356 23 L HA 0.445 4.785 4.340 0.001 0.000 0.277 23 L C -0.990 175.975 176.870 0.157 0.000 0.996 23 L CA -0.223 54.664 54.840 0.080 0.000 0.822 23 L CB 1.784 43.871 42.059 0.047 0.000 1.256 23 L HN 0.471 nan 8.230 nan 0.000 0.413 24 T N 2.560 117.180 114.554 0.110 0.000 2.794 24 T HA 0.629 4.979 4.350 0.001 0.000 0.280 24 T C -0.038 174.742 174.700 0.134 0.000 0.987 24 T CA -0.404 61.759 62.100 0.106 0.000 0.993 24 T CB 1.452 70.343 68.868 0.038 0.000 0.939 24 T HN 0.770 nan 8.240 nan 0.000 0.449 25 T N -0.958 113.704 114.554 0.180 0.000 2.669 25 T HA 0.410 4.761 4.350 0.001 0.000 0.283 25 T C 1.088 175.861 174.700 0.122 0.000 1.019 25 T CA -0.792 61.399 62.100 0.153 0.000 1.039 25 T CB 1.347 70.324 68.868 0.180 0.000 1.374 25 T HN 0.421 nan 8.240 nan 0.000 0.523 26 E N 0.373 120.630 120.200 0.094 0.000 2.347 26 E HA -0.060 4.291 4.350 0.001 0.000 0.196 26 E C 1.073 177.724 176.600 0.085 0.000 1.008 26 E CA 0.734 57.174 56.400 0.066 0.000 0.852 26 E CB -0.186 29.541 29.700 0.044 0.000 0.783 26 E HN 0.493 nan 8.360 nan 0.000 0.505 27 K N 0.868 121.364 120.400 0.161 0.000 2.426 27 K HA 0.213 4.533 4.320 0.001 0.000 0.193 27 K C 1.012 177.710 176.600 0.163 0.000 1.028 27 K CA 0.742 57.156 56.287 0.212 0.000 1.047 27 K CB 0.771 33.459 32.500 0.314 0.000 0.821 27 K HN 0.331 nan 8.250 nan 0.000 0.513 28 G N -0.136 108.699 108.800 0.059 0.000 2.280 28 G HA2 -0.118 3.843 3.960 0.001 0.000 0.277 28 G HA3 -0.118 3.843 3.960 0.001 0.000 0.277 28 G C -1.528 173.126 174.900 -0.409 0.000 1.288 28 G CA -0.702 44.263 45.100 -0.225 0.000 1.075 28 G HN -0.125 nan 8.290 nan 0.000 0.480 29 V N 0.617 120.162 119.914 -0.614 0.000 2.417 29 V HA 0.713 4.834 4.120 0.001 0.000 0.291 29 V C -0.785 174.861 176.094 -0.748 0.000 1.024 29 V CA -0.389 61.633 62.300 -0.463 0.000 0.861 29 V CB 1.035 32.724 31.823 -0.224 0.000 0.985 29 V HN 0.584 nan 8.190 nan 0.000 0.436 30 F N 3.926 123.881 119.950 0.007 0.000 2.449 30 F HA 0.630 5.154 4.527 -0.005 0.000 0.342 30 F C 0.277 176.086 175.800 0.015 0.000 1.127 30 F CA -0.571 57.438 58.000 0.014 0.000 0.975 30 F CB 1.476 40.483 39.000 0.012 0.000 1.146 30 F HN 0.346 nan 8.300 nan 0.000 0.444 31 R N 1.976 122.557 120.500 0.134 0.000 2.514 31 R HA 0.785 5.125 4.340 0.001 0.000 0.301 31 R C -1.215 175.141 176.300 0.092 0.000 0.962 31 R CA -0.283 55.870 56.100 0.088 0.000 0.882 31 R CB 1.527 31.858 30.300 0.051 0.000 1.143 31 R HN 0.724 nan 8.270 nan 0.000 0.452 32 S N 4.256 119.986 115.700 0.050 0.000 2.541 32 S HA 0.557 5.027 4.470 0.001 0.000 0.280 32 S C -0.726 173.867 174.600 -0.011 0.000 1.112 32 S CA -0.678 57.536 58.200 0.023 0.000 0.925 32 S CB 1.501 64.685 63.200 -0.028 0.000 1.067 32 S HN 0.516 nan 8.310 nan 0.000 0.479 33 I N 1.689 122.252 120.570 -0.010 0.000 2.603 33 I HA 0.514 4.685 4.170 0.001 0.000 0.300 33 I C -0.764 175.325 176.117 -0.047 0.000 1.017 33 I CA -1.183 60.100 61.300 -0.027 0.000 1.098 33 I CB 1.871 39.869 38.000 -0.003 0.000 1.279 33 I HN 0.236 nan 8.210 nan 0.000 0.437 34 V N 6.341 126.216 119.914 -0.065 0.000 2.439 34 V HA 0.348 4.469 4.120 0.001 0.000 0.282 34 V C -1.902 174.157 176.094 -0.058 0.000 1.039 34 V CA -1.320 60.937 62.300 -0.072 0.000 0.913 34 V CB 1.178 32.948 31.823 -0.087 0.000 0.983 34 V HN 0.620 nan 8.190 nan 0.000 0.460 35 P HA 0.364 nan 4.420 nan 0.000 0.282 35 P C -0.795 176.473 177.300 -0.053 0.000 1.287 35 P CA -0.534 62.545 63.100 -0.035 0.000 0.792 35 P CB 1.627 33.320 31.700 -0.011 0.000 1.163 36 S N -1.149 114.517 115.700 -0.057 0.000 2.614 36 S HA 0.613 5.084 4.470 0.001 0.000 0.275 36 S C -0.184 174.374 174.600 -0.070 0.000 1.161 36 S CA -0.614 57.546 58.200 -0.066 0.000 0.969 36 S CB 0.410 63.565 63.200 -0.075 0.000 1.059 36 S HN 0.649 nan 8.310 nan 0.000 0.482 37 G N 1.851 110.613 108.800 -0.064 0.000 2.557 37 G HA2 0.653 4.613 3.960 0.001 0.000 0.292 37 G HA3 0.653 4.613 3.960 0.001 0.000 0.292 37 G C 0.673 175.537 174.900 -0.060 0.000 1.237 37 G CA -0.053 45.009 45.100 -0.063 0.000 0.978 37 G HN 1.076 nan 8.290 nan 0.000 0.498 38 A N -0.737 122.059 122.820 -0.041 0.000 1.995 38 A HA 0.335 4.655 4.320 0.001 0.000 0.200 38 A C 1.701 179.333 177.584 0.081 0.000 1.566 38 A CA 1.082 53.095 52.037 -0.039 0.000 0.895 38 A CB -0.269 18.658 19.000 -0.122 0.000 1.046 38 A HN 1.162 nan 8.150 nan 0.000 0.523 39 S N 2.307 118.067 115.700 0.100 0.000 3.983 39 S HA 0.313 4.784 4.470 0.001 0.000 0.194 39 S C 0.324 174.930 174.600 0.011 0.000 1.464 39 S CA 0.220 58.464 58.200 0.074 0.000 1.021 39 S CB -1.370 61.861 63.200 0.052 0.000 1.424 39 S HN 0.650 nan 8.310 nan 0.000 0.473 40 T N -0.110 114.445 114.554 0.002 0.000 2.870 40 T HA 0.510 4.861 4.350 0.001 0.000 0.300 40 T C 0.835 175.512 174.700 -0.038 0.000 0.989 40 T CA -0.403 61.684 62.100 -0.021 0.000 1.139 40 T CB 0.777 69.630 68.868 -0.026 0.000 0.920 40 T HN 0.510 nan 8.240 nan 0.000 0.537 41 G N 1.173 109.949 108.800 -0.040 0.000 2.554 41 G HA2 0.264 4.225 3.960 0.001 0.000 0.238 41 G HA3 0.264 4.225 3.960 0.001 0.000 0.238 41 G C 1.030 175.870 174.900 -0.100 0.000 1.259 41 G CA -0.429 44.635 45.100 -0.060 0.000 0.843 41 G HN 0.844 nan 8.290 nan 0.000 0.582 42 V N 1.207 121.002 119.914 -0.197 0.000 2.759 42 V HA -0.083 4.038 4.120 0.001 0.000 0.256 42 V C 1.711 177.601 176.094 -0.341 0.000 1.080 42 V CA 1.458 63.584 62.300 -0.291 0.000 1.101 42 V CB -0.635 30.953 31.823 -0.392 0.000 0.698 42 V HN 0.753 nan 8.190 nan 0.000 0.477 43 H N 0.038 119.091 119.070 -0.028 0.000 2.539 43 H HA 0.303 4.860 4.556 0.001 0.000 0.269 43 H C 0.778 176.091 175.328 -0.024 0.000 0.980 43 H CA -0.179 55.856 56.048 -0.022 0.000 1.152 43 H CB 0.108 29.858 29.762 -0.020 0.000 1.407 43 H HN 0.595 nan 8.280 nan 0.000 0.564 44 E N 0.947 121.169 120.200 0.036 0.000 2.404 44 E HA 0.314 4.665 4.350 0.001 0.000 0.261 44 E C 0.316 176.920 176.600 0.006 0.000 1.074 44 E CA -0.375 56.035 56.400 0.016 0.000 0.917 44 E CB 1.179 30.873 29.700 -0.009 0.000 0.965 44 E HN 0.242 nan 8.360 nan 0.000 0.433 45 A N 2.359 125.178 122.820 -0.001 0.000 2.507 45 A HA 0.015 4.336 4.320 0.001 0.000 0.235 45 A C -0.122 177.450 177.584 -0.019 0.000 1.070 45 A CA -0.314 51.718 52.037 -0.009 0.000 0.768 45 A CB 0.138 19.128 19.000 -0.015 0.000 1.011 45 A HN 0.494 nan 8.150 nan 0.000 0.502 46 L N 1.188 122.397 121.223 -0.022 0.000 2.477 46 L HA 0.160 4.501 4.340 0.001 0.000 0.272 46 L C 0.629 177.476 176.870 -0.037 0.000 1.157 46 L CA 0.548 55.370 54.840 -0.029 0.000 0.889 46 L CB 0.211 42.253 42.059 -0.028 0.000 1.158 46 L HN 0.750 nan 8.230 nan 0.000 0.473 47 E N 6.183 126.358 120.200 -0.042 0.000 2.089 47 E HA 0.141 4.492 4.350 0.001 0.000 0.284 47 E C -0.503 176.065 176.600 -0.055 0.000 1.023 47 E CA -0.472 55.898 56.400 -0.052 0.000 0.819 47 E CB 0.745 30.412 29.700 -0.055 0.000 1.076 47 E HN 0.725 nan 8.360 nan 0.000 0.396 48 M N 5.538 125.104 119.600 -0.055 0.000 2.184 48 M HA 0.190 4.671 4.480 0.001 0.000 0.351 48 M C -0.801 175.459 176.300 -0.066 0.000 1.395 48 M CA -0.065 55.201 55.300 -0.057 0.000 1.117 48 M CB 0.231 32.807 32.600 -0.040 0.000 1.708 48 M HN 0.332 nan 8.290 nan 0.000 0.468 49 R N 3.336 123.792 120.500 -0.073 0.000 2.711 49 R HA 0.277 4.618 4.340 0.001 0.000 0.284 49 R C -0.007 176.242 176.300 -0.085 0.000 0.968 49 R CA -0.662 55.396 56.100 -0.070 0.000 0.924 49 R CB 1.288 31.553 30.300 -0.057 0.000 1.162 49 R HN 0.699 nan 8.270 nan 0.000 0.465 50 D N 0.659 121.035 120.400 -0.040 0.000 2.149 50 D HA -0.018 4.623 4.640 0.001 0.000 0.201 50 D C 1.085 177.354 176.300 -0.052 0.000 0.972 50 D CA 1.558 55.533 54.000 -0.042 0.000 0.835 50 D CB 0.147 41.028 40.800 0.134 0.000 0.966 50 D HN 0.908 nan 8.370 nan 0.000 0.476 51 G N 1.443 110.239 108.800 -0.006 0.000 2.155 51 G HA2 -0.271 3.690 3.960 0.001 0.000 0.257 51 G HA3 -0.271 3.690 3.960 0.001 0.000 0.257 51 G C -0.035 174.881 174.900 0.027 0.000 0.983 51 G CA 0.352 45.452 45.100 -0.000 0.000 0.676 51 G HN 0.362 nan 8.290 nan 0.000 0.528 52 D N 0.441 120.879 120.400 0.063 0.000 2.374 52 D HA 0.333 4.973 4.640 0.001 0.000 0.240 52 D C 1.686 178.026 176.300 0.066 0.000 1.229 52 D CA -0.503 53.539 54.000 0.070 0.000 0.895 52 D CB 0.511 41.373 40.800 0.103 0.000 1.046 52 D HN 0.063 nan 8.370 nan 0.000 0.498 53 K N 1.606 122.031 120.400 0.042 0.000 2.211 53 K HA -0.110 4.211 4.320 0.001 0.000 0.204 53 K C 1.612 178.227 176.600 0.025 0.000 1.047 53 K CA 0.787 57.095 56.287 0.035 0.000 0.935 53 K CB -0.327 32.188 32.500 0.024 0.000 0.728 53 K HN 0.487 nan 8.250 nan 0.000 0.452 54 S N 0.061 115.769 115.700 0.013 0.000 2.603 54 S HA 0.069 4.540 4.470 0.001 0.000 0.220 54 S C 0.348 174.919 174.600 -0.050 0.000 0.967 54 S CA -0.017 58.174 58.200 -0.015 0.000 0.920 54 S CB 0.069 63.258 63.200 -0.019 0.000 0.773 54 S HN 0.072 nan 8.310 nan 0.000 0.529 55 K N 0.493 120.881 120.400 -0.020 0.000 2.482 55 K HA 0.211 4.532 4.320 0.001 0.000 0.251 55 K C -1.010 175.662 176.600 0.120 0.000 0.936 55 K CA -0.749 55.480 56.287 -0.097 0.000 0.791 55 K CB 1.008 33.427 32.500 -0.134 0.000 1.213 55 K HN 0.166 nan 8.250 nan 0.000 0.428 56 W N 4.244 125.566 121.300 0.037 0.000 5.950 56 W HA -0.262 4.399 4.660 0.001 0.000 0.383 56 W C -0.056 176.478 176.519 0.025 0.000 1.418 56 W CA 0.541 57.911 57.345 0.041 0.000 0.994 56 W CB -1.686 27.785 29.460 0.019 0.000 2.552 56 W HN 0.834 nan 8.180 nan 0.000 1.551 57 M N -1.786 117.919 119.600 0.175 0.000 2.762 57 M HA -0.266 4.215 4.480 0.001 0.000 0.190 57 M C 1.427 177.792 176.300 0.108 0.000 0.586 57 M CA 2.357 57.727 55.300 0.115 0.000 0.620 57 M CB -2.590 30.074 32.600 0.107 0.000 2.269 57 M HN 1.037 nan 8.290 nan 0.000 0.563 58 G N -0.210 108.673 108.800 0.138 0.000 2.143 58 G HA2 -0.311 3.650 3.960 0.001 0.000 0.249 58 G HA3 -0.311 3.650 3.960 0.001 0.000 0.249 58 G C 0.564 175.522 174.900 0.097 0.000 0.981 58 G CA 0.669 45.834 45.100 0.108 0.000 0.665 58 G HN 0.571 nan 8.290 nan 0.000 0.528 59 K N 0.662 121.139 120.400 0.127 0.000 2.576 59 K HA 0.413 4.733 4.320 0.001 0.000 0.209 59 K C 1.384 177.950 176.600 -0.057 0.000 1.049 59 K CA 0.058 56.364 56.287 0.032 0.000 1.140 59 K CB 0.870 33.375 32.500 0.009 0.000 0.871 59 K HN 0.374 nan 8.250 nan 0.000 0.479 60 G N 0.631 109.455 108.800 0.041 0.000 2.594 60 G HA2 0.201 4.162 3.960 0.001 0.000 0.243 60 G HA3 0.201 4.162 3.960 0.001 0.000 0.243 60 G C 0.594 175.376 174.900 -0.196 0.000 1.229 60 G CA -0.469 44.530 45.100 -0.168 0.000 0.843 60 G HN 0.139 nan 8.290 nan 0.000 0.578 61 V N 0.140 119.858 119.914 -0.327 0.000 2.988 61 V HA 0.293 4.414 4.120 0.001 0.000 0.356 61 V C 1.631 177.648 176.094 -0.128 0.000 1.380 61 V CA -0.202 61.979 62.300 -0.198 0.000 1.184 61 V CB -0.583 31.089 31.823 -0.251 0.000 1.204 61 V HN 0.624 nan 8.190 nan 0.000 0.530 62 L N -0.583 120.608 121.223 -0.054 0.000 2.042 62 L HA -0.107 4.234 4.340 0.001 0.000 0.210 62 L C 2.669 179.520 176.870 -0.032 0.000 1.076 62 L CA 2.192 57.019 54.840 -0.021 0.000 0.749 62 L CB -0.840 41.257 42.059 0.065 0.000 0.893 62 L HN 0.436 nan 8.230 nan 0.000 0.432 63 H N -0.181 118.863 119.070 -0.044 0.000 2.353 63 H HA -0.104 4.453 4.556 0.002 0.000 0.300 63 H C 2.295 177.589 175.328 -0.058 0.000 1.090 63 H CA 1.534 57.559 56.048 -0.039 0.000 1.327 63 H CB -0.192 29.552 29.762 -0.029 0.000 1.383 63 H HN 0.341 nan 8.280 nan 0.000 0.508 64 A N 0.153 122.999 122.820 0.044 0.000 1.877 64 A HA -0.141 4.179 4.320 0.001 0.000 0.216 64 A C 2.605 180.148 177.584 -0.069 0.000 1.186 64 A CA 1.744 53.767 52.037 -0.024 0.000 0.620 64 A CB -0.872 18.094 19.000 -0.057 0.000 0.822 64 A HN 0.251 nan 8.150 nan 0.000 0.443 65 V N 0.300 120.153 119.914 -0.102 0.000 2.407 65 V HA -0.275 3.846 4.120 0.001 0.000 0.248 65 V C 2.536 178.552 176.094 -0.130 0.000 1.055 65 V CA 2.409 64.622 62.300 -0.145 0.000 1.049 65 V CB -0.671 31.047 31.823 -0.176 0.000 0.662 65 V HN 0.701 nan 8.190 nan 0.000 0.455 66 K N 0.376 120.713 120.400 -0.105 0.000 2.097 66 K HA -0.188 4.132 4.320 0.001 0.000 0.205 66 K C 1.903 178.464 176.600 -0.065 0.000 1.050 66 K CA 1.893 58.123 56.287 -0.094 0.000 0.938 66 K CB -0.260 32.165 32.500 -0.124 0.000 0.718 66 K HN 0.591 nan 8.250 nan 0.000 0.442 67 N N -0.320 118.351 118.700 -0.049 0.000 2.223 67 N HA -0.146 4.595 4.740 0.001 0.000 0.185 67 N C 1.561 177.054 175.510 -0.028 0.000 1.016 67 N CA 1.061 54.095 53.050 -0.027 0.000 0.863 67 N CB 0.159 38.637 38.487 -0.015 0.000 0.983 67 N HN -0.017 nan 8.380 nan 0.000 0.429 68 V N 1.319 121.201 119.914 -0.053 0.000 2.323 68 V HA -0.136 3.985 4.120 0.001 0.000 0.244 68 V C 1.721 177.790 176.094 -0.041 0.000 1.041 68 V CA 1.351 63.618 62.300 -0.055 0.000 1.025 68 V CB -0.424 31.338 31.823 -0.102 0.000 0.656 68 V HN 0.368 nan 8.190 nan 0.000 0.451 69 N N 0.467 119.128 118.700 -0.065 0.000 2.270 69 N HA -0.114 4.627 4.740 0.001 0.000 0.181 69 N C 1.332 176.848 175.510 0.009 0.000 1.016 69 N CA 1.501 54.534 53.050 -0.029 0.000 0.870 69 N CB -0.177 38.276 38.487 -0.057 0.000 0.979 69 N HN 0.489 nan 8.380 nan 0.000 0.431 70 D N -0.763 119.636 120.400 -0.001 0.000 2.355 70 D HA 0.084 4.725 4.640 0.001 0.000 0.206 70 D C 1.785 178.100 176.300 0.025 0.000 1.010 70 D CA 0.238 54.245 54.000 0.012 0.000 0.875 70 D CB 0.589 41.386 40.800 -0.004 0.000 0.966 70 D HN 0.005 nan 8.370 nan 0.000 0.512 71 V N -0.021 119.909 119.914 0.026 0.000 2.939 71 V HA 0.107 4.228 4.120 0.001 0.000 0.228 71 V C 2.220 178.361 176.094 0.079 0.000 1.162 71 V CA 0.048 62.371 62.300 0.039 0.000 1.222 71 V CB -0.173 31.660 31.823 0.017 0.000 1.053 71 V HN 0.008 nan 8.190 nan 0.000 0.504 72 I N 1.182 121.800 120.570 0.080 0.000 2.142 72 I HA -0.230 3.941 4.170 0.001 0.000 0.240 72 I C 2.807 179.056 176.117 0.221 0.000 1.078 72 I CA 1.729 63.124 61.300 0.158 0.000 1.343 72 I CB -0.652 37.409 38.000 0.102 0.000 1.046 72 I HN 0.334 nan 8.210 nan 0.000 0.405 73 A N 1.802 124.695 122.820 0.122 0.000 1.869 73 A HA -0.195 4.126 4.320 0.001 0.000 0.218 73 A C 0.322 178.007 177.584 0.168 0.000 1.203 73 A CA 2.539 54.648 52.037 0.120 0.000 0.638 73 A CB -2.253 16.791 19.000 0.072 0.000 0.831 73 A HN 0.334 nan 8.150 nan 0.000 0.450 74 P HA -0.146 nan 4.420 nan 0.000 0.215 74 P C 1.610 179.004 177.300 0.157 0.000 1.157 74 P CA 2.106 65.280 63.100 0.124 0.000 0.863 74 P CB -0.236 31.519 31.700 0.091 0.000 0.787 75 A N -0.796 122.153 122.820 0.215 0.000 1.930 75 A HA -0.158 4.163 4.320 0.001 0.000 0.217 75 A C 2.186 179.949 177.584 0.298 0.000 1.175 75 A CA 1.172 53.386 52.037 0.296 0.000 0.627 75 A CB -1.786 17.439 19.000 0.375 0.000 0.815 75 A HN 0.104 nan 8.150 nan 0.000 0.443 76 F N 0.526 120.583 119.950 0.180 0.000 2.075 76 F HA -0.143 4.382 4.527 -0.002 0.000 0.297 76 F C 2.353 178.069 175.800 -0.141 0.000 1.113 76 F CA 1.940 59.897 58.000 -0.071 0.000 1.218 76 F CB -0.294 38.745 39.000 0.065 0.000 0.984 76 F HN 0.031 nan 8.300 nan 0.000 0.472 77 V N 0.691 120.757 119.914 0.253 0.000 2.332 77 V HA -0.343 3.778 4.120 0.001 0.000 0.248 77 V C 2.452 178.553 176.094 0.011 0.000 1.055 77 V CA 2.332 64.716 62.300 0.140 0.000 1.038 77 V CB -0.769 31.130 31.823 0.126 0.000 0.651 77 V HN 0.321 nan 8.190 nan 0.000 0.450 78 K N 0.348 120.753 120.400 0.008 0.000 2.097 78 K HA -0.144 4.177 4.320 0.001 0.000 0.206 78 K C 2.092 178.636 176.600 -0.093 0.000 1.049 78 K CA 1.441 57.717 56.287 -0.019 0.000 0.933 78 K CB -0.290 32.222 32.500 0.021 0.000 0.717 78 K HN 0.434 nan 8.250 nan 0.000 0.442 79 A N 1.452 124.145 122.820 -0.213 0.000 2.067 79 A HA -0.165 4.156 4.320 0.001 0.000 0.219 79 A C 0.670 178.063 177.584 -0.318 0.000 1.158 79 A CA 1.198 53.028 52.037 -0.345 0.000 0.661 79 A CB -0.643 17.879 19.000 -0.796 0.000 0.801 79 A HN 0.723 nan 8.150 nan 0.000 0.452 80 N N -1.084 117.451 118.700 -0.276 0.000 2.671 80 N HA -0.145 4.596 4.740 0.001 0.000 0.261 80 N C -0.576 174.786 175.510 -0.246 0.000 1.053 80 N CA 0.657 53.591 53.050 -0.192 0.000 0.732 80 N CB -1.815 36.603 38.487 -0.114 0.000 0.887 80 N HN 0.521 nan 8.380 nan 0.000 0.546 81 I N -0.164 120.179 120.570 -0.379 0.000 2.662 81 I HA 0.130 4.301 4.170 0.001 0.000 0.291 81 I C 0.788 176.807 176.117 -0.162 0.000 1.046 81 I CA -0.608 60.474 61.300 -0.363 0.000 1.361 81 I CB 0.721 38.315 38.000 -0.676 0.000 1.429 81 I HN 0.293 nan 8.210 nan 0.000 0.558 82 D N 4.237 124.572 120.400 -0.110 0.000 2.380 82 D HA 0.133 4.774 4.640 0.001 0.000 0.230 82 D C 1.007 177.301 176.300 -0.010 0.000 1.154 82 D CA -0.524 53.448 54.000 -0.047 0.000 0.859 82 D CB 1.264 42.041 40.800 -0.039 0.000 1.045 82 D HN 0.369 nan 8.370 nan 0.000 0.495 83 V N 2.562 122.485 119.914 0.015 0.000 2.568 83 V HA -0.237 3.884 4.120 0.001 0.000 0.253 83 V C 1.852 177.969 176.094 0.038 0.000 1.072 83 V CA 1.270 63.596 62.300 0.043 0.000 1.084 83 V CB -0.741 31.084 31.823 0.004 0.000 0.676 83 V HN 0.419 nan 8.190 nan 0.000 0.469 84 K N 0.430 120.839 120.400 0.014 0.000 2.211 84 K HA -0.081 4.240 4.320 0.001 0.000 0.203 84 K C 1.050 177.715 176.600 0.109 0.000 1.050 84 K CA 1.149 57.474 56.287 0.062 0.000 0.945 84 K CB -0.225 32.291 32.500 0.026 0.000 0.732 84 K HN 0.476 nan 8.250 nan 0.000 0.451 85 D N 1.349 121.785 120.400 0.060 0.000 2.558 85 D HA -0.024 4.617 4.640 0.001 0.000 0.221 85 D C 0.924 177.262 176.300 0.064 0.000 1.143 85 D CA 0.093 54.122 54.000 0.049 0.000 1.010 85 D CB 0.827 41.637 40.800 0.016 0.000 1.068 85 D HN -0.046 nan 8.370 nan 0.000 0.511 86 Q N 2.745 122.597 119.800 0.086 0.000 2.152 86 Q HA -0.199 4.142 4.340 0.001 0.000 0.206 86 Q C 1.526 177.569 176.000 0.072 0.000 0.985 86 Q CA 1.670 57.529 55.803 0.093 0.000 0.863 86 Q CB 0.173 28.961 28.738 0.084 0.000 0.904 86 Q HN 0.356 nan 8.270 nan 0.000 0.422 87 K N -0.766 119.664 120.400 0.049 0.000 2.032 87 K HA -0.138 4.183 4.320 0.001 0.000 0.209 87 K C 2.023 178.653 176.600 0.049 0.000 1.048 87 K CA 1.273 57.584 56.287 0.041 0.000 0.927 87 K CB -0.317 32.197 32.500 0.024 0.000 0.712 87 K HN 0.295 nan 8.250 nan 0.000 0.441 88 A N 1.001 123.845 122.820 0.040 0.000 1.898 88 A HA -0.112 4.209 4.320 0.001 0.000 0.216 88 A C 2.379 180.000 177.584 0.062 0.000 1.181 88 A CA 1.314 53.371 52.037 0.033 0.000 0.620 88 A CB -0.633 18.362 19.000 -0.007 0.000 0.819 88 A HN 0.072 nan 8.150 nan 0.000 0.442 89 V N 0.778 120.739 119.914 0.078 0.000 2.255 89 V HA -0.270 3.851 4.120 0.001 0.000 0.247 89 V C 2.154 178.387 176.094 0.232 0.000 1.051 89 V CA 2.436 64.833 62.300 0.162 0.000 1.018 89 V CB -0.735 31.220 31.823 0.219 0.000 0.641 89 V HN 0.525 nan 8.190 nan 0.000 0.445 90 D N -0.457 120.037 120.400 0.156 0.000 2.183 90 D HA -0.120 4.521 4.640 0.001 0.000 0.203 90 D C 1.887 178.252 176.300 0.108 0.000 0.969 90 D CA 1.027 55.104 54.000 0.128 0.000 0.842 90 D CB -0.316 40.531 40.800 0.078 0.000 0.957 90 D HN 0.419 nan 8.370 nan 0.000 0.484 91 D N 0.026 120.485 120.400 0.099 0.000 2.144 91 D HA -0.134 4.507 4.640 0.001 0.000 0.199 91 D C 1.791 178.145 176.300 0.090 0.000 0.984 91 D CA 0.338 54.380 54.000 0.071 0.000 0.834 91 D CB -0.360 40.474 40.800 0.058 0.000 0.955 91 D HN 0.180 nan 8.370 nan 0.000 0.465 92 F N 1.415 121.364 119.950 -0.002 0.000 2.075 92 F HA -0.131 4.400 4.527 0.006 0.000 0.297 92 F C 2.157 177.976 175.800 0.032 0.000 1.113 92 F CA 1.171 59.164 58.000 -0.011 0.000 1.218 92 F CB -0.395 38.563 39.000 -0.070 0.000 0.984 92 F HN -0.131 nan 8.300 nan 0.000 0.472 93 L N -0.051 121.251 121.223 0.131 0.000 2.012 93 L HA -0.259 4.082 4.340 0.001 0.000 0.210 93 L C 2.533 179.367 176.870 -0.060 0.000 1.073 93 L CA 1.576 56.443 54.840 0.045 0.000 0.748 93 L CB -0.789 41.366 42.059 0.160 0.000 0.891 93 L HN 0.192 nan 8.230 nan 0.000 0.431 94 I N -0.963 119.591 120.570 -0.027 0.000 2.226 94 I HA -0.313 3.857 4.170 0.001 0.000 0.245 94 I C 2.844 178.912 176.117 -0.081 0.000 1.100 94 I CA 1.433 62.709 61.300 -0.041 0.000 1.374 94 I CB -0.257 37.733 38.000 -0.017 0.000 1.057 94 I HN 0.229 nan 8.210 nan 0.000 0.413 95 S N 0.777 116.407 115.700 -0.116 0.000 2.368 95 S HA -0.155 4.316 4.470 0.001 0.000 0.224 95 S C 2.004 176.486 174.600 -0.196 0.000 1.029 95 S CA 1.009 59.125 58.200 -0.140 0.000 0.988 95 S CB -0.267 62.848 63.200 -0.141 0.000 0.838 95 S HN 0.286 nan 8.310 nan 0.000 0.462 96 L N 2.092 123.124 121.223 -0.319 0.000 2.042 96 L HA -0.098 4.243 4.340 0.001 0.000 0.210 96 L C 2.007 178.781 176.870 -0.160 0.000 1.076 96 L CA 2.622 57.273 54.840 -0.315 0.000 0.749 96 L CB -1.048 40.751 42.059 -0.433 0.000 0.893 96 L HN 0.445 nan 8.230 nan 0.000 0.432 97 D N -1.034 119.294 120.400 -0.121 0.000 2.084 97 D HA -0.060 4.581 4.640 0.001 0.000 0.196 97 D C 1.628 177.891 176.300 -0.062 0.000 0.985 97 D CA 1.673 55.629 54.000 -0.072 0.000 0.826 97 D CB -0.186 40.582 40.800 -0.054 0.000 0.978 97 D HN 0.475 nan 8.370 nan 0.000 0.456 98 G N -0.315 108.445 108.800 -0.065 0.000 2.143 98 G HA2 -0.241 3.720 3.960 0.001 0.000 0.248 98 G HA3 -0.241 3.720 3.960 0.001 0.000 0.248 98 G C 0.373 175.251 174.900 -0.037 0.000 0.991 98 G CA 1.059 46.127 45.100 -0.052 0.000 0.689 98 G HN 0.836 nan 8.290 nan 0.000 0.522 99 T N -4.191 110.343 114.554 -0.033 0.000 2.906 99 T HA 0.841 5.191 4.350 0.001 0.000 0.295 99 T C 1.239 175.925 174.700 -0.022 0.000 1.075 99 T CA 0.279 62.364 62.100 -0.025 0.000 1.005 99 T CB 1.900 70.755 68.868 -0.021 0.000 1.136 99 T HN 1.328 nan 8.240 nan 0.000 0.498 100 A N 2.006 124.815 122.820 -0.017 0.000 1.898 100 A HA -0.008 4.313 4.320 0.001 0.000 0.216 100 A C 1.930 179.507 177.584 -0.011 0.000 1.181 100 A CA 1.453 53.481 52.037 -0.015 0.000 0.620 100 A CB -0.821 18.172 19.000 -0.011 0.000 0.819 100 A HN 0.945 nan 8.150 nan 0.000 0.442 101 N N -0.842 117.853 118.700 -0.008 0.000 2.313 101 N HA 0.014 4.755 4.740 0.001 0.000 0.207 101 N C -0.250 175.252 175.510 -0.013 0.000 1.141 101 N CA 0.469 53.516 53.050 -0.005 0.000 0.830 101 N CB -0.304 38.184 38.487 0.002 0.000 1.008 101 N HN 0.464 nan 8.380 nan 0.000 0.481 102 K N -0.155 120.234 120.400 -0.018 0.000 3.035 102 K HA -0.172 4.149 4.320 0.001 0.000 0.262 102 K C 0.455 177.041 176.600 -0.023 0.000 1.024 102 K CA 0.788 57.061 56.287 -0.023 0.000 0.748 102 K CB -1.922 30.564 32.500 -0.024 0.000 1.247 102 K HN 0.565 nan 8.250 nan 0.000 0.482 103 S N -0.643 115.045 115.700 -0.021 0.000 2.496 103 S HA -0.082 4.389 4.470 0.001 0.000 0.224 103 S C 1.659 176.247 174.600 -0.020 0.000 0.996 103 S CA 0.679 58.866 58.200 -0.021 0.000 0.927 103 S CB 0.302 63.491 63.200 -0.019 0.000 0.774 103 S HN 0.478 nan 8.310 nan 0.000 0.524 104 K N 1.395 121.783 120.400 -0.020 0.000 2.007 104 K HA 0.145 4.466 4.320 0.001 0.000 0.206 104 K C 1.828 178.421 176.600 -0.012 0.000 1.047 104 K CA 1.162 57.440 56.287 -0.016 0.000 0.937 104 K CB -0.194 32.293 32.500 -0.021 0.000 0.718 104 K HN 0.398 nan 8.250 nan 0.000 0.438 105 L N -0.404 120.808 121.223 -0.018 0.000 2.408 105 L HA 0.249 4.590 4.340 0.001 0.000 0.215 105 L C 0.536 177.395 176.870 -0.018 0.000 1.081 105 L CA 0.218 55.048 54.840 -0.015 0.000 0.840 105 L CB 0.325 42.371 42.059 -0.022 0.000 1.002 105 L HN 0.512 nan 8.230 nan 0.000 0.468 106 G N -0.483 108.302 108.800 -0.024 0.000 3.067 106 G HA2 -0.032 3.928 3.960 0.001 0.000 0.686 106 G HA3 -0.032 3.928 3.960 0.001 0.000 0.686 106 G C 0.452 175.330 174.900 -0.036 0.000 1.119 106 G CA -0.352 44.730 45.100 -0.031 0.000 0.790 106 G HN 0.132 nan 8.290 nan 0.000 0.605 107 A N 1.841 124.639 122.820 -0.038 0.000 1.972 107 A HA -0.052 4.269 4.320 0.001 0.000 0.219 107 A C 2.200 179.753 177.584 -0.051 0.000 1.169 107 A CA 2.164 54.177 52.037 -0.040 0.000 0.635 107 A CB -0.360 18.617 19.000 -0.037 0.000 0.810 107 A HN 1.650 nan 8.150 nan 0.000 0.446 108 N N 0.228 118.893 118.700 -0.058 0.000 2.521 108 N HA 0.160 4.901 4.740 0.001 0.000 0.188 108 N C 1.126 176.590 175.510 -0.077 0.000 1.146 108 N CA 1.187 54.194 53.050 -0.072 0.000 0.893 108 N CB -0.282 38.156 38.487 -0.082 0.000 0.975 108 N HN 0.373 nan 8.380 nan 0.000 0.451 109 A N 0.627 123.408 122.820 -0.065 0.000 1.973 109 A HA 0.319 4.640 4.320 0.001 0.000 0.210 109 A C 2.187 179.735 177.584 -0.059 0.000 1.200 109 A CA -0.001 51.997 52.037 -0.066 0.000 0.707 109 A CB -0.163 18.807 19.000 -0.050 0.000 0.862 109 A HN 0.173 nan 8.150 nan 0.000 0.461 110 I N -0.571 119.972 120.570 -0.046 0.000 2.233 110 I HA -0.150 4.021 4.170 0.001 0.000 0.243 110 I C 2.365 178.454 176.117 -0.047 0.000 1.093 110 I CA 0.839 62.119 61.300 -0.032 0.000 1.380 110 I CB -0.177 37.812 38.000 -0.019 0.000 1.067 110 I HN 0.351 nan 8.210 nan 0.000 0.413 111 L N 1.368 122.553 121.223 -0.064 0.000 2.043 111 L HA -0.146 4.195 4.340 0.001 0.000 0.212 111 L C 2.345 179.145 176.870 -0.117 0.000 1.075 111 L CA 2.290 57.076 54.840 -0.090 0.000 0.752 111 L CB -1.223 40.778 42.059 -0.097 0.000 0.891 111 L HN 0.221 nan 8.230 nan 0.000 0.432 112 G N -1.290 107.445 108.800 -0.108 0.000 2.440 112 G HA2 -0.218 3.743 3.960 0.001 0.000 0.218 112 G HA3 -0.218 3.743 3.960 0.001 0.000 0.218 112 G C 1.511 176.345 174.900 -0.110 0.000 1.154 112 G CA 1.154 46.187 45.100 -0.111 0.000 0.767 112 G HN 0.362 nan 8.290 nan 0.000 0.552 113 V N 0.577 120.423 119.914 -0.114 0.000 2.307 113 V HA -0.161 3.960 4.120 0.001 0.000 0.245 113 V C 2.972 179.000 176.094 -0.109 0.000 1.045 113 V CA 2.110 64.316 62.300 -0.156 0.000 1.024 113 V CB -0.497 31.212 31.823 -0.189 0.000 0.651 113 V HN 0.467 nan 8.190 nan 0.000 0.449 114 S N -0.178 115.485 115.700 -0.061 0.000 2.353 114 S HA -0.179 4.292 4.470 0.001 0.000 0.222 114 S C 1.931 176.498 174.600 -0.055 0.000 1.035 114 S CA 1.934 60.121 58.200 -0.021 0.000 1.025 114 S CB -0.335 62.847 63.200 -0.029 0.000 0.902 114 S HN 0.495 nan 8.310 nan 0.000 0.440 115 L N 0.904 122.035 121.223 -0.153 0.000 2.027 115 L HA -0.026 4.315 4.340 0.001 0.000 0.206 115 L C 2.959 179.796 176.870 -0.055 0.000 1.074 115 L CA 1.192 55.884 54.840 -0.248 0.000 0.745 115 L CB -0.801 40.951 42.059 -0.510 0.000 0.898 115 L HN 0.397 nan 8.230 nan 0.000 0.433 116 A N 0.263 123.058 122.820 -0.041 0.000 1.940 116 A HA -0.183 4.138 4.320 0.001 0.000 0.219 116 A C 2.548 180.141 177.584 0.014 0.000 1.176 116 A CA 1.751 53.805 52.037 0.028 0.000 0.631 116 A CB -0.643 18.365 19.000 0.013 0.000 0.814 116 A HN 0.413 nan 8.150 nan 0.000 0.446 117 A N 0.436 123.250 122.820 -0.009 0.000 1.902 117 A HA -0.126 4.195 4.320 0.001 0.000 0.217 117 A C 2.531 180.115 177.584 -0.000 0.000 1.181 117 A CA 2.438 54.479 52.037 0.006 0.000 0.623 117 A CB -1.055 17.994 19.000 0.082 0.000 0.818 117 A HN 1.072 nan 8.150 nan 0.000 0.443 118 S N -0.099 115.653 115.700 0.087 0.000 2.399 118 S HA -0.188 4.282 4.470 0.001 0.000 0.231 118 S C 1.983 176.612 174.600 0.049 0.000 1.022 118 S CA 1.236 59.548 58.200 0.187 0.000 0.983 118 S CB -0.469 62.940 63.200 0.349 0.000 0.803 118 S HN 0.631 nan 8.310 nan 0.000 0.480 119 R N 1.328 121.836 120.500 0.014 0.000 2.073 119 R HA 0.162 4.503 4.340 0.001 0.000 0.229 119 R C 2.803 178.742 176.300 -0.601 0.000 1.120 119 R CA 1.153 57.197 56.100 -0.094 0.000 0.967 119 R CB -0.763 29.610 30.300 0.122 0.000 0.862 119 R HN 0.569 nan 8.270 nan 0.000 0.436 120 A N 1.474 123.811 122.820 -0.805 0.000 1.933 120 A HA -0.087 4.234 4.320 0.001 0.000 0.218 120 A C 2.382 179.537 177.584 -0.715 0.000 1.175 120 A CA 1.617 52.870 52.037 -1.307 0.000 0.628 120 A CB -0.536 18.092 19.000 -0.621 0.000 0.814 120 A HN 0.379 nan 8.150 nan 0.000 0.444 121 A N -0.086 122.448 122.820 -0.475 0.000 1.902 121 A HA 0.160 4.480 4.320 0.001 0.000 0.217 121 A C 2.496 179.709 177.584 -0.618 0.000 1.181 121 A CA 2.047 53.802 52.037 -0.471 0.000 0.623 121 A CB -0.985 17.749 19.000 -0.443 0.000 0.818 121 A HN 1.042 nan 8.150 nan 0.000 0.443 122 A N -0.160 122.261 122.820 -0.666 0.000 1.902 122 A HA 0.162 4.482 4.320 0.001 0.000 0.217 122 A C 2.478 179.899 177.584 -0.273 0.000 1.181 122 A CA 2.049 53.815 52.037 -0.452 0.000 0.623 122 A CB -0.947 17.905 19.000 -0.246 0.000 0.818 122 A HN 1.058 nan 8.150 nan 0.000 0.443 123 A N -0.566 122.082 122.820 -0.288 0.000 1.969 123 A HA -0.142 4.179 4.320 0.001 0.000 0.218 123 A C 2.006 179.526 177.584 -0.106 0.000 1.169 123 A CA 1.673 53.635 52.037 -0.125 0.000 0.635 123 A CB -0.459 18.536 19.000 -0.008 0.000 0.810 123 A HN 0.671 nan 8.150 nan 0.000 0.445 124 E N 0.136 120.230 120.200 -0.177 0.000 2.077 124 E HA -0.185 4.165 4.350 0.001 0.000 0.193 124 E C 1.605 178.152 176.600 -0.090 0.000 0.989 124 E CA 1.312 57.645 56.400 -0.112 0.000 0.800 124 E CB -0.080 29.542 29.700 -0.131 0.000 0.746 124 E HN 0.609 nan 8.360 nan 0.000 0.452 125 K N 0.308 120.633 120.400 -0.124 0.000 2.486 125 K HA -0.047 4.273 4.320 0.001 0.000 0.194 125 K C 0.455 177.019 176.600 -0.059 0.000 1.033 125 K CA 0.507 56.745 56.287 -0.081 0.000 1.004 125 K CB -0.033 32.415 32.500 -0.086 0.000 0.798 125 K HN 0.086 nan 8.250 nan 0.000 0.495 126 N N 0.258 118.919 118.700 -0.064 0.000 2.756 126 N HA -0.152 4.589 4.740 0.001 0.000 0.248 126 N C -1.220 174.261 175.510 -0.048 0.000 1.062 126 N CA 0.808 53.834 53.050 -0.040 0.000 0.696 126 N CB -1.189 37.285 38.487 -0.021 0.000 0.946 126 N HN 0.127 nan 8.380 nan 0.000 0.548 127 V N -3.034 116.834 119.914 -0.076 0.000 3.078 127 V HA 0.881 5.002 4.120 0.001 0.000 0.311 127 V C -2.258 173.740 176.094 -0.160 0.000 1.138 127 V CA -1.746 60.494 62.300 -0.101 0.000 1.007 127 V CB 2.155 33.931 31.823 -0.079 0.000 1.045 127 V HN 0.057 nan 8.190 nan 0.000 0.432 128 P HA 0.165 nan 4.420 nan 0.000 0.272 128 P C 0.705 177.765 177.300 -0.401 0.000 1.230 128 P CA -0.265 62.607 63.100 -0.381 0.000 0.788 128 P CB 1.299 32.597 31.700 -0.669 0.000 0.949 129 L N 3.041 124.117 121.223 -0.244 0.000 2.013 129 L HA -0.244 4.097 4.340 0.001 0.000 0.212 129 L C 2.681 179.465 176.870 -0.143 0.000 1.073 129 L CA 2.037 56.802 54.840 -0.125 0.000 0.753 129 L CB -1.956 40.063 42.059 -0.066 0.000 0.890 129 L HN 0.480 nan 8.230 nan 0.000 0.432 130 Y N -0.818 119.427 120.300 -0.092 0.000 2.256 130 Y HA -0.220 4.332 4.550 0.003 0.000 0.288 130 Y C 2.455 178.358 175.900 0.005 0.000 1.155 130 Y CA 1.579 59.618 58.100 -0.102 0.000 1.203 130 Y CB -1.166 37.181 38.460 -0.188 0.000 0.980 130 Y HN 0.213 nan 8.280 nan 0.000 0.530 131 K N 0.285 120.477 120.400 -0.348 0.000 2.025 131 K HA -0.232 4.089 4.320 0.001 0.000 0.207 131 K C 2.138 178.765 176.600 0.045 0.000 1.049 131 K CA 1.897 58.167 56.287 -0.028 0.000 0.933 131 K CB -0.833 31.565 32.500 -0.169 0.000 0.714 131 K HN 0.525 nan 8.250 nan 0.000 0.438 132 H N 0.211 119.223 119.070 -0.096 0.000 2.387 132 H HA 0.005 4.563 4.556 0.004 0.000 0.299 132 H C 1.593 176.920 175.328 -0.001 0.000 1.090 132 H CA 2.087 58.106 56.048 -0.047 0.000 1.332 132 H CB -0.137 29.585 29.762 -0.067 0.000 1.386 132 H HN 0.220 nan 8.280 nan 0.000 0.516 133 L N -0.573 120.594 121.223 -0.093 0.000 2.201 133 L HA -0.048 4.293 4.340 0.001 0.000 0.212 133 L C 2.737 179.580 176.870 -0.045 0.000 1.105 133 L CA 0.800 55.576 54.840 -0.108 0.000 0.775 133 L CB -0.564 41.464 42.059 -0.052 0.000 0.913 133 L HN 0.407 nan 8.230 nan 0.000 0.440 134 A N -0.039 122.800 122.820 0.031 0.000 1.897 134 A HA -0.178 4.142 4.320 0.001 0.000 0.215 134 A C 1.905 179.485 177.584 -0.006 0.000 1.181 134 A CA 1.570 53.642 52.037 0.058 0.000 0.620 134 A CB -0.344 18.749 19.000 0.154 0.000 0.821 134 A HN 0.311 nan 8.150 nan 0.000 0.443 135 D N 0.445 120.826 120.400 -0.031 0.000 2.084 135 D HA -0.135 4.505 4.640 0.001 0.000 0.194 135 D C 1.983 178.236 176.300 -0.078 0.000 0.990 135 D CA 1.148 55.121 54.000 -0.044 0.000 0.826 135 D CB -0.520 40.269 40.800 -0.019 0.000 0.971 135 D HN 0.420 nan 8.370 nan 0.000 0.453 136 L N 1.017 122.138 121.223 -0.170 0.000 2.081 136 L HA -0.179 4.162 4.340 0.001 0.000 0.212 136 L C 2.179 179.016 176.870 -0.055 0.000 1.080 136 L CA 1.543 56.299 54.840 -0.141 0.000 0.754 136 L CB -0.496 41.431 42.059 -0.220 0.000 0.893 136 L HN 0.084 nan 8.230 nan 0.000 0.433 137 S N -1.724 113.957 115.700 -0.032 0.000 2.577 137 S HA 0.084 4.554 4.470 0.001 0.000 0.219 137 S C 0.647 175.253 174.600 0.010 0.000 0.962 137 S CA -0.463 57.744 58.200 0.012 0.000 0.921 137 S CB -0.052 63.178 63.200 0.049 0.000 0.789 137 S HN 0.326 nan 8.310 nan 0.000 0.497 138 K N 1.089 121.482 120.400 -0.011 0.000 3.148 138 K HA -0.125 4.195 4.320 0.001 0.000 0.267 138 K C -0.700 175.885 176.600 -0.025 0.000 0.996 138 K CA 0.526 56.803 56.287 -0.017 0.000 0.737 138 K CB -2.285 30.208 32.500 -0.012 0.000 1.308 138 K HN 0.440 nan 8.250 nan 0.000 0.470 139 S N 0.639 116.323 115.700 -0.027 0.000 2.617 139 S HA 0.231 4.702 4.470 0.001 0.000 0.283 139 S C 0.172 174.718 174.600 -0.090 0.000 1.189 139 S CA -0.963 57.206 58.200 -0.052 0.000 1.036 139 S CB 1.672 64.859 63.200 -0.022 0.000 1.014 139 S HN 0.260 nan 8.310 nan 0.000 0.522 140 K N 1.361 121.687 120.400 -0.123 0.000 2.412 140 K HA 0.102 4.423 4.320 0.001 0.000 0.281 140 K C 0.610 177.048 176.600 -0.269 0.000 1.027 140 K CA 0.199 56.390 56.287 -0.160 0.000 0.989 140 K CB 0.252 32.666 32.500 -0.143 0.000 0.935 140 K HN 0.774 nan 8.250 nan 0.000 0.475 141 T N -0.837 113.502 114.554 -0.358 0.000 3.182 141 T HA 0.097 4.447 4.350 0.001 0.000 0.277 141 T C -0.297 174.062 174.700 -0.569 0.000 1.013 141 T CA -0.447 61.189 62.100 -0.773 0.000 0.900 141 T CB -0.059 68.399 68.868 -0.682 0.000 1.098 141 T HN 0.350 nan 8.240 nan 0.000 0.543 142 S N 1.757 117.280 115.700 -0.294 0.000 2.279 142 S HA 0.595 5.065 4.470 0.001 0.000 0.176 142 S C -2.738 171.802 174.600 -0.101 0.000 1.554 142 S CA -0.959 57.148 58.200 -0.156 0.000 1.242 142 S CB 1.277 64.416 63.200 -0.101 0.000 1.163 142 S HN 0.342 nan 8.310 nan 0.000 0.449 143 P HA 0.510 nan 4.420 nan 0.000 0.289 143 P C -0.846 176.395 177.300 -0.099 0.000 1.300 143 P CA -0.698 62.366 63.100 -0.060 0.000 0.828 143 P CB 0.811 32.526 31.700 0.025 0.000 1.235 144 Y N -1.215 119.085 120.300 -0.000 0.000 2.281 144 Y HA 0.308 4.859 4.550 0.001 0.000 0.337 144 Y C 0.707 176.597 175.900 -0.017 0.000 1.304 144 Y CA 0.076 58.168 58.100 -0.014 0.000 1.465 144 Y CB 0.691 39.128 38.460 -0.039 0.000 1.350 144 Y HN -0.070 nan 8.280 nan 0.000 0.575 145 V N 3.651 123.664 119.914 0.166 0.000 2.444 145 V HA 0.225 4.345 4.120 0.001 0.000 0.294 145 V C -0.683 175.460 176.094 0.081 0.000 1.022 145 V CA -0.977 61.379 62.300 0.092 0.000 0.850 145 V CB 1.480 33.327 31.823 0.039 0.000 0.992 145 V HN 0.436 nan 8.190 nan 0.000 0.426 146 L N 7.788 129.077 121.223 0.111 0.000 2.326 146 L HA 0.529 4.869 4.340 0.001 0.000 0.278 146 L C -2.007 174.962 176.870 0.164 0.000 1.092 146 L CA -1.642 53.279 54.840 0.135 0.000 0.810 146 L CB 1.718 43.949 42.059 0.287 0.000 1.153 146 L HN 0.432 nan 8.230 nan 0.000 0.439 147 P HA 0.168 nan 4.420 nan 0.000 0.281 147 P C -0.617 176.885 177.300 0.336 0.000 1.249 147 P CA -0.462 62.745 63.100 0.178 0.000 0.810 147 P CB 1.579 33.369 31.700 0.151 0.000 1.008 148 V N 4.279 124.309 119.914 0.193 0.000 2.530 148 V HA 0.209 4.330 4.120 0.001 0.000 0.282 148 V C -1.724 174.546 176.094 0.292 0.000 1.048 148 V CA -1.555 60.871 62.300 0.209 0.000 0.997 148 V CB 0.773 32.590 31.823 -0.010 0.000 0.987 148 V HN 0.593 nan 8.190 nan 0.000 0.477 149 P HA 0.288 nan 4.420 nan 0.000 0.287 149 P C -1.079 176.242 177.300 0.035 0.000 1.281 149 P CA -0.327 62.891 63.100 0.196 0.000 0.781 149 P CB 0.587 32.363 31.700 0.126 0.000 0.903 150 F N 3.616 123.542 119.950 -0.040 0.000 2.313 150 F HA 0.304 4.831 4.527 0.001 0.000 0.369 150 F C 0.558 176.318 175.800 -0.068 0.000 1.109 150 F CA -0.424 57.531 58.000 -0.074 0.000 1.132 150 F CB 0.570 39.520 39.000 -0.084 0.000 1.291 150 F HN 0.063 nan 8.300 nan 0.000 0.496 151 L N 3.721 124.951 121.223 0.012 0.000 2.261 151 L HA 0.257 4.598 4.340 0.001 0.000 0.289 151 L C 0.730 177.617 176.870 0.028 0.000 1.059 151 L CA -0.174 54.658 54.840 -0.014 0.000 0.816 151 L CB 0.527 42.537 42.059 -0.081 0.000 1.191 151 L HN 0.521 nan 8.230 nan 0.000 0.431 152 N N 2.878 121.610 118.700 0.054 0.000 2.605 152 N HA 0.038 4.779 4.740 0.001 0.000 0.282 152 N C 1.085 176.657 175.510 0.104 0.000 1.206 152 N CA -0.380 52.730 53.050 0.100 0.000 1.074 152 N CB 0.715 39.278 38.487 0.126 0.000 1.434 152 N HN 0.640 nan 8.380 nan 0.000 0.506 153 V N 1.636 121.627 119.914 0.129 0.000 3.129 153 V HA 0.190 4.311 4.120 0.001 0.000 0.259 153 V C 0.635 176.851 176.094 0.204 0.000 1.116 153 V CA 0.571 62.996 62.300 0.208 0.000 1.127 153 V CB -0.306 31.666 31.823 0.248 0.000 0.742 153 V HN 0.455 nan 8.190 nan 0.000 0.474 154 L N 1.643 122.968 121.223 0.169 0.000 2.406 154 L HA 0.571 4.911 4.340 0.001 0.000 0.272 154 L C -1.007 175.978 176.870 0.192 0.000 0.980 154 L CA -0.371 54.535 54.840 0.110 0.000 0.831 154 L CB 1.788 43.839 42.059 -0.014 0.000 1.253 154 L HN 0.264 nan 8.230 nan 0.000 0.406 155 N N 3.028 121.809 118.700 0.134 0.000 2.399 155 N HA 0.759 5.500 4.740 0.001 0.000 0.295 155 N C -0.389 175.204 175.510 0.138 0.000 1.048 155 N CA -0.595 52.550 53.050 0.159 0.000 0.886 155 N CB 2.099 40.658 38.487 0.120 0.000 1.185 155 N HN 0.669 nan 8.380 nan 0.000 0.487 156 G N -0.342 108.572 108.800 0.190 0.000 3.021 156 G HA2 0.797 4.758 3.960 0.001 0.000 0.290 156 G HA3 0.797 4.758 3.960 0.001 0.000 0.290 156 G C -0.329 174.669 174.900 0.162 0.000 1.291 156 G CA -0.261 44.936 45.100 0.161 0.000 0.834 156 G HN 0.814 nan 8.290 nan 0.000 0.564 157 G N -1.286 107.625 108.800 0.184 0.000 2.698 157 G HA2 0.101 4.062 3.960 0.001 0.000 0.225 157 G HA3 0.101 4.062 3.960 0.001 0.000 0.225 157 G C 1.141 176.179 174.900 0.230 0.000 1.345 157 G CA 0.614 45.878 45.100 0.274 0.000 0.871 157 G HN 1.496 nan 8.290 nan 0.000 0.540 158 S N 0.104 115.970 115.700 0.276 0.000 2.404 158 S HA -0.204 4.267 4.470 0.001 0.000 0.230 158 S C 1.456 175.940 174.600 -0.192 0.000 1.046 158 S CA 2.043 60.253 58.200 0.017 0.000 1.135 158 S CB -0.422 62.560 63.200 -0.362 0.000 1.056 158 S HN 0.716 nan 8.310 nan 0.000 0.426 159 H N 0.242 119.385 119.070 0.122 0.000 2.660 159 H HA 0.565 5.122 4.556 0.001 0.000 0.310 159 H C 0.074 175.438 175.328 0.060 0.000 1.080 159 H CA 0.383 56.475 56.048 0.075 0.000 1.145 159 H CB -0.466 29.332 29.762 0.060 0.000 1.432 159 H HN 0.306 nan 8.280 nan 0.000 0.542 160 A N 0.655 123.539 122.820 0.108 0.000 3.297 160 A HA 0.530 4.851 4.320 0.001 0.000 0.304 160 A C 1.268 178.870 177.584 0.029 0.000 0.963 160 A CA -0.049 52.037 52.037 0.081 0.000 0.935 160 A CB -0.195 18.863 19.000 0.097 0.000 1.093 160 A HN 0.467 nan 8.150 nan 0.000 0.480 161 G N 0.876 109.684 108.800 0.013 0.000 2.546 161 G HA2 0.163 4.124 3.960 0.001 0.000 0.346 161 G HA3 0.163 4.124 3.960 0.001 0.000 0.346 161 G C 1.350 176.214 174.900 -0.060 0.000 1.334 161 G CA 0.509 45.595 45.100 -0.023 0.000 0.925 161 G HN 2.427 nan 8.290 nan 0.000 0.537 162 G N -1.793 106.967 108.800 -0.067 0.000 2.561 162 G HA2 0.208 4.169 3.960 0.001 0.000 0.528 162 G HA3 0.208 4.169 3.960 0.001 0.000 0.528 162 G C 1.262 176.088 174.900 -0.123 0.000 1.334 162 G CA 2.255 47.303 45.100 -0.086 0.000 0.911 162 G HN 2.435 nan 8.290 nan 0.000 0.538 163 A N -1.413 121.337 122.820 -0.118 0.000 2.348 163 A HA 0.569 4.890 4.320 0.001 0.000 0.224 163 A C 1.119 178.621 177.584 -0.137 0.000 1.227 163 A CA 0.709 52.655 52.037 -0.151 0.000 0.885 163 A CB 0.105 19.041 19.000 -0.107 0.000 0.933 163 A HN 1.371 nan 8.150 nan 0.000 0.506 164 L N 0.772 121.943 121.223 -0.088 0.000 2.584 164 L HA 0.257 4.597 4.340 0.001 0.000 0.272 164 L C 1.354 178.237 176.870 0.022 0.000 1.195 164 L CA 0.521 55.348 54.840 -0.022 0.000 0.920 164 L CB 0.328 42.389 42.059 0.003 0.000 1.173 164 L HN 0.280 nan 8.230 nan 0.000 0.489 165 A N 6.081 128.917 122.820 0.026 0.000 1.855 165 A HA 0.102 4.422 4.320 0.001 0.000 0.213 165 A C 0.954 178.657 177.584 0.198 0.000 1.195 165 A CA 0.397 52.485 52.037 0.085 0.000 0.610 165 A CB -0.561 18.268 19.000 -0.284 0.000 0.837 165 A HN 0.644 nan 8.150 nan 0.000 0.444 166 L N 0.646 121.960 121.223 0.151 0.000 2.525 166 L HA -0.039 4.302 4.340 0.001 0.000 0.278 166 L C 1.623 178.590 176.870 0.162 0.000 1.218 166 L CA 0.036 54.959 54.840 0.138 0.000 0.878 166 L CB 0.361 42.395 42.059 -0.042 0.000 1.127 166 L HN 0.615 nan 8.230 nan 0.000 0.492 167 Q N 2.480 122.337 119.800 0.095 0.000 2.049 167 Q HA -0.028 4.312 4.340 0.001 0.000 0.198 167 Q C -0.195 175.852 176.000 0.078 0.000 0.971 167 Q CA 1.131 56.995 55.803 0.102 0.000 0.833 167 Q CB 0.449 29.231 28.738 0.073 0.000 0.896 167 Q HN 0.684 nan 8.270 nan 0.000 0.434 168 E N -0.626 119.533 120.200 -0.068 0.000 2.248 168 E HA 0.349 4.700 4.350 0.001 0.000 0.267 168 E C -1.577 174.860 176.600 -0.273 0.000 0.877 168 E CA -0.518 55.860 56.400 -0.038 0.000 0.759 168 E CB 1.644 31.346 29.700 0.002 0.000 1.182 168 E HN 0.061 nan 8.360 nan 0.000 0.418 169 F N 2.471 122.435 119.950 0.023 0.000 2.434 169 F HA 0.384 4.911 4.527 0.001 0.000 0.367 169 F C -0.149 175.664 175.800 0.022 0.000 1.093 169 F CA -0.554 57.449 58.000 0.005 0.000 1.085 169 F CB 0.865 39.853 39.000 -0.021 0.000 1.322 169 F HN 0.195 nan 8.300 nan 0.000 0.452 170 M N 4.850 124.520 119.600 0.118 0.000 2.478 170 M HA 0.630 5.111 4.480 0.001 0.000 0.327 170 M C -0.384 175.939 176.300 0.038 0.000 1.187 170 M CA -0.885 54.475 55.300 0.101 0.000 1.022 170 M CB 2.223 34.916 32.600 0.154 0.000 1.629 170 M HN 0.420 nan 8.290 nan 0.000 0.461 171 I N -0.351 120.200 120.570 -0.031 0.000 2.493 171 I HA 0.936 5.107 4.170 0.001 0.000 0.298 171 I C -0.857 175.081 176.117 -0.299 0.000 0.998 171 I CA -0.898 60.332 61.300 -0.117 0.000 1.137 171 I CB 1.909 39.868 38.000 -0.067 0.000 1.310 171 I HN 0.705 nan 8.210 nan 0.000 0.445 172 A N 5.524 128.077 122.820 -0.445 0.000 2.375 172 A HA 0.719 5.040 4.320 0.001 0.000 0.291 172 A C -2.675 174.668 177.584 -0.401 0.000 1.160 172 A CA -1.516 50.095 52.037 -0.709 0.000 0.747 172 A CB 0.958 19.027 19.000 -1.552 0.000 1.170 172 A HN 0.599 nan 8.150 nan 0.000 0.458 173 P HA 0.079 nan 4.420 nan 0.000 0.226 173 P C 1.234 178.532 177.300 -0.004 0.000 1.783 173 P CA 0.336 63.355 63.100 -0.135 0.000 0.980 173 P CB -0.122 31.481 31.700 -0.161 0.000 1.967 174 T N -3.615 110.905 114.554 -0.057 0.000 2.977 174 T HA -0.103 4.248 4.350 0.001 0.000 0.271 174 T C 1.917 176.702 174.700 0.142 0.000 1.105 174 T CA 1.299 63.424 62.100 0.042 0.000 1.116 174 T CB -0.736 68.152 68.868 0.033 0.000 0.878 174 T HN 0.242 nan 8.240 nan 0.000 0.509 175 G N 0.795 109.653 108.800 0.097 0.000 2.880 175 G HA2 0.483 4.444 3.960 0.001 0.000 0.209 175 G HA3 0.483 4.444 3.960 0.001 0.000 0.209 175 G C 0.627 175.596 174.900 0.114 0.000 1.157 175 G CA 0.036 45.197 45.100 0.101 0.000 0.779 175 G HN 0.844 nan 8.290 nan 0.000 0.539 176 A N 0.115 123.016 122.820 0.135 0.000 2.406 176 A HA 0.481 4.801 4.320 0.001 0.000 0.243 176 A C 1.227 178.843 177.584 0.054 0.000 1.082 176 A CA 0.070 52.108 52.037 0.001 0.000 0.786 176 A CB 0.535 19.412 19.000 -0.206 0.000 1.029 176 A HN 0.287 nan 8.150 nan 0.000 0.495 177 K N -0.530 119.818 120.400 -0.087 0.000 2.284 177 K HA 0.087 4.408 4.320 0.001 0.000 0.198 177 K C 0.457 176.971 176.600 -0.144 0.000 1.048 177 K CA 1.321 57.596 56.287 -0.020 0.000 0.987 177 K CB 0.131 32.618 32.500 -0.021 0.000 0.800 177 K HN 0.903 nan 8.250 nan 0.000 0.486 178 T N -3.648 110.612 114.554 -0.490 0.000 2.841 178 T HA 0.228 4.579 4.350 0.001 0.000 0.296 178 T C 0.291 174.345 174.700 -1.075 0.000 1.166 178 T CA -0.923 60.827 62.100 -0.584 0.000 1.007 178 T CB 0.877 69.607 68.868 -0.231 0.000 1.253 178 T HN 0.003 nan 8.240 nan 0.000 0.511 179 F N 1.535 121.021 119.950 -0.773 0.000 2.146 179 F HA 0.179 4.707 4.527 0.002 0.000 0.298 179 F C 2.541 178.150 175.800 -0.318 0.000 1.096 179 F CA 1.807 59.508 58.000 -0.498 0.000 1.275 179 F CB -0.748 38.203 39.000 -0.082 0.000 1.008 179 F HN 0.770 nan 8.300 nan 0.000 0.480 180 A N -0.032 122.665 122.820 -0.206 0.000 1.940 180 A HA -0.249 4.072 4.320 0.001 0.000 0.219 180 A C 2.281 179.677 177.584 -0.313 0.000 1.176 180 A CA 1.902 53.816 52.037 -0.205 0.000 0.631 180 A CB -0.986 17.982 19.000 -0.053 0.000 0.814 180 A HN 0.599 nan 8.150 nan 0.000 0.446 181 E N -0.215 119.784 120.200 -0.335 0.000 2.072 181 E HA -0.080 4.271 4.350 0.001 0.000 0.190 181 E C 2.207 178.586 176.600 -0.369 0.000 0.982 181 E CA 0.855 57.080 56.400 -0.293 0.000 0.803 181 E CB -0.226 29.322 29.700 -0.254 0.000 0.755 181 E HN 0.522 nan 8.360 nan 0.000 0.453 182 A N 1.282 123.796 122.820 -0.511 0.000 1.908 182 A HA -0.191 4.130 4.320 0.001 0.000 0.218 182 A C 2.128 179.437 177.584 -0.458 0.000 1.181 182 A CA 1.318 53.086 52.037 -0.449 0.000 0.627 182 A CB -0.626 18.125 19.000 -0.416 0.000 0.818 182 A HN 0.368 nan 8.150 nan 0.000 0.445 183 L N -0.207 120.644 121.223 -0.618 0.000 2.056 183 L HA -0.067 4.274 4.340 0.001 0.000 0.207 183 L C 2.438 179.133 176.870 -0.293 0.000 1.078 183 L CA 2.315 56.860 54.840 -0.491 0.000 0.749 183 L CB -0.656 41.056 42.059 -0.577 0.000 0.901 183 L HN 0.495 nan 8.230 nan 0.000 0.433 184 R N -0.343 120.005 120.500 -0.254 0.000 2.073 184 R HA -0.155 4.186 4.340 0.001 0.000 0.234 184 R C 2.334 178.535 176.300 -0.164 0.000 1.134 184 R CA 2.051 58.060 56.100 -0.152 0.000 0.952 184 R CB -0.410 29.824 30.300 -0.109 0.000 0.850 184 R HN 0.445 nan 8.270 nan 0.000 0.433 185 I N 0.365 120.767 120.570 -0.280 0.000 2.208 185 I HA -0.207 3.964 4.170 0.001 0.000 0.245 185 I C 2.453 178.388 176.117 -0.304 0.000 1.097 185 I CA 1.542 62.556 61.300 -0.478 0.000 1.363 185 I CB -0.648 36.955 38.000 -0.660 0.000 1.051 185 I HN 0.464 nan 8.210 nan 0.000 0.413 186 G N 0.493 109.143 108.800 -0.250 0.000 2.418 186 G HA2 -0.290 3.670 3.960 0.001 0.000 0.217 186 G HA3 -0.290 3.670 3.960 0.001 0.000 0.217 186 G C 1.804 176.627 174.900 -0.129 0.000 1.158 186 G CA 1.107 46.100 45.100 -0.179 0.000 0.771 186 G HN 0.517 nan 8.290 nan 0.000 0.545 187 S N 0.468 116.079 115.700 -0.148 0.000 2.383 187 S HA -0.049 4.422 4.470 0.001 0.000 0.227 187 S C 1.989 176.499 174.600 -0.151 0.000 1.026 187 S CA 1.631 59.718 58.200 -0.188 0.000 0.981 187 S CB -0.300 62.833 63.200 -0.113 0.000 0.818 187 S HN 0.545 nan 8.310 nan 0.000 0.472 188 E N 0.757 120.962 120.200 0.010 0.000 2.072 188 E HA -0.052 4.299 4.350 0.001 0.000 0.191 188 E C 2.162 178.831 176.600 0.115 0.000 0.985 188 E CA 1.250 57.729 56.400 0.131 0.000 0.801 188 E CB -0.304 29.522 29.700 0.211 0.000 0.750 188 E HN 0.397 nan 8.360 nan 0.000 0.452 189 V N 0.724 120.692 119.914 0.090 0.000 2.343 189 V HA -0.275 3.845 4.120 0.001 0.000 0.247 189 V C 2.043 178.173 176.094 0.060 0.000 1.051 189 V CA 1.888 64.239 62.300 0.086 0.000 1.036 189 V CB -0.564 31.294 31.823 0.057 0.000 0.654 189 V HN 0.338 nan 8.190 nan 0.000 0.451 190 Y N 1.054 121.294 120.300 -0.101 0.000 2.145 190 Y HA -0.289 4.262 4.550 0.002 0.000 0.286 190 Y C 2.546 178.409 175.900 -0.061 0.000 1.145 190 Y CA 2.178 60.203 58.100 -0.124 0.000 1.148 190 Y CB -0.595 37.725 38.460 -0.233 0.000 0.981 190 Y HN 0.429 nan 8.280 nan 0.000 0.507 191 H N -0.877 118.177 119.070 -0.027 0.000 2.389 191 H HA -0.137 4.420 4.556 0.001 0.000 0.299 191 H C 2.050 177.308 175.328 -0.117 0.000 1.081 191 H CA 1.021 57.002 56.048 -0.112 0.000 1.345 191 H CB -0.036 29.738 29.762 0.019 0.000 1.393 191 H HN 0.387 nan 8.280 nan 0.000 0.520 192 N N 0.593 119.326 118.700 0.054 0.000 2.244 192 N HA -0.120 4.621 4.740 0.001 0.000 0.183 192 N C 1.894 177.389 175.510 -0.026 0.000 1.016 192 N CA 0.599 53.661 53.050 0.020 0.000 0.866 192 N CB -0.023 38.486 38.487 0.037 0.000 0.980 192 N HN 0.228 nan 8.380 nan 0.000 0.430 193 L N 2.078 123.260 121.223 -0.068 0.000 2.093 193 L HA -0.059 4.281 4.340 0.001 0.000 0.208 193 L C 2.013 178.808 176.870 -0.125 0.000 1.085 193 L CA 1.614 56.403 54.840 -0.086 0.000 0.755 193 L CB -0.308 41.697 42.059 -0.091 0.000 0.904 193 L HN -0.065 nan 8.230 nan 0.000 0.435 194 K N -0.496 119.768 120.400 -0.226 0.000 2.026 194 K HA -0.140 4.181 4.320 0.001 0.000 0.208 194 K C 2.222 178.775 176.600 -0.078 0.000 1.048 194 K CA 1.678 57.849 56.287 -0.194 0.000 0.929 194 K CB -0.305 32.038 32.500 -0.262 0.000 0.713 194 K HN 0.600 nan 8.250 nan 0.000 0.439 195 S N 1.458 117.125 115.700 -0.055 0.000 2.368 195 S HA -0.113 4.358 4.470 0.001 0.000 0.225 195 S C 2.109 176.703 174.600 -0.010 0.000 1.030 195 S CA 0.902 59.087 58.200 -0.025 0.000 0.999 195 S CB -0.610 62.579 63.200 -0.018 0.000 0.844 195 S HN 0.186 nan 8.310 nan 0.000 0.459 196 L N 1.091 122.310 121.223 -0.007 0.000 2.093 196 L HA -0.064 4.276 4.340 0.001 0.000 0.208 196 L C 3.003 179.903 176.870 0.051 0.000 1.085 196 L CA 1.541 56.387 54.840 0.010 0.000 0.755 196 L CB -1.274 40.792 42.059 0.012 0.000 0.904 196 L HN 0.379 nan 8.230 nan 0.000 0.435 197 T N -0.371 114.226 114.554 0.072 0.000 2.708 197 T HA -0.191 4.160 4.350 0.001 0.000 0.266 197 T C 1.920 176.733 174.700 0.188 0.000 1.037 197 T CA 1.277 63.489 62.100 0.186 0.000 1.146 197 T CB -0.094 68.804 68.868 0.049 0.000 0.865 197 T HN 0.234 nan 8.240 nan 0.000 0.435 198 K N 0.808 121.252 120.400 0.073 0.000 2.152 198 K HA -0.080 4.241 4.320 0.001 0.000 0.206 198 K C 2.347 178.969 176.600 0.036 0.000 1.048 198 K CA 1.062 57.380 56.287 0.052 0.000 0.933 198 K CB -0.055 32.455 32.500 0.016 0.000 0.721 198 K HN 0.236 nan 8.250 nan 0.000 0.447 199 K N 0.860 121.268 120.400 0.014 0.000 2.116 199 K HA -0.065 4.256 4.320 0.001 0.000 0.203 199 K C 1.806 178.365 176.600 -0.068 0.000 1.052 199 K CA 0.951 57.225 56.287 -0.022 0.000 0.952 199 K CB 0.229 32.713 32.500 -0.027 0.000 0.729 199 K HN 0.028 nan 8.250 nan 0.000 0.446 200 R N -1.252 119.181 120.500 -0.111 0.000 2.210 200 R HA 0.007 4.348 4.340 0.001 0.000 0.203 200 R C 0.848 176.818 176.300 -0.550 0.000 1.010 200 R CA 0.732 56.620 56.100 -0.353 0.000 1.008 200 R CB 0.263 30.258 30.300 -0.507 0.000 0.923 200 R HN 0.240 nan 8.270 nan 0.000 0.469 201 Y N -0.580 119.702 120.300 -0.029 0.000 2.527 201 Y HA 0.367 4.918 4.550 0.001 0.000 0.247 201 Y C 0.725 176.611 175.900 -0.022 0.000 1.138 201 Y CA 0.105 58.188 58.100 -0.027 0.000 1.228 201 Y CB 1.615 40.056 38.460 -0.033 0.000 1.252 201 Y HN 0.123 nan 8.280 nan 0.000 0.531 202 G N 0.310 109.162 108.800 0.087 0.000 2.650 202 G HA2 0.100 4.061 3.960 0.001 0.000 0.686 202 G HA3 0.100 4.061 3.960 0.001 0.000 0.686 202 G C 0.628 175.558 174.900 0.050 0.000 1.205 202 G CA -0.498 44.633 45.100 0.052 0.000 0.781 202 G HN 0.392 nan 8.290 nan 0.000 0.648 203 A N 0.686 123.523 122.820 0.028 0.000 1.986 203 A HA 0.068 4.389 4.320 0.001 0.000 0.220 203 A C 2.817 180.416 177.584 0.024 0.000 1.171 203 A CA 3.156 55.205 52.037 0.021 0.000 0.640 203 A CB -0.678 18.329 19.000 0.012 0.000 0.811 203 A HN 2.174 nan 8.150 nan 0.000 0.451 204 S N -0.308 115.407 115.700 0.026 0.000 2.399 204 S HA -0.022 4.449 4.470 0.001 0.000 0.231 204 S C 1.830 176.443 174.600 0.022 0.000 1.022 204 S CA 1.246 59.461 58.200 0.023 0.000 0.983 204 S CB -0.439 62.775 63.200 0.023 0.000 0.803 204 S HN 0.880 nan 8.310 nan 0.000 0.480 205 A N 0.134 122.973 122.820 0.032 0.000 2.255 205 A HA 0.334 4.655 4.320 0.001 0.000 0.206 205 A C 1.799 179.384 177.584 0.002 0.000 1.193 205 A CA 0.894 52.939 52.037 0.013 0.000 0.794 205 A CB -0.898 18.130 19.000 0.046 0.000 0.794 205 A HN 0.590 nan 8.150 nan 0.000 0.481 206 G N -0.352 108.455 108.800 0.011 0.000 2.662 206 G HA2 0.004 3.965 3.960 0.001 0.000 0.212 206 G HA3 0.004 3.965 3.960 0.001 0.000 0.212 206 G C 0.540 175.452 174.900 0.020 0.000 1.141 206 G CA -0.317 44.786 45.100 0.005 0.000 0.797 206 G HN 0.650 nan 8.290 nan 0.000 0.531 207 N N 0.145 118.860 118.700 0.026 0.000 2.416 207 N HA 0.327 5.068 4.740 0.001 0.000 0.246 207 N C -0.016 175.526 175.510 0.053 0.000 1.260 207 N CA -0.178 52.896 53.050 0.040 0.000 0.897 207 N CB 1.639 40.146 38.487 0.033 0.000 1.110 207 N HN 0.130 nan 8.380 nan 0.000 0.439 208 V N -1.081 118.878 119.914 0.076 0.000 2.834 208 V HA 0.761 4.882 4.120 0.001 0.000 0.313 208 V C 0.804 176.946 176.094 0.079 0.000 1.060 208 V CA -0.776 61.582 62.300 0.097 0.000 0.989 208 V CB 1.166 33.072 31.823 0.138 0.000 1.041 208 V HN 0.649 nan 8.190 nan 0.000 0.459 209 G N 0.990 109.841 108.800 0.085 0.000 2.588 209 G HA2 0.301 4.262 3.960 0.001 0.000 0.281 209 G HA3 0.301 4.262 3.960 0.001 0.000 0.281 209 G C 0.234 175.180 174.900 0.078 0.000 1.236 209 G CA -0.001 45.146 45.100 0.078 0.000 0.969 209 G HN 0.801 nan 8.290 nan 0.000 0.504 210 D N -0.425 120.018 120.400 0.072 0.000 2.172 210 D HA -0.127 4.513 4.640 0.001 0.000 0.196 210 D C 2.238 178.576 176.300 0.064 0.000 0.999 210 D CA 1.341 55.376 54.000 0.058 0.000 0.856 210 D CB 0.117 40.942 40.800 0.042 0.000 0.934 210 D HN 0.528 nan 8.370 nan 0.000 0.453 211 Q N -1.145 118.704 119.800 0.083 0.000 2.360 211 Q HA 0.273 4.613 4.340 0.001 0.000 0.202 211 Q C 1.107 177.161 176.000 0.090 0.000 0.915 211 Q CA 0.438 56.308 55.803 0.112 0.000 0.943 211 Q CB 0.972 29.803 28.738 0.155 0.000 1.064 211 Q HN 0.345 nan 8.270 nan 0.000 0.511 212 G N 0.084 108.931 108.800 0.079 0.000 2.194 212 G HA2 -0.218 3.743 3.960 0.001 0.000 0.236 212 G HA3 -0.218 3.743 3.960 0.001 0.000 0.236 212 G C 0.380 175.354 174.900 0.123 0.000 0.987 212 G CA -0.377 44.760 45.100 0.061 0.000 0.635 212 G HN 0.519 nan 8.290 nan 0.000 0.520 213 G N -0.396 108.493 108.800 0.149 0.000 2.528 213 G HA2 0.708 4.669 3.960 0.001 0.000 0.289 213 G HA3 0.708 4.669 3.960 0.001 0.000 0.289 213 G C 0.640 175.657 174.900 0.194 0.000 1.192 213 G CA 0.282 45.529 45.100 0.244 0.000 0.921 213 G HN 1.482 nan 8.290 nan 0.000 0.512 214 V N -2.016 117.990 119.914 0.154 0.000 3.051 214 V HA 0.629 4.750 4.120 0.001 0.000 0.306 214 V C 0.697 176.794 176.094 0.005 0.000 1.083 214 V CA -0.124 62.201 62.300 0.041 0.000 1.104 214 V CB 1.250 33.048 31.823 -0.040 0.000 1.027 214 V HN 1.345 nan 8.190 nan 0.000 0.483 215 A N 3.254 126.055 122.820 -0.031 0.000 3.365 215 A HA 0.595 4.915 4.320 0.001 0.000 0.258 215 A C -1.808 175.707 177.584 -0.115 0.000 0.964 215 A CA -1.032 50.974 52.037 -0.051 0.000 0.988 215 A CB -0.326 18.674 19.000 0.000 0.000 1.193 215 A HN 0.838 nan 8.150 nan 0.000 0.508 216 P HA 0.103 nan 4.420 nan 0.000 0.272 216 P C -0.642 176.482 177.300 -0.294 0.000 1.223 216 P CA -0.287 62.609 63.100 -0.341 0.000 0.784 216 P CB 0.655 31.903 31.700 -0.754 0.000 0.923 217 N N 2.075 120.651 118.700 -0.207 0.000 2.744 217 N HA 0.132 4.872 4.740 0.001 0.000 0.290 217 N C 0.186 175.618 175.510 -0.131 0.000 1.206 217 N CA 0.342 53.318 53.050 -0.123 0.000 1.119 217 N CB -0.525 37.934 38.487 -0.046 0.000 1.449 217 N HN 0.400 nan 8.380 nan 0.000 0.514 218 I N 1.209 121.669 120.570 -0.183 0.000 2.488 218 I HA 0.069 4.240 4.170 0.001 0.000 0.299 218 I C 1.452 177.515 176.117 -0.090 0.000 0.984 218 I CA -0.614 60.599 61.300 -0.146 0.000 1.250 218 I CB 1.546 39.407 38.000 -0.233 0.000 1.389 218 I HN 0.117 nan 8.210 nan 0.000 0.488 219 Q N 2.509 122.279 119.800 -0.051 0.000 2.178 219 Q HA 0.061 4.402 4.340 0.001 0.000 0.195 219 Q C 0.755 176.732 176.000 -0.039 0.000 0.960 219 Q CA 0.958 56.736 55.803 -0.041 0.000 0.843 219 Q CB -0.028 28.699 28.738 -0.018 0.000 0.927 219 Q HN 0.821 nan 8.270 nan 0.000 0.487 220 T N -2.930 111.606 114.554 -0.031 0.000 2.940 220 T HA 0.681 5.032 4.350 0.001 0.000 0.288 220 T C 0.934 175.618 174.700 -0.027 0.000 1.033 220 T CA -0.173 61.919 62.100 -0.014 0.000 1.033 220 T CB 1.884 70.757 68.868 0.007 0.000 1.079 220 T HN 0.086 nan 8.240 nan 0.000 0.496 221 A N 0.335 123.177 122.820 0.037 0.000 1.969 221 A HA -0.023 4.298 4.320 0.001 0.000 0.218 221 A C 2.181 179.744 177.584 -0.035 0.000 1.169 221 A CA 1.601 53.694 52.037 0.094 0.000 0.635 221 A CB -1.004 18.157 19.000 0.269 0.000 0.810 221 A HN 1.024 nan 8.150 nan 0.000 0.445 222 E N -0.179 120.028 120.200 0.012 0.000 2.085 222 E HA -0.269 4.082 4.350 0.001 0.000 0.194 222 E C 1.997 178.578 176.600 -0.032 0.000 0.994 222 E CA 1.490 57.912 56.400 0.037 0.000 0.801 222 E CB -0.142 29.640 29.700 0.136 0.000 0.743 222 E HN 0.782 nan 8.360 nan 0.000 0.453 223 E N -0.207 119.967 120.200 -0.042 0.000 2.051 223 E HA -0.208 4.143 4.350 0.001 0.000 0.192 223 E C 1.951 178.472 176.600 -0.132 0.000 0.991 223 E CA 1.056 57.431 56.400 -0.043 0.000 0.799 223 E CB -0.140 29.549 29.700 -0.019 0.000 0.748 223 E HN 0.317 nan 8.360 nan 0.000 0.449 224 A N 0.953 123.598 122.820 -0.290 0.000 1.877 224 A HA -0.164 4.157 4.320 0.001 0.000 0.216 224 A C 2.207 179.542 177.584 -0.415 0.000 1.186 224 A CA 1.244 52.986 52.037 -0.492 0.000 0.620 224 A CB -0.708 17.649 19.000 -1.072 0.000 0.822 224 A HN 0.299 nan 8.150 nan 0.000 0.443 225 L N -0.493 120.477 121.223 -0.423 0.000 2.046 225 L HA -0.190 4.151 4.340 0.001 0.000 0.208 225 L C 2.092 178.795 176.870 -0.277 0.000 1.077 225 L CA 1.459 56.018 54.840 -0.468 0.000 0.747 225 L CB -0.660 40.742 42.059 -1.096 0.000 0.896 225 L HN 0.335 nan 8.230 nan 0.000 0.432 226 D N -0.027 120.298 120.400 -0.126 0.000 2.178 226 D HA -0.172 4.469 4.640 0.001 0.000 0.201 226 D C 2.100 178.421 176.300 0.035 0.000 0.980 226 D CA 1.075 55.130 54.000 0.091 0.000 0.842 226 D CB 0.002 40.878 40.800 0.127 0.000 0.948 226 D HN 0.166 nan 8.370 nan 0.000 0.472 227 L N 0.918 122.129 121.223 -0.021 0.000 2.056 227 L HA -0.059 4.282 4.340 0.001 0.000 0.207 227 L C 2.144 179.006 176.870 -0.012 0.000 1.078 227 L CA 1.213 56.050 54.840 -0.005 0.000 0.749 227 L CB -0.425 41.624 42.059 -0.017 0.000 0.901 227 L HN -0.047 nan 8.230 nan 0.000 0.433 228 I N -1.578 118.966 120.570 -0.044 0.000 2.226 228 I HA -0.267 3.904 4.170 0.001 0.000 0.245 228 I C 2.306 178.438 176.117 0.025 0.000 1.100 228 I CA 1.104 62.396 61.300 -0.013 0.000 1.374 228 I CB -0.306 37.685 38.000 -0.016 0.000 1.057 228 I HN 0.083 nan 8.210 nan 0.000 0.413 229 V N 0.763 120.705 119.914 0.046 0.000 2.343 229 V HA -0.294 3.827 4.120 0.001 0.000 0.247 229 V C 2.049 178.178 176.094 0.058 0.000 1.051 229 V CA 1.921 64.269 62.300 0.080 0.000 1.036 229 V CB -0.680 31.228 31.823 0.142 0.000 0.654 229 V HN 0.417 nan 8.190 nan 0.000 0.451 230 D N 0.423 120.851 120.400 0.047 0.000 2.144 230 D HA -0.128 4.513 4.640 0.001 0.000 0.199 230 D C 2.222 178.538 176.300 0.026 0.000 0.984 230 D CA 1.607 55.628 54.000 0.034 0.000 0.834 230 D CB -0.167 40.649 40.800 0.027 0.000 0.955 230 D HN 0.472 nan 8.370 nan 0.000 0.465 231 A N 0.879 123.715 122.820 0.026 0.000 1.898 231 A HA -0.114 4.207 4.320 0.001 0.000 0.216 231 A C 2.374 179.983 177.584 0.041 0.000 1.181 231 A CA 0.731 52.783 52.037 0.025 0.000 0.620 231 A CB -0.638 18.372 19.000 0.017 0.000 0.819 231 A HN 0.158 nan 8.150 nan 0.000 0.442 232 I N -0.437 120.163 120.570 0.050 0.000 2.179 232 I HA -0.292 3.879 4.170 0.001 0.000 0.242 232 I C 2.474 178.625 176.117 0.057 0.000 1.088 232 I CA 1.700 63.042 61.300 0.071 0.000 1.357 232 I CB -0.260 37.781 38.000 0.068 0.000 1.051 232 I HN 0.300 nan 8.210 nan 0.000 0.409 233 K N 0.843 121.264 120.400 0.036 0.000 2.057 233 K HA -0.072 4.249 4.320 0.001 0.000 0.206 233 K C 2.279 178.875 176.600 -0.007 0.000 1.050 233 K CA 1.384 57.680 56.287 0.014 0.000 0.935 233 K CB -0.290 32.221 32.500 0.017 0.000 0.715 233 K HN 0.273 nan 8.250 nan 0.000 0.439 234 A N 1.521 124.342 122.820 0.002 0.000 1.972 234 A HA -0.108 4.212 4.320 0.001 0.000 0.219 234 A C 2.260 179.832 177.584 -0.020 0.000 1.169 234 A CA 1.841 53.873 52.037 -0.007 0.000 0.635 234 A CB -0.554 18.447 19.000 0.002 0.000 0.810 234 A HN 0.338 nan 8.150 nan 0.000 0.446 235 A N -1.622 121.193 122.820 -0.008 0.000 2.208 235 A HA 0.409 4.730 4.320 0.001 0.000 0.209 235 A C 1.687 179.144 177.584 -0.213 0.000 1.161 235 A CA 1.135 53.159 52.037 -0.023 0.000 0.782 235 A CB -0.956 18.113 19.000 0.114 0.000 0.816 235 A HN 1.943 nan 8.150 nan 0.000 0.477 236 G N -0.781 107.909 108.800 -0.184 0.000 2.289 236 G HA2 -0.217 3.744 3.960 0.001 0.000 0.280 236 G HA3 -0.217 3.744 3.960 0.001 0.000 0.280 236 G C 0.092 174.722 174.900 -0.450 0.000 1.089 236 G CA 0.415 45.354 45.100 -0.269 0.000 0.939 236 G HN 0.648 nan 8.290 nan 0.000 0.499 237 H N -0.679 118.390 119.070 -0.000 0.000 2.750 237 H HA 0.176 4.732 4.556 0.001 0.000 0.252 237 H C 0.567 175.895 175.328 0.000 0.000 1.176 237 H CA -0.175 55.870 56.048 -0.004 0.000 0.987 237 H CB 0.627 30.381 29.762 -0.013 0.000 1.810 237 H HN 0.500 nan 8.280 nan 0.000 0.630 238 D N 0.402 120.847 120.400 0.075 0.000 2.493 238 D HA 0.148 4.788 4.640 0.001 0.000 0.240 238 D C 1.556 177.890 176.300 0.057 0.000 1.142 238 D CA 2.030 56.064 54.000 0.058 0.000 0.872 238 D CB 0.522 41.342 40.800 0.033 0.000 1.173 238 D HN 0.603 nan 8.370 nan 0.000 0.467 239 G N 3.823 112.655 108.800 0.053 0.000 2.213 239 G HA2 -0.282 3.679 3.960 0.001 0.000 0.236 239 G HA3 -0.282 3.679 3.960 0.001 0.000 0.236 239 G C 1.064 175.994 174.900 0.050 0.000 0.991 239 G CA 0.483 45.612 45.100 0.048 0.000 0.629 239 G HN 0.563 nan 8.290 nan 0.000 0.517 240 K N -0.514 119.919 120.400 0.055 0.000 2.412 240 K HA 0.431 4.752 4.320 0.001 0.000 0.202 240 K C 0.148 176.748 176.600 -0.000 0.000 1.102 240 K CA 0.463 56.773 56.287 0.039 0.000 1.027 240 K CB 1.744 34.273 32.500 0.048 0.000 0.931 240 K HN 0.255 nan 8.250 nan 0.000 0.557 241 V N 2.782 122.696 119.914 0.000 0.000 2.409 241 V HA 0.292 4.413 4.120 0.001 0.000 0.291 241 V C -0.169 175.902 176.094 -0.038 0.000 1.020 241 V CA -0.971 61.303 62.300 -0.044 0.000 0.848 241 V CB 1.588 33.391 31.823 -0.035 0.000 0.990 241 V HN -0.001 nan 8.190 nan 0.000 0.430 242 K N 3.727 124.070 120.400 -0.094 0.000 2.288 242 K HA 0.726 5.047 4.320 0.001 0.000 0.234 242 K C -0.731 175.813 176.600 -0.094 0.000 1.037 242 K CA -0.774 55.471 56.287 -0.070 0.000 0.914 242 K CB 2.434 34.887 32.500 -0.078 0.000 1.197 242 K HN 0.489 nan 8.250 nan 0.000 0.471 243 I N -0.073 120.481 120.570 -0.027 0.000 2.569 243 I HA 0.439 4.610 4.170 0.001 0.000 0.296 243 I C 0.211 176.352 176.117 0.041 0.000 1.028 243 I CA -0.865 60.437 61.300 0.003 0.000 1.082 243 I CB 2.291 40.325 38.000 0.057 0.000 1.264 243 I HN 0.553 nan 8.210 nan 0.000 0.429 244 G N 5.684 114.529 108.800 0.076 0.000 2.524 244 G HA2 0.796 4.757 3.960 0.001 0.000 0.310 244 G HA3 0.796 4.757 3.960 0.001 0.000 0.310 244 G C -1.346 173.554 174.900 -0.000 0.000 1.279 244 G CA -0.492 44.690 45.100 0.137 0.000 0.974 244 G HN 0.404 nan 8.290 nan 0.000 0.484 245 L N 0.945 122.106 121.223 -0.104 0.000 2.370 245 L HA 0.525 4.866 4.340 0.001 0.000 0.266 245 L C -1.289 175.437 176.870 -0.241 0.000 1.002 245 L CA -1.017 53.665 54.840 -0.264 0.000 0.818 245 L CB 2.731 44.571 42.059 -0.365 0.000 1.325 245 L HN 0.423 nan 8.230 nan 0.000 0.418 246 D N 0.439 120.686 120.400 -0.256 0.000 2.462 246 D HA 0.286 4.927 4.640 0.001 0.000 0.245 246 D C 0.257 176.439 176.300 -0.198 0.000 1.122 246 D CA -0.456 53.435 54.000 -0.181 0.000 0.864 246 D CB 1.633 42.378 40.800 -0.092 0.000 1.098 246 D HN 0.501 nan 8.370 nan 0.000 0.541 247 C N 2.959 122.129 119.300 -0.216 0.000 2.467 247 C HA 0.345 4.806 4.460 0.001 0.000 0.279 247 C C 1.656 176.623 174.990 -0.039 0.000 1.347 247 C CA 0.430 59.375 59.018 -0.121 0.000 1.748 247 C CB -1.209 26.416 27.740 -0.193 0.000 1.977 247 C HN 0.897 nan 8.230 nan 0.000 0.501 248 A N 1.516 124.261 122.820 -0.125 0.000 2.640 248 A HA -0.235 4.086 4.320 0.001 0.000 0.300 248 A C 1.638 179.030 177.584 -0.319 0.000 1.499 248 A CA 0.946 52.899 52.037 -0.141 0.000 0.759 248 A CB -1.880 17.083 19.000 -0.062 0.000 1.048 248 A HN 1.081 nan 8.150 nan 0.000 0.450 249 S N -0.943 114.469 115.700 -0.480 0.000 2.440 249 S HA -0.152 4.319 4.470 0.001 0.000 0.238 249 S C 1.712 175.762 174.600 -0.917 0.000 1.010 249 S CA 1.629 59.172 58.200 -1.094 0.000 0.972 249 S CB -0.492 62.344 63.200 -0.606 0.000 0.774 249 S HN 1.042 nan 8.310 nan 0.000 0.501 250 S N 1.604 117.023 115.700 -0.469 0.000 2.419 250 S HA -0.044 4.427 4.470 0.001 0.000 0.233 250 S C 1.767 176.159 174.600 -0.346 0.000 1.016 250 S CA 1.004 59.015 58.200 -0.316 0.000 0.974 250 S CB -0.340 62.745 63.200 -0.191 0.000 0.786 250 S HN 0.546 nan 8.310 nan 0.000 0.492 251 E N 0.778 120.703 120.200 -0.458 0.000 2.338 251 E HA -0.057 4.294 4.350 0.001 0.000 0.197 251 E C 0.667 176.868 176.600 -0.665 0.000 1.007 251 E CA 0.639 56.770 56.400 -0.447 0.000 0.849 251 E CB -0.100 29.388 29.700 -0.353 0.000 0.774 251 E HN 0.835 nan 8.360 nan 0.000 0.506 252 F N -2.298 117.295 119.950 -0.594 0.000 2.815 252 F HA 0.354 4.882 4.527 0.001 0.000 0.335 252 F C -0.251 175.339 175.800 -0.350 0.000 1.179 252 F CA -1.352 56.248 58.000 -0.666 0.000 1.204 252 F CB -0.440 38.084 39.000 -0.794 0.000 1.050 252 F HN -0.280 nan 8.300 nan 0.000 0.510 253 F N 3.624 123.256 119.950 -0.529 0.000 2.371 253 F HA 0.650 5.178 4.527 0.001 0.000 0.363 253 F C -0.463 175.093 175.800 -0.408 0.000 1.122 253 F CA -0.833 56.806 58.000 -0.602 0.000 1.129 253 F CB 0.572 39.205 39.000 -0.612 0.000 1.173 253 F HN 0.002 nan 8.300 nan 0.000 0.489 254 K N 5.167 125.089 120.400 -0.797 0.000 2.468 254 K HA 0.248 4.569 4.320 0.001 0.000 0.252 254 K C -0.917 175.414 176.600 -0.449 0.000 0.932 254 K CA -0.889 55.060 56.287 -0.562 0.000 0.794 254 K CB 1.786 34.058 32.500 -0.381 0.000 1.241 254 K HN 0.530 nan 8.250 nan 0.000 0.428 255 D N 1.586 121.787 120.400 -0.331 0.000 2.708 255 D HA -0.192 4.448 4.640 0.001 0.000 0.236 255 D C 0.719 176.857 176.300 -0.270 0.000 1.146 255 D CA 1.718 55.612 54.000 -0.177 0.000 0.662 255 D CB -0.962 39.870 40.800 0.052 0.000 1.059 255 D HN 1.119 nan 8.370 nan 0.000 0.428 256 G N -0.553 107.860 108.800 -0.646 0.000 2.175 256 G HA2 -0.371 3.590 3.960 0.001 0.000 0.265 256 G HA3 -0.371 3.590 3.960 0.001 0.000 0.265 256 G C 0.357 175.107 174.900 -0.249 0.000 0.979 256 G CA 1.231 46.066 45.100 -0.441 0.000 0.663 256 G HN 0.533 nan 8.290 nan 0.000 0.533 257 K N -1.421 118.733 120.400 -0.410 0.000 2.378 257 K HA 0.650 4.971 4.320 0.001 0.000 0.244 257 K C -1.227 175.214 176.600 -0.265 0.000 1.039 257 K CA -1.029 55.231 56.287 -0.045 0.000 0.863 257 K CB 1.421 34.063 32.500 0.237 0.000 1.326 257 K HN 0.045 nan 8.250 nan 0.000 0.460 258 Y N 0.470 120.877 120.300 0.177 0.000 2.335 258 Y HA 0.168 4.719 4.550 0.001 0.000 0.338 258 Y C -0.360 175.502 175.900 -0.064 0.000 0.977 258 Y CA -0.870 57.335 58.100 0.175 0.000 1.114 258 Y CB 1.254 39.923 38.460 0.349 0.000 1.182 258 Y HN 0.450 nan 8.280 nan 0.000 0.463 259 D N 3.988 124.263 120.400 -0.208 0.000 2.443 259 D HA 0.206 4.847 4.640 0.001 0.000 0.221 259 D C 0.151 176.317 176.300 -0.224 0.000 1.097 259 D CA -0.126 53.541 54.000 -0.554 0.000 0.865 259 D CB 0.747 40.850 40.800 -1.160 0.000 1.034 259 D HN 0.640 nan 8.370 nan 0.000 0.511 260 L N 2.493 123.593 121.223 -0.204 0.000 2.675 260 L HA 0.119 4.460 4.340 0.001 0.000 0.239 260 L C 0.615 177.403 176.870 -0.136 0.000 1.151 260 L CA 0.401 55.057 54.840 -0.307 0.000 0.905 260 L CB -0.023 41.902 42.059 -0.224 0.000 1.057 260 L HN 0.307 nan 8.230 nan 0.000 0.435 261 D N -1.023 119.351 120.400 -0.043 0.000 2.785 261 D HA -0.004 4.637 4.640 0.001 0.000 0.324 261 D C 1.303 177.573 176.300 -0.050 0.000 1.523 261 D CA -0.446 53.521 54.000 -0.055 0.000 0.789 261 D CB 0.123 40.929 40.800 0.011 0.000 1.171 261 D HN 0.199 nan 8.370 nan 0.000 0.447 262 F N 0.338 120.217 119.950 -0.118 0.000 2.307 262 F HA 0.093 4.621 4.527 0.001 0.000 0.301 262 F C 1.368 177.152 175.800 -0.026 0.000 1.076 262 F CA 0.711 58.665 58.000 -0.077 0.000 1.383 262 F CB -0.223 38.736 39.000 -0.069 0.000 1.055 262 F HN -0.126 nan 8.300 nan 0.000 0.526 263 K N 0.564 120.444 120.400 -0.867 0.000 2.487 263 K HA -0.033 4.287 4.320 0.001 0.000 0.192 263 K C -0.020 176.432 176.600 -0.247 0.000 1.027 263 K CA 0.092 56.015 56.287 -0.607 0.000 1.054 263 K CB -0.411 31.665 32.500 -0.707 0.000 0.824 263 K HN 0.211 nan 8.250 nan 0.000 0.510 264 N N 1.196 119.806 118.700 -0.150 0.000 2.501 264 N HA 0.091 4.831 4.740 0.001 0.000 0.245 264 N C -1.874 173.646 175.510 0.018 0.000 0.974 264 N CA -2.326 50.693 53.050 -0.051 0.000 0.941 264 N CB 1.289 39.758 38.487 -0.029 0.000 1.122 264 N HN -0.188 nan 8.380 nan 0.000 0.507 265 P HA -0.106 nan 4.420 nan 0.000 0.222 265 P C -0.406 176.932 177.300 0.063 0.000 1.142 265 P CA 1.059 64.187 63.100 0.047 0.000 0.788 265 P CB 0.364 32.081 31.700 0.028 0.000 0.767 266 N N -0.347 118.385 118.700 0.054 0.000 2.467 266 N HA 0.049 4.790 4.740 0.001 0.000 0.278 266 N C -0.059 175.496 175.510 0.075 0.000 1.306 266 N CA -0.029 53.053 53.050 0.053 0.000 0.905 266 N CB 0.261 38.765 38.487 0.028 0.000 1.236 266 N HN 0.016 nan 8.380 nan 0.000 0.509 267 S N 0.972 116.754 115.700 0.135 0.000 2.552 267 S HA -0.084 4.387 4.470 0.001 0.000 0.289 267 S C 0.074 174.780 174.600 0.177 0.000 1.304 267 S CA -0.176 58.150 58.200 0.210 0.000 1.063 267 S CB 0.473 63.899 63.200 0.378 0.000 0.848 267 S HN 0.189 nan 8.310 nan 0.000 0.499 268 D N 3.704 124.183 120.400 0.132 0.000 2.342 268 D HA 0.123 4.764 4.640 0.001 0.000 0.260 268 D C 1.004 177.241 176.300 -0.106 0.000 1.278 268 D CA 0.109 54.118 54.000 0.016 0.000 0.910 268 D CB 0.540 41.358 40.800 0.030 0.000 1.079 268 D HN 0.592 nan 8.370 nan 0.000 0.496 269 K N 1.269 121.422 120.400 -0.413 0.000 2.152 269 K HA -0.095 4.225 4.320 0.001 0.000 0.206 269 K C 1.633 177.883 176.600 -0.583 0.000 1.048 269 K CA 0.825 56.483 56.287 -1.048 0.000 0.933 269 K CB 0.132 32.061 32.500 -0.951 0.000 0.721 269 K HN 0.226 nan 8.250 nan 0.000 0.447 270 S N 0.658 116.204 115.700 -0.256 0.000 2.603 270 S HA 0.018 4.489 4.470 0.001 0.000 0.229 270 S C 1.246 175.843 174.600 -0.006 0.000 0.972 270 S CA 0.715 58.848 58.200 -0.112 0.000 0.935 270 S CB 0.113 63.269 63.200 -0.073 0.000 0.769 270 S HN 0.189 nan 8.310 nan 0.000 0.536 271 K N -0.254 120.175 120.400 0.049 0.000 2.361 271 K HA 0.101 4.422 4.320 0.001 0.000 0.194 271 K C -0.264 176.525 176.600 0.315 0.000 1.032 271 K CA -0.042 56.342 56.287 0.161 0.000 1.048 271 K CB 0.090 32.690 32.500 0.166 0.000 0.842 271 K HN 0.308 nan 8.250 nan 0.000 0.526 272 W N 2.097 123.427 121.300 0.050 0.000 2.193 272 W HA 0.124 4.785 4.660 0.002 0.000 0.338 272 W C 0.691 177.271 176.519 0.101 0.000 1.310 272 W CA -0.512 56.882 57.345 0.082 0.000 1.243 272 W CB -0.235 29.264 29.460 0.066 0.000 1.165 272 W HN -0.137 nan 8.180 nan 0.000 0.566 273 L N 2.639 124.076 121.223 0.357 0.000 2.352 273 L HA 0.524 4.865 4.340 0.001 0.000 0.269 273 L C 1.003 178.085 176.870 0.354 0.000 1.034 273 L CA -0.983 54.023 54.840 0.277 0.000 0.806 273 L CB 1.208 43.372 42.059 0.175 0.000 1.244 273 L HN 0.418 nan 8.230 nan 0.000 0.447 274 T N -2.151 112.560 114.554 0.262 0.000 2.881 274 T HA 0.294 4.644 4.350 0.001 0.000 0.278 274 T C 1.214 176.078 174.700 0.273 0.000 0.982 274 T CA -0.108 62.158 62.100 0.276 0.000 0.989 274 T CB 1.513 70.480 68.868 0.165 0.000 1.058 274 T HN 0.680 nan 8.240 nan 0.000 0.529 275 G N 0.877 109.837 108.800 0.265 0.000 2.459 275 G HA2 -0.088 3.873 3.960 0.001 0.000 0.217 275 G HA3 -0.088 3.873 3.960 0.001 0.000 0.217 275 G C -0.897 174.041 174.900 0.062 0.000 1.183 275 G CA 0.676 45.848 45.100 0.120 0.000 0.776 275 G HN 0.641 nan 8.290 nan 0.000 0.552 276 P HA -0.068 nan 4.420 nan 0.000 0.216 276 P C 1.930 179.315 177.300 0.141 0.000 1.150 276 P CA 1.260 64.423 63.100 0.105 0.000 0.837 276 P CB -0.018 31.675 31.700 -0.011 0.000 0.786 277 Q N -1.203 118.656 119.800 0.098 0.000 2.079 277 Q HA -0.141 4.200 4.340 0.001 0.000 0.200 277 Q C 2.056 178.057 176.000 0.001 0.000 0.974 277 Q CA 0.991 56.837 55.803 0.071 0.000 0.840 277 Q CB -0.817 27.970 28.738 0.081 0.000 0.898 277 Q HN 0.150 nan 8.270 nan 0.000 0.430 278 L N 0.734 121.925 121.223 -0.053 0.000 2.046 278 L HA -0.104 4.237 4.340 0.001 0.000 0.208 278 L C 2.128 178.712 176.870 -0.477 0.000 1.077 278 L CA 2.045 56.687 54.840 -0.329 0.000 0.747 278 L CB -0.907 40.888 42.059 -0.440 0.000 0.896 278 L HN 0.136 nan 8.230 nan 0.000 0.432 279 A N -0.647 122.129 122.820 -0.073 0.000 1.908 279 A HA -0.255 4.066 4.320 0.001 0.000 0.218 279 A C 2.000 179.697 177.584 0.187 0.000 1.181 279 A CA 2.019 54.116 52.037 0.100 0.000 0.627 279 A CB -0.914 18.350 19.000 0.439 0.000 0.818 279 A HN 0.566 nan 8.150 nan 0.000 0.445 280 D N -0.372 120.148 120.400 0.199 0.000 2.178 280 D HA -0.126 4.515 4.640 0.001 0.000 0.201 280 D C 1.872 178.256 176.300 0.139 0.000 0.980 280 D CA 0.922 55.062 54.000 0.235 0.000 0.842 280 D CB -0.291 40.598 40.800 0.149 0.000 0.948 280 D HN 0.475 nan 8.370 nan 0.000 0.472 281 L N -0.144 121.061 121.223 -0.031 0.000 2.056 281 L HA -0.210 4.131 4.340 0.001 0.000 0.207 281 L C 2.284 179.169 176.870 0.024 0.000 1.078 281 L CA 1.025 55.828 54.840 -0.060 0.000 0.749 281 L CB -0.156 41.777 42.059 -0.210 0.000 0.901 281 L HN -0.013 nan 8.230 nan 0.000 0.433 282 Y N -0.541 119.726 120.300 -0.054 0.000 2.128 282 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 282 Y C 2.841 178.756 175.900 0.025 0.000 1.154 282 Y CA 1.164 59.204 58.100 -0.100 0.000 1.149 282 Y CB -1.136 37.120 38.460 -0.339 0.000 0.976 282 Y HN 0.284 nan 8.280 nan 0.000 0.505 283 H N -0.863 118.403 119.070 0.327 0.000 2.352 283 H HA -0.119 4.438 4.556 0.001 0.000 0.299 283 H C 2.352 177.772 175.328 0.152 0.000 1.097 283 H CA 1.616 57.802 56.048 0.230 0.000 1.311 283 H CB -0.368 29.506 29.762 0.187 0.000 1.377 283 H HN 0.258 nan 8.280 nan 0.000 0.504 284 S N 0.526 116.377 115.700 0.252 0.000 2.368 284 S HA -0.082 4.389 4.470 0.001 0.000 0.225 284 S C 2.503 177.206 174.600 0.172 0.000 1.030 284 S CA 0.705 59.005 58.200 0.168 0.000 0.999 284 S CB -0.213 63.065 63.200 0.131 0.000 0.844 284 S HN 0.255 nan 8.310 nan 0.000 0.459 285 L N 0.649 122.006 121.223 0.224 0.000 2.072 285 L HA -0.034 4.307 4.340 0.001 0.000 0.205 285 L C 2.471 179.516 176.870 0.292 0.000 1.079 285 L CA 1.053 56.085 54.840 0.321 0.000 0.752 285 L CB -0.528 41.712 42.059 0.302 0.000 0.906 285 L HN 0.318 nan 8.230 nan 0.000 0.436 286 M N -0.424 119.305 119.600 0.215 0.000 2.267 286 M HA -0.238 4.243 4.480 0.001 0.000 0.263 286 M C 2.218 178.593 176.300 0.124 0.000 1.063 286 M CA 1.652 57.051 55.300 0.165 0.000 1.090 286 M CB -0.250 32.438 32.600 0.147 0.000 1.392 286 M HN 0.117 nan 8.290 nan 0.000 0.422 287 K N -0.377 120.087 120.400 0.105 0.000 2.314 287 K HA -0.003 4.318 4.320 0.001 0.000 0.198 287 K C 1.869 178.447 176.600 -0.036 0.000 1.045 287 K CA 0.480 56.793 56.287 0.043 0.000 0.988 287 K CB 0.371 32.899 32.500 0.047 0.000 0.783 287 K HN 0.138 nan 8.250 nan 0.000 0.484 288 R N -0.583 119.853 120.500 -0.107 0.000 2.237 288 R HA 0.110 4.451 4.340 0.001 0.000 0.195 288 R C -0.091 175.828 176.300 -0.635 0.000 0.956 288 R CA 0.492 56.348 56.100 -0.407 0.000 1.029 288 R CB 0.373 30.308 30.300 -0.607 0.000 0.972 288 R HN 0.059 nan 8.270 nan 0.000 0.493 289 Y N 0.250 120.585 120.300 0.058 0.000 2.570 289 Y HA 0.346 4.897 4.550 0.001 0.000 0.345 289 Y C -1.850 174.080 175.900 0.051 0.000 1.014 289 Y CA -2.884 55.250 58.100 0.057 0.000 1.063 289 Y CB 1.374 39.878 38.460 0.072 0.000 1.272 289 Y HN -0.138 nan 8.280 nan 0.000 0.477 290 P HA 0.159 nan 4.420 nan 0.000 0.228 290 P C -0.520 176.849 177.300 0.115 0.000 1.748 290 P CA 0.498 63.673 63.100 0.125 0.000 0.909 290 P CB -0.582 31.176 31.700 0.097 0.000 1.882 291 I N 1.269 121.918 120.570 0.131 0.000 2.452 291 I HA -0.004 4.167 4.170 0.001 0.000 0.287 291 I C 1.691 177.862 176.117 0.090 0.000 1.079 291 I CA -0.214 61.146 61.300 0.100 0.000 1.387 291 I CB 1.418 39.476 38.000 0.098 0.000 1.404 291 I HN -0.032 nan 8.210 nan 0.000 0.522 292 V N 1.507 121.484 119.914 0.105 0.000 3.477 292 V HA 0.341 4.462 4.120 0.001 0.000 0.297 292 V C 0.358 176.570 176.094 0.196 0.000 1.433 292 V CA -0.069 62.330 62.300 0.165 0.000 1.052 292 V CB 0.267 32.239 31.823 0.249 0.000 0.895 292 V HN 0.660 nan 8.190 nan 0.000 0.438 293 S N 0.622 116.397 115.700 0.124 0.000 2.543 293 S HA 0.768 5.238 4.470 0.001 0.000 0.273 293 S C -1.666 172.919 174.600 -0.025 0.000 1.152 293 S CA -0.454 57.791 58.200 0.074 0.000 0.910 293 S CB 1.782 65.035 63.200 0.089 0.000 1.105 293 S HN 0.219 nan 8.310 nan 0.000 0.465 294 I N 3.573 124.096 120.570 -0.079 0.000 2.478 294 I HA 0.449 4.620 4.170 0.001 0.000 0.287 294 I C -0.052 175.948 176.117 -0.196 0.000 1.042 294 I CA -0.425 60.756 61.300 -0.197 0.000 1.067 294 I CB 1.667 39.495 38.000 -0.286 0.000 1.233 294 I HN 0.767 nan 8.210 nan 0.000 0.431 295 E N 5.480 125.550 120.200 -0.218 0.000 2.179 295 E HA 0.206 4.556 4.350 0.001 0.000 0.275 295 E C -0.727 175.750 176.600 -0.206 0.000 0.945 295 E CA -0.361 55.953 56.400 -0.145 0.000 0.792 295 E CB 0.949 30.589 29.700 -0.101 0.000 1.125 295 E HN 0.468 nan 8.360 nan 0.000 0.397 296 D N 4.190 124.550 120.400 -0.066 0.000 2.704 296 D HA -0.155 4.486 4.640 0.001 0.000 0.232 296 D C -1.730 174.251 176.300 -0.532 0.000 1.183 296 D CA 0.481 54.432 54.000 -0.081 0.000 0.647 296 D CB -0.437 40.363 40.800 0.000 0.000 1.013 296 D HN 0.480 nan 8.370 nan 0.000 0.415 297 P HA -0.150 nan 4.420 nan 0.000 0.219 297 P C 0.375 176.702 177.300 -1.621 0.000 1.146 297 P CA 1.122 63.397 63.100 -1.375 0.000 0.808 297 P CB 0.217 30.885 31.700 -1.720 0.000 0.779 298 F N -0.782 118.615 119.950 -0.921 0.000 2.620 298 F HA 0.612 5.139 4.527 0.001 0.000 0.320 298 F C 0.694 176.424 175.800 -0.115 0.000 1.069 298 F CA -1.650 56.008 58.000 -0.570 0.000 0.953 298 F CB 0.296 38.857 39.000 -0.732 0.000 1.322 298 F HN -0.203 nan 8.300 nan 0.000 0.479 299 A N 0.536 123.378 122.820 0.036 0.000 2.577 299 A HA 0.078 4.399 4.320 0.001 0.000 0.233 299 A C 1.361 178.902 177.584 -0.073 0.000 1.076 299 A CA 0.257 52.113 52.037 -0.302 0.000 0.767 299 A CB -0.173 18.044 19.000 -1.304 0.000 1.017 299 A HN 0.949 nan 8.150 nan 0.000 0.511 300 E N -0.111 119.989 120.200 -0.167 0.000 2.463 300 E HA -0.155 4.195 4.350 0.001 0.000 0.201 300 E C -0.458 175.923 176.600 -0.365 0.000 1.045 300 E CA 1.458 57.741 56.400 -0.195 0.000 0.872 300 E CB -0.006 29.639 29.700 -0.093 0.000 0.797 300 E HN 0.649 nan 8.360 nan 0.000 0.538 301 D N 0.454 120.631 120.400 -0.372 0.000 2.562 301 D HA 0.005 4.646 4.640 0.001 0.000 0.246 301 D C -0.492 175.552 176.300 -0.427 0.000 1.347 301 D CA -0.093 53.637 54.000 -0.450 0.000 0.800 301 D CB 0.361 41.131 40.800 -0.050 0.000 1.111 301 D HN 0.010 nan 8.370 nan 0.000 0.508 302 D N 0.085 120.286 120.400 -0.331 0.000 2.845 302 D HA 0.036 4.677 4.640 0.001 0.000 0.235 302 D C 1.068 177.423 176.300 0.092 0.000 1.158 302 D CA -0.374 53.584 54.000 -0.070 0.000 0.990 302 D CB -0.386 40.367 40.800 -0.077 0.000 1.094 302 D HN 0.127 nan 8.370 nan 0.000 0.486 303 W N 0.825 122.202 121.300 0.129 0.000 2.304 303 W HA -0.204 4.456 4.660 0.001 0.000 0.315 303 W C 2.122 178.745 176.519 0.174 0.000 1.233 303 W CA 0.817 58.227 57.345 0.108 0.000 1.261 303 W CB -0.162 29.311 29.460 0.022 0.000 1.150 303 W HN 0.297 nan 8.180 nan 0.000 0.494 304 E N 0.023 120.426 120.200 0.339 0.000 2.070 304 E HA -0.266 4.085 4.350 0.001 0.000 0.197 304 E C 2.340 179.032 176.600 0.153 0.000 1.004 304 E CA 1.465 57.998 56.400 0.222 0.000 0.805 304 E CB -0.607 29.183 29.700 0.151 0.000 0.744 304 E HN 0.308 nan 8.360 nan 0.000 0.451 305 A N 0.637 123.477 122.820 0.033 0.000 1.902 305 A HA -0.184 4.136 4.320 0.001 0.000 0.217 305 A C 1.743 179.064 177.584 -0.438 0.000 1.181 305 A CA 1.331 53.135 52.037 -0.389 0.000 0.623 305 A CB -0.940 17.648 19.000 -0.687 0.000 0.818 305 A HN 0.334 nan 8.150 nan 0.000 0.443 306 W N 0.438 121.655 121.300 -0.138 0.000 2.355 306 W HA -0.090 4.571 4.660 0.001 0.000 0.309 306 W C 2.885 179.549 176.519 0.241 0.000 1.206 306 W CA 1.613 59.056 57.345 0.163 0.000 1.284 306 W CB -0.757 28.819 29.460 0.192 0.000 1.145 306 W HN 0.255 nan 8.180 nan 0.000 0.502 307 S N -0.981 114.991 115.700 0.455 0.000 2.359 307 S HA -0.315 4.156 4.470 0.001 0.000 0.224 307 S C 1.538 176.337 174.600 0.332 0.000 1.035 307 S CA 1.873 60.292 58.200 0.365 0.000 1.018 307 S CB -0.842 62.531 63.200 0.290 0.000 0.876 307 S HN 0.424 nan 8.310 nan 0.000 0.448 308 H N 0.712 119.892 119.070 0.184 0.000 2.319 308 H HA -0.108 4.449 4.556 0.001 0.000 0.299 308 H C 1.854 177.315 175.328 0.221 0.000 1.092 308 H CA 1.954 58.090 56.048 0.148 0.000 1.302 308 H CB -0.595 29.208 29.762 0.068 0.000 1.373 308 H HN 0.353 nan 8.280 nan 0.000 0.497 309 F N -0.034 119.885 119.950 -0.051 0.000 2.102 309 F HA -0.140 4.388 4.527 0.001 0.000 0.298 309 F C 2.155 177.999 175.800 0.074 0.000 1.105 309 F CA 1.372 59.369 58.000 -0.006 0.000 1.239 309 F CB -1.072 38.057 39.000 0.215 0.000 0.991 309 F HN 0.254 nan 8.300 nan 0.000 0.474 310 F N 1.520 121.474 119.950 0.008 0.000 2.236 310 F HA -0.223 4.305 4.527 0.001 0.000 0.302 310 F C 2.175 177.893 175.800 -0.136 0.000 1.073 310 F CA 1.696 59.638 58.000 -0.098 0.000 1.336 310 F CB -0.549 38.496 39.000 0.075 0.000 1.040 310 F HN -0.058 nan 8.300 nan 0.000 0.507 311 K N -0.948 119.416 120.400 -0.061 0.000 2.074 311 K HA -0.173 4.148 4.320 0.001 0.000 0.209 311 K C 1.366 177.823 176.600 -0.239 0.000 1.048 311 K CA 1.928 58.148 56.287 -0.111 0.000 0.926 311 K CB -0.468 32.006 32.500 -0.044 0.000 0.713 311 K HN 0.418 nan 8.250 nan 0.000 0.444 312 T N -3.507 110.874 114.554 -0.289 0.000 3.288 312 T HA 0.470 4.821 4.350 0.001 0.000 0.293 312 T C 1.170 175.701 174.700 -0.281 0.000 1.008 312 T CA 0.007 61.958 62.100 -0.248 0.000 0.929 312 T CB 0.857 69.616 68.868 -0.181 0.000 1.152 312 T HN 0.088 nan 8.240 nan 0.000 0.517 313 A N 2.204 124.681 122.820 -0.572 0.000 1.834 313 A HA 0.419 4.739 4.320 0.001 0.000 0.216 313 A C 2.410 179.770 177.584 -0.372 0.000 1.203 313 A CA 1.915 53.529 52.037 -0.706 0.000 0.621 313 A CB -1.416 17.104 19.000 -0.800 0.000 0.841 313 A HN 1.626 nan 8.150 nan 0.000 0.446 314 G N -1.463 107.113 108.800 -0.374 0.000 2.241 314 G HA2 -0.229 3.732 3.960 0.001 0.000 0.244 314 G HA3 -0.229 3.732 3.960 0.001 0.000 0.244 314 G C 0.392 175.174 174.900 -0.198 0.000 0.998 314 G CA 0.670 45.627 45.100 -0.239 0.000 0.621 314 G HN 1.612 nan 8.290 nan 0.000 0.519 315 I N -2.547 117.901 120.570 -0.203 0.000 3.206 315 I HA 0.763 4.933 4.170 0.001 0.000 0.313 315 I C 0.140 176.167 176.117 -0.150 0.000 1.103 315 I CA -1.395 59.822 61.300 -0.139 0.000 0.985 315 I CB 1.548 39.517 38.000 -0.051 0.000 1.240 315 I HN 0.091 nan 8.210 nan 0.000 0.464 316 Q N 2.288 122.015 119.800 -0.122 0.000 2.274 316 Q HA 0.226 4.567 4.340 0.001 0.000 0.280 316 Q C -1.314 174.683 176.000 -0.005 0.000 1.047 316 Q CA -0.041 55.704 55.803 -0.097 0.000 0.907 316 Q CB 0.674 29.421 28.738 0.016 0.000 1.171 316 Q HN 0.503 nan 8.270 nan 0.000 0.381 317 I N 5.886 126.477 120.570 0.036 0.000 2.359 317 I HA 0.228 4.399 4.170 0.001 0.000 0.284 317 I C -0.477 175.666 176.117 0.043 0.000 1.018 317 I CA -0.648 60.702 61.300 0.084 0.000 1.173 317 I CB 1.071 39.225 38.000 0.257 0.000 1.326 317 I HN 0.414 nan 8.210 nan 0.000 0.462 318 V N 5.534 125.472 119.914 0.041 0.000 2.465 318 V HA 0.599 4.720 4.120 0.001 0.000 0.279 318 V C 0.721 176.919 176.094 0.172 0.000 1.045 318 V CA -0.688 61.638 62.300 0.044 0.000 0.938 318 V CB 1.395 33.210 31.823 -0.014 0.000 0.986 318 V HN 0.826 nan 8.190 nan 0.000 0.467 319 A N 2.973 125.872 122.820 0.131 0.000 2.274 319 A HA 0.612 4.932 4.320 0.001 0.000 0.309 319 A C 0.221 177.847 177.584 0.070 0.000 1.226 319 A CA -0.270 51.831 52.037 0.108 0.000 0.853 319 A CB 0.910 19.889 19.000 -0.035 0.000 1.146 319 A HN 0.892 nan 8.150 nan 0.000 0.518 320 D N 0.818 121.258 120.400 0.067 0.000 3.136 320 D HA 0.001 4.642 4.640 0.001 0.000 0.254 320 D C 0.652 176.952 176.300 0.000 0.000 1.563 320 D CA 0.581 54.599 54.000 0.030 0.000 1.225 320 D CB 0.234 41.052 40.800 0.029 0.000 1.079 320 D HN 0.378 nan 8.370 nan 0.000 0.314 321 D N 0.354 120.753 120.400 -0.002 0.000 2.269 321 D HA -0.072 4.568 4.640 0.001 0.000 0.208 321 D C 2.080 178.343 176.300 -0.061 0.000 0.963 321 D CA 0.241 54.228 54.000 -0.022 0.000 0.864 321 D CB 0.058 40.840 40.800 -0.031 0.000 0.936 321 D HN 0.184 nan 8.370 nan 0.000 0.505 322 L N 0.919 122.047 121.223 -0.160 0.000 2.046 322 L HA -0.147 4.193 4.340 0.001 0.000 0.208 322 L C 2.144 178.867 176.870 -0.245 0.000 1.077 322 L CA 1.990 56.584 54.840 -0.409 0.000 0.747 322 L CB -0.638 40.869 42.059 -0.920 0.000 0.896 322 L HN 0.073 nan 8.230 nan 0.000 0.432 323 T N -4.038 110.442 114.554 -0.124 0.000 3.015 323 T HA 0.116 4.467 4.350 0.001 0.000 0.250 323 T C 1.003 175.694 174.700 -0.015 0.000 1.057 323 T CA 0.402 62.482 62.100 -0.033 0.000 1.066 323 T CB -0.589 68.287 68.868 0.013 0.000 0.959 323 T HN 0.639 nan 8.240 nan 0.000 0.488 324 V N 0.626 120.536 119.914 -0.006 0.000 4.931 324 V HA -0.270 3.851 4.120 0.001 0.000 0.254 324 V C 0.389 176.482 176.094 -0.001 0.000 0.620 324 V CA 0.845 63.150 62.300 0.008 0.000 0.715 324 V CB -3.526 28.319 31.823 0.035 0.000 0.589 324 V HN 0.758 nan 8.190 nan 0.000 0.982 325 T N -1.226 113.325 114.554 -0.006 0.000 3.897 325 T HA -0.262 4.088 4.350 0.001 0.000 0.353 325 T C 0.207 174.890 174.700 -0.029 0.000 0.758 325 T CA 1.551 63.641 62.100 -0.016 0.000 1.883 325 T CB -1.593 67.272 68.868 -0.006 0.000 1.849 325 T HN 1.368 nan 8.240 nan 0.000 0.791 326 N N 0.634 119.312 118.700 -0.036 0.000 2.479 326 N HA 0.328 5.069 4.740 0.001 0.000 0.261 326 N C -1.818 173.647 175.510 -0.075 0.000 0.979 326 N CA -2.390 50.633 53.050 -0.046 0.000 0.930 326 N CB 2.130 40.596 38.487 -0.035 0.000 1.172 326 N HN -0.095 nan 8.380 nan 0.000 0.499 327 P HA -0.172 nan 4.420 nan 0.000 0.217 327 P C 0.838 178.063 177.300 -0.124 0.000 1.151 327 P CA 1.654 64.684 63.100 -0.117 0.000 0.849 327 P CB 0.476 32.118 31.700 -0.096 0.000 0.787 328 K N -0.631 119.710 120.400 -0.099 0.000 2.026 328 K HA -0.108 4.213 4.320 0.001 0.000 0.208 328 K C 2.234 178.765 176.600 -0.115 0.000 1.048 328 K CA 1.339 57.565 56.287 -0.103 0.000 0.929 328 K CB -0.266 32.184 32.500 -0.084 0.000 0.713 328 K HN 0.108 nan 8.250 nan 0.000 0.439 329 R N 0.477 120.924 120.500 -0.089 0.000 2.115 329 R HA 0.013 4.354 4.340 0.001 0.000 0.226 329 R C 2.305 178.574 176.300 -0.051 0.000 1.100 329 R CA 0.854 56.927 56.100 -0.045 0.000 0.980 329 R CB -0.224 30.071 30.300 -0.008 0.000 0.875 329 R HN 0.191 nan 8.270 nan 0.000 0.445 330 I N 0.716 121.213 120.570 -0.121 0.000 2.226 330 I HA -0.244 3.927 4.170 0.001 0.000 0.245 330 I C 2.570 178.499 176.117 -0.314 0.000 1.100 330 I CA 1.164 62.323 61.300 -0.235 0.000 1.374 330 I CB -0.365 37.443 38.000 -0.320 0.000 1.057 330 I HN 0.165 nan 8.210 nan 0.000 0.413 331 A N 0.263 122.928 122.820 -0.259 0.000 1.940 331 A HA -0.208 4.113 4.320 0.001 0.000 0.219 331 A C 2.368 179.807 177.584 -0.241 0.000 1.176 331 A CA 2.436 54.324 52.037 -0.249 0.000 0.631 331 A CB -1.017 17.867 19.000 -0.193 0.000 0.814 331 A HN 0.387 nan 8.150 nan 0.000 0.446 332 T N 0.138 114.535 114.554 -0.262 0.000 2.737 332 T HA 0.028 4.378 4.350 0.001 0.000 0.265 332 T C 2.267 176.719 174.700 -0.413 0.000 1.038 332 T CA 1.480 63.337 62.100 -0.405 0.000 1.144 332 T CB -0.453 68.069 68.868 -0.577 0.000 0.866 332 T HN 0.599 nan 8.240 nan 0.000 0.434 333 A N 1.156 123.861 122.820 -0.192 0.000 1.908 333 A HA -0.055 4.266 4.320 0.001 0.000 0.218 333 A C 2.275 179.952 177.584 0.155 0.000 1.181 333 A CA 1.278 53.397 52.037 0.137 0.000 0.627 333 A CB -0.822 18.426 19.000 0.413 0.000 0.818 333 A HN 0.529 nan 8.150 nan 0.000 0.445 334 I N -0.769 119.804 120.570 0.005 0.000 2.142 334 I HA -0.232 3.938 4.170 0.001 0.000 0.240 334 I C 2.666 178.786 176.117 0.006 0.000 1.078 334 I CA 1.651 62.966 61.300 0.025 0.000 1.343 334 I CB -0.379 37.484 38.000 -0.228 0.000 1.046 334 I HN 0.410 nan 8.210 nan 0.000 0.405 335 E N 1.812 121.961 120.200 -0.086 0.000 2.085 335 E HA -0.241 4.109 4.350 0.001 0.000 0.194 335 E C 1.789 178.353 176.600 -0.060 0.000 0.994 335 E CA 1.500 57.849 56.400 -0.086 0.000 0.801 335 E CB 0.044 29.657 29.700 -0.144 0.000 0.743 335 E HN 0.466 nan 8.360 nan 0.000 0.453 336 K N 0.362 120.710 120.400 -0.086 0.000 2.444 336 K HA 0.048 4.368 4.320 0.001 0.000 0.193 336 K C 0.011 176.652 176.600 0.069 0.000 1.024 336 K CA -0.005 56.266 56.287 -0.027 0.000 1.077 336 K CB 0.201 32.645 32.500 -0.093 0.000 0.833 336 K HN 0.031 nan 8.250 nan 0.000 0.517 337 K N -0.223 120.211 120.400 0.055 0.000 3.278 337 K HA -0.243 4.078 4.320 0.001 0.000 0.270 337 K C 0.566 177.102 176.600 -0.106 0.000 0.955 337 K CA 0.226 56.503 56.287 -0.016 0.000 0.723 337 K CB -1.441 31.117 32.500 0.097 0.000 1.382 337 K HN 0.337 nan 8.250 nan 0.000 0.461 338 A N -0.089 122.740 122.820 0.015 0.000 2.021 338 A HA 0.455 4.775 4.320 0.001 0.000 0.216 338 A C 0.865 178.478 177.584 0.048 0.000 1.163 338 A CA 1.348 53.498 52.037 0.189 0.000 0.676 338 A CB 0.265 19.456 19.000 0.319 0.000 0.818 338 A HN 0.728 nan 8.150 nan 0.000 0.453 339 A N -0.734 121.802 122.820 -0.474 0.000 2.493 339 A HA 0.550 4.871 4.320 0.001 0.000 0.300 339 A C -1.464 175.284 177.584 -1.395 0.000 1.152 339 A CA 0.208 51.838 52.037 -0.678 0.000 0.643 339 A CB 0.263 19.104 19.000 -0.264 0.000 1.316 339 A HN 0.294 nan 8.150 nan 0.000 0.469 340 D N -1.321 118.419 120.400 -1.100 0.000 2.692 340 D HA 0.564 5.204 4.640 0.001 0.000 0.290 340 D C -0.325 175.533 176.300 -0.735 0.000 1.455 340 D CA 0.662 53.918 54.000 -1.240 0.000 0.796 340 D CB 0.522 41.200 40.800 -0.203 0.000 1.131 340 D HN 1.421 nan 8.370 nan 0.000 0.467 341 A N 0.080 122.460 122.820 -0.735 0.000 2.555 341 A HA 0.577 4.898 4.320 0.001 0.000 0.297 341 A C -2.096 175.532 177.584 0.073 0.000 1.060 341 A CA -0.921 51.062 52.037 -0.091 0.000 0.710 341 A CB 1.304 20.312 19.000 0.015 0.000 1.282 341 A HN 0.202 nan 8.150 nan 0.000 0.399 342 L N 2.017 123.373 121.223 0.222 0.000 2.307 342 L HA 0.791 5.132 4.340 0.001 0.000 0.284 342 L C -0.994 175.915 176.870 0.064 0.000 1.023 342 L CA -0.685 54.266 54.840 0.186 0.000 0.810 342 L CB 1.436 43.584 42.059 0.149 0.000 1.231 342 L HN 0.718 nan 8.230 nan 0.000 0.423 343 L N 5.840 127.094 121.223 0.050 0.000 2.260 343 L HA 0.435 4.775 4.340 0.001 0.000 0.289 343 L C -0.861 176.025 176.870 0.027 0.000 1.057 343 L CA 0.134 54.989 54.840 0.024 0.000 0.811 343 L CB 0.866 42.937 42.059 0.020 0.000 1.184 343 L HN 0.716 nan 8.230 nan 0.000 0.429 344 L N 6.208 127.447 121.223 0.027 0.000 2.255 344 L HA 0.428 4.769 4.340 0.001 0.000 0.289 344 L C -0.636 176.263 176.870 0.049 0.000 1.046 344 L CA -0.298 54.559 54.840 0.030 0.000 0.816 344 L CB 0.120 42.195 42.059 0.027 0.000 1.197 344 L HN 0.634 nan 8.230 nan 0.000 0.427 345 K N 4.452 124.875 120.400 0.038 0.000 2.507 345 K HA 0.173 4.494 4.320 0.001 0.000 0.253 345 K C 0.983 177.598 176.600 0.025 0.000 0.969 345 K CA -0.434 55.877 56.287 0.040 0.000 0.908 345 K CB 1.880 34.394 32.500 0.024 0.000 1.127 345 K HN 0.592 nan 8.250 nan 0.000 0.437 346 V N 0.333 120.268 119.914 0.034 0.000 2.380 346 V HA -0.316 3.805 4.120 0.001 0.000 0.251 346 V C 1.660 177.740 176.094 -0.023 0.000 1.063 346 V CA 2.080 64.383 62.300 0.005 0.000 1.055 346 V CB -0.553 31.258 31.823 -0.021 0.000 0.657 346 V HN 0.887 nan 8.190 nan 0.000 0.455 347 N N 0.160 118.845 118.700 -0.024 0.000 2.521 347 N HA -0.120 4.621 4.740 0.001 0.000 0.188 347 N C 1.690 177.184 175.510 -0.026 0.000 1.146 347 N CA 1.130 54.159 53.050 -0.035 0.000 0.893 347 N CB -0.168 38.294 38.487 -0.041 0.000 0.975 347 N HN 0.723 nan 8.380 nan 0.000 0.451 348 Q N -0.322 119.469 119.800 -0.015 0.000 2.269 348 Q HA 0.061 4.402 4.340 0.001 0.000 0.201 348 Q C 1.325 177.319 176.000 -0.010 0.000 0.946 348 Q CA 0.709 56.505 55.803 -0.011 0.000 0.877 348 Q CB 0.268 29.005 28.738 -0.003 0.000 0.963 348 Q HN 0.334 nan 8.270 nan 0.000 0.472 349 I N -1.721 118.841 120.570 -0.013 0.000 3.445 349 I HA 0.173 4.344 4.170 0.001 0.000 0.288 349 I C 1.210 177.316 176.117 -0.019 0.000 1.198 349 I CA 1.519 62.810 61.300 -0.014 0.000 1.417 349 I CB 0.780 38.772 38.000 -0.014 0.000 1.205 349 I HN 0.220 nan 8.210 nan 0.000 0.448 350 G N 0.026 108.811 108.800 -0.025 0.000 2.278 350 G HA2 -0.179 3.782 3.960 0.001 0.000 0.210 350 G HA3 -0.179 3.782 3.960 0.001 0.000 0.210 350 G C 0.555 175.435 174.900 -0.033 0.000 1.000 350 G CA 0.271 45.352 45.100 -0.032 0.000 0.635 350 G HN 0.736 nan 8.290 nan 0.000 0.495 351 T N -1.893 112.647 114.554 -0.023 0.000 2.903 351 T HA 0.656 5.007 4.350 0.001 0.000 0.299 351 T C 0.978 175.672 174.700 -0.010 0.000 1.093 351 T CA 0.094 62.185 62.100 -0.016 0.000 1.002 351 T CB 2.157 71.030 68.868 0.008 0.000 1.127 351 T HN 0.952 nan 8.240 nan 0.000 0.488 352 L N 2.052 123.271 121.223 -0.007 0.000 2.046 352 L HA 0.055 4.396 4.340 0.001 0.000 0.208 352 L C 2.537 179.435 176.870 0.046 0.000 1.077 352 L CA 2.019 56.877 54.840 0.030 0.000 0.747 352 L CB -1.214 40.881 42.059 0.060 0.000 0.896 352 L HN 0.849 nan 8.230 nan 0.000 0.432 353 S N -0.361 115.362 115.700 0.038 0.000 2.359 353 S HA -0.209 4.262 4.470 0.001 0.000 0.224 353 S C 1.781 176.390 174.600 0.015 0.000 1.035 353 S CA 1.638 59.856 58.200 0.030 0.000 1.018 353 S CB -0.335 62.883 63.200 0.030 0.000 0.876 353 S HN 0.571 nan 8.310 nan 0.000 0.448 354 E N 0.864 121.069 120.200 0.008 0.000 2.150 354 E HA -0.061 4.290 4.350 0.001 0.000 0.193 354 E C 2.222 178.817 176.600 -0.009 0.000 0.985 354 E CA 1.107 57.503 56.400 -0.006 0.000 0.814 354 E CB -0.101 29.593 29.700 -0.011 0.000 0.752 354 E HN 0.331 nan 8.360 nan 0.000 0.466 355 S N 0.771 116.475 115.700 0.006 0.000 2.368 355 S HA -0.091 4.380 4.470 0.001 0.000 0.224 355 S C 2.020 176.628 174.600 0.014 0.000 1.029 355 S CA 0.697 58.904 58.200 0.013 0.000 0.988 355 S CB -0.097 63.128 63.200 0.041 0.000 0.838 355 S HN 0.203 nan 8.310 nan 0.000 0.462 356 I N 1.303 121.892 120.570 0.031 0.000 2.226 356 I HA -0.189 3.982 4.170 0.001 0.000 0.245 356 I C 2.490 178.612 176.117 0.008 0.000 1.100 356 I CA 1.132 62.454 61.300 0.036 0.000 1.374 356 I CB -0.237 37.789 38.000 0.043 0.000 1.057 356 I HN 0.186 nan 8.210 nan 0.000 0.413 357 K N 1.754 122.149 120.400 -0.008 0.000 2.026 357 K HA -0.145 4.175 4.320 0.001 0.000 0.208 357 K C 2.068 178.629 176.600 -0.066 0.000 1.048 357 K CA 1.815 58.084 56.287 -0.030 0.000 0.929 357 K CB -0.445 32.035 32.500 -0.033 0.000 0.713 357 K HN 0.259 nan 8.250 nan 0.000 0.439 358 A N 0.601 123.376 122.820 -0.074 0.000 1.908 358 A HA -0.115 4.206 4.320 0.001 0.000 0.218 358 A C 2.404 179.885 177.584 -0.172 0.000 1.181 358 A CA 2.280 54.247 52.037 -0.117 0.000 0.627 358 A CB -1.208 17.739 19.000 -0.088 0.000 0.818 358 A HN 0.464 nan 8.150 nan 0.000 0.445 359 A N -0.699 122.030 122.820 -0.152 0.000 1.877 359 A HA -0.231 4.089 4.320 0.001 0.000 0.216 359 A C 2.139 179.537 177.584 -0.310 0.000 1.186 359 A CA 1.746 53.610 52.037 -0.288 0.000 0.620 359 A CB -0.671 18.264 19.000 -0.109 0.000 0.822 359 A HN 0.665 nan 8.150 nan 0.000 0.443 360 Q N -0.482 119.286 119.800 -0.053 0.000 2.050 360 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 360 Q C 1.607 177.588 176.000 -0.030 0.000 0.980 360 Q CA 1.506 57.343 55.803 0.058 0.000 0.840 360 Q CB -0.308 28.459 28.738 0.049 0.000 0.898 360 Q HN 0.582 nan 8.270 nan 0.000 0.424 361 D N 0.066 120.395 120.400 -0.119 0.000 2.149 361 D HA -0.104 4.537 4.640 0.001 0.000 0.198 361 D C 2.000 178.139 176.300 -0.267 0.000 0.990 361 D CA 1.110 55.003 54.000 -0.178 0.000 0.839 361 D CB -0.145 40.526 40.800 -0.215 0.000 0.948 361 D HN 0.064 nan 8.370 nan 0.000 0.460 362 S N 0.133 115.632 115.700 -0.336 0.000 2.345 362 S HA -0.109 4.362 4.470 0.001 0.000 0.220 362 S C 1.760 176.280 174.600 -0.133 0.000 1.031 362 S CA 0.600 58.569 58.200 -0.386 0.000 0.996 362 S CB -0.367 62.618 63.200 -0.358 0.000 0.882 362 S HN 0.171 nan 8.310 nan 0.000 0.445 363 F N 1.984 121.938 119.950 0.007 0.000 2.216 363 F HA -0.000 4.527 4.527 0.001 0.000 0.300 363 F C 2.489 178.296 175.800 0.012 0.000 1.085 363 F CA 0.238 58.260 58.000 0.037 0.000 1.326 363 F CB -1.095 37.915 39.000 0.017 0.000 1.027 363 F HN 0.187 nan 8.300 nan 0.000 0.497 364 A N -0.300 122.596 122.820 0.128 0.000 1.968 364 A HA 0.135 4.456 4.320 0.001 0.000 0.217 364 A C 2.236 179.836 177.584 0.026 0.000 1.169 364 A CA 1.288 53.355 52.037 0.050 0.000 0.638 364 A CB -0.988 18.007 19.000 -0.008 0.000 0.812 364 A HN 0.229 nan 8.150 nan 0.000 0.446 365 A N -1.701 121.107 122.820 -0.020 0.000 2.278 365 A HA 0.431 4.751 4.320 0.001 0.000 0.212 365 A C 1.666 179.390 177.584 0.233 0.000 1.213 365 A CA 1.066 53.104 52.037 0.002 0.000 0.840 365 A CB -0.944 17.888 19.000 -0.279 0.000 0.866 365 A HN 1.810 nan 8.150 nan 0.000 0.489 366 G N -2.496 106.460 108.800 0.260 0.000 2.143 366 G HA2 -0.262 3.699 3.960 0.001 0.000 0.249 366 G HA3 -0.262 3.699 3.960 0.001 0.000 0.249 366 G C -0.120 175.099 174.900 0.531 0.000 0.981 366 G CA 0.206 45.517 45.100 0.351 0.000 0.665 366 G HN 0.370 nan 8.290 nan 0.000 0.528 367 W N 0.463 121.848 121.300 0.141 0.000 2.215 367 W HA 0.634 5.295 4.660 0.001 0.000 0.342 367 W C 1.014 177.532 176.519 -0.001 0.000 1.237 367 W CA 0.320 57.706 57.345 0.068 0.000 1.283 367 W CB 0.622 30.071 29.460 -0.018 0.000 1.131 367 W HN 0.424 nan 8.180 nan 0.000 0.606 368 G N -0.104 108.738 108.800 0.070 0.000 2.511 368 G HA2 0.614 4.574 3.960 0.001 0.000 0.316 368 G HA3 0.614 4.574 3.960 0.001 0.000 0.316 368 G C -1.745 173.189 174.900 0.058 0.000 1.210 368 G CA -0.699 44.382 45.100 -0.031 0.000 0.969 368 G HN 0.276 nan 8.290 nan 0.000 0.492 369 V N 0.844 120.813 119.914 0.091 0.000 2.567 369 V HA 0.397 4.518 4.120 0.001 0.000 0.298 369 V C -0.378 175.760 176.094 0.073 0.000 1.047 369 V CA -0.462 61.839 62.300 0.002 0.000 0.880 369 V CB 1.679 33.375 31.823 -0.212 0.000 1.009 369 V HN 0.802 nan 8.190 nan 0.000 0.429 370 M N 5.698 125.312 119.600 0.024 0.000 2.066 370 M HA 0.542 5.023 4.480 0.001 0.000 0.340 370 M C -0.898 175.411 176.300 0.016 0.000 1.053 370 M CA -0.452 54.844 55.300 -0.006 0.000 0.983 370 M CB 1.299 33.824 32.600 -0.126 0.000 1.520 370 M HN 0.482 nan 8.290 nan 0.000 0.428 371 V N 3.681 123.624 119.914 0.049 0.000 2.740 371 V HA 0.220 4.340 4.120 0.001 0.000 0.303 371 V C 0.256 176.390 176.094 0.066 0.000 1.054 371 V CA 0.204 62.544 62.300 0.067 0.000 1.106 371 V CB 1.311 33.183 31.823 0.083 0.000 0.957 371 V HN 0.920 nan 8.190 nan 0.000 0.486 372 S N 2.224 117.981 115.700 0.095 0.000 2.595 372 S HA 0.602 5.073 4.470 0.001 0.000 0.281 372 S C -0.612 174.118 174.600 0.217 0.000 1.117 372 S CA -0.793 57.497 58.200 0.150 0.000 0.873 372 S CB 1.324 64.608 63.200 0.140 0.000 1.108 372 S HN 0.984 nan 8.310 nan 0.000 0.477 373 H N 1.130 120.227 119.070 0.045 0.000 2.580 373 H HA 0.796 5.352 4.556 0.001 0.000 0.324 373 H C -0.244 175.102 175.328 0.031 0.000 1.436 373 H CA -1.229 54.846 56.048 0.044 0.000 1.464 373 H CB 0.539 30.328 29.762 0.045 0.000 1.752 373 H HN 0.283 nan 8.280 nan 0.000 0.726 374 R N -0.221 120.166 120.500 -0.188 0.000 2.832 374 R HA 0.134 4.474 4.340 0.001 0.000 0.271 374 R C 1.069 177.123 176.300 -0.409 0.000 0.996 374 R CA -0.317 55.626 56.100 -0.263 0.000 0.977 374 R CB 1.490 31.724 30.300 -0.109 0.000 1.168 374 R HN 0.947 nan 8.270 nan 0.000 0.482 375 S N -0.547 114.980 115.700 -0.288 0.000 2.419 375 S HA -0.064 4.407 4.470 0.001 0.000 0.235 375 S C 1.031 175.563 174.600 -0.113 0.000 1.019 375 S CA 0.853 58.934 58.200 -0.198 0.000 0.982 375 S CB -0.087 63.059 63.200 -0.090 0.000 0.789 375 S HN 0.676 nan 8.310 nan 0.000 0.490 376 G N 1.613 110.355 108.800 -0.098 0.000 2.655 376 G HA2 0.533 4.494 3.960 0.001 0.000 0.334 376 G HA3 0.533 4.494 3.960 0.001 0.000 0.334 376 G C -0.381 174.498 174.900 -0.035 0.000 1.099 376 G CA -0.476 44.592 45.100 -0.054 0.000 1.075 376 G HN 0.132 nan 8.290 nan 0.000 0.463 377 E N 0.403 120.603 120.200 -0.000 0.000 2.405 377 E HA 0.703 5.054 4.350 0.001 0.000 0.249 377 E C 0.472 177.095 176.600 0.039 0.000 1.028 377 E CA -0.359 56.061 56.400 0.033 0.000 0.897 377 E CB 2.036 31.788 29.700 0.087 0.000 1.262 377 E HN 0.570 nan 8.360 nan 0.000 0.442 378 T N -2.950 111.635 114.554 0.052 0.000 2.696 378 T HA 0.197 4.548 4.350 0.001 0.000 0.291 378 T C 0.598 175.335 174.700 0.061 0.000 1.095 378 T CA -0.667 61.464 62.100 0.050 0.000 1.026 378 T CB 0.898 69.788 68.868 0.036 0.000 1.390 378 T HN 0.389 nan 8.240 nan 0.000 0.513 379 E N 0.438 120.672 120.200 0.058 0.000 2.516 379 E HA -0.046 4.304 4.350 0.001 0.000 0.199 379 E C 0.148 176.788 176.600 0.066 0.000 1.069 379 E CA 0.040 56.475 56.400 0.059 0.000 0.876 379 E CB -0.317 29.414 29.700 0.053 0.000 0.843 379 E HN 0.726 nan 8.360 nan 0.000 0.530 380 D N 2.111 122.554 120.400 0.073 0.000 2.424 380 D HA -0.033 4.608 4.640 0.001 0.000 0.244 380 D C 0.233 176.601 176.300 0.112 0.000 1.134 380 D CA 0.707 54.763 54.000 0.093 0.000 0.881 380 D CB 1.080 41.932 40.800 0.088 0.000 1.191 380 D HN 0.113 nan 8.370 nan 0.000 0.445 381 T N 1.187 115.818 114.554 0.128 0.000 3.228 381 T HA 0.053 4.404 4.350 0.001 0.000 0.278 381 T C 1.453 176.237 174.700 0.140 0.000 1.014 381 T CA -0.629 61.539 62.100 0.113 0.000 0.904 381 T CB -0.571 68.338 68.868 0.069 0.000 1.110 381 T HN 0.368 nan 8.240 nan 0.000 0.541 382 F N 3.220 123.199 119.950 0.049 0.000 2.091 382 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 382 F C 1.895 177.726 175.800 0.052 0.000 1.103 382 F CA 1.992 60.024 58.000 0.053 0.000 1.228 382 F CB -0.232 38.799 39.000 0.051 0.000 0.984 382 F HN 0.376 nan 8.300 nan 0.000 0.477 383 I N -1.205 119.514 120.570 0.249 0.000 2.657 383 I HA -0.138 4.032 4.170 0.001 0.000 0.261 383 I C 2.221 178.341 176.117 0.004 0.000 1.212 383 I CA 1.271 62.655 61.300 0.139 0.000 1.453 383 I CB -1.278 36.822 38.000 0.166 0.000 1.092 383 I HN 0.154 nan 8.210 nan 0.000 0.452 384 A N 1.820 124.626 122.820 -0.024 0.000 1.872 384 A HA -0.187 4.134 4.320 0.001 0.000 0.214 384 A C 1.803 179.315 177.584 -0.119 0.000 1.187 384 A CA 2.102 54.096 52.037 -0.072 0.000 0.614 384 A CB -0.808 18.152 19.000 -0.066 0.000 0.826 384 A HN 0.473 nan 8.150 nan 0.000 0.442 385 D N -0.769 119.540 120.400 -0.152 0.000 2.178 385 D HA -0.072 4.569 4.640 0.001 0.000 0.202 385 D C 1.759 177.954 176.300 -0.175 0.000 0.974 385 D CA 0.828 54.745 54.000 -0.139 0.000 0.841 385 D CB -0.079 40.622 40.800 -0.166 0.000 0.953 385 D HN 0.322 nan 8.370 nan 0.000 0.478 386 L N 0.251 121.299 121.223 -0.291 0.000 2.027 386 L HA -0.071 4.270 4.340 0.001 0.000 0.206 386 L C 2.119 178.978 176.870 -0.019 0.000 1.074 386 L CA 1.269 56.002 54.840 -0.178 0.000 0.745 386 L CB -0.632 41.367 42.059 -0.100 0.000 0.898 386 L HN 0.000 nan 8.230 nan 0.000 0.433 387 V N -1.206 118.704 119.914 -0.007 0.000 2.490 387 V HA -0.228 3.893 4.120 0.001 0.000 0.250 387 V C 2.349 178.463 176.094 0.033 0.000 1.061 387 V CA 1.883 64.205 62.300 0.037 0.000 1.064 387 V CB 0.002 31.843 31.823 0.031 0.000 0.670 387 V HN 0.348 nan 8.190 nan 0.000 0.461 388 V N 0.449 120.353 119.914 -0.016 0.000 2.407 388 V HA -0.028 4.093 4.120 0.001 0.000 0.245 388 V C 2.692 178.851 176.094 0.109 0.000 1.041 388 V CA 1.837 64.128 62.300 -0.015 0.000 1.040 388 V CB -1.221 30.486 31.823 -0.192 0.000 0.671 388 V HN 0.608 nan 8.190 nan 0.000 0.455 389 G N -0.106 108.762 108.800 0.113 0.000 2.422 389 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 389 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 389 G C 1.485 176.461 174.900 0.128 0.000 1.146 389 G CA 0.715 45.913 45.100 0.163 0.000 0.769 389 G HN 0.486 nan 8.290 nan 0.000 0.547 390 L N -0.970 120.323 121.223 0.115 0.000 2.554 390 L HA 0.239 4.579 4.340 0.001 0.000 0.226 390 L C 1.657 178.588 176.870 0.100 0.000 1.137 390 L CA 0.064 54.995 54.840 0.151 0.000 0.863 390 L CB 0.004 42.199 42.059 0.227 0.000 0.985 390 L HN 0.233 nan 8.230 nan 0.000 0.451 391 R N 0.413 120.959 120.500 0.077 0.000 3.516 391 R HA -0.233 4.108 4.340 0.001 0.000 0.271 391 R C 1.508 177.806 176.300 -0.002 0.000 1.098 391 R CA 0.694 56.805 56.100 0.018 0.000 0.732 391 R CB -1.439 28.822 30.300 -0.064 0.000 1.152 391 R HN 0.532 nan 8.270 nan 0.000 0.455 392 T N -4.277 110.352 114.554 0.125 0.000 2.857 392 T HA 0.072 4.422 4.350 0.001 0.000 0.266 392 T C 1.589 176.380 174.700 0.151 0.000 1.048 392 T CA 1.439 63.675 62.100 0.227 0.000 1.139 392 T CB 0.159 69.213 68.868 0.310 0.000 0.874 392 T HN 0.966 nan 8.240 nan 0.000 0.455 393 G N 1.367 110.238 108.800 0.117 0.000 2.157 393 G HA2 -0.202 3.758 3.960 0.001 0.000 0.248 393 G HA3 -0.202 3.758 3.960 0.001 0.000 0.248 393 G C -0.127 174.883 174.900 0.183 0.000 0.979 393 G CA 0.287 45.452 45.100 0.109 0.000 0.650 393 G HN 1.133 nan 8.290 nan 0.000 0.529 394 Q N -1.087 118.830 119.800 0.194 0.000 2.327 394 Q HA 0.777 5.117 4.340 0.001 0.000 0.265 394 Q C -1.137 174.944 176.000 0.135 0.000 0.993 394 Q CA -1.101 54.836 55.803 0.223 0.000 0.885 394 Q CB 2.164 31.051 28.738 0.248 0.000 1.379 394 Q HN 0.764 nan 8.270 nan 0.000 0.408 395 I N 1.685 122.359 120.570 0.173 0.000 2.894 395 I HA 0.586 4.757 4.170 0.001 0.000 0.302 395 I C -1.984 174.202 176.117 0.115 0.000 1.188 395 I CA -0.880 60.482 61.300 0.103 0.000 1.014 395 I CB 2.518 40.576 38.000 0.097 0.000 1.242 395 I HN 0.834 nan 8.210 nan 0.000 0.430 396 K N 3.596 124.009 120.400 0.023 0.000 2.502 396 K HA 0.455 4.776 4.320 0.001 0.000 0.254 396 K C -1.013 175.426 176.600 -0.268 0.000 0.947 396 K CA -0.583 55.692 56.287 -0.019 0.000 0.834 396 K CB 1.958 34.468 32.500 0.016 0.000 1.112 396 K HN 0.498 nan 8.250 nan 0.000 0.427 397 T N 1.804 116.096 114.554 -0.437 0.000 3.460 397 T HA 0.394 4.745 4.350 0.001 0.000 0.304 397 T C 0.033 174.313 174.700 -0.699 0.000 0.991 397 T CA 0.413 62.023 62.100 -0.816 0.000 0.975 397 T CB -0.214 68.511 68.868 -0.239 0.000 1.196 397 T HN 1.154 nan 8.240 nan 0.000 0.490 398 G N 0.973 109.473 108.800 -0.500 0.000 2.462 398 G HA2 0.381 4.342 3.960 0.001 0.000 0.685 398 G HA3 0.381 4.342 3.960 0.001 0.000 0.685 398 G C -0.225 174.624 174.900 -0.084 0.000 1.295 398 G CA -0.402 44.647 45.100 -0.086 0.000 0.941 398 G HN 0.736 nan 8.290 nan 0.000 0.554 399 A N 0.322 123.089 122.820 -0.087 0.000 2.296 399 A HA 0.820 5.141 4.320 0.001 0.000 0.264 399 A C -1.321 176.062 177.584 -0.335 0.000 1.097 399 A CA -0.510 51.385 52.037 -0.237 0.000 0.811 399 A CB 0.459 19.279 19.000 -0.300 0.000 1.072 399 A HN 0.834 nan 8.150 nan 0.000 0.495 400 P HA 0.352 nan 4.420 nan 0.000 0.220 400 P C -0.689 176.364 177.300 -0.411 0.000 1.778 400 P CA 0.658 63.522 63.100 -0.394 0.000 0.912 400 P CB -0.295 31.184 31.700 -0.367 0.000 1.861 401 A N 1.219 123.850 122.820 -0.316 0.000 2.547 401 A HA 0.712 5.033 4.320 0.001 0.000 0.297 401 A C -0.692 176.867 177.584 -0.042 0.000 1.056 401 A CA -0.707 51.245 52.037 -0.141 0.000 0.688 401 A CB 1.329 20.256 19.000 -0.122 0.000 1.282 401 A HN 0.182 nan 8.150 nan 0.000 0.400 402 R N 1.079 121.588 120.500 0.014 0.000 1.144 402 R HA -0.100 4.241 4.340 0.001 0.000 0.425 402 R C 0.435 176.753 176.300 0.030 0.000 1.320 402 R CA 0.516 56.636 56.100 0.033 0.000 0.888 402 R CB -1.395 28.929 30.300 0.041 0.000 2.911 402 R HN 0.852 nan 8.270 nan 0.000 0.510 403 S N 1.671 117.394 115.700 0.037 0.000 2.500 403 S HA -0.148 4.323 4.470 0.001 0.000 0.239 403 S C 1.663 176.291 174.600 0.046 0.000 0.989 403 S CA 1.318 59.541 58.200 0.038 0.000 0.951 403 S CB -0.066 63.158 63.200 0.039 0.000 0.759 403 S HN 0.695 nan 8.310 nan 0.000 0.523 404 E N 1.273 121.505 120.200 0.054 0.000 2.347 404 E HA -0.096 4.255 4.350 0.001 0.000 0.196 404 E C 1.434 178.081 176.600 0.077 0.000 1.008 404 E CA 0.537 56.977 56.400 0.068 0.000 0.852 404 E CB -0.011 29.733 29.700 0.073 0.000 0.783 404 E HN 0.343 nan 8.360 nan 0.000 0.505 405 R N 0.360 120.896 120.500 0.059 0.000 2.087 405 R HA 0.187 4.527 4.340 0.001 0.000 0.213 405 R C 2.478 178.790 176.300 0.019 0.000 1.137 405 R CA 0.130 56.253 56.100 0.038 0.000 1.022 405 R CB -0.821 29.485 30.300 0.010 0.000 0.920 405 R HN 0.162 nan 8.270 nan 0.000 0.451 406 L N 1.515 122.747 121.223 0.014 0.000 2.187 406 L HA -0.041 4.300 4.340 0.001 0.000 0.213 406 L C 2.399 179.292 176.870 0.038 0.000 1.100 406 L CA 1.732 56.584 54.840 0.020 0.000 0.765 406 L CB -1.570 40.499 42.059 0.018 0.000 0.904 406 L HN 0.140 nan 8.230 nan 0.000 0.437 407 A N -0.071 122.774 122.820 0.041 0.000 1.940 407 A HA -0.237 4.084 4.320 0.001 0.000 0.219 407 A C 2.367 179.977 177.584 0.042 0.000 1.176 407 A CA 1.754 53.818 52.037 0.044 0.000 0.631 407 A CB -0.283 18.747 19.000 0.050 0.000 0.814 407 A HN 0.251 nan 8.150 nan 0.000 0.446 408 K N -0.126 120.300 120.400 0.043 0.000 2.062 408 K HA 0.140 4.460 4.320 0.001 0.000 0.205 408 K C 1.754 178.372 176.600 0.030 0.000 1.051 408 K CA 0.963 57.270 56.287 0.032 0.000 0.941 408 K CB -0.482 32.037 32.500 0.033 0.000 0.719 408 K HN 0.491 nan 8.250 nan 0.000 0.440 409 L N 0.967 122.235 121.223 0.074 0.000 2.083 409 L HA -0.190 4.151 4.340 0.001 0.000 0.209 409 L C 1.676 178.646 176.870 0.166 0.000 1.083 409 L CA 1.004 55.951 54.840 0.179 0.000 0.752 409 L CB -0.521 41.635 42.059 0.162 0.000 0.899 409 L HN 0.224 nan 8.230 nan 0.000 0.433 410 N N -0.088 118.666 118.700 0.090 0.000 2.142 410 N HA -0.209 4.532 4.740 0.001 0.000 0.186 410 N C 1.883 177.410 175.510 0.028 0.000 1.023 410 N CA 1.025 54.117 53.050 0.071 0.000 0.852 410 N CB -0.255 38.261 38.487 0.049 0.000 0.998 410 N HN 0.277 nan 8.380 nan 0.000 0.424 411 Q N 1.050 120.851 119.800 0.001 0.000 2.135 411 Q HA 0.023 4.364 4.340 0.001 0.000 0.204 411 Q C 1.912 177.843 176.000 -0.116 0.000 0.981 411 Q CA 1.156 56.938 55.803 -0.035 0.000 0.856 411 Q CB -0.361 28.363 28.738 -0.024 0.000 0.902 411 Q HN 0.385 nan 8.270 nan 0.000 0.425 412 L N -0.477 120.625 121.223 -0.201 0.000 2.141 412 L HA -0.140 4.200 4.340 0.001 0.000 0.209 412 L C 2.239 178.877 176.870 -0.386 0.000 1.094 412 L CA 0.693 55.245 54.840 -0.480 0.000 0.763 412 L CB -0.385 41.075 42.059 -0.999 0.000 0.908 412 L HN 0.283 nan 8.230 nan 0.000 0.437 413 L N -0.661 120.510 121.223 -0.087 0.000 2.046 413 L HA -0.188 4.153 4.340 0.001 0.000 0.208 413 L C 2.851 179.709 176.870 -0.021 0.000 1.077 413 L CA 1.286 56.162 54.840 0.060 0.000 0.747 413 L CB -0.446 41.689 42.059 0.127 0.000 0.896 413 L HN 0.226 nan 8.230 nan 0.000 0.432 414 R N 0.032 120.507 120.500 -0.040 0.000 2.075 414 R HA -0.097 4.243 4.340 0.001 0.000 0.232 414 R C 2.275 178.528 176.300 -0.079 0.000 1.126 414 R CA 1.243 57.321 56.100 -0.036 0.000 0.963 414 R CB -0.390 29.902 30.300 -0.014 0.000 0.858 414 R HN 0.318 nan 8.270 nan 0.000 0.435 415 I N 0.933 121.408 120.570 -0.158 0.000 2.179 415 I HA -0.281 3.889 4.170 0.001 0.000 0.242 415 I C 2.692 178.631 176.117 -0.296 0.000 1.088 415 I CA 1.414 62.535 61.300 -0.299 0.000 1.357 415 I CB -0.352 37.357 38.000 -0.485 0.000 1.051 415 I HN 0.295 nan 8.210 nan 0.000 0.409 416 E N 1.276 121.338 120.200 -0.230 0.000 2.058 416 E HA -0.319 4.032 4.350 0.001 0.000 0.194 416 E C 2.150 178.705 176.600 -0.075 0.000 0.997 416 E CA 1.737 58.054 56.400 -0.139 0.000 0.801 416 E CB -0.122 29.545 29.700 -0.055 0.000 0.746 416 E HN 0.479 nan 8.360 nan 0.000 0.450 417 E N 0.437 120.607 120.200 -0.049 0.000 2.077 417 E HA -0.280 4.070 4.350 0.001 0.000 0.193 417 E C 2.072 178.660 176.600 -0.019 0.000 0.989 417 E CA 1.420 57.809 56.400 -0.020 0.000 0.800 417 E CB -0.105 29.591 29.700 -0.007 0.000 0.746 417 E HN 0.370 nan 8.360 nan 0.000 0.452 418 E N 0.137 120.317 120.200 -0.033 0.000 2.106 418 E HA -0.151 4.200 4.350 0.001 0.000 0.192 418 E C 2.193 178.792 176.600 -0.002 0.000 0.984 418 E CA 0.762 57.159 56.400 -0.005 0.000 0.806 418 E CB 0.033 29.746 29.700 0.022 0.000 0.750 418 E HN 0.348 nan 8.360 nan 0.000 0.458 419 L N -0.247 120.943 121.223 -0.055 0.000 2.341 419 L HA 0.107 4.448 4.340 0.001 0.000 0.214 419 L C 1.676 178.558 176.870 0.021 0.000 1.115 419 L CA 0.308 55.133 54.840 -0.026 0.000 0.820 419 L CB -0.612 41.375 42.059 -0.121 0.000 0.944 419 L HN 0.374 nan 8.230 nan 0.000 0.452 420 G N 1.908 110.713 108.800 0.008 0.000 2.634 420 G HA2 -0.453 3.508 3.960 0.001 0.000 0.309 420 G HA3 -0.453 3.508 3.960 0.001 0.000 0.309 420 G C 0.416 175.338 174.900 0.037 0.000 1.265 420 G CA 0.644 45.758 45.100 0.023 0.000 0.998 420 G HN 0.535 nan 8.290 nan 0.000 0.551 421 D N 0.990 121.416 120.400 0.043 0.000 2.336 421 D HA 0.050 4.691 4.640 0.001 0.000 0.229 421 D C 1.324 177.663 176.300 0.064 0.000 1.061 421 D CA 0.796 54.825 54.000 0.049 0.000 0.875 421 D CB -0.898 39.926 40.800 0.040 0.000 0.904 421 D HN 0.618 nan 8.370 nan 0.000 0.525 422 N N -0.156 118.593 118.700 0.082 0.000 2.362 422 N HA 0.308 5.048 4.740 0.001 0.000 0.204 422 N C -0.112 175.497 175.510 0.166 0.000 1.166 422 N CA -0.142 52.980 53.050 0.120 0.000 0.831 422 N CB 0.403 38.985 38.487 0.159 0.000 1.008 422 N HN 0.201 nan 8.380 nan 0.000 0.472 423 A N 0.402 123.295 122.820 0.122 0.000 2.594 423 A HA 0.624 4.945 4.320 0.001 0.000 0.295 423 A C -0.807 176.842 177.584 0.110 0.000 1.071 423 A CA -0.675 51.442 52.037 0.134 0.000 0.685 423 A CB 1.190 20.252 19.000 0.103 0.000 1.285 423 A HN -0.034 nan 8.150 nan 0.000 0.405 424 V N -1.406 118.580 119.914 0.122 0.000 3.001 424 V HA 0.880 5.000 4.120 0.001 0.000 0.314 424 V C -0.683 175.537 176.094 0.209 0.000 1.099 424 V CA -0.924 61.462 62.300 0.142 0.000 0.989 424 V CB 1.664 33.548 31.823 0.100 0.000 1.040 424 V HN 1.176 nan 8.190 nan 0.000 0.434 425 F N 3.049 123.041 119.950 0.070 0.000 2.411 425 F HA 0.744 5.271 4.527 0.001 0.000 0.350 425 F C 1.268 177.128 175.800 0.100 0.000 1.114 425 F CA -0.181 57.875 58.000 0.094 0.000 1.135 425 F CB 1.502 40.557 39.000 0.093 0.000 1.120 425 F HN 0.880 nan 8.300 nan 0.000 0.495 426 A N 5.137 127.714 122.820 -0.404 0.000 1.940 426 A HA 0.146 4.466 4.320 0.001 0.000 0.219 426 A C 2.007 179.377 177.584 -0.357 0.000 1.176 426 A CA 1.535 53.392 52.037 -0.299 0.000 0.631 426 A CB -1.599 17.297 19.000 -0.172 0.000 0.814 426 A HN 1.601 nan 8.150 nan 0.000 0.446 427 G N -0.699 107.570 108.800 -0.886 0.000 2.652 427 G HA2 -0.426 3.535 3.960 0.001 0.000 0.318 427 G HA3 -0.426 3.535 3.960 0.001 0.000 0.318 427 G C 0.529 175.435 174.900 0.009 0.000 1.295 427 G CA 0.958 45.852 45.100 -0.342 0.000 0.999 427 G HN 0.498 nan 8.290 nan 0.000 0.548 428 E N 1.450 121.710 120.200 0.101 0.000 2.472 428 E HA 0.025 4.376 4.350 0.001 0.000 0.200 428 E C 1.729 178.380 176.600 0.086 0.000 1.046 428 E CA 0.868 57.375 56.400 0.179 0.000 0.871 428 E CB -0.040 29.729 29.700 0.114 0.000 0.806 428 E HN 0.407 nan 8.360 nan 0.000 0.533 429 N N 0.370 119.084 118.700 0.023 0.000 2.295 429 N HA 0.019 4.760 4.740 0.001 0.000 0.221 429 N C 0.663 176.121 175.510 -0.086 0.000 1.129 429 N CA -0.056 52.958 53.050 -0.059 0.000 0.836 429 N CB 0.063 38.541 38.487 -0.015 0.000 1.040 429 N HN 0.289 nan 8.380 nan 0.000 0.494 430 F N 0.703 120.664 119.950 0.019 0.000 2.154 430 F HA -0.194 4.334 4.527 0.001 0.000 0.301 430 F C 2.349 178.203 175.800 0.089 0.000 1.087 430 F CA 1.232 59.262 58.000 0.050 0.000 1.274 430 F CB -0.795 38.284 39.000 0.131 0.000 1.009 430 F HN 0.090 nan 8.300 nan 0.000 0.485 431 H N -0.328 118.208 119.070 -0.889 0.000 2.319 431 H HA -0.127 4.430 4.556 0.002 0.000 0.299 431 H C 0.876 176.018 175.328 -0.310 0.000 1.092 431 H CA 2.322 58.027 56.048 -0.572 0.000 1.302 431 H CB -0.470 28.807 29.762 -0.809 0.000 1.373 431 H HN 0.340 nan 8.280 nan 0.000 0.497 432 H N -0.464 118.488 119.070 -0.196 0.000 2.507 432 H HA 0.252 4.808 4.556 0.001 0.000 0.281 432 H C 1.690 176.955 175.328 -0.105 0.000 1.160 432 H CA 0.422 56.376 56.048 -0.157 0.000 0.981 432 H CB 0.016 29.722 29.762 -0.092 0.000 1.665 432 H HN 0.575 nan 8.280 nan 0.000 0.554 433 G N 1.051 109.862 108.800 0.018 0.000 2.469 433 G HA2 -0.289 3.671 3.960 0.001 0.000 0.220 433 G HA3 -0.289 3.671 3.960 0.001 0.000 0.220 433 G C 1.503 176.361 174.900 -0.071 0.000 1.136 433 G CA 0.951 46.050 45.100 -0.002 0.000 0.759 433 G HN 0.498 nan 8.290 nan 0.000 0.562 434 D N 0.537 120.834 120.400 -0.171 0.000 2.263 434 D HA -0.064 4.577 4.640 0.001 0.000 0.208 434 D C 1.804 177.950 176.300 -0.256 0.000 0.971 434 D CA 0.840 54.611 54.000 -0.381 0.000 0.867 434 D CB -0.188 40.002 40.800 -1.017 0.000 0.929 434 D HN 0.190 nan 8.370 nan 0.000 0.492 435 K N -0.164 120.146 120.400 -0.149 0.000 2.404 435 K HA 0.299 4.620 4.320 0.001 0.000 0.194 435 K C 0.837 177.388 176.600 -0.082 0.000 1.023 435 K CA -0.213 56.002 56.287 -0.121 0.000 1.094 435 K CB 0.208 32.630 32.500 -0.130 0.000 0.841 435 K HN 0.170 nan 8.250 nan 0.000 0.523 436 L N 0.000 121.184 121.223 -0.065 0.000 2.949 436 L HA 0.000 4.341 4.340 0.001 0.000 0.249 436 L CA 0.000 54.816 54.840 -0.041 0.000 0.813 436 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 436 L HN 0.000 nan 8.230 nan 0.000 0.502