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 1i2m_1_B DATA FIRST_RESID 24 DATA SEQUENCE KVSHRSHSTE PGLVLTLGQG DVGQLGLGEN VMERKKPALV SIPEDVVQAE DATA SEQUENCE AGGMHTVCLS KSGQVYSFGC NDEGALGRDT SVEGSEMVPG KVELQEKVVQ DATA SEQUENCE VSAGDSHTAA LTDDGRVFLW GSFRDNNGVI GLLEPMKKSM VPVQVQLDVP DATA SEQUENCE VVKVASGNDH LVMLTADGDL YTLGCGEQGQ LGRVPELFAN RGGRQGLERL DATA SEQUENCE LVPKCVMLKX XXXXXHVRFQ DAFCGAYFTF AISHEGHVYG FGLSNYHQLG DATA SEQUENCE TPGTESCFIP QNLTSFKNST KSWVGFSGGQ HHTVCMDSEG KAYSLGRAEY DATA SEQUENCE GRLGLGEGAE EKSIPTLISR LPAVSSVACG ASVGYAVTKD GRVFAWGMGT DATA SEQUENCE NYQLGTGQDE DAWSPVEMMG KQLENRVVLS VSSGGQHTVL LVKD 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 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.645 176.600 0.075 0.000 0.988 24 K CA 0.000 56.324 56.287 0.061 0.000 0.838 24 K CB 0.000 32.532 32.500 0.054 0.000 1.064 25 V N 2.166 122.141 119.914 0.100 0.000 2.924 25 V HA 0.719 4.769 4.120 -0.116 0.000 0.305 25 V C -0.112 176.080 176.094 0.163 0.000 1.073 25 V CA 0.302 62.678 62.300 0.126 0.000 1.098 25 V CB 1.124 33.040 31.823 0.155 0.000 1.000 25 V HN 0.607 nan 8.190 nan 0.000 0.484 26 S N 2.261 118.008 115.700 0.079 0.000 2.550 26 S HA 0.655 5.055 4.470 -0.116 0.000 0.270 26 S C -1.057 173.406 174.600 -0.228 0.000 1.145 26 S CA -0.677 57.483 58.200 -0.067 0.000 0.852 26 S CB 1.901 65.088 63.200 -0.020 0.000 1.119 26 S HN 1.418 nan 8.310 nan 0.000 0.465 27 H N 0.923 119.568 119.070 -0.708 0.000 3.094 27 H HA 0.332 4.818 4.556 -0.116 0.000 0.346 27 H C 0.812 175.938 175.328 -0.336 0.000 1.238 27 H CA -0.402 55.359 56.048 -0.478 0.000 1.209 27 H CB 1.848 31.335 29.762 -0.459 0.000 1.911 27 H HN 0.921 nan 8.280 nan 0.000 0.540 28 R N 0.848 121.026 120.500 -0.536 0.000 2.159 28 R HA -0.124 4.147 4.340 -0.116 0.000 0.237 28 R C 1.347 177.661 176.300 0.023 0.000 1.131 28 R CA 1.964 57.937 56.100 -0.212 0.000 0.982 28 R CB -0.284 29.890 30.300 -0.210 0.000 0.868 28 R HN 0.361 nan 8.270 nan 0.000 0.453 29 S N 0.065 115.915 115.700 0.250 0.000 2.481 29 S HA -0.095 4.305 4.470 -0.116 0.000 0.231 29 S C 0.460 175.254 174.600 0.324 0.000 0.996 29 S CA -0.157 58.241 58.200 0.331 0.000 0.942 29 S CB -0.631 62.804 63.200 0.392 0.000 0.768 29 S HN 0.486 nan 8.310 nan 0.000 0.520 30 H N 1.664 120.825 119.070 0.151 0.000 2.848 30 H HA 0.311 4.795 4.556 -0.120 0.000 0.341 30 H C -0.191 175.180 175.328 0.071 0.000 1.060 30 H CA -0.245 55.860 56.048 0.095 0.000 1.444 30 H CB 0.561 30.377 29.762 0.090 0.000 1.446 30 H HN 0.222 nan 8.280 nan 0.000 0.583 31 S N 1.270 117.067 115.700 0.163 0.000 2.475 31 S HA 0.141 4.542 4.470 -0.116 0.000 0.298 31 S C 0.942 175.591 174.600 0.081 0.000 1.119 31 S CA -0.704 57.556 58.200 0.101 0.000 1.085 31 S CB 1.538 64.779 63.200 0.068 0.000 1.028 31 S HN 0.874 nan 8.310 nan 0.000 0.489 32 T N -1.621 112.974 114.554 0.069 0.000 3.087 32 T HA 0.264 4.544 4.350 -0.116 0.000 0.283 32 T C -0.064 174.661 174.700 0.042 0.000 0.956 32 T CA -0.307 61.827 62.100 0.056 0.000 0.894 32 T CB -0.092 68.813 68.868 0.062 0.000 1.160 32 T HN 0.492 nan 8.240 nan 0.000 0.532 33 E N 4.254 124.477 120.200 0.038 0.000 2.180 33 E HA 0.263 4.543 4.350 -0.116 0.000 0.283 33 E C -2.472 174.142 176.600 0.023 0.000 1.061 33 E CA -2.263 54.155 56.400 0.029 0.000 0.861 33 E CB 0.942 30.659 29.700 0.028 0.000 1.056 33 E HN 0.350 nan 8.360 nan 0.000 0.407 34 P HA 0.061 nan 4.420 nan 0.000 0.271 34 P C -0.296 177.008 177.300 0.006 0.000 1.220 34 P CA 0.028 63.135 63.100 0.012 0.000 0.768 34 P CB 1.378 33.084 31.700 0.011 0.000 0.848 35 G N 2.169 110.970 108.800 0.001 0.000 2.827 35 G HA2 0.627 4.518 3.960 -0.116 0.000 0.296 35 G HA3 0.627 4.518 3.960 -0.116 0.000 0.296 35 G C -1.623 173.269 174.900 -0.013 0.000 1.362 35 G CA -0.858 44.239 45.100 -0.004 0.000 0.809 35 G HN 0.408 nan 8.290 nan 0.000 0.522 36 L N 0.098 121.313 121.223 -0.015 0.000 2.334 36 L HA 0.611 4.882 4.340 -0.116 0.000 0.273 36 L C -0.328 176.533 176.870 -0.016 0.000 1.013 36 L CA -1.146 53.681 54.840 -0.022 0.000 0.816 36 L CB 2.170 44.215 42.059 -0.023 0.000 1.278 36 L HN 0.182 nan 8.230 nan 0.000 0.431 37 V N 3.961 123.866 119.914 -0.015 0.000 2.439 37 V HA 0.433 4.484 4.120 -0.116 0.000 0.282 37 V C 0.051 176.147 176.094 0.004 0.000 1.039 37 V CA -0.368 61.936 62.300 0.007 0.000 0.913 37 V CB 1.479 33.330 31.823 0.046 0.000 0.983 37 V HN 0.464 nan 8.190 nan 0.000 0.460 38 L N 4.760 125.987 121.223 0.007 0.000 2.362 38 L HA 0.824 5.094 4.340 -0.116 0.000 0.271 38 L C 0.033 176.917 176.870 0.023 0.000 1.002 38 L CA -0.451 54.391 54.840 0.003 0.000 0.818 38 L CB 2.453 44.506 42.059 -0.011 0.000 1.298 38 L HN 0.763 nan 8.230 nan 0.000 0.420 39 T N 0.474 115.050 114.554 0.037 0.000 2.906 39 T HA 0.873 5.154 4.350 -0.116 0.000 0.295 39 T C -0.719 174.014 174.700 0.056 0.000 1.075 39 T CA -0.805 61.339 62.100 0.074 0.000 1.005 39 T CB 2.278 71.239 68.868 0.156 0.000 1.136 39 T HN 0.653 nan 8.240 nan 0.000 0.498 40 L N -1.608 119.660 121.223 0.076 0.000 2.622 40 L HA 0.897 5.168 4.340 -0.116 0.000 0.258 40 L C 0.095 177.038 176.870 0.122 0.000 0.996 40 L CA -0.567 54.318 54.840 0.075 0.000 0.858 40 L CB 1.396 43.490 42.059 0.059 0.000 1.449 40 L HN 1.419 nan 8.230 nan 0.000 0.411 41 G N 0.657 109.536 108.800 0.131 0.000 2.384 41 G HA2 0.007 3.897 3.960 -0.116 0.000 0.200 41 G HA3 0.007 3.897 3.960 -0.116 0.000 0.200 41 G C -1.441 173.548 174.900 0.148 0.000 1.205 41 G CA -0.463 44.742 45.100 0.175 0.000 1.116 41 G HN 0.789 nan 8.290 nan 0.000 0.547 42 Q N 0.620 120.510 119.800 0.151 0.000 2.230 42 Q HA 0.586 4.857 4.340 -0.116 0.000 0.248 42 Q C 0.674 176.710 176.000 0.059 0.000 0.915 42 Q CA 0.230 56.094 55.803 0.101 0.000 0.900 42 Q CB 1.398 30.195 28.738 0.097 0.000 1.229 42 Q HN 1.572 nan 8.270 nan 0.000 0.439 43 G N 1.100 109.918 108.800 0.030 0.000 4.424 43 G HA2 0.043 3.933 3.960 -0.116 0.000 0.287 43 G HA3 0.043 3.933 3.960 -0.116 0.000 0.287 43 G C 0.265 175.166 174.900 0.003 0.000 1.023 43 G CA -0.323 44.779 45.100 0.003 0.000 0.790 43 G HN 0.478 nan 8.290 nan 0.000 0.468 44 D N 0.653 121.058 120.400 0.010 0.000 2.203 44 D HA -0.152 4.419 4.640 -0.116 0.000 0.199 44 D C 2.359 178.665 176.300 0.009 0.000 0.997 44 D CA 2.018 56.026 54.000 0.012 0.000 0.863 44 D CB 0.297 41.108 40.800 0.019 0.000 0.928 44 D HN 0.476 nan 8.370 nan 0.000 0.458 45 V N -4.227 115.690 119.914 0.004 0.000 3.214 45 V HA 0.600 4.651 4.120 -0.116 0.000 0.330 45 V C 1.152 177.260 176.094 0.023 0.000 1.403 45 V CA 0.301 62.608 62.300 0.011 0.000 1.143 45 V CB 0.378 32.207 31.823 0.010 0.000 1.098 45 V HN 0.204 nan 8.190 nan 0.000 0.463 46 G N 1.512 110.327 108.800 0.024 0.000 2.176 46 G HA2 -0.302 3.588 3.960 -0.116 0.000 0.232 46 G HA3 -0.302 3.588 3.960 -0.116 0.000 0.232 46 G C 0.930 175.910 174.900 0.133 0.000 0.986 46 G CA 0.464 45.602 45.100 0.063 0.000 0.643 46 G HN 0.765 nan 8.290 nan 0.000 0.522 47 Q N 0.387 120.199 119.800 0.020 0.000 2.364 47 Q HA 0.065 4.336 4.340 -0.116 0.000 0.209 47 Q C 2.319 178.403 176.000 0.140 0.000 0.977 47 Q CA 1.478 57.234 55.803 -0.079 0.000 0.885 47 Q CB -0.276 28.068 28.738 -0.656 0.000 0.941 47 Q HN 0.627 nan 8.270 nan 0.000 0.464 48 L N -0.022 121.278 121.223 0.129 0.000 2.341 48 L HA 0.163 4.433 4.340 -0.116 0.000 0.214 48 L C 1.363 178.228 176.870 -0.008 0.000 1.115 48 L CA 0.523 55.447 54.840 0.140 0.000 0.820 48 L CB -0.378 41.708 42.059 0.045 0.000 0.944 48 L HN 0.448 nan 8.230 nan 0.000 0.452 49 G N 0.722 109.420 108.800 -0.170 0.000 2.179 49 G HA2 -0.287 3.604 3.960 -0.116 0.000 0.257 49 G HA3 -0.287 3.604 3.960 -0.116 0.000 0.257 49 G C 0.532 175.159 174.900 -0.456 0.000 1.010 49 G CA 0.283 44.897 45.100 -0.810 0.000 0.736 49 G HN 0.354 nan 8.290 nan 0.000 0.513 50 L N 0.003 121.094 121.223 -0.219 0.000 2.818 50 L HA 0.531 4.801 4.340 -0.116 0.000 0.243 50 L C 1.363 178.170 176.870 -0.104 0.000 1.185 50 L CA 0.227 54.977 54.840 -0.150 0.000 0.988 50 L CB -0.150 41.850 42.059 -0.098 0.000 1.292 50 L HN 1.028 nan 8.230 nan 0.000 0.519 51 G N 0.635 109.376 108.800 -0.098 0.000 2.619 51 G HA2 -0.203 3.687 3.960 -0.116 0.000 0.686 51 G HA3 -0.203 3.687 3.960 -0.116 0.000 0.686 51 G C 0.285 175.162 174.900 -0.039 0.000 1.256 51 G CA -0.089 44.973 45.100 -0.062 0.000 0.826 51 G HN 0.271 nan 8.290 nan 0.000 0.619 52 E N -0.301 119.883 120.200 -0.028 0.000 2.273 52 E HA -0.167 4.113 4.350 -0.116 0.000 0.198 52 E C 1.357 177.948 176.600 -0.015 0.000 1.002 52 E CA 1.534 57.924 56.400 -0.017 0.000 0.828 52 E CB -0.076 29.616 29.700 -0.013 0.000 0.747 52 E HN 0.404 nan 8.360 nan 0.000 0.491 53 N N -0.161 118.526 118.700 -0.020 0.000 2.171 53 N HA 0.068 4.738 4.740 -0.116 0.000 0.212 53 N C -0.924 174.574 175.510 -0.021 0.000 1.184 53 N CA 0.058 53.097 53.050 -0.018 0.000 0.888 53 N CB 1.656 40.133 38.487 -0.018 0.000 1.038 53 N HN -0.085 nan 8.380 nan 0.000 0.517 54 V N 2.828 122.726 119.914 -0.026 0.000 2.322 54 V HA 0.206 4.257 4.120 -0.116 0.000 0.258 54 V C 1.139 177.221 176.094 -0.019 0.000 1.074 54 V CA 0.083 62.366 62.300 -0.028 0.000 0.909 54 V CB 0.889 32.689 31.823 -0.038 0.000 1.090 54 V HN 0.093 nan 8.190 nan 0.000 0.486 55 M N 2.454 122.045 119.600 -0.015 0.000 2.441 55 M HA 0.340 4.750 4.480 -0.116 0.000 0.244 55 M C 0.551 176.853 176.300 0.003 0.000 1.122 55 M CA 0.529 55.827 55.300 -0.003 0.000 1.041 55 M CB -0.080 32.521 32.600 0.001 0.000 1.438 55 M HN 0.758 nan 8.290 nan 0.000 0.484 56 E N 0.611 120.801 120.200 -0.016 0.000 2.378 56 E HA 0.377 4.658 4.350 -0.116 0.000 0.283 56 E C -1.233 175.331 176.600 -0.061 0.000 0.979 56 E CA -0.523 55.862 56.400 -0.026 0.000 0.795 56 E CB 2.200 31.872 29.700 -0.046 0.000 1.221 56 E HN -0.062 nan 8.360 nan 0.000 0.428 57 R N 3.480 123.950 120.500 -0.050 0.000 2.502 57 R HA 0.287 4.558 4.340 -0.116 0.000 0.298 57 R C 0.012 176.266 176.300 -0.077 0.000 1.018 57 R CA -0.513 55.550 56.100 -0.061 0.000 0.899 57 R CB 1.494 31.783 30.300 -0.017 0.000 1.181 57 R HN 0.611 nan 8.270 nan 0.000 0.444 58 K N 1.055 121.362 120.400 -0.155 0.000 2.365 58 K HA 0.093 4.344 4.320 -0.116 0.000 0.197 58 K C 0.214 176.810 176.600 -0.007 0.000 1.042 58 K CA 0.882 57.081 56.287 -0.145 0.000 0.987 58 K CB 0.512 32.839 32.500 -0.288 0.000 0.779 58 K HN 0.196 nan 8.250 nan 0.000 0.484 59 K N 0.647 121.036 120.400 -0.018 0.000 2.435 59 K HA 0.314 4.565 4.320 -0.116 0.000 0.251 59 K C -2.882 173.718 176.600 0.000 0.000 0.954 59 K CA -2.463 53.825 56.287 0.003 0.000 0.820 59 K CB 2.024 34.520 32.500 -0.008 0.000 1.292 59 K HN -0.329 nan 8.250 nan 0.000 0.436 60 P HA -0.093 nan 4.420 nan 0.000 0.260 60 P C -1.497 175.797 177.300 -0.010 0.000 1.172 60 P CA 0.407 63.506 63.100 -0.001 0.000 0.760 60 P CB 0.471 32.167 31.700 -0.006 0.000 0.773 61 A N 3.946 126.760 122.820 -0.010 0.000 2.355 61 A HA 0.529 4.779 4.320 -0.116 0.000 0.317 61 A C -0.839 176.730 177.584 -0.025 0.000 1.094 61 A CA -0.794 51.230 52.037 -0.021 0.000 0.764 61 A CB 0.702 19.687 19.000 -0.025 0.000 1.230 61 A HN 0.527 nan 8.150 nan 0.000 0.448 62 L N 3.166 124.369 121.223 -0.034 0.000 2.462 62 L HA 0.414 4.684 4.340 -0.116 0.000 0.272 62 L C -0.391 176.441 176.870 -0.063 0.000 1.166 62 L CA 0.545 55.360 54.840 -0.041 0.000 0.880 62 L CB 0.727 42.762 42.059 -0.040 0.000 1.142 62 L HN 0.414 nan 8.230 nan 0.000 0.473 63 V N 4.871 124.743 119.914 -0.070 0.000 2.394 63 V HA 0.363 4.414 4.120 -0.116 0.000 0.282 63 V C 0.293 176.315 176.094 -0.121 0.000 1.031 63 V CA -0.543 61.682 62.300 -0.124 0.000 0.881 63 V CB 1.412 33.156 31.823 -0.132 0.000 0.982 63 V HN 0.888 nan 8.190 nan 0.000 0.451 64 S N 6.497 122.114 115.700 -0.138 0.000 2.448 64 S HA 0.541 4.942 4.470 -0.116 0.000 0.279 64 S C -0.299 174.213 174.600 -0.147 0.000 1.195 64 S CA -0.299 57.829 58.200 -0.120 0.000 1.051 64 S CB 0.068 63.209 63.200 -0.097 0.000 0.948 64 S HN 0.426 nan 8.310 nan 0.000 0.493 65 I N 4.558 125.030 120.570 -0.164 0.000 2.545 65 I HA 0.318 4.418 4.170 -0.116 0.000 0.292 65 I C -1.839 174.149 176.117 -0.215 0.000 1.040 65 I CA -2.433 58.704 61.300 -0.271 0.000 1.068 65 I CB 1.280 39.059 38.000 -0.367 0.000 1.251 65 I HN 0.314 nan 8.210 nan 0.000 0.424 66 P HA -0.052 nan 4.420 nan 0.000 0.226 66 P C -0.350 176.915 177.300 -0.059 0.000 1.146 66 P CA 1.309 64.367 63.100 -0.070 0.000 0.773 66 P CB 0.465 32.188 31.700 0.039 0.000 0.772 67 E N -1.570 118.558 120.200 -0.121 0.000 2.456 67 E HA 0.278 4.558 4.350 -0.116 0.000 0.276 67 E C -0.973 175.580 176.600 -0.078 0.000 0.981 67 E CA -1.042 55.323 56.400 -0.059 0.000 0.814 67 E CB 0.737 30.440 29.700 0.006 0.000 1.382 67 E HN -0.176 nan 8.360 nan 0.000 0.459 68 D N 0.711 121.091 120.400 -0.035 0.000 2.341 68 D HA 0.251 4.821 4.640 -0.116 0.000 0.245 68 D C -0.636 175.650 176.300 -0.024 0.000 1.106 68 D CA -0.001 53.982 54.000 -0.029 0.000 0.905 68 D CB 1.455 42.250 40.800 -0.009 0.000 1.202 68 D HN -0.015 nan 8.370 nan 0.000 0.426 69 V N 1.613 121.514 119.914 -0.023 0.000 2.581 69 V HA 0.168 4.218 4.120 -0.116 0.000 0.303 69 V C 1.252 177.352 176.094 0.010 0.000 1.041 69 V CA -0.604 61.692 62.300 -0.006 0.000 0.907 69 V CB 1.881 33.694 31.823 -0.016 0.000 0.994 69 V HN 0.488 nan 8.190 nan 0.000 0.442 70 V N 0.849 120.777 119.914 0.023 0.000 3.621 70 V HA 0.392 4.443 4.120 -0.116 0.000 0.263 70 V C 0.302 176.410 176.094 0.024 0.000 1.272 70 V CA 0.496 62.812 62.300 0.025 0.000 1.080 70 V CB 0.070 31.912 31.823 0.032 0.000 0.816 70 V HN 0.823 nan 8.190 nan 0.000 0.451 71 Q N 0.279 120.091 119.800 0.020 0.000 2.320 71 Q HA 0.737 5.007 4.340 -0.116 0.000 0.272 71 Q C -1.748 174.253 176.000 0.001 0.000 1.023 71 Q CA -0.094 55.715 55.803 0.009 0.000 0.855 71 Q CB 2.465 31.207 28.738 0.007 0.000 1.367 71 Q HN 0.537 nan 8.270 nan 0.000 0.406 72 A N 3.559 126.367 122.820 -0.020 0.000 2.375 72 A HA 0.594 4.844 4.320 -0.116 0.000 0.291 72 A C -1.163 176.372 177.584 -0.081 0.000 1.160 72 A CA -0.581 51.435 52.037 -0.035 0.000 0.747 72 A CB 1.210 20.199 19.000 -0.019 0.000 1.170 72 A HN 0.583 nan 8.150 nan 0.000 0.458 73 E N 1.110 121.240 120.200 -0.116 0.000 2.183 73 E HA 0.630 4.911 4.350 -0.116 0.000 0.271 73 E C -0.486 175.973 176.600 -0.235 0.000 0.919 73 E CA -0.476 55.825 56.400 -0.166 0.000 0.781 73 E CB 2.238 31.840 29.700 -0.164 0.000 1.140 73 E HN 0.732 nan 8.360 nan 0.000 0.402 74 A N 2.182 124.849 122.820 -0.255 0.000 2.276 74 A HA 0.683 4.934 4.320 -0.116 0.000 0.316 74 A C 0.456 177.856 177.584 -0.306 0.000 1.229 74 A CA -0.147 51.717 52.037 -0.288 0.000 0.851 74 A CB 0.930 19.663 19.000 -0.445 0.000 1.165 74 A HN 0.551 nan 8.150 nan 0.000 0.513 75 G N 0.871 109.421 108.800 -0.415 0.000 2.532 75 G HA2 0.439 4.329 3.960 -0.116 0.000 0.291 75 G HA3 0.439 4.329 3.960 -0.116 0.000 0.291 75 G C 1.046 175.896 174.900 -0.083 0.000 1.349 75 G CA 0.047 44.904 45.100 -0.404 0.000 1.038 75 G HN 1.051 nan 8.290 nan 0.000 0.518 76 G N -0.868 107.945 108.800 0.022 0.000 2.421 76 G HA2 -0.057 3.833 3.960 -0.116 0.000 0.216 76 G HA3 -0.057 3.833 3.960 -0.116 0.000 0.216 76 G C 1.008 175.994 174.900 0.145 0.000 1.171 76 G CA 0.842 45.986 45.100 0.073 0.000 0.775 76 G HN 0.349 nan 8.290 nan 0.000 0.543 77 M N 1.024 120.721 119.600 0.162 0.000 3.017 77 M HA 0.261 4.671 4.480 -0.116 0.000 0.423 77 M C -0.493 175.851 176.300 0.072 0.000 1.395 77 M CA -0.178 55.168 55.300 0.076 0.000 0.816 77 M CB 0.264 32.899 32.600 0.059 0.000 1.440 77 M HN 0.547 nan 8.290 nan 0.000 0.506 78 H N -1.716 117.302 119.070 -0.086 0.000 2.990 78 H HA 0.695 5.194 4.556 -0.096 0.000 0.336 78 H C -1.723 173.524 175.328 -0.136 0.000 1.306 78 H CA -0.480 55.484 56.048 -0.141 0.000 1.118 78 H CB 1.044 30.746 29.762 -0.100 0.000 1.856 78 H HN -0.080 nan 8.280 nan 0.000 0.538 79 T N 1.352 115.638 114.554 -0.447 0.000 2.893 79 T HA 0.507 4.787 4.350 -0.116 0.000 0.293 79 T C -0.739 173.573 174.700 -0.647 0.000 1.027 79 T CA -0.611 61.113 62.100 -0.626 0.000 0.988 79 T CB 1.816 70.191 68.868 -0.822 0.000 1.043 79 T HN 0.462 nan 8.240 nan 0.000 0.461 80 V N 1.778 121.454 119.914 -0.396 0.000 2.531 80 V HA 0.514 4.565 4.120 -0.116 0.000 0.301 80 V C -0.468 175.577 176.094 -0.083 0.000 1.034 80 V CA -0.800 61.401 62.300 -0.165 0.000 0.865 80 V CB 1.559 33.342 31.823 -0.066 0.000 0.995 80 V HN 1.086 nan 8.190 nan 0.000 0.424 81 C N 5.439 124.765 119.300 0.043 0.000 2.456 81 C HA 0.745 5.135 4.460 -0.116 0.000 0.325 81 C C -0.268 174.819 174.990 0.162 0.000 1.217 81 C CA -0.698 58.377 59.018 0.094 0.000 1.687 81 C CB 1.296 29.115 27.740 0.132 0.000 2.270 81 C HN 0.772 nan 8.230 nan 0.000 0.499 82 L N 3.590 124.879 121.223 0.110 0.000 2.305 82 L HA 0.603 4.874 4.340 -0.116 0.000 0.284 82 L C 0.475 177.414 176.870 0.114 0.000 1.013 82 L CA 0.421 55.333 54.840 0.121 0.000 0.819 82 L CB 1.295 43.391 42.059 0.062 0.000 1.227 82 L HN 0.876 nan 8.230 nan 0.000 0.417 83 S N 3.136 118.937 115.700 0.168 0.000 2.632 83 S HA 0.287 4.687 4.470 -0.116 0.000 0.267 83 S C 1.027 175.674 174.600 0.079 0.000 1.276 83 S CA -0.274 58.001 58.200 0.125 0.000 0.998 83 S CB 1.172 64.504 63.200 0.220 0.000 0.953 83 S HN 0.665 nan 8.310 nan 0.000 0.547 84 K N 1.250 121.683 120.400 0.055 0.000 2.211 84 K HA -0.093 4.158 4.320 -0.116 0.000 0.204 84 K C 2.008 178.634 176.600 0.044 0.000 1.047 84 K CA 1.942 58.254 56.287 0.041 0.000 0.935 84 K CB -0.859 31.659 32.500 0.030 0.000 0.728 84 K HN 0.761 nan 8.250 nan 0.000 0.452 85 S N -1.684 114.048 115.700 0.054 0.000 2.593 85 S HA 0.178 4.579 4.470 -0.116 0.000 0.217 85 S C 1.220 175.843 174.600 0.037 0.000 0.966 85 S CA 0.288 58.514 58.200 0.044 0.000 0.914 85 S CB -0.052 63.176 63.200 0.047 0.000 0.776 85 S HN 0.489 nan 8.310 nan 0.000 0.523 86 G N 0.615 109.443 108.800 0.047 0.000 2.131 86 G HA2 -0.192 3.698 3.960 -0.116 0.000 0.223 86 G HA3 -0.192 3.698 3.960 -0.116 0.000 0.223 86 G C -0.332 174.582 174.900 0.023 0.000 0.990 86 G CA -0.193 44.926 45.100 0.031 0.000 0.671 86 G HN 0.594 nan 8.290 nan 0.000 0.521 87 Q N -0.372 119.460 119.800 0.053 0.000 2.245 87 Q HA 0.630 4.900 4.340 -0.116 0.000 0.256 87 Q C -0.135 175.889 176.000 0.039 0.000 0.942 87 Q CA -0.792 55.007 55.803 -0.006 0.000 0.896 87 Q CB 2.748 31.468 28.738 -0.029 0.000 1.272 87 Q HN 0.166 nan 8.270 nan 0.000 0.442 88 V N 2.674 122.544 119.914 -0.074 0.000 2.472 88 V HA 0.375 4.426 4.120 -0.116 0.000 0.290 88 V C -1.026 175.000 176.094 -0.114 0.000 1.037 88 V CA -0.602 61.716 62.300 0.031 0.000 0.908 88 V CB 0.494 32.375 31.823 0.097 0.000 0.985 88 V HN 0.597 nan 8.190 nan 0.000 0.454 89 Y N 1.871 122.218 120.300 0.078 0.000 2.485 89 Y HA 0.724 5.202 4.550 -0.120 0.000 0.345 89 Y C 0.391 176.366 175.900 0.124 0.000 0.998 89 Y CA -0.630 57.535 58.100 0.108 0.000 1.059 89 Y CB 2.419 40.966 38.460 0.144 0.000 1.234 89 Y HN 0.723 nan 8.280 nan 0.000 0.461 90 S N 2.008 117.889 115.700 0.301 0.000 2.579 90 S HA 0.922 5.322 4.470 -0.116 0.000 0.272 90 S C -1.466 173.325 174.600 0.318 0.000 1.141 90 S CA -0.837 57.463 58.200 0.166 0.000 0.843 90 S CB 1.920 65.229 63.200 0.182 0.000 1.122 90 S HN 0.614 nan 8.310 nan 0.000 0.468 91 F N -1.739 118.293 119.950 0.138 0.000 2.665 91 F HA 0.950 5.417 4.527 -0.101 0.000 0.308 91 F C 0.197 176.051 175.800 0.089 0.000 1.112 91 F CA -0.045 58.007 58.000 0.087 0.000 0.972 91 F CB 1.153 40.185 39.000 0.055 0.000 1.295 91 F HN 1.369 nan 8.300 nan 0.000 0.440 92 G N -0.578 108.361 108.800 0.232 0.000 2.270 92 G HA2 0.141 4.032 3.960 -0.116 0.000 0.268 92 G HA3 0.141 4.032 3.960 -0.116 0.000 0.268 92 G C -1.599 173.345 174.900 0.074 0.000 1.312 92 G CA -0.558 44.616 45.100 0.124 0.000 1.050 92 G HN 1.297 nan 8.290 nan 0.000 0.474 93 C N 0.833 120.157 119.300 0.041 0.000 2.627 93 C HA 0.613 5.004 4.460 -0.116 0.000 0.404 93 C C 1.292 176.262 174.990 -0.033 0.000 1.340 93 C CA 0.362 59.384 59.018 0.007 0.000 1.758 93 C CB -0.686 27.056 27.740 0.005 0.000 2.501 93 C HN 0.728 nan 8.230 nan 0.000 0.588 94 N N 2.646 121.336 118.700 -0.017 0.000 2.275 94 N HA 0.148 4.818 4.740 -0.116 0.000 0.236 94 N C 0.869 176.367 175.510 -0.020 0.000 1.154 94 N CA 0.025 53.059 53.050 -0.028 0.000 0.866 94 N CB -0.017 38.467 38.487 -0.005 0.000 1.093 94 N HN 0.674 nan 8.380 nan 0.000 0.515 95 D N 0.219 120.609 120.400 -0.017 0.000 2.218 95 D HA -0.093 4.478 4.640 -0.116 0.000 0.204 95 D C 0.741 177.035 176.300 -0.009 0.000 0.976 95 D CA 1.115 55.111 54.000 -0.008 0.000 0.853 95 D CB 0.326 41.126 40.800 -0.000 0.000 0.939 95 D HN 0.387 nan 8.370 nan 0.000 0.481 96 E N -0.990 119.197 120.200 -0.022 0.000 2.538 96 E HA 0.255 4.536 4.350 -0.116 0.000 0.207 96 E C 1.140 177.729 176.600 -0.017 0.000 1.002 96 E CA 0.187 56.576 56.400 -0.019 0.000 0.952 96 E CB 1.091 30.777 29.700 -0.024 0.000 1.031 96 E HN 0.232 nan 8.360 nan 0.000 0.476 97 G N 1.417 110.210 108.800 -0.012 0.000 2.157 97 G HA2 -0.363 3.527 3.960 -0.116 0.000 0.239 97 G HA3 -0.363 3.527 3.960 -0.116 0.000 0.239 97 G C 1.229 176.185 174.900 0.094 0.000 0.982 97 G CA 0.511 45.628 45.100 0.028 0.000 0.650 97 G HN 0.401 nan 8.290 nan 0.000 0.527 98 A N -0.079 122.719 122.820 -0.036 0.000 2.032 98 A HA 0.166 4.416 4.320 -0.116 0.000 0.221 98 A C 2.349 179.983 177.584 0.084 0.000 1.165 98 A CA 1.825 53.767 52.037 -0.159 0.000 0.645 98 A CB -0.283 18.308 19.000 -0.683 0.000 0.807 98 A HN 0.866 nan 8.150 nan 0.000 0.453 99 L N -1.333 119.941 121.223 0.085 0.000 2.313 99 L HA 0.080 4.351 4.340 -0.116 0.000 0.214 99 L C 1.746 178.667 176.870 0.085 0.000 1.119 99 L CA 0.545 55.478 54.840 0.154 0.000 0.809 99 L CB -0.802 41.294 42.059 0.062 0.000 0.933 99 L HN 0.581 nan 8.230 nan 0.000 0.449 100 G N 2.023 110.781 108.800 -0.070 0.000 2.305 100 G HA2 -0.299 3.591 3.960 -0.116 0.000 0.287 100 G HA3 -0.299 3.591 3.960 -0.116 0.000 0.287 100 G C 0.213 174.844 174.900 -0.447 0.000 1.036 100 G CA 0.794 45.505 45.100 -0.648 0.000 0.887 100 G HN 0.630 nan 8.290 nan 0.000 0.505 101 R N -1.677 118.693 120.500 -0.216 0.000 2.716 101 R HA 0.555 4.825 4.340 -0.116 0.000 0.271 101 R C -1.626 174.618 176.300 -0.094 0.000 1.028 101 R CA -0.938 55.062 56.100 -0.165 0.000 0.883 101 R CB 0.580 30.797 30.300 -0.139 0.000 1.250 101 R HN 0.045 nan 8.270 nan 0.000 0.465 102 D N 1.323 121.675 120.400 -0.080 0.000 2.339 102 D HA 0.109 4.679 4.640 -0.116 0.000 0.256 102 D C 0.023 176.304 176.300 -0.032 0.000 1.214 102 D CA 0.174 54.143 54.000 -0.052 0.000 0.877 102 D CB 1.214 41.984 40.800 -0.050 0.000 1.111 102 D HN 0.587 nan 8.370 nan 0.000 0.478 103 T N 0.035 114.576 114.554 -0.020 0.000 3.308 103 T HA 0.183 4.464 4.350 -0.116 0.000 0.270 103 T C 1.309 176.005 174.700 -0.007 0.000 0.992 103 T CA -0.564 61.532 62.100 -0.007 0.000 0.931 103 T CB 0.049 68.919 68.868 0.004 0.000 1.142 103 T HN 0.123 nan 8.240 nan 0.000 0.525 104 S N 1.042 116.735 115.700 -0.012 0.000 2.382 104 S HA 0.003 4.404 4.470 -0.116 0.000 0.228 104 S C 1.084 175.680 174.600 -0.007 0.000 1.027 104 S CA 0.419 58.613 58.200 -0.010 0.000 0.991 104 S CB -0.212 62.980 63.200 -0.013 0.000 0.823 104 S HN 0.581 nan 8.310 nan 0.000 0.469 105 V N 3.133 123.043 119.914 -0.007 0.000 2.521 105 V HA 0.087 4.137 4.120 -0.116 0.000 0.286 105 V C 0.499 176.592 176.094 -0.002 0.000 1.034 105 V CA -0.525 61.772 62.300 -0.005 0.000 1.045 105 V CB 0.601 32.420 31.823 -0.007 0.000 0.974 105 V HN 0.415 nan 8.190 nan 0.000 0.480 106 E N 3.972 124.171 120.200 -0.002 0.000 2.529 106 E HA 0.179 4.460 4.350 -0.116 0.000 0.259 106 E C 1.290 177.890 176.600 -0.000 0.000 0.966 106 E CA 0.878 57.277 56.400 -0.001 0.000 0.937 106 E CB 0.079 29.778 29.700 -0.002 0.000 0.923 106 E HN 1.031 nan 8.360 nan 0.000 0.468 107 G N 3.026 111.828 108.800 0.002 0.000 2.225 107 G HA2 -0.401 3.489 3.960 -0.116 0.000 0.254 107 G HA3 -0.401 3.489 3.960 -0.116 0.000 0.254 107 G C 1.005 175.908 174.900 0.006 0.000 0.988 107 G CA 0.811 45.912 45.100 0.002 0.000 0.625 107 G HN 0.868 nan 8.290 nan 0.000 0.527 108 S N 1.062 116.767 115.700 0.009 0.000 2.442 108 S HA -0.099 4.302 4.470 -0.116 0.000 0.236 108 S C 1.893 176.515 174.600 0.037 0.000 1.007 108 S CA 1.798 60.008 58.200 0.016 0.000 0.965 108 S CB -0.230 62.976 63.200 0.009 0.000 0.773 108 S HN 0.911 nan 8.310 nan 0.000 0.504 109 E N 1.092 121.317 120.200 0.041 0.000 2.435 109 E HA 0.005 4.285 4.350 -0.116 0.000 0.195 109 E C 1.483 178.141 176.600 0.098 0.000 1.029 109 E CA 0.347 56.790 56.400 0.072 0.000 0.865 109 E CB -0.355 29.377 29.700 0.053 0.000 0.833 109 E HN 0.496 nan 8.360 nan 0.000 0.510 110 M N 1.455 121.085 119.600 0.051 0.000 2.556 110 M HA 0.139 4.550 4.480 -0.116 0.000 0.245 110 M C 0.965 177.244 176.300 -0.035 0.000 1.128 110 M CA 0.178 55.493 55.300 0.025 0.000 1.069 110 M CB 0.010 32.610 32.600 -0.001 0.000 1.469 110 M HN 0.008 nan 8.290 nan 0.000 0.494 111 V N -2.515 117.383 119.914 -0.028 0.000 3.001 111 V HA 0.678 4.729 4.120 -0.116 0.000 0.314 111 V C -2.949 173.121 176.094 -0.041 0.000 1.099 111 V CA -2.690 59.539 62.300 -0.119 0.000 0.989 111 V CB 1.390 33.167 31.823 -0.076 0.000 1.040 111 V HN -0.102 nan 8.190 nan 0.000 0.434 112 P HA 0.433 nan 4.420 nan 0.000 0.265 112 P C -0.025 177.411 177.300 0.227 0.000 1.193 112 P CA 0.757 63.962 63.100 0.176 0.000 0.765 112 P CB 0.593 32.335 31.700 0.069 0.000 0.823 113 G N 1.537 110.511 108.800 0.291 0.000 2.667 113 G HA2 0.452 4.343 3.960 -0.116 0.000 0.298 113 G HA3 0.452 4.343 3.960 -0.116 0.000 0.298 113 G C -1.401 173.538 174.900 0.064 0.000 1.377 113 G CA -0.683 44.511 45.100 0.156 0.000 0.964 113 G HN 0.373 nan 8.290 nan 0.000 0.493 114 K N 0.898 121.229 120.400 -0.116 0.000 2.270 114 K HA 0.429 4.680 4.320 -0.116 0.000 0.276 114 K C -0.277 176.156 176.600 -0.279 0.000 1.023 114 K CA -0.416 55.634 56.287 -0.395 0.000 0.955 114 K CB 1.028 33.269 32.500 -0.432 0.000 0.975 114 K HN 0.165 nan 8.250 nan 0.000 0.471 115 V N 4.574 124.293 119.914 -0.325 0.000 2.385 115 V HA 0.068 4.118 4.120 -0.116 0.000 0.269 115 V C -0.111 175.772 176.094 -0.352 0.000 1.043 115 V CA -0.403 61.686 62.300 -0.352 0.000 0.906 115 V CB 1.040 32.616 31.823 -0.411 0.000 0.995 115 V HN 0.813 nan 8.190 nan 0.000 0.467 116 E N 4.395 124.403 120.200 -0.321 0.000 2.161 116 E HA 0.224 4.504 4.350 -0.116 0.000 0.263 116 E C -0.770 175.645 176.600 -0.309 0.000 1.185 116 E CA -0.077 56.162 56.400 -0.269 0.000 0.938 116 E CB 0.468 30.043 29.700 -0.210 0.000 1.023 116 E HN 0.376 nan 8.360 nan 0.000 0.433 117 L N 3.718 124.763 121.223 -0.296 0.000 2.620 117 L HA 0.100 4.370 4.340 -0.116 0.000 0.261 117 L C -0.706 176.003 176.870 -0.268 0.000 0.978 117 L CA -0.025 54.610 54.840 -0.342 0.000 0.897 117 L CB 1.631 43.447 42.059 -0.404 0.000 1.207 117 L HN 0.343 nan 8.230 nan 0.000 0.425 118 Q N 4.080 123.742 119.800 -0.229 0.000 3.223 118 Q HA 0.241 4.511 4.340 -0.116 0.000 0.299 118 Q C -0.713 175.196 176.000 -0.152 0.000 1.385 118 Q CA 0.169 55.877 55.803 -0.157 0.000 0.942 118 Q CB 0.187 28.858 28.738 -0.113 0.000 1.748 118 Q HN 0.458 nan 8.270 nan 0.000 0.523 119 E N 0.762 120.862 120.200 -0.167 0.000 2.408 119 E HA 0.242 4.522 4.350 -0.116 0.000 0.275 119 E C -1.133 175.424 176.600 -0.072 0.000 0.935 119 E CA -0.783 55.545 56.400 -0.121 0.000 0.775 119 E CB 1.673 31.256 29.700 -0.195 0.000 1.277 119 E HN 0.053 nan 8.360 nan 0.000 0.455 120 K N 1.737 122.122 120.400 -0.025 0.000 2.250 120 K HA 0.323 4.574 4.320 -0.116 0.000 0.280 120 K C -0.711 175.892 176.600 0.005 0.000 1.098 120 K CA -0.333 55.949 56.287 -0.007 0.000 0.916 120 K CB 0.463 32.968 32.500 0.008 0.000 1.209 120 K HN 0.170 nan 8.250 nan 0.000 0.461 121 V N 5.015 124.930 119.914 0.002 0.000 2.583 121 V HA 0.045 4.095 4.120 -0.116 0.000 0.287 121 V C 1.060 177.147 176.094 -0.012 0.000 1.051 121 V CA -0.259 62.048 62.300 0.012 0.000 1.010 121 V CB 1.400 33.242 31.823 0.032 0.000 0.988 121 V HN 0.746 nan 8.190 nan 0.000 0.478 122 V N 1.162 121.039 119.914 -0.061 0.000 3.645 122 V HA 0.417 4.467 4.120 -0.116 0.000 0.275 122 V C 0.166 176.117 176.094 -0.238 0.000 1.356 122 V CA 0.359 62.575 62.300 -0.142 0.000 1.051 122 V CB -0.089 31.617 31.823 -0.195 0.000 0.828 122 V HN 0.867 nan 8.190 nan 0.000 0.441 123 Q N 0.672 120.365 119.800 -0.178 0.000 2.479 123 Q HA 0.605 4.876 4.340 -0.116 0.000 0.276 123 Q C -1.854 174.105 176.000 -0.067 0.000 0.989 123 Q CA -0.358 55.356 55.803 -0.148 0.000 0.864 123 Q CB 3.021 31.615 28.738 -0.241 0.000 1.444 123 Q HN 0.485 nan 8.270 nan 0.000 0.388 124 V N -0.442 119.441 119.914 -0.051 0.000 3.102 124 V HA 1.008 5.059 4.120 -0.116 0.000 0.312 124 V C -0.835 175.206 176.094 -0.088 0.000 1.135 124 V CA -0.152 62.114 62.300 -0.056 0.000 1.022 124 V CB 1.815 33.622 31.823 -0.026 0.000 1.056 124 V HN 0.885 nan 8.190 nan 0.000 0.436 125 S N 0.772 116.393 115.700 -0.132 0.000 2.556 125 S HA 0.970 5.371 4.470 -0.116 0.000 0.271 125 S C -0.648 173.811 174.600 -0.236 0.000 1.135 125 S CA -0.192 57.917 58.200 -0.151 0.000 0.858 125 S CB 1.692 64.825 63.200 -0.112 0.000 1.114 125 S HN 2.487 nan 8.310 nan 0.000 0.468 126 A N 1.054 123.706 122.820 -0.280 0.000 2.422 126 A HA 0.943 5.193 4.320 -0.116 0.000 0.302 126 A C 0.208 177.536 177.584 -0.427 0.000 1.041 126 A CA -0.360 51.445 52.037 -0.386 0.000 0.708 126 A CB 1.248 19.995 19.000 -0.420 0.000 1.257 126 A HN 1.528 nan 8.150 nan 0.000 0.414 127 G N -0.281 108.118 108.800 -0.669 0.000 3.008 127 G HA2 0.473 4.364 3.960 -0.116 0.000 0.181 127 G HA3 0.473 4.364 3.960 -0.116 0.000 0.181 127 G C -0.164 174.658 174.900 -0.129 0.000 1.309 127 G CA 0.033 44.878 45.100 -0.424 0.000 1.009 127 G HN 0.471 nan 8.290 nan 0.000 0.584 128 D N -0.619 119.786 120.400 0.009 0.000 2.162 128 D HA 0.064 4.635 4.640 -0.116 0.000 0.203 128 D C 1.958 178.290 176.300 0.053 0.000 0.967 128 D CA 1.261 55.302 54.000 0.069 0.000 0.840 128 D CB 0.368 41.227 40.800 0.098 0.000 0.972 128 D HN 0.180 nan 8.370 nan 0.000 0.482 129 S N -1.028 114.694 115.700 0.036 0.000 2.847 129 S HA 0.064 4.464 4.470 -0.116 0.000 0.254 129 S C 0.017 174.545 174.600 -0.119 0.000 1.039 129 S CA -0.599 57.570 58.200 -0.052 0.000 1.113 129 S CB 0.675 63.877 63.200 0.003 0.000 1.092 129 S HN 0.405 nan 8.310 nan 0.000 0.620 130 H N -0.333 118.605 119.070 -0.220 0.000 2.894 130 H HA 0.727 5.220 4.556 -0.105 0.000 0.368 130 H C -1.510 173.615 175.328 -0.337 0.000 1.181 130 H CA -0.509 55.318 56.048 -0.368 0.000 1.146 130 H CB 1.408 30.832 29.762 -0.563 0.000 1.839 130 H HN -0.123 nan 8.280 nan 0.000 0.557 131 T N 0.957 115.143 114.554 -0.613 0.000 2.952 131 T HA 0.666 4.947 4.350 -0.116 0.000 0.305 131 T C -0.809 173.328 174.700 -0.939 0.000 1.064 131 T CA -0.426 61.191 62.100 -0.806 0.000 1.008 131 T CB 1.572 69.819 68.868 -1.036 0.000 1.078 131 T HN 0.895 nan 8.240 nan 0.000 0.459 132 A N 1.722 124.209 122.820 -0.555 0.000 2.374 132 A HA 0.978 5.228 4.320 -0.116 0.000 0.317 132 A C -0.756 176.684 177.584 -0.241 0.000 1.094 132 A CA -0.872 50.957 52.037 -0.347 0.000 0.765 132 A CB 1.346 20.286 19.000 -0.100 0.000 1.268 132 A HN 1.170 nan 8.150 nan 0.000 0.438 133 A N 1.146 123.943 122.820 -0.038 0.000 2.374 133 A HA 0.661 4.912 4.320 -0.116 0.000 0.305 133 A C -1.373 176.298 177.584 0.146 0.000 1.053 133 A CA -0.420 51.679 52.037 0.104 0.000 0.726 133 A CB 1.152 20.333 19.000 0.302 0.000 1.229 133 A HN 1.531 nan 8.150 nan 0.000 0.431 134 L N 2.906 124.171 121.223 0.071 0.000 2.272 134 L HA 0.645 4.916 4.340 -0.116 0.000 0.289 134 L C 0.761 177.672 176.870 0.069 0.000 1.032 134 L CA 0.279 55.156 54.840 0.061 0.000 0.810 134 L CB 1.386 43.436 42.059 -0.014 0.000 1.205 134 L HN 0.860 nan 8.230 nan 0.000 0.422 135 T N -0.033 114.599 114.554 0.130 0.000 2.882 135 T HA 0.195 4.476 4.350 -0.116 0.000 0.287 135 T C 0.971 175.713 174.700 0.070 0.000 1.014 135 T CA 0.025 62.191 62.100 0.110 0.000 1.049 135 T CB 0.738 69.713 68.868 0.177 0.000 1.001 135 T HN 0.715 nan 8.240 nan 0.000 0.525 136 D N 0.514 120.948 120.400 0.056 0.000 2.265 136 D HA -0.182 4.389 4.640 -0.116 0.000 0.208 136 D C 1.051 177.395 176.300 0.074 0.000 0.977 136 D CA 1.208 55.244 54.000 0.060 0.000 0.871 136 D CB -0.346 40.484 40.800 0.051 0.000 0.925 136 D HN 0.837 nan 8.370 nan 0.000 0.485 137 D N -1.334 119.110 120.400 0.072 0.000 2.368 137 D HA 0.180 4.750 4.640 -0.116 0.000 0.218 137 D C 1.375 177.711 176.300 0.061 0.000 1.112 137 D CA 0.376 54.416 54.000 0.065 0.000 0.834 137 D CB -0.036 40.798 40.800 0.058 0.000 0.953 137 D HN 0.341 nan 8.370 nan 0.000 0.505 138 G N 1.044 109.886 108.800 0.069 0.000 2.141 138 G HA2 -0.280 3.610 3.960 -0.116 0.000 0.231 138 G HA3 -0.280 3.610 3.960 -0.116 0.000 0.231 138 G C 0.133 175.048 174.900 0.025 0.000 0.984 138 G CA -0.326 44.805 45.100 0.052 0.000 0.660 138 G HN 0.390 nan 8.290 nan 0.000 0.525 139 R N -0.597 119.931 120.500 0.046 0.000 2.457 139 R HA 0.620 4.891 4.340 -0.116 0.000 0.284 139 R C 0.007 176.313 176.300 0.011 0.000 1.024 139 R CA -0.519 55.579 56.100 -0.005 0.000 1.025 139 R CB 1.816 32.127 30.300 0.019 0.000 1.063 139 R HN 0.087 nan 8.270 nan 0.000 0.493 140 V N 4.053 123.899 119.914 -0.112 0.000 2.417 140 V HA 0.401 4.452 4.120 -0.116 0.000 0.291 140 V C -0.722 175.259 176.094 -0.187 0.000 1.024 140 V CA -0.526 61.739 62.300 -0.058 0.000 0.861 140 V CB 0.971 32.757 31.823 -0.061 0.000 0.985 140 V HN 0.515 nan 8.190 nan 0.000 0.436 141 F N 4.895 124.891 119.950 0.078 0.000 2.480 141 F HA 0.793 5.247 4.527 -0.120 0.000 0.329 141 F C -0.183 175.704 175.800 0.144 0.000 1.091 141 F CA -0.662 57.431 58.000 0.156 0.000 0.972 141 F CB 1.912 41.060 39.000 0.247 0.000 1.150 141 F HN 0.328 nan 8.300 nan 0.000 0.467 142 L N 3.344 124.766 121.223 0.331 0.000 2.434 142 L HA 0.733 5.004 4.340 -0.116 0.000 0.260 142 L C -1.860 175.206 176.870 0.326 0.000 0.983 142 L CA -0.657 54.254 54.840 0.119 0.000 0.820 142 L CB 1.891 43.956 42.059 0.011 0.000 1.361 142 L HN 0.708 nan 8.230 nan 0.000 0.410 143 W N 2.979 124.280 121.300 0.002 0.000 3.074 143 W HA 0.870 5.472 4.660 -0.096 0.000 0.332 143 W C -0.021 176.444 176.519 -0.090 0.000 1.253 143 W CA -0.364 56.959 57.345 -0.038 0.000 1.180 143 W CB 0.266 29.715 29.460 -0.019 0.000 1.445 143 W HN 1.066 nan 8.180 nan 0.000 0.573 144 G N 0.524 109.409 108.800 0.142 0.000 2.513 144 G HA2 0.325 4.215 3.960 -0.116 0.000 0.227 144 G HA3 0.325 4.215 3.960 -0.116 0.000 0.227 144 G C -0.423 174.410 174.900 -0.112 0.000 1.176 144 G CA 0.145 45.239 45.100 -0.010 0.000 0.967 144 G HN 1.809 nan 8.290 nan 0.000 0.587 145 S N -1.665 113.915 115.700 -0.200 0.000 2.611 145 S HA 0.763 5.163 4.470 -0.116 0.000 0.268 145 S C -1.642 172.773 174.600 -0.308 0.000 1.156 145 S CA -0.321 57.736 58.200 -0.238 0.000 0.817 145 S CB 0.995 64.157 63.200 -0.063 0.000 1.122 145 S HN 1.034 nan 8.310 nan 0.000 0.466 146 F N 1.436 121.402 119.950 0.026 0.000 2.492 146 F HA 0.699 5.148 4.527 -0.129 0.000 0.327 146 F C 0.770 176.601 175.800 0.052 0.000 1.079 146 F CA -0.831 57.188 58.000 0.032 0.000 0.967 146 F CB 1.882 40.872 39.000 -0.017 0.000 1.169 146 F HN 0.366 nan 8.300 nan 0.000 0.472 147 R N 0.933 121.600 120.500 0.279 0.000 2.807 147 R HA 0.417 4.687 4.340 -0.116 0.000 0.276 147 R C -1.348 175.053 176.300 0.169 0.000 0.979 147 R CA -1.004 55.205 56.100 0.181 0.000 0.928 147 R CB 2.100 32.487 30.300 0.145 0.000 1.191 147 R HN 0.728 nan 8.270 nan 0.000 0.471 148 D N -0.524 119.949 120.400 0.122 0.000 2.758 148 D HA 0.030 4.600 4.640 -0.116 0.000 0.262 148 D C 0.013 176.360 176.300 0.079 0.000 1.113 148 D CA -0.724 53.335 54.000 0.098 0.000 1.114 148 D CB 0.169 41.014 40.800 0.075 0.000 1.363 148 D HN 0.306 nan 8.370 nan 0.000 0.617 149 N N -1.123 117.610 118.700 0.055 0.000 2.567 149 N HA 0.012 4.682 4.740 -0.116 0.000 0.195 149 N C -0.284 175.252 175.510 0.043 0.000 1.242 149 N CA 0.315 53.390 53.050 0.043 0.000 0.884 149 N CB -0.285 38.217 38.487 0.024 0.000 1.007 149 N HN 0.240 nan 8.380 nan 0.000 0.450 150 N N -0.903 117.826 118.700 0.049 0.000 2.082 150 N HA 0.234 4.904 4.740 -0.116 0.000 0.228 150 N C 0.179 175.717 175.510 0.047 0.000 1.341 150 N CA 0.611 53.687 53.050 0.043 0.000 0.873 150 N CB 1.402 39.911 38.487 0.037 0.000 1.137 150 N HN 0.234 nan 8.380 nan 0.000 0.505 151 G N 0.002 108.837 108.800 0.058 0.000 2.352 151 G HA2 -0.160 3.730 3.960 -0.116 0.000 0.324 151 G HA3 -0.160 3.730 3.960 -0.116 0.000 0.324 151 G C -1.033 173.909 174.900 0.071 0.000 1.249 151 G CA -0.699 44.437 45.100 0.060 0.000 1.053 151 G HN -0.054 nan 8.290 nan 0.000 0.492 152 V N 1.275 121.228 119.914 0.065 0.000 2.540 152 V HA 0.293 4.343 4.120 -0.116 0.000 0.297 152 V C 1.873 178.012 176.094 0.075 0.000 1.024 152 V CA 1.280 63.623 62.300 0.072 0.000 1.105 152 V CB 0.637 32.491 31.823 0.052 0.000 0.938 152 V HN 1.021 nan 8.190 nan 0.000 0.482 153 I N 1.756 122.387 120.570 0.102 0.000 4.139 153 I HA 0.697 4.797 4.170 -0.116 0.000 0.335 153 I C 0.838 177.017 176.117 0.104 0.000 1.327 153 I CA 0.408 61.765 61.300 0.095 0.000 1.112 153 I CB 0.243 38.304 38.000 0.101 0.000 1.058 153 I HN 0.805 nan 8.210 nan 0.000 0.396 154 G N 1.433 110.300 108.800 0.111 0.000 2.498 154 G HA2 -0.127 3.764 3.960 -0.116 0.000 0.651 154 G HA3 -0.127 3.764 3.960 -0.116 0.000 0.651 154 G C -0.733 174.246 174.900 0.130 0.000 1.284 154 G CA -0.103 45.054 45.100 0.094 0.000 0.950 154 G HN 0.179 nan 8.290 nan 0.000 0.511 155 L N -1.144 120.127 121.223 0.081 0.000 2.924 155 L HA 0.640 4.910 4.340 -0.116 0.000 0.172 155 L C 2.177 179.147 176.870 0.168 0.000 1.292 155 L CA 1.042 55.903 54.840 0.036 0.000 0.870 155 L CB -0.297 41.715 42.059 -0.080 0.000 1.305 155 L HN 0.603 nan 8.230 nan 0.000 0.535 156 L N -1.070 120.208 121.223 0.092 0.000 2.575 156 L HA 0.304 4.574 4.340 -0.116 0.000 0.228 156 L C -0.181 176.727 176.870 0.062 0.000 1.075 156 L CA -0.031 54.861 54.840 0.086 0.000 0.867 156 L CB 0.391 42.483 42.059 0.054 0.000 1.097 156 L HN 0.227 nan 8.230 nan 0.000 0.485 157 E N 0.256 120.489 120.200 0.055 0.000 2.238 157 E HA 0.337 4.618 4.350 -0.116 0.000 0.267 157 E C -2.466 174.160 176.600 0.044 0.000 0.887 157 E CA -2.347 54.076 56.400 0.039 0.000 0.769 157 E CB 1.594 31.311 29.700 0.028 0.000 1.187 157 E HN -0.207 nan 8.360 nan 0.000 0.416 158 P HA -0.114 nan 4.420 nan 0.000 0.263 158 P C -0.038 177.282 177.300 0.033 0.000 1.175 158 P CA 0.466 63.586 63.100 0.033 0.000 0.761 158 P CB 0.271 31.981 31.700 0.017 0.000 0.794 159 M N -0.400 119.225 119.600 0.040 0.000 2.703 159 M HA -0.260 4.151 4.480 -0.116 0.000 0.186 159 M C -0.502 175.817 176.300 0.032 0.000 0.582 159 M CA 1.522 56.844 55.300 0.036 0.000 0.578 159 M CB -2.446 30.170 32.600 0.026 0.000 2.115 159 M HN 0.443 nan 8.290 nan 0.000 0.611 160 K N 1.190 121.612 120.400 0.035 0.000 2.502 160 K HA 0.457 4.708 4.320 -0.116 0.000 0.254 160 K C 0.253 176.867 176.600 0.024 0.000 0.947 160 K CA -0.697 55.607 56.287 0.027 0.000 0.834 160 K CB 2.421 34.935 32.500 0.024 0.000 1.112 160 K HN 0.327 nan 8.250 nan 0.000 0.427 161 K N 0.223 120.633 120.400 0.016 0.000 2.098 161 K HA 0.430 4.680 4.320 -0.116 0.000 0.244 161 K C -0.346 176.263 176.600 0.016 0.000 1.014 161 K CA -0.672 55.617 56.287 0.004 0.000 0.917 161 K CB 1.594 34.094 32.500 0.000 0.000 1.072 161 K HN 0.270 nan 8.250 nan 0.000 0.477 162 S N 1.274 116.991 115.700 0.027 0.000 2.647 162 S HA 0.260 4.660 4.470 -0.116 0.000 0.300 162 S C 0.541 175.183 174.600 0.070 0.000 1.129 162 S CA -0.949 57.282 58.200 0.051 0.000 1.029 162 S CB 0.936 64.182 63.200 0.076 0.000 1.007 162 S HN 0.676 nan 8.310 nan 0.000 0.484 163 M N 3.568 123.187 119.600 0.031 0.000 2.562 163 M HA 0.126 4.537 4.480 -0.116 0.000 0.257 163 M C 0.658 176.930 176.300 -0.046 0.000 1.099 163 M CA 0.620 55.924 55.300 0.007 0.000 1.099 163 M CB -1.148 31.441 32.600 -0.017 0.000 1.427 163 M HN 0.601 nan 8.290 nan 0.000 0.489 164 V N -2.699 117.194 119.914 -0.035 0.000 2.960 164 V HA 0.643 4.694 4.120 -0.116 0.000 0.315 164 V C -2.862 173.217 176.094 -0.025 0.000 1.087 164 V CA -2.770 59.456 62.300 -0.123 0.000 0.982 164 V CB 1.232 32.995 31.823 -0.101 0.000 1.039 164 V HN -0.098 nan 8.190 nan 0.000 0.437 165 P HA 0.290 nan 4.420 nan 0.000 0.264 165 P C -0.585 176.897 177.300 0.303 0.000 1.193 165 P CA 0.254 63.459 63.100 0.176 0.000 0.763 165 P CB 0.650 32.297 31.700 -0.087 0.000 0.810 166 V N 1.086 121.230 119.914 0.383 0.000 2.735 166 V HA 0.474 4.524 4.120 -0.116 0.000 0.310 166 V C -0.397 175.768 176.094 0.118 0.000 1.061 166 V CA -1.105 61.339 62.300 0.241 0.000 0.913 166 V CB 1.847 33.746 31.823 0.126 0.000 1.005 166 V HN 0.393 nan 8.190 nan 0.000 0.428 167 Q N 2.067 121.785 119.800 -0.136 0.000 2.314 167 Q HA 0.514 4.785 4.340 -0.116 0.000 0.258 167 Q C -0.868 174.960 176.000 -0.286 0.000 0.954 167 Q CA -0.479 54.965 55.803 -0.598 0.000 0.890 167 Q CB 1.765 30.061 28.738 -0.737 0.000 1.210 167 Q HN 0.813 nan 8.270 nan 0.000 0.410 168 V N 5.042 124.788 119.914 -0.280 0.000 2.455 168 V HA 0.043 4.094 4.120 -0.116 0.000 0.273 168 V C -0.027 175.970 176.094 -0.161 0.000 1.045 168 V CA -0.472 61.738 62.300 -0.150 0.000 0.976 168 V CB 1.249 33.006 31.823 -0.109 0.000 0.993 168 V HN 0.753 nan 8.190 nan 0.000 0.475 169 Q N 5.709 125.442 119.800 -0.111 0.000 2.300 169 Q HA 0.464 4.735 4.340 -0.116 0.000 0.262 169 Q C -0.770 175.164 176.000 -0.109 0.000 1.109 169 Q CA 0.379 56.121 55.803 -0.101 0.000 0.905 169 Q CB 0.858 29.558 28.738 -0.064 0.000 1.280 169 Q HN 0.588 nan 8.270 nan 0.000 0.426 170 L N 2.251 123.393 121.223 -0.135 0.000 2.445 170 L HA 0.321 4.592 4.340 -0.116 0.000 0.262 170 L C 0.310 177.101 176.870 -0.132 0.000 0.974 170 L CA -0.621 54.114 54.840 -0.175 0.000 0.822 170 L CB 2.337 44.239 42.059 -0.263 0.000 1.339 170 L HN 0.494 nan 8.230 nan 0.000 0.409 171 D N 1.797 122.128 120.400 -0.115 0.000 2.336 171 D HA 0.107 4.677 4.640 -0.116 0.000 0.228 171 D C 0.086 176.349 176.300 -0.062 0.000 1.120 171 D CA 0.313 54.272 54.000 -0.068 0.000 0.839 171 D CB 0.547 41.325 40.800 -0.038 0.000 0.932 171 D HN 0.195 nan 8.370 nan 0.000 0.509 172 V N -3.284 116.571 119.914 -0.099 0.000 2.971 172 V HA 0.593 4.643 4.120 -0.116 0.000 0.309 172 V C -3.163 172.887 176.094 -0.072 0.000 1.130 172 V CA -2.366 59.893 62.300 -0.068 0.000 0.964 172 V CB 2.030 33.817 31.823 -0.060 0.000 1.029 172 V HN -0.324 nan 8.190 nan 0.000 0.427 173 P HA 0.399 nan 4.420 nan 0.000 0.271 173 P C -0.672 176.623 177.300 -0.008 0.000 1.216 173 P CA -0.064 63.031 63.100 -0.009 0.000 0.776 173 P CB 1.060 32.773 31.700 0.021 0.000 0.881 174 V N 3.513 123.423 119.914 -0.007 0.000 2.532 174 V HA 0.157 4.208 4.120 -0.116 0.000 0.295 174 V C 1.309 177.431 176.094 0.047 0.000 1.041 174 V CA -0.182 62.117 62.300 -0.000 0.000 0.926 174 V CB 1.753 33.558 31.823 -0.029 0.000 0.992 174 V HN 0.497 nan 8.190 nan 0.000 0.457 175 V N 1.206 121.150 119.914 0.050 0.000 3.621 175 V HA 0.475 4.525 4.120 -0.116 0.000 0.263 175 V C 0.381 176.531 176.094 0.094 0.000 1.272 175 V CA 0.470 62.831 62.300 0.103 0.000 1.080 175 V CB -0.145 31.736 31.823 0.097 0.000 0.816 175 V HN 0.759 nan 8.190 nan 0.000 0.451 176 K N 1.098 121.464 120.400 -0.057 0.000 2.543 176 K HA 0.620 4.871 4.320 -0.116 0.000 0.255 176 K C -1.545 174.991 176.600 -0.106 0.000 0.934 176 K CA -0.411 55.797 56.287 -0.133 0.000 0.810 176 K CB 2.895 35.100 32.500 -0.492 0.000 1.315 176 K HN 0.215 nan 8.250 nan 0.000 0.433 177 V N -0.193 119.672 119.914 -0.081 0.000 2.628 177 V HA 1.004 5.055 4.120 -0.116 0.000 0.306 177 V C -0.786 175.252 176.094 -0.093 0.000 1.045 177 V CA -0.717 61.539 62.300 -0.073 0.000 0.905 177 V CB 1.270 33.063 31.823 -0.049 0.000 0.997 177 V HN 0.881 nan 8.190 nan 0.000 0.436 178 A N 2.641 125.401 122.820 -0.099 0.000 2.520 178 A HA 0.905 5.156 4.320 -0.116 0.000 0.298 178 A C -0.488 177.018 177.584 -0.129 0.000 1.051 178 A CA -0.502 51.467 52.037 -0.114 0.000 0.690 178 A CB 2.033 20.949 19.000 -0.139 0.000 1.281 178 A HN 1.012 nan 8.150 nan 0.000 0.402 179 S N -0.040 115.573 115.700 -0.144 0.000 2.526 179 S HA 0.800 5.200 4.470 -0.116 0.000 0.293 179 S C 0.407 174.843 174.600 -0.273 0.000 1.092 179 S CA -0.046 58.059 58.200 -0.159 0.000 0.980 179 S CB 1.886 65.067 63.200 -0.032 0.000 1.048 179 S HN 1.358 nan 8.310 nan 0.000 0.483 180 G N 1.242 109.770 108.800 -0.453 0.000 2.671 180 G HA2 0.309 4.199 3.960 -0.116 0.000 0.275 180 G HA3 0.309 4.199 3.960 -0.116 0.000 0.275 180 G C 0.535 175.384 174.900 -0.085 0.000 1.368 180 G CA -0.488 44.421 45.100 -0.319 0.000 1.044 180 G HN 0.562 nan 8.290 nan 0.000 0.543 181 N N 0.198 118.852 118.700 -0.077 0.000 2.084 181 N HA -0.041 4.629 4.740 -0.116 0.000 0.190 181 N C 0.594 176.249 175.510 0.242 0.000 1.030 181 N CA 1.299 54.350 53.050 0.002 0.000 0.849 181 N CB 0.208 38.625 38.487 -0.117 0.000 1.012 181 N HN 0.438 nan 8.380 nan 0.000 0.423 182 D N -0.621 119.979 120.400 0.333 0.000 2.760 182 D HA 0.052 4.623 4.640 -0.116 0.000 0.314 182 D C -0.577 175.869 176.300 0.243 0.000 1.464 182 D CA -0.109 54.148 54.000 0.430 0.000 0.797 182 D CB 0.448 41.457 40.800 0.348 0.000 1.149 182 D HN 0.443 nan 8.370 nan 0.000 0.455 183 H N -0.927 118.166 119.070 0.038 0.000 3.012 183 H HA 0.559 5.055 4.556 -0.099 0.000 0.367 183 H C -1.802 173.492 175.328 -0.057 0.000 1.211 183 H CA -0.941 54.966 56.048 -0.236 0.000 1.139 183 H CB 1.898 31.559 29.762 -0.169 0.000 1.838 183 H HN -0.068 nan 8.280 nan 0.000 0.550 184 L N 2.750 123.870 121.223 -0.172 0.000 2.365 184 L HA 0.575 4.846 4.340 -0.116 0.000 0.273 184 L C -0.954 175.889 176.870 -0.044 0.000 1.000 184 L CA -0.739 54.054 54.840 -0.079 0.000 0.819 184 L CB 1.630 43.710 42.059 0.035 0.000 1.284 184 L HN 0.645 nan 8.230 nan 0.000 0.418 185 V N 2.599 122.480 119.914 -0.055 0.000 2.604 185 V HA 0.724 4.774 4.120 -0.116 0.000 0.305 185 V C -0.551 175.530 176.094 -0.022 0.000 1.043 185 V CA -0.708 61.586 62.300 -0.010 0.000 0.888 185 V CB 1.804 33.614 31.823 -0.022 0.000 0.995 185 V HN 0.849 nan 8.190 nan 0.000 0.429 186 M N 5.435 125.048 119.600 0.021 0.000 2.142 186 M HA 0.517 4.928 4.480 -0.116 0.000 0.299 186 M C -1.209 175.116 176.300 0.042 0.000 0.960 186 M CA -0.545 54.761 55.300 0.011 0.000 0.920 186 M CB 2.052 34.661 32.600 0.015 0.000 1.541 186 M HN 0.717 nan 8.290 nan 0.000 0.429 187 L N 4.142 125.357 121.223 -0.013 0.000 2.276 187 L HA 0.551 4.821 4.340 -0.116 0.000 0.286 187 L C 0.366 177.266 176.870 0.049 0.000 1.061 187 L CA 0.293 55.146 54.840 0.021 0.000 0.807 187 L CB 1.269 43.293 42.059 -0.059 0.000 1.177 187 L HN 0.825 nan 8.230 nan 0.000 0.429 188 T N 1.810 116.433 114.554 0.115 0.000 2.847 188 T HA 0.539 4.820 4.350 -0.116 0.000 0.279 188 T C 1.249 176.013 174.700 0.107 0.000 0.984 188 T CA -0.185 61.970 62.100 0.091 0.000 0.988 188 T CB 1.227 70.162 68.868 0.111 0.000 1.040 188 T HN 0.747 nan 8.240 nan 0.000 0.528 189 A N 0.449 123.321 122.820 0.086 0.000 2.076 189 A HA -0.042 4.208 4.320 -0.116 0.000 0.220 189 A C 1.812 179.465 177.584 0.115 0.000 1.160 189 A CA 1.399 53.492 52.037 0.094 0.000 0.653 189 A CB -0.734 18.307 19.000 0.068 0.000 0.801 189 A HN 0.889 nan 8.150 nan 0.000 0.455 190 D N -1.663 118.812 120.400 0.125 0.000 2.339 190 D HA 0.245 4.816 4.640 -0.116 0.000 0.217 190 D C 1.335 177.732 176.300 0.162 0.000 1.050 190 D CA 1.051 55.134 54.000 0.138 0.000 0.856 190 D CB 0.298 41.175 40.800 0.129 0.000 0.922 190 D HN 0.591 nan 8.370 nan 0.000 0.518 191 G N 1.297 110.206 108.800 0.183 0.000 2.159 191 G HA2 -0.195 3.695 3.960 -0.116 0.000 0.227 191 G HA3 -0.195 3.695 3.960 -0.116 0.000 0.227 191 G C -0.152 174.849 174.900 0.168 0.000 0.986 191 G CA -0.322 44.873 45.100 0.159 0.000 0.651 191 G HN 0.180 nan 8.290 nan 0.000 0.523 192 D N -0.138 120.396 120.400 0.224 0.000 2.264 192 D HA 0.519 5.089 4.640 -0.116 0.000 0.249 192 D C -0.011 176.457 176.300 0.280 0.000 1.070 192 D CA -0.127 54.041 54.000 0.281 0.000 0.912 192 D CB 2.021 43.019 40.800 0.329 0.000 1.193 192 D HN 0.173 nan 8.370 nan 0.000 0.427 193 L N 3.035 124.360 121.223 0.171 0.000 2.294 193 L HA 0.285 4.555 4.340 -0.116 0.000 0.283 193 L C -1.531 175.323 176.870 -0.027 0.000 1.015 193 L CA -0.532 54.336 54.840 0.047 0.000 0.831 193 L CB 0.536 42.467 42.059 -0.214 0.000 1.217 193 L HN 0.189 nan 8.230 nan 0.000 0.420 194 Y N 2.466 122.752 120.300 -0.023 0.000 2.361 194 Y HA 0.712 5.191 4.550 -0.119 0.000 0.332 194 Y C 0.680 176.563 175.900 -0.028 0.000 1.101 194 Y CA -0.441 57.644 58.100 -0.026 0.000 1.137 194 Y CB 2.030 40.478 38.460 -0.020 0.000 1.207 194 Y HN 0.665 nan 8.280 nan 0.000 0.463 195 T N 2.472 117.066 114.554 0.066 0.000 2.903 195 T HA 0.882 5.162 4.350 -0.116 0.000 0.299 195 T C -1.050 173.650 174.700 0.000 0.000 1.093 195 T CA -0.878 61.247 62.100 0.042 0.000 1.002 195 T CB 1.590 70.483 68.868 0.043 0.000 1.127 195 T HN 0.772 nan 8.240 nan 0.000 0.488 196 L N -1.352 119.833 121.223 -0.062 0.000 2.775 196 L HA 0.876 5.147 4.340 -0.116 0.000 0.263 196 L C 0.007 176.596 176.870 -0.468 0.000 1.017 196 L CA -0.495 54.244 54.840 -0.168 0.000 0.891 196 L CB 1.335 43.341 42.059 -0.088 0.000 1.482 196 L HN 1.469 nan 8.230 nan 0.000 0.410 197 G N -0.390 108.021 108.800 -0.648 0.000 2.341 197 G HA2 -0.098 3.793 3.960 -0.116 0.000 0.196 197 G HA3 -0.098 3.793 3.960 -0.116 0.000 0.196 197 G C -0.822 173.794 174.900 -0.473 0.000 1.231 197 G CA -0.243 44.140 45.100 -1.194 0.000 1.155 197 G HN 1.187 nan 8.290 nan 0.000 0.529 198 C N 1.627 120.736 119.300 -0.318 0.000 2.585 198 C HA 0.662 5.053 4.460 -0.116 0.000 0.406 198 C C 1.712 176.654 174.990 -0.081 0.000 1.312 198 C CA 1.324 60.287 59.018 -0.092 0.000 1.924 198 C CB -0.067 27.686 27.740 0.023 0.000 2.578 198 C HN 1.907 nan 8.230 nan 0.000 0.580 199 G N 3.418 112.201 108.800 -0.029 0.000 3.839 199 G HA2 0.113 4.004 3.960 -0.116 0.000 0.286 199 G HA3 0.113 4.004 3.960 -0.116 0.000 0.286 199 G C 0.906 175.849 174.900 0.072 0.000 1.005 199 G CA 0.070 45.165 45.100 -0.008 0.000 0.824 199 G HN 0.862 nan 8.290 nan 0.000 0.489 200 E N 0.076 120.316 120.200 0.066 0.000 2.130 200 E HA -0.209 4.072 4.350 -0.116 0.000 0.196 200 E C 1.897 178.548 176.600 0.086 0.000 0.998 200 E CA 1.244 57.713 56.400 0.115 0.000 0.806 200 E CB 0.274 30.009 29.700 0.058 0.000 0.738 200 E HN 0.374 nan 8.360 nan 0.000 0.459 201 Q N -1.859 117.883 119.800 -0.096 0.000 2.282 201 Q HA 0.230 4.501 4.340 -0.116 0.000 0.206 201 Q C 0.739 176.342 176.000 -0.661 0.000 0.878 201 Q CA 0.589 56.227 55.803 -0.275 0.000 0.944 201 Q CB 1.545 30.199 28.738 -0.139 0.000 1.100 201 Q HN 0.347 nan 8.270 nan 0.000 0.509 202 G N 0.719 109.114 108.800 -0.674 0.000 2.175 202 G HA2 -0.322 3.569 3.960 -0.116 0.000 0.244 202 G HA3 -0.322 3.569 3.960 -0.116 0.000 0.244 202 G C 0.931 175.723 174.900 -0.180 0.000 0.982 202 G CA 0.453 45.142 45.100 -0.687 0.000 0.641 202 G HN 0.409 nan 8.290 nan 0.000 0.527 203 Q N 0.355 120.047 119.800 -0.181 0.000 2.508 203 Q HA 0.093 4.364 4.340 -0.116 0.000 0.214 203 Q C 2.201 178.206 176.000 0.007 0.000 0.979 203 Q CA 1.353 57.045 55.803 -0.184 0.000 0.911 203 Q CB -0.229 28.106 28.738 -0.672 0.000 0.969 203 Q HN 0.631 nan 8.270 nan 0.000 0.504 204 L N -0.153 121.071 121.223 0.001 0.000 2.477 204 L HA 0.204 4.475 4.340 -0.116 0.000 0.220 204 L C 1.314 178.080 176.870 -0.173 0.000 1.106 204 L CA 0.405 55.248 54.840 0.005 0.000 0.851 204 L CB -0.328 41.702 42.059 -0.049 0.000 0.994 204 L HN 0.414 nan 8.230 nan 0.000 0.462 205 G N 2.110 110.710 108.800 -0.333 0.000 2.258 205 G HA2 -0.335 3.555 3.960 -0.116 0.000 0.274 205 G HA3 -0.335 3.555 3.960 -0.116 0.000 0.274 205 G C 0.786 175.386 174.900 -0.500 0.000 1.021 205 G CA 0.954 45.530 45.100 -0.874 0.000 0.798 205 G HN 0.661 nan 8.290 nan 0.000 0.507 206 R N -2.372 117.982 120.500 -0.243 0.000 2.504 206 R HA 0.459 4.730 4.340 -0.116 0.000 0.396 206 R C -0.448 175.812 176.300 -0.068 0.000 0.896 206 R CA -0.172 55.829 56.100 -0.165 0.000 1.152 206 R CB 0.365 30.560 30.300 -0.175 0.000 1.681 206 R HN 0.364 nan 8.270 nan 0.000 0.537 207 V N 2.530 122.438 119.914 -0.009 0.000 2.487 207 V HA 0.463 4.513 4.120 -0.116 0.000 0.298 207 V C -2.403 173.701 176.094 0.017 0.000 1.028 207 V CA -2.304 60.023 62.300 0.045 0.000 0.860 207 V CB 2.144 34.031 31.823 0.106 0.000 0.991 207 V HN 0.037 nan 8.190 nan 0.000 0.427 208 P HA 0.140 nan 4.420 nan 0.000 0.272 208 P C 0.892 177.895 177.300 -0.495 0.000 1.223 208 P CA -0.125 62.778 63.100 -0.328 0.000 0.784 208 P CB 0.832 32.224 31.700 -0.513 0.000 0.923 209 E N 1.230 120.933 120.200 -0.829 0.000 2.171 209 E HA -0.224 4.056 4.350 -0.116 0.000 0.197 209 E C 1.487 177.740 176.600 -0.579 0.000 0.997 209 E CA 0.882 56.525 56.400 -1.261 0.000 0.810 209 E CB -0.225 28.784 29.700 -1.151 0.000 0.738 209 E HN 0.243 nan 8.360 nan 0.000 0.467 210 L N -0.179 120.770 121.223 -0.456 0.000 2.265 210 L HA -0.084 4.187 4.340 -0.116 0.000 0.215 210 L C 1.164 178.074 176.870 0.066 0.000 1.117 210 L CA 1.562 56.242 54.840 -0.267 0.000 0.782 210 L CB -0.121 41.697 42.059 -0.403 0.000 0.914 210 L HN 0.198 nan 8.230 nan 0.000 0.441 211 F N -2.293 117.571 119.950 -0.142 0.000 2.654 211 F HA 0.274 4.731 4.527 -0.117 0.000 0.303 211 F C 1.984 177.753 175.800 -0.051 0.000 1.099 211 F CA -0.073 57.878 58.000 -0.081 0.000 1.270 211 F CB -0.113 38.848 39.000 -0.064 0.000 1.024 211 F HN 0.077 nan 8.300 nan 0.000 0.548 212 A N 0.551 123.426 122.820 0.093 0.000 1.940 212 A HA -0.255 3.995 4.320 -0.116 0.000 0.219 212 A C 1.155 178.813 177.584 0.124 0.000 1.176 212 A CA 1.339 53.463 52.037 0.145 0.000 0.631 212 A CB -0.633 18.473 19.000 0.178 0.000 0.814 212 A HN 0.334 nan 8.150 nan 0.000 0.446 213 N N 0.206 118.958 118.700 0.087 0.000 2.508 213 N HA 0.177 4.847 4.740 -0.116 0.000 0.253 213 N C -0.072 175.465 175.510 0.045 0.000 1.145 213 N CA -0.097 52.990 53.050 0.063 0.000 0.973 213 N CB -0.587 37.927 38.487 0.046 0.000 1.305 213 N HN 0.296 nan 8.380 nan 0.000 0.506 214 R N 2.630 123.155 120.500 0.041 0.000 3.516 214 R HA -0.219 4.052 4.340 -0.116 0.000 0.271 214 R C 0.874 177.171 176.300 -0.005 0.000 1.098 214 R CA 0.666 56.778 56.100 0.020 0.000 0.732 214 R CB -2.151 28.157 30.300 0.014 0.000 1.152 214 R HN 0.888 nan 8.270 nan 0.000 0.455 215 G N -1.776 107.030 108.800 0.010 0.000 2.179 215 G HA2 -0.215 3.676 3.960 -0.116 0.000 0.260 215 G HA3 -0.215 3.676 3.960 -0.116 0.000 0.260 215 G C 0.848 175.650 174.900 -0.164 0.000 0.977 215 G CA 0.558 45.629 45.100 -0.048 0.000 0.641 215 G HN 1.416 nan 8.290 nan 0.000 0.533 216 G N -0.417 108.346 108.800 -0.062 0.000 2.552 216 G HA2 -0.271 3.620 3.960 -0.116 0.000 0.265 216 G HA3 -0.271 3.620 3.960 -0.116 0.000 0.265 216 G C 0.846 175.648 174.900 -0.164 0.000 1.234 216 G CA 0.968 46.023 45.100 -0.075 0.000 0.944 216 G HN 1.061 nan 8.290 nan 0.000 0.568 217 R N 0.172 120.558 120.500 -0.190 0.000 2.127 217 R HA -0.079 4.191 4.340 -0.116 0.000 0.238 217 R C 2.716 178.895 176.300 -0.203 0.000 1.134 217 R CA 1.968 57.972 56.100 -0.160 0.000 0.975 217 R CB -0.258 29.971 30.300 -0.118 0.000 0.865 217 R HN 0.674 nan 8.270 nan 0.000 0.447 218 Q N -0.101 119.494 119.800 -0.341 0.000 2.472 218 Q HA 0.087 4.357 4.340 -0.116 0.000 0.208 218 Q C 0.658 176.545 176.000 -0.188 0.000 0.958 218 Q CA 0.384 56.018 55.803 -0.282 0.000 0.932 218 Q CB 0.500 28.997 28.738 -0.401 0.000 1.007 218 Q HN 0.429 nan 8.270 nan 0.000 0.508 219 G N 0.183 108.883 108.800 -0.166 0.000 2.757 219 G HA2 -0.283 3.607 3.960 -0.116 0.000 0.638 219 G HA3 -0.283 3.607 3.960 -0.116 0.000 0.638 219 G C 0.138 174.993 174.900 -0.074 0.000 1.344 219 G CA -0.454 44.589 45.100 -0.096 0.000 0.855 219 G HN 0.190 nan 8.290 nan 0.000 0.537 220 L N 0.230 121.430 121.223 -0.038 0.000 2.275 220 L HA -0.023 4.247 4.340 -0.116 0.000 0.215 220 L C 2.791 179.652 176.870 -0.015 0.000 1.119 220 L CA 1.822 56.652 54.840 -0.017 0.000 0.790 220 L CB -0.446 41.616 42.059 0.006 0.000 0.919 220 L HN 0.797 nan 8.230 nan 0.000 0.443 221 E N 0.231 120.418 120.200 -0.023 0.000 2.108 221 E HA -0.334 3.947 4.350 -0.116 0.000 0.203 221 E C 2.260 178.850 176.600 -0.017 0.000 1.022 221 E CA 1.675 58.065 56.400 -0.016 0.000 0.823 221 E CB -0.156 29.529 29.700 -0.025 0.000 0.744 221 E HN 0.359 nan 8.360 nan 0.000 0.456 222 R N 0.590 121.072 120.500 -0.030 0.000 2.120 222 R HA -0.139 4.131 4.340 -0.116 0.000 0.234 222 R C 2.227 178.519 176.300 -0.013 0.000 1.123 222 R CA 0.995 57.083 56.100 -0.020 0.000 0.975 222 R CB -0.038 30.248 30.300 -0.023 0.000 0.866 222 R HN 0.175 nan 8.270 nan 0.000 0.446 223 L N -0.050 121.162 121.223 -0.019 0.000 2.162 223 L HA -0.040 4.230 4.340 -0.116 0.000 0.205 223 L C 1.995 178.829 176.870 -0.060 0.000 1.086 223 L CA 0.649 55.466 54.840 -0.038 0.000 0.778 223 L CB -0.111 41.925 42.059 -0.037 0.000 0.928 223 L HN 0.224 nan 8.230 nan 0.000 0.446 224 L N -0.731 120.479 121.223 -0.021 0.000 2.509 224 L HA 0.096 4.366 4.340 -0.116 0.000 0.222 224 L C 0.470 177.356 176.870 0.026 0.000 1.123 224 L CA -0.133 54.714 54.840 0.012 0.000 0.856 224 L CB 0.200 42.296 42.059 0.062 0.000 0.985 224 L HN -0.037 nan 8.230 nan 0.000 0.456 225 V N 1.318 121.241 119.914 0.015 0.000 2.432 225 V HA 0.221 4.271 4.120 -0.116 0.000 0.275 225 V C -2.101 174.017 176.094 0.041 0.000 1.043 225 V CA -1.556 60.760 62.300 0.027 0.000 0.925 225 V CB 1.033 32.868 31.823 0.021 0.000 0.985 225 V HN -0.023 nan 8.190 nan 0.000 0.466 226 P HA 0.208 nan 4.420 nan 0.000 0.266 226 P C -0.617 176.823 177.300 0.232 0.000 1.215 226 P CA 0.240 63.426 63.100 0.144 0.000 0.763 226 P CB 0.300 32.075 31.700 0.125 0.000 0.806 227 K N 2.071 122.554 120.400 0.138 0.000 2.435 227 K HA 0.435 4.685 4.320 -0.116 0.000 0.251 227 K C -0.730 175.645 176.600 -0.376 0.000 0.954 227 K CA -0.840 55.427 56.287 -0.033 0.000 0.820 227 K CB 2.140 34.608 32.500 -0.053 0.000 1.292 227 K HN 0.367 nan 8.250 nan 0.000 0.436 228 C N 1.779 120.659 119.300 -0.699 0.000 2.605 228 C HA 0.252 4.643 4.460 -0.116 0.000 0.404 228 C C 0.350 175.101 174.990 -0.399 0.000 1.284 228 C CA -0.379 58.141 59.018 -0.829 0.000 2.199 228 C CB -0.052 27.218 27.740 -0.783 0.000 2.647 228 C HN 0.482 nan 8.230 nan 0.000 0.604 229 V N 8.190 127.915 119.914 -0.315 0.000 2.372 229 V HA 0.226 4.276 4.120 -0.116 0.000 0.261 229 V C 0.348 176.365 176.094 -0.129 0.000 1.055 229 V CA 0.419 62.572 62.300 -0.245 0.000 0.930 229 V CB 0.409 32.059 31.823 -0.288 0.000 1.031 229 V HN 0.837 nan 8.190 nan 0.000 0.479 230 M N 7.287 126.805 119.600 -0.137 0.000 2.088 230 M HA 0.572 4.982 4.480 -0.116 0.000 0.346 230 M C -0.948 175.324 176.300 -0.047 0.000 1.111 230 M CA -0.027 55.223 55.300 -0.083 0.000 1.017 230 M CB 1.046 33.571 32.600 -0.124 0.000 1.568 230 M HN 0.367 nan 8.290 nan 0.000 0.445 231 L N 2.723 123.948 121.223 0.002 0.000 2.386 231 L HA 0.590 4.861 4.340 -0.116 0.000 0.271 231 L C 0.185 177.065 176.870 0.016 0.000 0.993 231 L CA -1.144 53.695 54.840 -0.002 0.000 0.819 231 L CB 1.937 43.976 42.059 -0.034 0.000 1.294 231 L HN 0.586 nan 8.230 nan 0.000 0.414 240 V N 2.289 122.033 119.914 -0.283 0.000 2.655 240 V HA 0.238 4.289 4.120 -0.116 0.000 0.300 240 V C 0.952 176.535 176.094 -0.852 0.000 1.044 240 V CA 0.063 62.029 62.300 -0.557 0.000 1.095 240 V CB 0.215 31.660 31.823 -0.630 0.000 0.952 240 V HN 0.571 nan 8.190 nan 0.000 0.485 241 R N 2.923 122.823 120.500 -0.999 0.000 2.787 241 R HA 0.708 4.978 4.340 -0.116 0.000 0.271 241 R C -1.424 174.086 176.300 -1.317 0.000 0.993 241 R CA -0.534 54.926 56.100 -1.066 0.000 0.993 241 R CB 1.876 31.547 30.300 -1.047 0.000 1.155 241 R HN 0.542 nan 8.270 nan 0.000 0.486 242 F N 0.005 119.707 119.950 -0.413 0.000 2.561 242 F HA 0.231 4.693 4.527 -0.109 0.000 0.321 242 F C 1.195 177.073 175.800 0.130 0.000 1.065 242 F CA -0.710 57.225 58.000 -0.108 0.000 0.934 242 F CB 1.910 40.894 39.000 -0.028 0.000 1.215 242 F HN 0.504 nan 8.300 nan 0.000 0.471 243 Q N -0.669 119.395 119.800 0.440 0.000 2.317 243 Q HA 0.311 4.582 4.340 -0.116 0.000 0.220 243 Q C -0.816 175.403 176.000 0.365 0.000 0.873 243 Q CA 0.107 56.144 55.803 0.391 0.000 0.936 243 Q CB 1.331 30.256 28.738 0.311 0.000 1.105 243 Q HN 0.564 nan 8.270 nan 0.000 0.520 244 D N -0.542 120.036 120.400 0.297 0.000 2.683 244 D HA 0.657 5.227 4.640 -0.116 0.000 0.246 244 D C -1.894 174.351 176.300 -0.093 0.000 1.238 244 D CA -0.259 53.808 54.000 0.112 0.000 0.759 244 D CB 2.364 43.286 40.800 0.203 0.000 1.349 244 D HN 0.159 nan 8.370 nan 0.000 0.426 245 A N 0.922 123.425 122.820 -0.528 0.000 2.574 245 A HA 0.787 5.037 4.320 -0.116 0.000 0.297 245 A C -1.833 175.257 177.584 -0.824 0.000 1.062 245 A CA -0.574 51.194 52.037 -0.449 0.000 0.686 245 A CB 0.994 19.836 19.000 -0.264 0.000 1.285 245 A HN 0.281 nan 8.150 nan 0.000 0.403 246 F N -0.553 119.401 119.950 0.006 0.000 2.626 246 F HA 0.674 5.109 4.527 -0.153 0.000 0.311 246 F C -0.135 175.656 175.800 -0.015 0.000 1.088 246 F CA -0.799 57.221 58.000 0.035 0.000 0.949 246 F CB 2.056 41.141 39.000 0.142 0.000 1.322 246 F HN 0.622 nan 8.300 nan 0.000 0.461 247 C N 1.037 120.408 119.300 0.118 0.000 2.498 247 C HA 0.852 5.243 4.460 -0.116 0.000 0.316 247 C C 0.638 175.515 174.990 -0.188 0.000 1.209 247 C CA -0.756 58.220 59.018 -0.070 0.000 1.518 247 C CB 0.949 28.557 27.740 -0.221 0.000 2.147 247 C HN 1.054 nan 8.230 nan 0.000 0.483 248 G N 0.902 109.380 108.800 -0.537 0.000 2.642 248 G HA2 0.538 4.429 3.960 -0.116 0.000 0.291 248 G HA3 0.538 4.429 3.960 -0.116 0.000 0.291 248 G C 0.918 175.294 174.900 -0.874 0.000 1.345 248 G CA 0.262 44.761 45.100 -1.000 0.000 1.043 248 G HN 0.996 nan 8.290 nan 0.000 0.528 249 A N -1.236 121.094 122.820 -0.817 0.000 1.908 249 A HA 0.012 4.263 4.320 -0.116 0.000 0.218 249 A C 1.160 178.268 177.584 -0.792 0.000 1.181 249 A CA 1.599 53.185 52.037 -0.751 0.000 0.627 249 A CB -0.440 18.052 19.000 -0.847 0.000 0.818 249 A HN 0.632 nan 8.150 nan 0.000 0.445 250 Y N -1.822 118.382 120.300 -0.161 0.000 2.742 250 Y HA 0.437 4.938 4.550 -0.082 0.000 0.248 250 Y C -0.391 175.531 175.900 0.037 0.000 1.132 250 Y CA -1.459 56.646 58.100 0.007 0.000 1.142 250 Y CB 0.017 38.556 38.460 0.133 0.000 1.222 250 Y HN 0.333 nan 8.280 nan 0.000 0.575 251 F N -2.928 117.001 119.950 -0.036 0.000 2.711 251 F HA 0.899 5.382 4.527 -0.074 0.000 0.313 251 F C -0.645 174.984 175.800 -0.286 0.000 1.141 251 F CA -1.420 56.436 58.000 -0.240 0.000 0.941 251 F CB 1.519 40.355 39.000 -0.274 0.000 1.349 251 F HN -0.323 nan 8.300 nan 0.000 0.464 252 T N 1.175 115.441 114.554 -0.479 0.000 2.912 252 T HA 0.628 4.909 4.350 -0.116 0.000 0.299 252 T C -1.583 172.575 174.700 -0.903 0.000 1.052 252 T CA -0.529 61.201 62.100 -0.616 0.000 0.996 252 T CB 1.510 69.900 68.868 -0.796 0.000 1.070 252 T HN 0.482 nan 8.240 nan 0.000 0.465 253 F N 1.359 121.077 119.950 -0.386 0.000 2.508 253 F HA 0.774 5.221 4.527 -0.134 0.000 0.325 253 F C 0.292 175.936 175.800 -0.259 0.000 1.090 253 F CA -0.768 56.967 58.000 -0.441 0.000 0.945 253 F CB 1.855 40.425 39.000 -0.717 0.000 1.156 253 F HN 0.709 nan 8.300 nan 0.000 0.463 254 A N 3.680 126.505 122.820 0.008 0.000 2.455 254 A HA 0.795 5.046 4.320 -0.116 0.000 0.300 254 A C -1.252 176.538 177.584 0.343 0.000 1.040 254 A CA -0.560 51.521 52.037 0.074 0.000 0.697 254 A CB 1.007 19.832 19.000 -0.291 0.000 1.265 254 A HN 0.705 nan 8.150 nan 0.000 0.407 255 I N 2.888 123.717 120.570 0.431 0.000 2.312 255 I HA 0.284 4.384 4.170 -0.116 0.000 0.290 255 I C 0.995 177.423 176.117 0.520 0.000 1.008 255 I CA -0.359 61.229 61.300 0.481 0.000 1.226 255 I CB 1.789 40.064 38.000 0.460 0.000 1.371 255 I HN 0.789 nan 8.210 nan 0.000 0.468 256 S N 3.849 119.813 115.700 0.440 0.000 2.608 256 S HA 0.142 4.542 4.470 -0.116 0.000 0.261 256 S C 1.137 175.810 174.600 0.122 0.000 1.314 256 S CA -0.189 58.053 58.200 0.071 0.000 0.992 256 S CB 0.516 63.687 63.200 -0.048 0.000 0.935 256 S HN 0.654 nan 8.310 nan 0.000 0.564 257 H N 0.521 119.524 119.070 -0.111 0.000 2.422 257 H HA -0.096 4.390 4.556 -0.117 0.000 0.298 257 H C 1.557 176.843 175.328 -0.070 0.000 1.098 257 H CA 1.702 57.709 56.048 -0.069 0.000 1.315 257 H CB 0.074 29.769 29.762 -0.112 0.000 1.382 257 H HN 0.709 nan 8.280 nan 0.000 0.523 258 E N -0.658 119.527 120.200 -0.025 0.000 2.427 258 E HA 0.022 4.302 4.350 -0.116 0.000 0.196 258 E C 1.562 178.096 176.600 -0.111 0.000 1.028 258 E CA 0.620 56.920 56.400 -0.166 0.000 0.864 258 E CB 0.404 29.821 29.700 -0.471 0.000 0.813 258 E HN 0.606 nan 8.360 nan 0.000 0.514 259 G N 0.273 109.099 108.800 0.044 0.000 2.176 259 G HA2 -0.271 3.620 3.960 -0.116 0.000 0.232 259 G HA3 -0.271 3.620 3.960 -0.116 0.000 0.232 259 G C -0.214 174.900 174.900 0.357 0.000 0.986 259 G CA -0.114 45.105 45.100 0.198 0.000 0.643 259 G HN 0.474 nan 8.290 nan 0.000 0.522 260 H N -0.300 118.928 119.070 0.262 0.000 2.652 260 H HA 0.433 4.919 4.556 -0.117 0.000 0.349 260 H C 0.050 175.556 175.328 0.297 0.000 1.099 260 H CA -0.481 55.716 56.048 0.248 0.000 1.417 260 H CB 1.677 31.573 29.762 0.223 0.000 1.457 260 H HN 0.076 nan 8.280 nan 0.000 0.568 261 V N 4.548 124.632 119.914 0.282 0.000 2.364 261 V HA 0.080 4.131 4.120 -0.116 0.000 0.272 261 V C -0.620 175.478 176.094 0.007 0.000 1.036 261 V CA -0.330 62.050 62.300 0.133 0.000 0.880 261 V CB -0.230 31.541 31.823 -0.086 0.000 0.991 261 V HN 0.565 nan 8.190 nan 0.000 0.460 262 Y N 2.518 122.891 120.300 0.121 0.000 2.446 262 Y HA 0.803 5.282 4.550 -0.119 0.000 0.338 262 Y C 0.706 176.589 175.900 -0.027 0.000 1.055 262 Y CA -0.372 57.813 58.100 0.142 0.000 1.101 262 Y CB 2.373 41.029 38.460 0.326 0.000 1.221 262 Y HN 0.718 nan 8.280 nan 0.000 0.460 263 G N 1.732 110.581 108.800 0.082 0.000 2.660 263 G HA2 0.719 4.609 3.960 -0.116 0.000 0.294 263 G HA3 0.719 4.609 3.960 -0.116 0.000 0.294 263 G C -1.963 172.914 174.900 -0.038 0.000 1.369 263 G CA -0.842 44.081 45.100 -0.296 0.000 0.912 263 G HN 0.519 nan 8.290 nan 0.000 0.479 264 F N -1.235 118.573 119.950 -0.236 0.000 2.703 264 F HA 0.876 5.340 4.527 -0.105 0.000 0.308 264 F C 0.414 176.090 175.800 -0.208 0.000 1.126 264 F CA -0.521 57.367 58.000 -0.187 0.000 0.959 264 F CB 1.407 40.324 39.000 -0.138 0.000 1.297 264 F HN 1.685 nan 8.300 nan 0.000 0.441 265 G N 0.699 109.462 108.800 -0.062 0.000 2.306 265 G HA2 0.244 4.134 3.960 -0.116 0.000 0.262 265 G HA3 0.244 4.134 3.960 -0.116 0.000 0.262 265 G C -2.099 172.721 174.900 -0.134 0.000 1.263 265 G CA -0.707 44.319 45.100 -0.124 0.000 1.088 265 G HN 1.153 nan 8.290 nan 0.000 0.489 266 L N 0.773 121.997 121.223 0.001 0.000 2.453 266 L HA 0.669 4.940 4.340 -0.116 0.000 0.272 266 L C 1.224 178.017 176.870 -0.128 0.000 1.182 266 L CA 1.587 56.425 54.840 -0.004 0.000 0.858 266 L CB 1.556 43.731 42.059 0.194 0.000 1.120 266 L HN 1.060 nan 8.230 nan 0.000 0.474 267 S N 2.266 117.885 115.700 -0.134 0.000 3.041 267 S HA 0.127 4.527 4.470 -0.116 0.000 0.250 267 S C 0.880 175.366 174.600 -0.190 0.000 0.898 267 S CA -0.063 58.027 58.200 -0.182 0.000 1.100 267 S CB -0.534 62.557 63.200 -0.181 0.000 1.149 267 S HN 0.890 nan 8.310 nan 0.000 0.540 268 N N 0.748 119.370 118.700 -0.130 0.000 2.453 268 N HA -0.079 4.591 4.740 -0.116 0.000 0.183 268 N C 0.348 175.615 175.510 -0.405 0.000 1.041 268 N CA 1.090 53.995 53.050 -0.241 0.000 0.900 268 N CB -0.417 37.964 38.487 -0.176 0.000 0.961 268 N HN 0.592 nan 8.380 nan 0.000 0.443 269 Y N -0.848 119.344 120.300 -0.180 0.000 2.716 269 Y HA 0.224 4.705 4.550 -0.113 0.000 0.260 269 Y C -0.248 175.696 175.900 0.073 0.000 1.141 269 Y CA -0.621 57.439 58.100 -0.067 0.000 1.168 269 Y CB -0.338 38.089 38.460 -0.055 0.000 1.189 269 Y HN 0.071 nan 8.280 nan 0.000 0.549 270 H N -1.211 117.874 119.070 0.025 0.000 2.936 270 H HA -0.233 4.252 4.556 -0.118 0.000 0.276 270 H C 1.633 176.964 175.328 0.005 0.000 1.216 270 H CA 0.773 56.825 56.048 0.008 0.000 1.132 270 H CB -1.130 28.648 29.762 0.026 0.000 1.303 270 H HN 0.475 nan 8.280 nan 0.000 0.370 271 Q N 0.653 120.445 119.800 -0.013 0.000 2.364 271 Q HA -0.075 4.195 4.340 -0.116 0.000 0.209 271 Q C 1.469 177.409 176.000 -0.101 0.000 0.977 271 Q CA 1.498 57.206 55.803 -0.158 0.000 0.885 271 Q CB 0.078 28.415 28.738 -0.668 0.000 0.941 271 Q HN 0.701 nan 8.270 nan 0.000 0.464 272 L N -0.281 120.885 121.223 -0.095 0.000 2.728 272 L HA 0.329 4.599 4.340 -0.116 0.000 0.238 272 L C 1.033 178.030 176.870 0.212 0.000 1.143 272 L CA 0.154 55.002 54.840 0.013 0.000 0.937 272 L CB 0.397 42.340 42.059 -0.193 0.000 1.225 272 L HN 0.427 nan 8.230 nan 0.000 0.507 273 G N 1.111 110.033 108.800 0.202 0.000 2.754 273 G HA2 -0.280 3.611 3.960 -0.116 0.000 0.241 273 G HA3 -0.280 3.611 3.960 -0.116 0.000 0.241 273 G C 0.287 175.288 174.900 0.167 0.000 1.281 273 G CA 0.040 45.243 45.100 0.172 0.000 0.971 273 G HN 0.202 nan 8.290 nan 0.000 0.569 274 T N -0.868 113.755 114.554 0.114 0.000 3.466 274 T HA 0.648 4.928 4.350 -0.116 0.000 0.297 274 T C -1.443 173.285 174.700 0.046 0.000 1.640 274 T CA -0.165 61.996 62.100 0.102 0.000 1.631 274 T CB 1.578 70.496 68.868 0.084 0.000 0.928 274 T HN 0.354 nan 8.240 nan 0.000 0.688 275 P HA 0.171 nan 4.420 nan 0.000 0.225 275 P C 1.461 178.761 177.300 -0.000 0.000 1.148 275 P CA 1.361 64.464 63.100 0.004 0.000 0.779 275 P CB -0.200 31.486 31.700 -0.023 0.000 0.780 276 G N -1.978 106.816 108.800 -0.010 0.000 2.176 276 G HA2 -0.193 3.698 3.960 -0.116 0.000 0.253 276 G HA3 -0.193 3.698 3.960 -0.116 0.000 0.253 276 G C 0.300 175.186 174.900 -0.024 0.000 0.979 276 G CA 0.255 45.349 45.100 -0.011 0.000 0.641 276 G HN 0.686 nan 8.290 nan 0.000 0.530 277 T N -1.591 112.939 114.554 -0.039 0.000 2.889 277 T HA 0.539 4.820 4.350 -0.116 0.000 0.315 277 T C 0.718 175.373 174.700 -0.075 0.000 1.291 277 T CA 0.365 62.443 62.100 -0.037 0.000 1.028 277 T CB 1.547 70.422 68.868 0.012 0.000 1.235 277 T HN 0.074 nan 8.240 nan 0.000 0.491 278 E N 1.020 121.174 120.200 -0.075 0.000 2.274 278 E HA 0.100 4.381 4.350 -0.116 0.000 0.194 278 E C -0.175 176.371 176.600 -0.089 0.000 0.996 278 E CA 0.425 56.762 56.400 -0.104 0.000 0.840 278 E CB 0.283 29.927 29.700 -0.094 0.000 0.772 278 E HN 0.383 nan 8.360 nan 0.000 0.491 279 S N -0.075 115.589 115.700 -0.059 0.000 2.779 279 S HA 0.198 4.599 4.470 -0.116 0.000 0.293 279 S C -1.078 173.416 174.600 -0.176 0.000 1.150 279 S CA -0.751 57.349 58.200 -0.167 0.000 1.057 279 S CB 1.488 64.635 63.200 -0.090 0.000 1.021 279 S HN 0.182 nan 8.310 nan 0.000 0.485 280 C N 5.316 124.474 119.300 -0.236 0.000 2.168 280 C HA 0.463 4.853 4.460 -0.116 0.000 0.333 280 C C 1.077 175.966 174.990 -0.168 0.000 1.106 280 C CA -0.664 58.291 59.018 -0.105 0.000 1.574 280 C CB -2.467 25.241 27.740 -0.053 0.000 2.055 280 C HN 0.931 nan 8.230 nan 0.000 0.473 281 F N 3.518 123.468 119.950 -0.001 0.000 2.293 281 F HA 0.272 4.733 4.527 -0.110 0.000 0.297 281 F C 1.265 177.028 175.800 -0.062 0.000 1.089 281 F CA 0.573 58.557 58.000 -0.027 0.000 1.377 281 F CB -0.134 38.833 39.000 -0.055 0.000 1.051 281 F HN 0.383 nan 8.300 nan 0.000 0.511 282 I N 1.774 122.422 120.570 0.129 0.000 2.325 282 I HA 0.209 4.309 4.170 -0.116 0.000 0.291 282 I C -2.206 173.942 176.117 0.052 0.000 1.019 282 I CA -2.130 59.195 61.300 0.042 0.000 1.302 282 I CB 0.723 38.753 38.000 0.049 0.000 1.401 282 I HN -0.303 nan 8.210 nan 0.000 0.485 283 P HA -0.037 nan 4.420 nan 0.000 0.264 283 P C -0.986 176.474 177.300 0.268 0.000 1.183 283 P CA 0.153 63.350 63.100 0.162 0.000 0.763 283 P CB 0.395 32.101 31.700 0.011 0.000 0.807 284 Q N 2.686 122.670 119.800 0.306 0.000 2.347 284 Q HA 0.273 4.544 4.340 -0.116 0.000 0.271 284 Q C -0.811 175.188 176.000 -0.003 0.000 1.064 284 Q CA -0.885 55.019 55.803 0.168 0.000 0.800 284 Q CB 1.167 29.957 28.738 0.086 0.000 1.304 284 Q HN 0.213 nan 8.270 nan 0.000 0.438 285 N N 4.737 123.297 118.700 -0.234 0.000 2.400 285 N HA 0.105 4.775 4.740 -0.116 0.000 0.267 285 N C -0.757 174.623 175.510 -0.216 0.000 1.208 285 N CA 0.140 52.831 53.050 -0.598 0.000 0.951 285 N CB 0.080 38.252 38.487 -0.524 0.000 1.227 285 N HN 0.601 nan 8.380 nan 0.000 0.488 286 L N 3.198 124.351 121.223 -0.117 0.000 2.597 286 L HA -0.010 4.261 4.340 -0.116 0.000 0.271 286 L C 1.933 178.860 176.870 0.095 0.000 1.157 286 L CA -0.204 54.676 54.840 0.066 0.000 0.928 286 L CB -0.194 42.002 42.059 0.228 0.000 1.216 286 L HN 0.568 nan 8.230 nan 0.000 0.481 287 T N -2.209 112.373 114.554 0.047 0.000 2.833 287 T HA -0.161 4.120 4.350 -0.116 0.000 0.269 287 T C 1.768 176.479 174.700 0.018 0.000 1.054 287 T CA 1.270 63.382 62.100 0.020 0.000 1.135 287 T CB -0.097 68.771 68.868 0.000 0.000 0.869 287 T HN 0.550 nan 8.240 nan 0.000 0.466 288 S N 0.982 116.686 115.700 0.007 0.000 2.465 288 S HA 0.087 4.488 4.470 -0.116 0.000 0.241 288 S C 0.458 174.800 174.600 -0.431 0.000 1.000 288 S CA 0.667 58.748 58.200 -0.199 0.000 0.964 288 S CB -0.456 62.585 63.200 -0.266 0.000 0.763 288 S HN 0.628 nan 8.310 nan 0.000 0.512 289 F N 0.749 120.682 119.950 -0.028 0.000 2.855 289 F HA 0.394 4.854 4.527 -0.112 0.000 0.317 289 F C 0.251 176.146 175.800 0.158 0.000 1.169 289 F CA -0.773 57.223 58.000 -0.006 0.000 1.299 289 F CB 0.326 39.193 39.000 -0.222 0.000 0.962 289 F HN -0.209 nan 8.300 nan 0.000 0.506 290 K N 2.187 122.706 120.400 0.198 0.000 2.250 290 K HA 0.166 4.417 4.320 -0.116 0.000 0.285 290 K C 0.454 177.157 176.600 0.172 0.000 1.097 290 K CA -0.091 56.285 56.287 0.148 0.000 0.913 290 K CB -0.187 32.338 32.500 0.042 0.000 1.179 290 K HN 0.322 nan 8.250 nan 0.000 0.462 291 N N 1.860 120.698 118.700 0.230 0.000 2.179 291 N HA 0.167 4.837 4.740 -0.116 0.000 0.247 291 N C 0.054 175.607 175.510 0.073 0.000 1.293 291 N CA 0.438 53.573 53.050 0.142 0.000 0.943 291 N CB -0.159 38.395 38.487 0.112 0.000 1.064 291 N HN 0.411 nan 8.380 nan 0.000 0.416 292 S N -4.124 111.607 115.700 0.051 0.000 7.051 292 S HA -0.084 4.317 4.470 -0.116 0.000 0.051 292 S C 0.845 175.455 174.600 0.016 0.000 1.424 292 S CA 0.373 58.596 58.200 0.038 0.000 1.107 292 S CB -1.633 61.582 63.200 0.024 0.000 1.182 292 S HN 0.829 nan 8.310 nan 0.000 0.525 293 T N -0.364 114.182 114.554 -0.013 0.000 3.003 293 T HA 0.419 4.700 4.350 -0.116 0.000 0.261 293 T C 0.198 174.853 174.700 -0.074 0.000 1.003 293 T CA -0.102 61.980 62.100 -0.031 0.000 0.917 293 T CB 0.256 69.105 68.868 -0.031 0.000 1.084 293 T HN 0.064 nan 8.240 nan 0.000 0.522 294 K N 1.921 122.255 120.400 -0.110 0.000 2.143 294 K HA 0.614 4.864 4.320 -0.116 0.000 0.272 294 K C -0.867 175.591 176.600 -0.237 0.000 1.001 294 K CA -0.295 55.839 56.287 -0.255 0.000 0.915 294 K CB 1.631 33.886 32.500 -0.410 0.000 1.047 294 K HN 0.055 nan 8.250 nan 0.000 0.458 295 S N 2.379 117.896 115.700 -0.304 0.000 2.707 295 S HA 0.264 4.664 4.470 -0.116 0.000 0.312 295 S C -1.149 173.323 174.600 -0.214 0.000 1.116 295 S CA -0.800 57.314 58.200 -0.142 0.000 1.078 295 S CB 0.401 63.579 63.200 -0.036 0.000 0.997 295 S HN 0.390 nan 8.310 nan 0.000 0.477 296 W N 2.729 124.089 121.300 0.100 0.000 2.266 296 W HA 0.356 4.946 4.660 -0.117 0.000 0.317 296 W C 1.324 177.904 176.519 0.102 0.000 1.310 296 W CA -0.493 56.887 57.345 0.059 0.000 1.207 296 W CB 0.761 30.329 29.460 0.180 0.000 1.199 296 W HN 0.520 nan 8.180 nan 0.000 0.544 297 V N 0.991 121.036 119.914 0.218 0.000 3.562 297 V HA 0.621 4.671 4.120 -0.116 0.000 0.270 297 V C 0.426 176.602 176.094 0.137 0.000 1.418 297 V CA 0.338 62.760 62.300 0.203 0.000 1.033 297 V CB 0.137 32.035 31.823 0.124 0.000 0.820 297 V HN 0.556 nan 8.190 nan 0.000 0.441 298 G N -0.280 108.425 108.800 -0.158 0.000 2.746 298 G HA2 0.671 4.562 3.960 -0.116 0.000 0.297 298 G HA3 0.671 4.562 3.960 -0.116 0.000 0.297 298 G C -1.965 172.388 174.900 -0.913 0.000 1.426 298 G CA -0.539 44.266 45.100 -0.492 0.000 0.989 298 G HN 0.067 nan 8.290 nan 0.000 0.520 299 F N 0.809 120.025 119.950 -1.223 0.000 2.578 299 F HA 0.779 5.226 4.527 -0.133 0.000 0.311 299 F C 0.427 175.997 175.800 -0.383 0.000 1.094 299 F CA -0.598 56.914 58.000 -0.813 0.000 0.923 299 F CB 2.981 41.358 39.000 -1.039 0.000 1.230 299 F HN 0.690 nan 8.300 nan 0.000 0.450 300 S N 0.657 116.349 115.700 -0.012 0.000 2.607 300 S HA 0.994 5.394 4.470 -0.116 0.000 0.273 300 S C -0.890 173.765 174.600 0.091 0.000 1.148 300 S CA -0.725 57.508 58.200 0.056 0.000 0.833 300 S CB 2.077 65.291 63.200 0.023 0.000 1.130 300 S HN 1.217 nan 8.310 nan 0.000 0.470 301 G N -0.700 108.106 108.800 0.010 0.000 2.732 301 G HA2 0.671 4.562 3.960 -0.116 0.000 0.296 301 G HA3 0.671 4.562 3.960 -0.116 0.000 0.296 301 G C -0.212 174.586 174.900 -0.169 0.000 1.448 301 G CA -0.161 44.943 45.100 0.007 0.000 0.911 301 G HN 1.054 nan 8.290 nan 0.000 0.528 302 G N -0.844 107.800 108.800 -0.260 0.000 2.849 302 G HA2 0.431 4.322 3.960 -0.116 0.000 0.174 302 G HA3 0.431 4.322 3.960 -0.116 0.000 0.174 302 G C 0.794 175.734 174.900 0.067 0.000 1.370 302 G CA 0.004 45.049 45.100 -0.091 0.000 1.040 302 G HN 0.602 nan 8.290 nan 0.000 0.582 303 Q N -1.171 118.682 119.800 0.088 0.000 2.083 303 Q HA 0.006 4.276 4.340 -0.116 0.000 0.198 303 Q C 1.347 177.511 176.000 0.274 0.000 0.969 303 Q CA 1.301 57.151 55.803 0.077 0.000 0.838 303 Q CB 0.079 28.690 28.738 -0.212 0.000 0.900 303 Q HN 0.733 nan 8.270 nan 0.000 0.436 304 H N -0.971 118.287 119.070 0.313 0.000 2.916 304 H HA 0.145 4.635 4.556 -0.110 0.000 0.262 304 H C -0.374 175.093 175.328 0.232 0.000 1.178 304 H CA -0.499 55.653 56.048 0.173 0.000 1.090 304 H CB 0.589 30.224 29.762 -0.213 0.000 1.657 304 H HN 0.238 nan 8.280 nan 0.000 0.601 305 H N -1.272 117.952 119.070 0.257 0.000 2.985 305 H HA 0.542 5.035 4.556 -0.104 0.000 0.360 305 H C -1.331 174.189 175.328 0.321 0.000 1.221 305 H CA -0.978 55.204 56.048 0.223 0.000 1.121 305 H CB 1.787 31.648 29.762 0.164 0.000 1.854 305 H HN -0.107 nan 8.280 nan 0.000 0.551 306 T N 1.642 116.331 114.554 0.224 0.000 2.886 306 T HA 0.472 4.753 4.350 -0.116 0.000 0.292 306 T C -0.730 174.090 174.700 0.200 0.000 1.012 306 T CA -0.586 61.648 62.100 0.224 0.000 0.982 306 T CB 1.690 70.773 68.868 0.359 0.000 1.018 306 T HN 0.452 nan 8.240 nan 0.000 0.451 307 V N 2.767 122.762 119.914 0.136 0.000 2.531 307 V HA 0.688 4.739 4.120 -0.116 0.000 0.301 307 V C 0.065 176.152 176.094 -0.011 0.000 1.034 307 V CA -0.812 61.585 62.300 0.163 0.000 0.865 307 V CB 1.233 33.224 31.823 0.280 0.000 0.995 307 V HN 1.239 nan 8.190 nan 0.000 0.424 308 C N 3.904 123.172 119.300 -0.054 0.000 3.213 308 C HA 0.994 5.385 4.460 -0.116 0.000 0.319 308 C C -0.491 174.514 174.990 0.025 0.000 1.386 308 C CA -1.018 57.801 59.018 -0.332 0.000 1.494 308 C CB 1.581 28.719 27.740 -1.003 0.000 1.905 308 C HN 1.032 nan 8.230 nan 0.000 0.456 309 M N 1.058 120.649 119.600 -0.015 0.000 2.531 309 M HA 0.760 5.170 4.480 -0.116 0.000 0.286 309 M C -1.648 174.728 176.300 0.127 0.000 1.232 309 M CA -0.237 55.164 55.300 0.168 0.000 0.877 309 M CB 2.160 34.798 32.600 0.063 0.000 1.726 309 M HN 0.847 nan 8.290 nan 0.000 0.463 310 D N 0.646 121.060 120.400 0.022 0.000 2.569 310 D HA 0.431 5.001 4.640 -0.116 0.000 0.266 310 D C 0.737 176.981 176.300 -0.093 0.000 1.164 310 D CA -0.275 53.600 54.000 -0.209 0.000 1.071 310 D CB 0.827 41.319 40.800 -0.513 0.000 1.183 310 D HN 0.756 nan 8.370 nan 0.000 0.613 311 S N -1.504 114.125 115.700 -0.118 0.000 2.547 311 S HA -0.126 4.274 4.470 -0.116 0.000 0.235 311 S C 0.837 175.410 174.600 -0.046 0.000 0.980 311 S CA 0.527 58.695 58.200 -0.054 0.000 0.941 311 S CB -0.623 62.547 63.200 -0.050 0.000 0.763 311 S HN 0.575 nan 8.310 nan 0.000 0.532 312 E N 0.593 120.756 120.200 -0.061 0.000 2.463 312 E HA 0.307 4.587 4.350 -0.116 0.000 0.193 312 E C 1.002 177.583 176.600 -0.032 0.000 1.041 312 E CA 0.092 56.465 56.400 -0.044 0.000 0.879 312 E CB 0.127 29.796 29.700 -0.053 0.000 0.997 312 E HN 0.662 nan 8.360 nan 0.000 0.478 313 G N 2.315 111.102 108.800 -0.022 0.000 2.136 313 G HA2 -0.299 3.591 3.960 -0.116 0.000 0.242 313 G HA3 -0.299 3.591 3.960 -0.116 0.000 0.242 313 G C 0.012 174.891 174.900 -0.034 0.000 0.989 313 G CA 0.095 45.185 45.100 -0.017 0.000 0.682 313 G HN 0.136 nan 8.290 nan 0.000 0.522 314 K N 0.305 120.689 120.400 -0.026 0.000 2.130 314 K HA 0.714 4.965 4.320 -0.116 0.000 0.268 314 K C 0.352 176.916 176.600 -0.060 0.000 0.983 314 K CA 0.105 56.330 56.287 -0.105 0.000 0.893 314 K CB 1.754 34.175 32.500 -0.132 0.000 1.066 314 K HN 0.457 nan 8.250 nan 0.000 0.450 315 A N 2.803 125.492 122.820 -0.217 0.000 2.325 315 A HA 0.667 4.917 4.320 -0.116 0.000 0.333 315 A C -1.419 175.998 177.584 -0.278 0.000 1.155 315 A CA -0.500 51.494 52.037 -0.071 0.000 0.814 315 A CB 0.397 19.381 19.000 -0.027 0.000 1.206 315 A HN 0.621 nan 8.150 nan 0.000 0.482 316 Y N 0.007 120.346 120.300 0.065 0.000 2.581 316 Y HA 0.645 5.123 4.550 -0.120 0.000 0.345 316 Y C 0.478 176.415 175.900 0.061 0.000 1.036 316 Y CA -0.560 57.580 58.100 0.066 0.000 1.042 316 Y CB 2.387 40.947 38.460 0.167 0.000 1.289 316 Y HN 0.855 nan 8.280 nan 0.000 0.471 317 S N 2.523 118.348 115.700 0.207 0.000 2.595 317 S HA 0.973 5.374 4.470 -0.116 0.000 0.281 317 S C -1.348 173.347 174.600 0.160 0.000 1.117 317 S CA -0.784 57.531 58.200 0.192 0.000 0.873 317 S CB 2.024 65.332 63.200 0.181 0.000 1.108 317 S HN 0.927 nan 8.310 nan 0.000 0.477 318 L N -1.688 119.646 121.223 0.185 0.000 2.671 318 L HA 0.978 5.248 4.340 -0.116 0.000 0.259 318 L C 0.090 177.081 176.870 0.201 0.000 1.021 318 L CA -0.364 54.567 54.840 0.153 0.000 0.871 318 L CB 1.172 43.304 42.059 0.122 0.000 1.472 318 L HN 1.570 nan 8.230 nan 0.000 0.410 319 G N 0.609 109.519 108.800 0.182 0.000 2.384 319 G HA2 -0.100 3.790 3.960 -0.116 0.000 0.204 319 G HA3 -0.100 3.790 3.960 -0.116 0.000 0.204 319 G C -1.049 173.977 174.900 0.211 0.000 1.237 319 G CA -0.229 45.011 45.100 0.232 0.000 1.060 319 G HN 1.002 nan 8.290 nan 0.000 0.514 320 R N 0.683 121.302 120.500 0.198 0.000 2.570 320 R HA 0.481 4.752 4.340 -0.116 0.000 0.277 320 R C 1.410 177.715 176.300 0.009 0.000 1.039 320 R CA 0.970 57.116 56.100 0.077 0.000 1.065 320 R CB 0.563 30.705 30.300 -0.263 0.000 0.964 320 R HN 1.220 nan 8.270 nan 0.000 0.428 321 A N 3.524 126.346 122.820 0.003 0.000 2.169 321 A HA 0.035 4.286 4.320 -0.116 0.000 0.210 321 A C 0.405 177.882 177.584 -0.178 0.000 1.168 321 A CA -0.102 51.920 52.037 -0.025 0.000 0.813 321 A CB 0.027 19.090 19.000 0.106 0.000 0.861 321 A HN 0.770 nan 8.150 nan 0.000 0.481 322 E N -0.404 119.655 120.200 -0.235 0.000 2.534 322 E HA 0.020 4.300 4.350 -0.116 0.000 0.264 322 E C -0.305 175.886 176.600 -0.682 0.000 0.981 322 E CA 0.758 56.875 56.400 -0.472 0.000 0.948 322 E CB -0.435 28.835 29.700 -0.717 0.000 0.934 322 E HN 0.455 nan 8.360 nan 0.000 0.459 323 Y N 0.992 121.043 120.300 -0.416 0.000 4.798 323 Y HA -0.338 4.140 4.550 -0.120 0.000 0.237 323 Y C 1.242 176.424 175.900 -1.197 0.000 1.017 323 Y CA 0.222 57.981 58.100 -0.569 0.000 2.010 323 Y CB -1.762 36.527 38.460 -0.286 0.000 1.582 323 Y HN 0.825 nan 8.280 nan 0.000 0.621 324 G N 0.591 108.270 108.800 -1.868 0.000 2.147 324 G HA2 -0.406 3.484 3.960 -0.116 0.000 0.244 324 G HA3 -0.406 3.484 3.960 -0.116 0.000 0.244 324 G C 0.912 175.537 174.900 -0.457 0.000 1.005 324 G CA 0.566 44.787 45.100 -1.466 0.000 0.713 324 G HN 0.735 nan 8.290 nan 0.000 0.515 325 R N -0.266 120.013 120.500 -0.368 0.000 2.293 325 R HA 0.163 4.433 4.340 -0.116 0.000 0.219 325 R C 1.974 178.335 176.300 0.102 0.000 1.091 325 R CA 1.374 57.349 56.100 -0.209 0.000 1.004 325 R CB -0.305 29.635 30.300 -0.600 0.000 0.865 325 R HN 0.478 nan 8.270 nan 0.000 0.469 326 L N 0.348 121.588 121.223 0.027 0.000 2.446 326 L HA 0.221 4.491 4.340 -0.116 0.000 0.219 326 L C 1.224 177.979 176.870 -0.193 0.000 1.116 326 L CA 0.593 55.473 54.840 0.066 0.000 0.844 326 L CB -0.191 41.889 42.059 0.035 0.000 0.970 326 L HN 0.564 nan 8.230 nan 0.000 0.457 327 G N 0.874 109.461 108.800 -0.355 0.000 2.179 327 G HA2 -0.291 3.599 3.960 -0.116 0.000 0.257 327 G HA3 -0.291 3.599 3.960 -0.116 0.000 0.257 327 G C 0.619 175.258 174.900 -0.436 0.000 1.010 327 G CA 0.330 44.955 45.100 -0.792 0.000 0.736 327 G HN 0.371 nan 8.290 nan 0.000 0.513 328 L N 0.009 121.126 121.223 -0.177 0.000 2.653 328 L HA 0.494 4.764 4.340 -0.116 0.000 0.231 328 L C 1.522 178.385 176.870 -0.011 0.000 1.153 328 L CA 0.347 55.127 54.840 -0.099 0.000 0.933 328 L CB -0.368 41.665 42.059 -0.043 0.000 1.175 328 L HN 1.033 nan 8.230 nan 0.000 0.473 329 G N 0.432 109.267 108.800 0.059 0.000 2.663 329 G HA2 -0.161 3.730 3.960 -0.116 0.000 0.686 329 G HA3 -0.161 3.730 3.960 -0.116 0.000 0.686 329 G C -0.606 174.414 174.900 0.200 0.000 1.288 329 G CA -0.901 44.263 45.100 0.107 0.000 0.836 329 G HN 0.165 nan 8.290 nan 0.000 0.584 330 E N -0.029 120.202 120.200 0.050 0.000 2.404 330 E HA 0.406 4.687 4.350 -0.116 0.000 0.261 330 E C 1.387 177.846 176.600 -0.234 0.000 1.074 330 E CA 0.933 57.179 56.400 -0.258 0.000 0.917 330 E CB 0.714 30.185 29.700 -0.382 0.000 0.965 330 E HN 2.209 nan 8.360 nan 0.000 0.433 331 G N 1.403 109.950 108.800 -0.422 0.000 2.179 331 G HA2 -0.340 3.551 3.960 -0.116 0.000 0.260 331 G HA3 -0.340 3.551 3.960 -0.116 0.000 0.260 331 G C 0.439 175.316 174.900 -0.039 0.000 0.977 331 G CA 0.054 45.024 45.100 -0.216 0.000 0.641 331 G HN 0.813 nan 8.290 nan 0.000 0.533 332 A N -0.108 122.770 122.820 0.096 0.000 2.520 332 A HA 0.533 4.784 4.320 -0.116 0.000 0.235 332 A C 0.502 178.185 177.584 0.164 0.000 1.065 332 A CA 1.123 53.255 52.037 0.159 0.000 0.764 332 A CB 0.216 19.361 19.000 0.242 0.000 1.002 332 A HN 0.613 nan 8.150 nan 0.000 0.502 333 E N 0.104 120.361 120.200 0.095 0.000 2.339 333 E HA 0.316 4.596 4.350 -0.116 0.000 0.262 333 E C -0.706 175.932 176.600 0.063 0.000 0.934 333 E CA -0.906 55.540 56.400 0.077 0.000 0.802 333 E CB 1.372 31.095 29.700 0.037 0.000 1.275 333 E HN 0.807 nan 8.360 nan 0.000 0.427 334 E N 1.599 121.837 120.200 0.063 0.000 2.529 334 E HA -0.087 4.193 4.350 -0.116 0.000 0.259 334 E C -0.816 175.779 176.600 -0.009 0.000 0.966 334 E CA 0.455 56.892 56.400 0.062 0.000 0.937 334 E CB 0.437 30.196 29.700 0.098 0.000 0.923 334 E HN 0.087 nan 8.360 nan 0.000 0.468 335 K N 2.122 122.522 120.400 0.000 0.000 2.270 335 K HA 0.181 4.432 4.320 -0.116 0.000 0.255 335 K C 0.055 176.603 176.600 -0.087 0.000 0.936 335 K CA -0.448 55.811 56.287 -0.047 0.000 0.809 335 K CB 1.942 34.446 32.500 0.005 0.000 1.131 335 K HN 0.541 nan 8.250 nan 0.000 0.427 336 S N 0.435 116.033 115.700 -0.169 0.000 2.539 336 S HA 0.228 4.629 4.470 -0.116 0.000 0.221 336 S C 0.767 175.321 174.600 -0.077 0.000 0.987 336 S CA -0.460 57.651 58.200 -0.149 0.000 0.929 336 S CB -0.566 62.450 63.200 -0.307 0.000 0.832 336 S HN 0.596 nan 8.310 nan 0.000 0.492 337 I N -1.796 118.713 120.570 -0.102 0.000 2.769 337 I HA 0.619 4.720 4.170 -0.116 0.000 0.298 337 I C -3.094 172.927 176.117 -0.161 0.000 1.128 337 I CA -3.104 58.088 61.300 -0.180 0.000 1.031 337 I CB 2.076 39.988 38.000 -0.147 0.000 1.235 337 I HN -0.294 nan 8.210 nan 0.000 0.423 338 P HA 0.056 nan 4.420 nan 0.000 0.262 338 P C -0.537 176.829 177.300 0.109 0.000 1.199 338 P CA 0.402 63.427 63.100 -0.125 0.000 0.763 338 P CB 0.465 31.934 31.700 -0.385 0.000 0.790 339 T N 4.608 119.273 114.554 0.185 0.000 2.779 339 T HA 0.256 4.536 4.350 -0.116 0.000 0.280 339 T C 0.226 175.021 174.700 0.158 0.000 0.987 339 T CA -0.594 61.607 62.100 0.169 0.000 0.966 339 T CB 0.778 69.680 68.868 0.056 0.000 0.933 339 T HN 0.238 nan 8.240 nan 0.000 0.442 340 L N 4.555 125.821 121.223 0.071 0.000 2.540 340 L HA 0.253 4.523 4.340 -0.116 0.000 0.276 340 L C -0.317 176.377 176.870 -0.292 0.000 1.212 340 L CA 0.468 55.099 54.840 -0.349 0.000 0.893 340 L CB -0.108 41.770 42.059 -0.303 0.000 1.138 340 L HN 0.606 nan 8.230 nan 0.000 0.491 341 I N 5.496 125.832 120.570 -0.389 0.000 2.256 341 I HA 0.080 4.180 4.170 -0.116 0.000 0.294 341 I C 1.297 177.214 176.117 -0.333 0.000 1.127 341 I CA 0.040 61.126 61.300 -0.356 0.000 1.247 341 I CB 0.471 38.206 38.000 -0.441 0.000 1.460 341 I HN 0.900 nan 8.210 nan 0.000 0.511 342 S N 5.095 120.640 115.700 -0.258 0.000 2.428 342 S HA -0.076 4.324 4.470 -0.116 0.000 0.230 342 S C 1.548 176.029 174.600 -0.200 0.000 1.014 342 S CA 0.466 58.540 58.200 -0.211 0.000 0.957 342 S CB -0.140 62.969 63.200 -0.151 0.000 0.784 342 S HN 0.611 nan 8.310 nan 0.000 0.499 343 R N 1.051 121.425 120.500 -0.209 0.000 2.535 343 R HA 0.362 4.632 4.340 -0.116 0.000 0.233 343 R C -0.628 175.506 176.300 -0.277 0.000 1.202 343 R CA 0.100 56.090 56.100 -0.183 0.000 1.205 343 R CB -0.536 29.687 30.300 -0.128 0.000 1.153 343 R HN 0.418 nan 8.270 nan 0.000 0.512 344 L N 0.597 121.624 121.223 -0.326 0.000 2.386 344 L HA 0.476 4.746 4.340 -0.116 0.000 0.271 344 L C -2.151 174.520 176.870 -0.331 0.000 0.993 344 L CA -2.308 52.259 54.840 -0.455 0.000 0.819 344 L CB 2.162 43.973 42.059 -0.414 0.000 1.294 344 L HN -0.094 nan 8.230 nan 0.000 0.414 345 P HA 0.229 nan 4.420 nan 0.000 0.286 345 P C -0.797 176.422 177.300 -0.136 0.000 1.293 345 P CA -0.555 62.441 63.100 -0.173 0.000 0.770 345 P CB 0.448 32.085 31.700 -0.105 0.000 1.206 346 A N 0.122 122.898 122.820 -0.074 0.000 2.546 346 A HA 0.246 4.497 4.320 -0.116 0.000 0.243 346 A C -0.019 177.547 177.584 -0.030 0.000 1.063 346 A CA 0.186 52.193 52.037 -0.050 0.000 0.757 346 A CB -0.631 18.354 19.000 -0.025 0.000 0.991 346 A HN 0.296 nan 8.150 nan 0.000 0.503 347 V N 2.888 122.788 119.914 -0.023 0.000 2.547 347 V HA 0.377 4.428 4.120 -0.116 0.000 0.299 347 V C 1.247 177.361 176.094 0.033 0.000 1.040 347 V CA 0.474 62.783 62.300 0.014 0.000 0.913 347 V CB 1.830 33.665 31.823 0.020 0.000 0.992 347 V HN 1.204 nan 8.190 nan 0.000 0.449 348 S N 1.398 117.130 115.700 0.053 0.000 2.497 348 S HA 0.221 4.622 4.470 -0.116 0.000 0.221 348 S C 0.557 175.196 174.600 0.065 0.000 1.037 348 S CA 0.377 58.610 58.200 0.054 0.000 0.920 348 S CB 0.295 63.529 63.200 0.056 0.000 0.800 348 S HN 1.077 nan 8.310 nan 0.000 0.505 349 S N 0.175 115.920 115.700 0.075 0.000 2.567 349 S HA 0.718 5.118 4.470 -0.116 0.000 0.270 349 S C -1.017 173.639 174.600 0.093 0.000 1.152 349 S CA -0.315 57.932 58.200 0.079 0.000 0.835 349 S CB 1.349 64.596 63.200 0.078 0.000 1.115 349 S HN 1.140 nan 8.310 nan 0.000 0.459 350 V N -1.814 118.149 119.914 0.082 0.000 3.102 350 V HA 1.094 5.144 4.120 -0.116 0.000 0.312 350 V C -0.206 175.933 176.094 0.076 0.000 1.135 350 V CA -0.496 61.868 62.300 0.106 0.000 1.022 350 V CB 0.922 32.812 31.823 0.112 0.000 1.056 350 V HN 2.179 nan 8.190 nan 0.000 0.436 351 A N 0.561 123.433 122.820 0.087 0.000 2.612 351 A HA 0.860 5.111 4.320 -0.116 0.000 0.293 351 A C -1.080 176.557 177.584 0.089 0.000 1.075 351 A CA -0.350 51.722 52.037 0.059 0.000 0.680 351 A CB 1.553 20.556 19.000 0.005 0.000 1.279 351 A HN 1.361 nan 8.150 nan 0.000 0.411 352 C N 0.218 119.547 119.300 0.048 0.000 2.712 352 C HA 0.906 5.296 4.460 -0.116 0.000 0.308 352 C C 0.999 176.021 174.990 0.053 0.000 1.201 352 C CA 0.105 59.152 59.018 0.048 0.000 1.554 352 C CB 1.475 29.153 27.740 -0.104 0.000 2.117 352 C HN 1.324 nan 8.230 nan 0.000 0.480 353 G N 0.518 109.384 108.800 0.111 0.000 2.705 353 G HA2 0.551 4.442 3.960 -0.116 0.000 0.299 353 G HA3 0.551 4.442 3.960 -0.116 0.000 0.299 353 G C 0.887 175.839 174.900 0.087 0.000 1.315 353 G CA 0.286 45.430 45.100 0.072 0.000 1.045 353 G HN 1.033 nan 8.290 nan 0.000 0.517 354 A N -0.659 122.190 122.820 0.047 0.000 1.917 354 A HA 0.077 4.328 4.320 -0.116 0.000 0.219 354 A C 1.808 179.464 177.584 0.120 0.000 1.182 354 A CA 2.458 54.526 52.037 0.053 0.000 0.633 354 A CB -0.258 18.756 19.000 0.023 0.000 0.819 354 A HN 0.744 nan 8.150 nan 0.000 0.448 355 S N -1.830 113.910 115.700 0.066 0.000 3.073 355 S HA 0.413 4.814 4.470 -0.116 0.000 0.252 355 S C -0.312 174.183 174.600 -0.175 0.000 0.953 355 S CA 0.145 58.323 58.200 -0.036 0.000 1.105 355 S CB 0.377 63.576 63.200 -0.003 0.000 1.070 355 S HN 0.873 nan 8.310 nan 0.000 0.574 356 V N -1.945 117.892 119.914 -0.128 0.000 3.102 356 V HA 1.078 5.128 4.120 -0.116 0.000 0.312 356 V C -0.166 175.697 176.094 -0.385 0.000 1.135 356 V CA -0.760 61.336 62.300 -0.340 0.000 1.022 356 V CB 1.488 33.092 31.823 -0.365 0.000 1.056 356 V HN 0.211 nan 8.190 nan 0.000 0.436 357 G N 0.177 108.340 108.800 -1.063 0.000 2.563 357 G HA2 0.782 4.673 3.960 -0.116 0.000 0.302 357 G HA3 0.782 4.673 3.960 -0.116 0.000 0.302 357 G C -2.176 171.469 174.900 -2.091 0.000 1.301 357 G CA -0.728 43.585 45.100 -1.311 0.000 0.965 357 G HN 0.777 nan 8.290 nan 0.000 0.480 358 Y N -0.691 118.990 120.300 -1.031 0.000 2.588 358 Y HA 0.746 5.223 4.550 -0.122 0.000 0.343 358 Y C 0.183 175.989 175.900 -0.156 0.000 1.065 358 Y CA -0.816 56.922 58.100 -0.603 0.000 1.038 358 Y CB 2.814 41.114 38.460 -0.268 0.000 1.297 358 Y HN 0.881 nan 8.280 nan 0.000 0.467 359 A N 1.031 124.033 122.820 0.302 0.000 2.459 359 A HA 0.739 4.990 4.320 -0.116 0.000 0.296 359 A C -2.021 175.742 177.584 0.299 0.000 1.039 359 A CA -0.657 51.576 52.037 0.327 0.000 0.698 359 A CB 1.048 20.295 19.000 0.411 0.000 1.261 359 A HN 0.457 nan 8.150 nan 0.000 0.405 360 V N 2.743 122.777 119.914 0.200 0.000 2.394 360 V HA 0.566 4.617 4.120 -0.116 0.000 0.282 360 V C 0.916 177.102 176.094 0.154 0.000 1.031 360 V CA 0.074 62.480 62.300 0.176 0.000 0.881 360 V CB 1.537 33.425 31.823 0.108 0.000 0.982 360 V HN 1.107 nan 8.190 nan 0.000 0.451 361 T N 2.215 116.878 114.554 0.181 0.000 2.849 361 T HA 0.290 4.571 4.350 -0.116 0.000 0.284 361 T C 1.098 175.851 174.700 0.089 0.000 1.004 361 T CA -0.708 61.467 62.100 0.126 0.000 1.021 361 T CB 0.989 69.960 68.868 0.171 0.000 1.013 361 T HN 0.487 nan 8.240 nan 0.000 0.527 362 K N 1.084 121.520 120.400 0.060 0.000 2.103 362 K HA -0.114 4.137 4.320 -0.116 0.000 0.207 362 K C 1.561 178.192 176.600 0.052 0.000 1.048 362 K CA 1.862 58.177 56.287 0.047 0.000 0.930 362 K CB -0.712 31.806 32.500 0.030 0.000 0.716 362 K HN 0.905 nan 8.250 nan 0.000 0.444 363 D N -1.038 119.400 120.400 0.063 0.000 2.363 363 D HA 0.066 4.636 4.640 -0.116 0.000 0.226 363 D C 0.903 177.242 176.300 0.065 0.000 1.020 363 D CA 0.674 54.711 54.000 0.061 0.000 0.892 363 D CB 0.023 40.862 40.800 0.065 0.000 0.900 363 D HN 0.244 nan 8.370 nan 0.000 0.531 364 G N -0.208 108.637 108.800 0.075 0.000 2.132 364 G HA2 -0.300 3.590 3.960 -0.116 0.000 0.234 364 G HA3 -0.300 3.590 3.960 -0.116 0.000 0.234 364 G C 0.182 175.127 174.900 0.075 0.000 0.989 364 G CA -0.241 44.899 45.100 0.066 0.000 0.676 364 G HN 0.423 nan 8.290 nan 0.000 0.522 365 R N -1.122 119.449 120.500 0.119 0.000 2.674 365 R HA 0.767 5.038 4.340 -0.116 0.000 0.266 365 R C -0.604 175.798 176.300 0.170 0.000 1.016 365 R CA -0.547 55.620 56.100 0.112 0.000 1.062 365 R CB 2.278 32.667 30.300 0.149 0.000 1.142 365 R HN 0.329 nan 8.270 nan 0.000 0.517 366 V N 2.674 122.640 119.914 0.086 0.000 2.638 366 V HA 0.519 4.569 4.120 -0.116 0.000 0.306 366 V C -1.582 174.572 176.094 0.100 0.000 1.052 366 V CA -0.576 61.829 62.300 0.176 0.000 0.885 366 V CB 1.384 33.268 31.823 0.102 0.000 0.999 366 V HN 0.497 nan 8.190 nan 0.000 0.424 367 F N 4.529 124.591 119.950 0.187 0.000 2.492 367 F HA 0.919 5.373 4.527 -0.121 0.000 0.327 367 F C 0.522 176.451 175.800 0.215 0.000 1.079 367 F CA -0.110 58.026 58.000 0.227 0.000 0.967 367 F CB 2.191 41.362 39.000 0.285 0.000 1.169 367 F HN 0.713 nan 8.300 nan 0.000 0.472 368 A N 1.954 124.952 122.820 0.296 0.000 2.515 368 A HA 0.904 5.155 4.320 -0.116 0.000 0.296 368 A C -2.050 175.588 177.584 0.089 0.000 1.094 368 A CA -0.637 51.318 52.037 -0.138 0.000 0.718 368 A CB 1.302 20.188 19.000 -0.190 0.000 1.307 368 A HN 0.916 nan 8.150 nan 0.000 0.408 369 W N -0.451 120.693 121.300 -0.260 0.000 3.066 369 W HA 0.735 5.337 4.660 -0.096 0.000 0.330 369 W C 0.079 176.437 176.519 -0.269 0.000 1.253 369 W CA -0.397 56.835 57.345 -0.188 0.000 1.187 369 W CB 0.297 29.689 29.460 -0.113 0.000 1.434 369 W HN 2.240 nan 8.180 nan 0.000 0.572 370 G N 0.311 109.086 108.800 -0.041 0.000 2.396 370 G HA2 0.023 3.913 3.960 -0.116 0.000 0.254 370 G HA3 0.023 3.913 3.960 -0.116 0.000 0.254 370 G C -0.978 173.801 174.900 -0.202 0.000 1.248 370 G CA -0.696 44.283 45.100 -0.201 0.000 1.033 370 G HN 1.192 nan 8.290 nan 0.000 0.502 371 M N 1.813 121.306 119.600 -0.178 0.000 2.284 371 M HA 0.400 4.811 4.480 -0.116 0.000 0.351 371 M C 1.486 177.680 176.300 -0.177 0.000 1.443 371 M CA 1.387 56.584 55.300 -0.172 0.000 1.031 371 M CB 0.371 32.872 32.600 -0.165 0.000 1.893 371 M HN 1.064 nan 8.290 nan 0.000 0.456 372 G N 2.233 110.923 108.800 -0.183 0.000 3.088 372 G HA2 -0.014 3.877 3.960 -0.116 0.000 0.217 372 G HA3 -0.014 3.877 3.960 -0.116 0.000 0.217 372 G C 0.999 175.719 174.900 -0.300 0.000 1.159 372 G CA 0.231 45.215 45.100 -0.193 0.000 0.760 372 G HN 0.804 nan 8.290 nan 0.000 0.550 373 T N 1.780 116.165 114.554 -0.281 0.000 2.721 373 T HA -0.175 4.106 4.350 -0.116 0.000 0.268 373 T C 1.937 176.461 174.700 -0.294 0.000 1.038 373 T CA 1.326 63.248 62.100 -0.296 0.000 1.145 373 T CB -0.122 68.609 68.868 -0.228 0.000 0.858 373 T HN 0.279 nan 8.240 nan 0.000 0.459 374 N N 0.137 118.734 118.700 -0.173 0.000 2.322 374 N HA 0.084 4.755 4.740 -0.116 0.000 0.194 374 N C -0.347 175.220 175.510 0.095 0.000 1.126 374 N CA 0.037 53.073 53.050 -0.024 0.000 0.845 374 N CB -0.065 38.439 38.487 0.028 0.000 0.976 374 N HN 0.512 nan 8.380 nan 0.000 0.475 375 Y N -0.062 120.242 120.300 0.007 0.000 3.929 375 Y HA -0.285 4.194 4.550 -0.118 0.000 0.225 375 Y C 1.182 177.102 175.900 0.034 0.000 1.200 375 Y CA 0.219 58.329 58.100 0.017 0.000 1.791 375 Y CB -2.416 36.056 38.460 0.019 0.000 1.561 375 Y HN 0.199 nan 8.280 nan 0.000 0.657 376 Q N -0.133 119.735 119.800 0.113 0.000 2.424 376 Q HA 0.073 4.344 4.340 -0.116 0.000 0.204 376 Q C 1.857 177.951 176.000 0.156 0.000 0.933 376 Q CA 0.621 56.507 55.803 0.137 0.000 0.929 376 Q CB 0.137 28.947 28.738 0.119 0.000 1.037 376 Q HN 0.682 nan 8.270 nan 0.000 0.511 377 L N -0.880 120.388 121.223 0.075 0.000 2.217 377 L HA 0.053 4.323 4.340 -0.116 0.000 0.211 377 L C 1.344 178.272 176.870 0.096 0.000 1.107 377 L CA 0.750 55.618 54.840 0.047 0.000 0.783 377 L CB -0.327 41.731 42.059 -0.002 0.000 0.919 377 L HN 0.414 nan 8.230 nan 0.000 0.442 378 G N 0.231 109.100 108.800 0.115 0.000 2.153 378 G HA2 -0.333 3.557 3.960 -0.116 0.000 0.252 378 G HA3 -0.333 3.557 3.960 -0.116 0.000 0.252 378 G C 0.890 175.832 174.900 0.071 0.000 0.994 378 G CA 0.717 45.872 45.100 0.092 0.000 0.698 378 G HN 0.410 nan 8.290 nan 0.000 0.521 379 T N -3.326 111.278 114.554 0.084 0.000 3.054 379 T HA 0.414 4.694 4.350 -0.116 0.000 0.259 379 T C 2.470 177.219 174.700 0.081 0.000 1.092 379 T CA 1.801 63.942 62.100 0.068 0.000 1.121 379 T CB 0.303 69.211 68.868 0.067 0.000 0.912 379 T HN 2.156 nan 8.240 nan 0.000 0.489 380 G N 0.302 109.177 108.800 0.125 0.000 2.232 380 G HA2 -0.167 3.724 3.960 -0.116 0.000 0.226 380 G HA3 -0.167 3.724 3.960 -0.116 0.000 0.226 380 G C -0.023 175.006 174.900 0.216 0.000 0.996 380 G CA -0.078 45.093 45.100 0.119 0.000 0.626 380 G HN 0.630 nan 8.290 nan 0.000 0.509 381 Q N 0.262 120.192 119.800 0.217 0.000 2.297 381 Q HA 0.505 4.775 4.340 -0.116 0.000 0.269 381 Q C 0.070 176.111 176.000 0.069 0.000 1.051 381 Q CA 0.016 55.944 55.803 0.208 0.000 0.869 381 Q CB 1.570 30.368 28.738 0.099 0.000 1.346 381 Q HN 0.409 nan 8.270 nan 0.000 0.457 382 D N -1.270 119.049 120.400 -0.136 0.000 2.368 382 D HA 0.043 4.613 4.640 -0.116 0.000 0.218 382 D C -0.430 175.740 176.300 -0.218 0.000 1.112 382 D CA -0.046 53.677 54.000 -0.462 0.000 0.834 382 D CB 0.398 40.736 40.800 -0.769 0.000 0.953 382 D HN 0.341 nan 8.370 nan 0.000 0.505 383 E N 1.036 121.185 120.200 -0.085 0.000 2.366 383 E HA 0.096 4.377 4.350 -0.116 0.000 0.266 383 E C -0.279 176.315 176.600 -0.010 0.000 1.051 383 E CA -0.472 55.915 56.400 -0.022 0.000 0.884 383 E CB 0.796 30.515 29.700 0.033 0.000 1.006 383 E HN 0.152 nan 8.360 nan 0.000 0.417 384 D N 0.917 121.334 120.400 0.028 0.000 2.382 384 D HA 0.207 4.777 4.640 -0.116 0.000 0.240 384 D C -0.638 175.722 176.300 0.099 0.000 1.146 384 D CA 0.126 54.136 54.000 0.016 0.000 0.897 384 D CB 1.004 41.827 40.800 0.039 0.000 1.197 384 D HN 0.384 nan 8.370 nan 0.000 0.432 385 A N 1.519 124.355 122.820 0.027 0.000 2.285 385 A HA 0.309 4.559 4.320 -0.116 0.000 0.310 385 A C -0.125 177.516 177.584 0.095 0.000 1.266 385 A CA -0.810 51.304 52.037 0.128 0.000 0.832 385 A CB 0.178 19.250 19.000 0.120 0.000 1.163 385 A HN 0.615 nan 8.150 nan 0.000 0.499 386 W N 2.063 123.408 121.300 0.074 0.000 2.905 386 W HA 0.177 4.773 4.660 -0.107 0.000 0.251 386 W C 0.575 177.093 176.519 -0.002 0.000 1.305 386 W CA 0.536 57.909 57.345 0.047 0.000 1.465 386 W CB 0.340 29.813 29.460 0.023 0.000 1.122 386 W HN 0.526 nan 8.180 nan 0.000 0.659 387 S N -0.803 115.012 115.700 0.192 0.000 2.568 387 S HA 0.436 4.837 4.470 -0.116 0.000 0.293 387 S C -2.599 172.073 174.600 0.121 0.000 1.089 387 S CA -1.400 56.839 58.200 0.065 0.000 0.945 387 S CB 1.831 65.074 63.200 0.071 0.000 1.077 387 S HN -0.431 nan 8.310 nan 0.000 0.485 388 P HA 0.161 nan 4.420 nan 0.000 0.265 388 P C -1.166 176.367 177.300 0.388 0.000 1.193 388 P CA -0.066 63.229 63.100 0.325 0.000 0.765 388 P CB 0.453 32.247 31.700 0.155 0.000 0.823 389 V N 3.106 123.254 119.914 0.390 0.000 2.588 389 V HA 0.248 4.299 4.120 -0.116 0.000 0.304 389 V C -0.318 175.778 176.094 0.002 0.000 1.042 389 V CA -0.922 61.502 62.300 0.207 0.000 0.877 389 V CB 1.619 33.517 31.823 0.125 0.000 0.996 389 V HN 0.465 nan 8.190 nan 0.000 0.425 390 E N 5.848 125.863 120.200 -0.309 0.000 2.344 390 E HA 0.244 4.524 4.350 -0.116 0.000 0.270 390 E C -0.310 176.116 176.600 -0.289 0.000 1.021 390 E CA -0.343 55.625 56.400 -0.720 0.000 0.887 390 E CB 0.760 29.995 29.700 -0.775 0.000 0.997 390 E HN 0.698 nan 8.360 nan 0.000 0.429 391 M N 4.771 124.237 119.600 -0.223 0.000 2.200 391 M HA 0.218 4.628 4.480 -0.116 0.000 0.355 391 M C -0.137 176.112 176.300 -0.085 0.000 1.283 391 M CA 0.747 55.996 55.300 -0.084 0.000 1.124 391 M CB 0.753 33.341 32.600 -0.019 0.000 1.625 391 M HN 0.406 nan 8.290 nan 0.000 0.463 392 M N 1.556 121.128 119.600 -0.048 0.000 2.572 392 M HA 0.846 5.256 4.480 -0.116 0.000 0.299 392 M C -0.196 176.093 176.300 -0.018 0.000 1.205 392 M CA -0.713 54.564 55.300 -0.038 0.000 0.876 392 M CB 2.831 35.408 32.600 -0.037 0.000 1.728 392 M HN 0.835 nan 8.290 nan 0.000 0.458 393 G N 0.691 109.481 108.800 -0.017 0.000 2.340 393 G HA2 0.140 4.030 3.960 -0.116 0.000 0.298 393 G HA3 0.140 4.030 3.960 -0.116 0.000 0.298 393 G C -0.506 174.386 174.900 -0.013 0.000 1.498 393 G CA -0.689 44.403 45.100 -0.012 0.000 0.847 393 G HN 0.807 nan 8.290 nan 0.000 0.594 394 K N -0.435 119.957 120.400 -0.013 0.000 2.074 394 K HA -0.155 4.096 4.320 -0.116 0.000 0.209 394 K C 1.828 178.420 176.600 -0.014 0.000 1.048 394 K CA 1.876 58.155 56.287 -0.013 0.000 0.926 394 K CB 0.006 32.497 32.500 -0.014 0.000 0.713 394 K HN 0.365 nan 8.250 nan 0.000 0.444 395 Q N 0.107 119.898 119.800 -0.015 0.000 2.482 395 Q HA -0.002 4.269 4.340 -0.116 0.000 0.209 395 Q C 1.582 177.573 176.000 -0.014 0.000 0.961 395 Q CA 0.629 56.423 55.803 -0.016 0.000 0.945 395 Q CB 0.301 29.029 28.738 -0.017 0.000 1.012 395 Q HN 0.422 nan 8.270 nan 0.000 0.515 396 L N 0.069 121.284 121.223 -0.014 0.000 2.616 396 L HA 0.133 4.403 4.340 -0.116 0.000 0.229 396 L C 0.258 177.121 176.870 -0.011 0.000 1.110 396 L CA -0.021 54.811 54.840 -0.014 0.000 0.884 396 L CB 0.406 42.454 42.059 -0.018 0.000 1.115 396 L HN 0.053 nan 8.230 nan 0.000 0.481 397 E N 1.386 121.580 120.200 -0.011 0.000 2.376 397 E HA -0.016 4.265 4.350 -0.116 0.000 0.266 397 E C -0.046 176.550 176.600 -0.006 0.000 1.009 397 E CA -0.175 56.221 56.400 -0.008 0.000 0.902 397 E CB 0.222 29.917 29.700 -0.008 0.000 0.972 397 E HN 0.124 nan 8.360 nan 0.000 0.439 398 N N 1.982 120.680 118.700 -0.003 0.000 2.714 398 N HA -0.201 4.469 4.740 -0.116 0.000 0.250 398 N C -0.955 174.555 175.510 -0.000 0.000 1.117 398 N CA 1.153 54.203 53.050 -0.001 0.000 0.719 398 N CB -0.641 37.845 38.487 -0.002 0.000 1.081 398 N HN 0.490 nan 8.380 nan 0.000 0.557 399 R N -0.753 119.747 120.500 -0.000 0.000 2.771 399 R HA 0.679 4.949 4.340 -0.116 0.000 0.274 399 R C -0.300 176.003 176.300 0.005 0.000 0.987 399 R CA -0.887 55.214 56.100 0.001 0.000 0.908 399 R CB 2.234 32.532 30.300 -0.003 0.000 1.213 399 R HN -0.001 nan 8.270 nan 0.000 0.468 400 V N -0.917 119.002 119.914 0.009 0.000 2.628 400 V HA 0.615 4.665 4.120 -0.116 0.000 0.306 400 V C -0.213 175.890 176.094 0.016 0.000 1.045 400 V CA -0.859 61.451 62.300 0.017 0.000 0.905 400 V CB 1.904 33.740 31.823 0.022 0.000 0.997 400 V HN 0.402 nan 8.190 nan 0.000 0.436 401 V N 5.409 125.336 119.914 0.022 0.000 2.461 401 V HA 0.277 4.327 4.120 -0.116 0.000 0.275 401 V C 1.027 177.136 176.094 0.025 0.000 1.047 401 V CA -0.087 62.224 62.300 0.018 0.000 0.955 401 V CB 0.991 32.827 31.823 0.023 0.000 0.988 401 V HN 0.914 nan 8.190 nan 0.000 0.471 402 L N 3.417 124.649 121.223 0.015 0.000 2.253 402 L HA 0.210 4.481 4.340 -0.116 0.000 0.205 402 L C 0.908 177.791 176.870 0.020 0.000 1.078 402 L CA 0.732 55.584 54.840 0.021 0.000 0.805 402 L CB 0.321 42.390 42.059 0.017 0.000 0.963 402 L HN 0.855 nan 8.230 nan 0.000 0.459 403 S N -1.846 113.856 115.700 0.002 0.000 2.611 403 S HA 0.586 4.987 4.470 -0.116 0.000 0.268 403 S C -1.259 173.307 174.600 -0.056 0.000 1.156 403 S CA -0.761 57.433 58.200 -0.010 0.000 0.817 403 S CB 2.406 65.602 63.200 -0.006 0.000 1.122 403 S HN -0.166 nan 8.310 nan 0.000 0.466 404 V N 0.498 120.357 119.914 -0.091 0.000 2.888 404 V HA 0.909 4.959 4.120 -0.116 0.000 0.309 404 V C -1.044 174.914 176.094 -0.227 0.000 1.114 404 V CA 0.209 62.384 62.300 -0.208 0.000 0.940 404 V CB 1.922 33.570 31.823 -0.291 0.000 1.021 404 V HN 1.386 nan 8.190 nan 0.000 0.426 405 S N 3.761 119.280 115.700 -0.302 0.000 2.536 405 S HA 0.808 5.208 4.470 -0.116 0.000 0.271 405 S C -1.183 173.198 174.600 -0.364 0.000 1.134 405 S CA -0.037 58.004 58.200 -0.264 0.000 0.897 405 S CB 1.941 65.021 63.200 -0.200 0.000 1.094 405 S HN 1.315 nan 8.310 nan 0.000 0.473 406 S N 2.046 117.565 115.700 -0.301 0.000 2.569 406 S HA 0.867 5.267 4.470 -0.116 0.000 0.280 406 S C 0.171 174.615 174.600 -0.259 0.000 1.111 406 S CA 0.021 58.036 58.200 -0.307 0.000 0.887 406 S CB 1.298 64.432 63.200 -0.109 0.000 1.095 406 S HN 1.066 nan 8.310 nan 0.000 0.476 407 G N 1.418 110.023 108.800 -0.325 0.000 3.039 407 G HA2 0.529 4.419 3.960 -0.116 0.000 0.159 407 G HA3 0.529 4.419 3.960 -0.116 0.000 0.159 407 G C 0.948 175.837 174.900 -0.017 0.000 1.284 407 G CA 0.051 45.062 45.100 -0.148 0.000 0.996 407 G HN 0.983 nan 8.290 nan 0.000 0.592 408 G N -1.143 107.700 108.800 0.072 0.000 2.394 408 G HA2 0.071 3.961 3.960 -0.116 0.000 0.215 408 G HA3 0.071 3.961 3.960 -0.116 0.000 0.215 408 G C 1.277 176.228 174.900 0.086 0.000 1.165 408 G CA 0.934 46.075 45.100 0.069 0.000 0.784 408 G HN 0.486 nan 8.290 nan 0.000 0.535 409 Q N -0.697 119.197 119.800 0.157 0.000 2.113 409 Q HA 0.141 4.411 4.340 -0.116 0.000 0.225 409 Q C -0.150 175.974 176.000 0.208 0.000 0.786 409 Q CA -0.298 55.590 55.803 0.143 0.000 0.989 409 Q CB 1.029 29.835 28.738 0.113 0.000 1.174 409 Q HN 0.740 nan 8.270 nan 0.000 0.470 410 H N -1.800 117.289 119.070 0.031 0.000 2.908 410 H HA 0.677 5.173 4.556 -0.100 0.000 0.350 410 H C -1.129 174.202 175.328 0.005 0.000 1.217 410 H CA -0.664 55.403 56.048 0.033 0.000 1.168 410 H CB 1.733 31.516 29.762 0.035 0.000 1.891 410 H HN -0.225 nan 8.280 nan 0.000 0.566 411 T N 0.979 115.425 114.554 -0.180 0.000 2.916 411 T HA 0.475 4.756 4.350 -0.116 0.000 0.305 411 T C -0.928 173.643 174.700 -0.214 0.000 1.119 411 T CA -0.574 61.341 62.100 -0.308 0.000 1.008 411 T CB 1.853 70.587 68.868 -0.223 0.000 1.129 411 T HN 0.485 nan 8.240 nan 0.000 0.480 412 V N 3.491 123.248 119.914 -0.263 0.000 2.588 412 V HA 0.608 4.659 4.120 -0.116 0.000 0.304 412 V C -0.757 175.244 176.094 -0.155 0.000 1.042 412 V CA -0.809 61.412 62.300 -0.131 0.000 0.877 412 V CB 1.646 33.414 31.823 -0.092 0.000 0.996 412 V HN 0.686 nan 8.190 nan 0.000 0.425 413 L N 4.664 125.831 121.223 -0.094 0.000 2.342 413 L HA 0.656 4.927 4.340 -0.116 0.000 0.271 413 L C -0.976 175.867 176.870 -0.044 0.000 1.008 413 L CA -0.800 53.987 54.840 -0.087 0.000 0.818 413 L CB 2.097 44.111 42.059 -0.075 0.000 1.296 413 L HN 0.447 nan 8.230 nan 0.000 0.427 414 L N 3.958 125.159 121.223 -0.038 0.000 2.305 414 L HA 0.715 4.985 4.340 -0.116 0.000 0.284 414 L C -0.429 176.434 176.870 -0.012 0.000 1.013 414 L CA -0.337 54.492 54.840 -0.018 0.000 0.819 414 L CB 1.638 43.690 42.059 -0.012 0.000 1.227 414 L HN 0.403 nan 8.230 nan 0.000 0.417 415 V N 2.009 121.917 119.914 -0.009 0.000 3.126 415 V HA 0.752 4.803 4.120 -0.116 0.000 0.314 415 V C -0.904 175.188 176.094 -0.002 0.000 1.138 415 V CA -0.862 61.435 62.300 -0.005 0.000 1.034 415 V CB 1.968 33.786 31.823 -0.008 0.000 1.075 415 V HN 0.857 nan 8.190 nan 0.000 0.442 416 K N 0.454 120.855 120.400 0.001 0.000 2.482 416 K HA 0.425 4.675 4.320 -0.116 0.000 0.257 416 K C -1.145 175.456 176.600 0.002 0.000 0.969 416 K CA -0.679 55.609 56.287 0.002 0.000 0.842 416 K CB 2.494 34.998 32.500 0.007 0.000 1.359 416 K HN 0.952 nan 8.250 nan 0.000 0.441 417 D N 0.000 120.400 120.400 0.001 0.000 6.856 417 D HA 0.000 4.570 4.640 -0.116 0.000 0.175 417 D CA 0.000 54.000 54.000 0.001 0.000 0.868 417 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 417 D HN 0.000 nan 8.370 nan 0.000 0.683