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 2b3b_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKLEIFSWWA GDEGPALEAL IRLYKQKYPG VEVINATVTG GAGVNARAVL DATA SEQUENCE KTRMLGGDPP DTFQVHAGME LIGTWVVANR MEDLSALFRQ EGWLQAFPKG DATA SEQUENCE LIDLISYKGG IWSVPVNIHR SNVMWYLPAK LKGWGVNPPR TWDKFLATCQ DATA SEQUENCE TLKQKGLEAP LALGENWTQQ HLWESVALAV LGPDDWNNLW NGKLKFTDPK DATA SEQUENCE AVRAWEVFGR VLDCANKDAA GLSWQQAVDR VVQGKAAFNI MGDWAAGYMT DATA SEQUENCE TTLKLKPGTD FAWAPSPGTQ GVFMMLSDSF GLPKGAKNRQ NAINWLRLVG DATA SEQUENCE SKEGQDTSNP LKGSIAARLD SDPSKYNAYG QSAMRDWRSN RIVGSLVHGA DATA SEQUENCE VAPESFMSQF GTVMEIFLQT RNPQAAANAA QAIADQVGLG RL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.324 176.300 0.040 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 K N 1.680 122.097 120.400 0.028 0.000 2.443 2 K HA 0.895 5.215 4.320 0.000 0.000 0.251 2 K C -1.805 174.792 176.600 -0.004 0.000 0.972 2 K CA -1.072 55.223 56.287 0.013 0.000 0.833 2 K CB 3.179 35.678 32.500 -0.002 0.000 1.317 2 K HN 0.512 nan 8.250 nan 0.000 0.441 3 L N 1.148 122.341 121.223 -0.049 0.000 2.491 3 L HA 0.292 4.633 4.340 0.000 0.000 0.267 3 L C -1.285 175.473 176.870 -0.186 0.000 0.971 3 L CA -0.106 54.652 54.840 -0.136 0.000 0.857 3 L CB 1.847 43.768 42.059 -0.231 0.000 1.226 3 L HN 0.690 nan 8.230 nan 0.000 0.408 4 E N 5.746 125.856 120.200 -0.150 0.000 2.055 4 E HA 0.415 4.765 4.350 0.000 0.000 0.274 4 E C -1.103 175.401 176.600 -0.161 0.000 0.949 4 E CA -0.456 55.871 56.400 -0.123 0.000 0.775 4 E CB 0.729 30.404 29.700 -0.041 0.000 1.097 4 E HN 0.681 nan 8.360 nan 0.000 0.404 5 I N 5.396 125.817 120.570 -0.248 0.000 2.321 5 I HA 0.241 4.411 4.170 0.000 0.000 0.291 5 I C -0.402 175.704 176.117 -0.019 0.000 0.998 5 I CA -0.718 60.409 61.300 -0.287 0.000 1.227 5 I CB 0.682 38.283 38.000 -0.665 0.000 1.368 5 I HN 0.485 nan 8.210 nan 0.000 0.466 6 F N 7.103 127.051 119.950 -0.002 0.000 2.415 6 F HA 0.612 5.139 4.527 0.000 0.000 0.348 6 F C 0.302 176.124 175.800 0.036 0.000 1.119 6 F CA 0.137 58.159 58.000 0.037 0.000 1.069 6 F CB 1.067 40.112 39.000 0.075 0.000 1.124 6 F HN 0.589 nan 8.300 nan 0.000 0.472 7 S N 3.759 119.223 115.700 -0.392 0.000 2.661 7 S HA 0.324 4.794 4.470 0.000 0.000 0.268 7 S C -1.238 173.134 174.600 -0.380 0.000 1.162 7 S CA -0.751 57.191 58.200 -0.429 0.000 0.817 7 S CB 0.442 63.328 63.200 -0.523 0.000 1.141 7 S HN 0.899 nan 8.310 nan 0.000 0.477 8 W N -0.381 120.572 121.300 -0.579 0.000 2.862 8 W HA 0.638 5.298 4.660 -0.000 0.000 0.426 8 W C -0.859 175.580 176.519 -0.133 0.000 0.950 8 W CA -1.140 55.993 57.345 -0.353 0.000 2.150 8 W CB 0.131 29.408 29.460 -0.306 0.000 1.161 8 W HN 0.455 nan 8.180 nan 0.000 0.696 9 W N 2.926 124.180 121.300 -0.076 0.000 1.603 9 W HA 0.646 5.306 4.660 0.000 0.000 0.392 9 W C 0.103 176.628 176.519 0.010 0.000 0.661 9 W CA -1.880 55.434 57.345 -0.052 0.000 2.021 9 W CB -0.910 28.506 29.460 -0.074 0.000 1.759 9 W HN 0.058 nan 8.180 nan 0.000 0.334 10 A N 0.347 123.299 122.820 0.220 0.000 2.271 10 A HA 0.802 5.122 4.320 0.000 0.000 0.288 10 A C 1.120 178.784 177.584 0.133 0.000 1.094 10 A CA 0.606 52.724 52.037 0.135 0.000 0.828 10 A CB 0.124 19.177 19.000 0.089 0.000 1.091 10 A HN 0.771 nan 8.150 nan 0.000 0.493 11 G N 1.168 110.021 108.800 0.088 0.000 2.596 11 G HA2 -0.364 3.596 3.960 0.000 0.000 0.295 11 G HA3 -0.364 3.596 3.960 0.000 0.000 0.295 11 G C 0.385 175.337 174.900 0.087 0.000 1.240 11 G CA 1.427 46.568 45.100 0.069 0.000 0.985 11 G HN 1.706 nan 8.290 nan 0.000 0.555 12 D N 0.599 121.049 120.400 0.083 0.000 2.392 12 D HA 0.078 4.718 4.640 0.000 0.000 0.228 12 D C 1.685 178.087 176.300 0.171 0.000 1.003 12 D CA 1.634 55.707 54.000 0.123 0.000 0.917 12 D CB -0.119 40.778 40.800 0.161 0.000 0.890 12 D HN 0.691 nan 8.370 nan 0.000 0.532 13 E N -0.024 120.289 120.200 0.188 0.000 2.478 13 E HA 0.062 4.412 4.350 0.000 0.000 0.194 13 E C 2.005 178.673 176.600 0.114 0.000 1.045 13 E CA 0.384 56.913 56.400 0.214 0.000 0.868 13 E CB 0.219 30.120 29.700 0.335 0.000 0.885 13 E HN 0.545 nan 8.360 nan 0.000 0.505 14 G N 2.393 111.266 108.800 0.123 0.000 2.448 14 G HA2 -0.122 3.838 3.960 0.000 0.000 0.218 14 G HA3 -0.122 3.838 3.960 0.000 0.000 0.218 14 G C -0.886 174.041 174.900 0.046 0.000 1.135 14 G CA 0.055 45.217 45.100 0.104 0.000 0.784 14 G HN 0.202 nan 8.290 nan 0.000 0.543 15 P HA -0.144 nan 4.420 nan 0.000 0.215 15 P C 2.270 179.559 177.300 -0.019 0.000 1.157 15 P CA 2.142 65.251 63.100 0.014 0.000 0.874 15 P CB -0.064 31.647 31.700 0.019 0.000 0.790 16 A N -0.876 121.897 122.820 -0.079 0.000 1.877 16 A HA -0.180 4.140 4.320 0.000 0.000 0.216 16 A C 2.154 179.681 177.584 -0.095 0.000 1.186 16 A CA 1.574 53.536 52.037 -0.124 0.000 0.620 16 A CB -1.681 17.183 19.000 -0.226 0.000 0.822 16 A HN 0.170 nan 8.150 nan 0.000 0.443 17 L N 0.173 121.335 121.223 -0.103 0.000 2.017 17 L HA -0.165 4.175 4.340 0.000 0.000 0.208 17 L C 2.107 179.063 176.870 0.144 0.000 1.073 17 L CA 2.608 57.508 54.840 0.099 0.000 0.745 17 L CB -0.837 41.387 42.059 0.274 0.000 0.894 17 L HN 0.525 nan 8.230 nan 0.000 0.432 18 E N -0.348 119.907 120.200 0.092 0.000 2.130 18 E HA -0.252 4.098 4.350 0.000 0.000 0.196 18 E C 2.169 178.821 176.600 0.087 0.000 0.998 18 E CA 1.360 57.810 56.400 0.085 0.000 0.806 18 E CB -0.356 29.380 29.700 0.059 0.000 0.738 18 E HN 0.692 nan 8.360 nan 0.000 0.459 19 A N 0.633 123.491 122.820 0.062 0.000 1.930 19 A HA -0.133 4.187 4.320 0.000 0.000 0.217 19 A C 2.128 179.762 177.584 0.084 0.000 1.175 19 A CA 0.911 52.980 52.037 0.053 0.000 0.627 19 A CB -0.462 18.546 19.000 0.014 0.000 0.815 19 A HN 0.157 nan 8.150 nan 0.000 0.443 20 L N -0.602 120.690 121.223 0.115 0.000 2.093 20 L HA -0.141 4.199 4.340 0.000 0.000 0.208 20 L C 2.420 179.485 176.870 0.326 0.000 1.085 20 L CA 1.067 56.005 54.840 0.163 0.000 0.755 20 L CB -0.359 41.792 42.059 0.154 0.000 0.904 20 L HN 0.391 nan 8.230 nan 0.000 0.435 21 I N -0.826 119.940 120.570 0.327 0.000 2.252 21 I HA -0.276 3.894 4.170 0.000 0.000 0.245 21 I C 2.719 178.993 176.117 0.262 0.000 1.102 21 I CA 1.087 62.566 61.300 0.299 0.000 1.385 21 I CB -0.286 37.795 38.000 0.135 0.000 1.064 21 I HN 0.199 nan 8.210 nan 0.000 0.414 22 R N 0.244 120.848 120.500 0.174 0.000 2.083 22 R HA -0.205 4.135 4.340 0.000 0.000 0.237 22 R C 2.301 178.682 176.300 0.136 0.000 1.137 22 R CA 1.389 57.567 56.100 0.130 0.000 0.951 22 R CB -0.523 29.826 30.300 0.081 0.000 0.851 22 R HN 0.210 nan 8.270 nan 0.000 0.434 23 L N 0.026 121.332 121.223 0.138 0.000 2.083 23 L HA -0.210 4.130 4.340 0.000 0.000 0.209 23 L C 2.036 178.996 176.870 0.150 0.000 1.083 23 L CA 1.671 56.574 54.840 0.105 0.000 0.752 23 L CB -0.658 41.447 42.059 0.076 0.000 0.899 23 L HN 0.144 nan 8.230 nan 0.000 0.433 24 Y N 0.100 120.496 120.300 0.160 0.000 2.181 24 Y HA -0.247 4.303 4.550 0.000 0.000 0.288 24 Y C 2.435 178.473 175.900 0.230 0.000 1.146 24 Y CA 1.961 60.223 58.100 0.270 0.000 1.164 24 Y CB -0.014 38.703 38.460 0.427 0.000 0.982 24 Y HN 0.151 nan 8.280 nan 0.000 0.515 25 K N -0.161 120.425 120.400 0.310 0.000 2.155 25 K HA -0.224 4.097 4.320 0.000 0.000 0.203 25 K C 2.192 178.818 176.600 0.042 0.000 1.052 25 K CA 1.396 57.801 56.287 0.197 0.000 0.948 25 K CB -0.175 32.436 32.500 0.185 0.000 0.728 25 K HN 0.450 nan 8.250 nan 0.000 0.448 26 Q N 1.491 121.298 119.800 0.012 0.000 2.124 26 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 26 Q C 1.491 177.394 176.000 -0.163 0.000 0.977 26 Q CA 1.562 57.334 55.803 -0.052 0.000 0.850 26 Q CB 0.212 28.931 28.738 -0.031 0.000 0.901 26 Q HN 0.163 nan 8.270 nan 0.000 0.429 27 K N -0.895 119.329 120.400 -0.293 0.000 2.228 27 K HA -0.055 4.265 4.320 0.000 0.000 0.202 27 K C -0.290 175.754 176.600 -0.928 0.000 1.051 27 K CA 0.578 56.475 56.287 -0.650 0.000 0.960 27 K CB 0.455 32.418 32.500 -0.896 0.000 0.743 27 K HN 0.196 nan 8.250 nan 0.000 0.458 28 Y N -0.177 119.974 120.300 -0.249 0.000 2.592 28 Y HA 0.234 4.784 4.550 0.000 0.000 0.354 28 Y C -2.227 173.611 175.900 -0.103 0.000 1.063 28 Y CA -2.409 55.551 58.100 -0.232 0.000 1.205 28 Y CB 1.173 39.358 38.460 -0.457 0.000 1.106 28 Y HN -0.024 nan 8.280 nan 0.000 0.649 29 P HA -0.076 nan 4.420 nan 0.000 0.222 29 P C 1.584 178.923 177.300 0.066 0.000 1.147 29 P CA 1.306 64.428 63.100 0.037 0.000 0.790 29 P CB 0.433 32.136 31.700 0.006 0.000 0.780 30 G N -0.901 107.946 108.800 0.079 0.000 2.920 30 G HA2 0.099 4.059 3.960 0.000 0.000 0.208 30 G HA3 0.099 4.059 3.960 0.000 0.000 0.208 30 G C 0.116 175.069 174.900 0.088 0.000 1.159 30 G CA 0.051 45.195 45.100 0.072 0.000 0.784 30 G HN 0.163 nan 8.290 nan 0.000 0.535 31 V N 1.368 121.359 119.914 0.129 0.000 2.370 31 V HA 0.273 4.394 4.120 0.000 0.000 0.283 31 V C -0.436 175.742 176.094 0.140 0.000 1.023 31 V CA -1.277 61.115 62.300 0.153 0.000 0.857 31 V CB 1.743 33.726 31.823 0.267 0.000 0.985 31 V HN 0.131 nan 8.190 nan 0.000 0.443 32 E N 3.432 123.683 120.200 0.085 0.000 2.217 32 E HA 0.221 4.571 4.350 0.000 0.000 0.279 32 E C -0.619 176.000 176.600 0.031 0.000 1.068 32 E CA -0.148 56.285 56.400 0.056 0.000 0.882 32 E CB 1.832 31.551 29.700 0.031 0.000 1.039 32 E HN 0.453 nan 8.360 nan 0.000 0.418 33 V N 5.468 125.394 119.914 0.020 0.000 2.406 33 V HA 0.175 4.295 4.120 0.000 0.000 0.272 33 V C 0.370 176.421 176.094 -0.071 0.000 1.043 33 V CA -0.528 61.733 62.300 -0.066 0.000 0.915 33 V CB 0.519 32.282 31.823 -0.100 0.000 0.988 33 V HN 0.452 nan 8.190 nan 0.000 0.466 34 I N 4.804 125.316 120.570 -0.096 0.000 2.304 34 I HA 0.276 4.446 4.170 0.000 0.000 0.291 34 I C 0.493 176.547 176.117 -0.104 0.000 1.018 34 I CA 0.130 61.386 61.300 -0.073 0.000 1.260 34 I CB 0.878 38.847 38.000 -0.050 0.000 1.390 34 I HN 0.485 nan 8.210 nan 0.000 0.475 35 N N 6.114 124.766 118.700 -0.079 0.000 2.767 35 N HA 0.348 5.088 4.740 0.000 0.000 0.238 35 N C -0.464 175.002 175.510 -0.073 0.000 1.083 35 N CA -0.335 52.664 53.050 -0.084 0.000 0.964 35 N CB 0.802 39.263 38.487 -0.045 0.000 1.252 35 N HN 0.637 nan 8.380 nan 0.000 0.512 36 A N 2.781 125.547 122.820 -0.089 0.000 2.922 36 A HA 0.289 4.609 4.320 0.000 0.000 0.298 36 A C 0.510 177.932 177.584 -0.270 0.000 1.588 36 A CA -0.600 51.372 52.037 -0.108 0.000 1.288 36 A CB -0.894 18.103 19.000 -0.004 0.000 1.130 36 A HN 0.571 nan 8.150 nan 0.000 0.557 37 T N -0.996 113.437 114.554 -0.202 0.000 2.882 37 T HA 0.555 4.905 4.350 0.000 0.000 0.287 37 T C -0.225 174.324 174.700 -0.251 0.000 0.992 37 T CA -0.622 61.338 62.100 -0.235 0.000 1.076 37 T CB 1.494 70.319 68.868 -0.073 0.000 0.961 37 T HN 0.228 nan 8.240 nan 0.000 0.490 38 V N 3.409 123.149 119.914 -0.291 0.000 2.357 38 V HA 0.313 4.433 4.120 0.000 0.000 0.284 38 V C 0.555 176.619 176.094 -0.051 0.000 1.018 38 V CA -0.854 61.344 62.300 -0.170 0.000 0.841 38 V CB 1.302 33.007 31.823 -0.196 0.000 0.991 38 V HN 1.136 nan 8.190 nan 0.000 0.437 39 T N 3.825 118.368 114.554 -0.018 0.000 2.853 39 T HA 0.536 4.886 4.350 0.000 0.000 0.298 39 T C 0.479 175.192 174.700 0.021 0.000 0.978 39 T CA 0.427 62.544 62.100 0.028 0.000 1.152 39 T CB 0.724 69.606 68.868 0.024 0.000 0.914 39 T HN 1.273 nan 8.240 nan 0.000 0.539 40 G N 1.644 110.476 108.800 0.053 0.000 2.088 40 G HA2 0.439 4.399 3.960 0.000 0.000 0.222 40 G HA3 0.439 4.399 3.960 0.000 0.000 0.222 40 G C -0.055 174.831 174.900 -0.024 0.000 1.690 40 G CA -0.631 44.482 45.100 0.021 0.000 0.923 40 G HN 0.876 nan 8.290 nan 0.000 0.730 41 G N 0.354 109.243 108.800 0.150 0.000 2.287 41 G HA2 0.519 4.479 3.960 0.000 0.000 0.235 41 G HA3 0.519 4.479 3.960 0.000 0.000 0.235 41 G C 1.408 175.841 174.900 -0.779 0.000 1.258 41 G CA 1.720 46.894 45.100 0.122 0.000 0.884 41 G HN 2.499 nan 8.290 nan 0.000 0.518 42 A N 0.811 123.031 122.820 -1.000 0.000 2.945 42 A HA 0.155 4.475 4.320 0.000 0.000 0.263 42 A C 2.382 179.083 177.584 -1.471 0.000 1.293 42 A CA 1.818 53.138 52.037 -1.195 0.000 0.944 42 A CB -1.453 16.384 19.000 -1.938 0.000 1.093 42 A HN 3.042 nan 8.150 nan 0.000 0.786 43 G N -3.495 103.926 108.800 -2.299 0.000 2.168 43 G HA2 -0.176 3.784 3.960 0.000 0.000 0.257 43 G HA3 -0.176 3.784 3.960 0.000 0.000 0.257 43 G C 1.165 175.466 174.900 -0.999 0.000 0.997 43 G CA 1.080 44.780 45.100 -2.332 0.000 0.708 43 G HN 1.581 nan 8.290 nan 0.000 0.520 44 V N 0.476 119.977 119.914 -0.689 0.000 2.295 44 V HA -0.213 3.907 4.120 0.000 0.000 0.246 44 V C 2.646 178.591 176.094 -0.248 0.000 1.049 44 V CA 2.438 64.517 62.300 -0.368 0.000 1.024 44 V CB -0.395 31.294 31.823 -0.224 0.000 0.648 44 V HN 0.528 nan 8.190 nan 0.000 0.447 45 N N 0.660 119.230 118.700 -0.217 0.000 2.142 45 N HA -0.086 4.654 4.740 0.000 0.000 0.186 45 N C 1.937 177.397 175.510 -0.083 0.000 1.023 45 N CA 1.627 54.608 53.050 -0.115 0.000 0.852 45 N CB -0.614 37.829 38.487 -0.074 0.000 0.998 45 N HN 0.471 nan 8.380 nan 0.000 0.424 46 A N 1.646 124.391 122.820 -0.125 0.000 1.917 46 A HA -0.177 4.144 4.320 0.000 0.000 0.219 46 A C 2.285 179.938 177.584 0.115 0.000 1.182 46 A CA 1.427 53.493 52.037 0.049 0.000 0.633 46 A CB -0.599 18.454 19.000 0.089 0.000 0.819 46 A HN 0.218 nan 8.150 nan 0.000 0.448 47 R N -0.787 119.674 120.500 -0.065 0.000 2.112 47 R HA -0.211 4.129 4.340 0.000 0.000 0.242 47 R C 2.480 178.771 176.300 -0.014 0.000 1.137 47 R CA 1.682 57.751 56.100 -0.051 0.000 0.944 47 R CB -0.472 29.752 30.300 -0.127 0.000 0.857 47 R HN 0.546 nan 8.270 nan 0.000 0.435 48 A N -0.109 122.696 122.820 -0.025 0.000 1.902 48 A HA -0.114 4.206 4.320 0.000 0.000 0.217 48 A C 2.287 179.878 177.584 0.012 0.000 1.181 48 A CA 1.543 53.574 52.037 -0.010 0.000 0.623 48 A CB -0.449 18.538 19.000 -0.022 0.000 0.818 48 A HN 0.183 nan 8.150 nan 0.000 0.443 49 V N -0.390 119.555 119.914 0.051 0.000 2.358 49 V HA -0.190 3.930 4.120 0.000 0.000 0.246 49 V C 2.465 178.559 176.094 -0.000 0.000 1.047 49 V CA 1.753 64.103 62.300 0.082 0.000 1.035 49 V CB -0.752 31.182 31.823 0.184 0.000 0.658 49 V HN 0.563 nan 8.190 nan 0.000 0.452 50 L N 0.601 121.782 121.223 -0.070 0.000 2.012 50 L HA -0.195 4.145 4.340 0.000 0.000 0.210 50 L C 2.466 179.152 176.870 -0.305 0.000 1.073 50 L CA 2.180 56.732 54.840 -0.480 0.000 0.748 50 L CB -0.774 40.905 42.059 -0.632 0.000 0.891 50 L HN 0.253 nan 8.230 nan 0.000 0.431 51 K N -1.401 118.975 120.400 -0.040 0.000 2.074 51 K HA -0.200 4.120 4.320 0.000 0.000 0.209 51 K C 1.833 178.431 176.600 -0.004 0.000 1.048 51 K CA 2.023 58.384 56.287 0.123 0.000 0.926 51 K CB -0.208 32.374 32.500 0.137 0.000 0.713 51 K HN 0.440 nan 8.250 nan 0.000 0.444 52 T N 0.716 115.244 114.554 -0.044 0.000 2.746 52 T HA -0.090 4.260 4.350 0.000 0.000 0.267 52 T C 1.875 176.515 174.700 -0.098 0.000 1.039 52 T CA 1.184 63.255 62.100 -0.048 0.000 1.142 52 T CB -0.109 68.741 68.868 -0.030 0.000 0.866 52 T HN 0.330 nan 8.240 nan 0.000 0.444 53 R N 0.247 120.647 120.500 -0.167 0.000 2.062 53 R HA 0.080 4.420 4.340 0.000 0.000 0.229 53 R C 2.598 178.728 176.300 -0.283 0.000 1.128 53 R CA 1.038 57.010 56.100 -0.214 0.000 0.960 53 R CB -0.255 29.876 30.300 -0.282 0.000 0.855 53 R HN 0.305 nan 8.270 nan 0.000 0.432 54 M N 0.632 119.966 119.600 -0.443 0.000 2.086 54 M HA -0.128 4.352 4.480 0.000 0.000 0.261 54 M C 2.278 178.386 176.300 -0.320 0.000 1.067 54 M CA 1.613 56.550 55.300 -0.604 0.000 1.116 54 M CB -0.704 31.060 32.600 -1.393 0.000 1.348 54 M HN 0.165 nan 8.290 nan 0.000 0.407 55 L N -1.078 120.053 121.223 -0.154 0.000 2.376 55 L HA -0.019 4.321 4.340 0.000 0.000 0.219 55 L C 2.242 179.086 176.870 -0.044 0.000 1.133 55 L CA 0.675 55.499 54.840 -0.026 0.000 0.816 55 L CB -0.946 41.143 42.059 0.050 0.000 0.933 55 L HN 0.363 nan 8.230 nan 0.000 0.449 56 G N -0.853 107.903 108.800 -0.074 0.000 2.985 56 G HA2 0.217 4.177 3.960 0.000 0.000 0.209 56 G HA3 0.217 4.177 3.960 0.000 0.000 0.209 56 G C 1.217 176.078 174.900 -0.065 0.000 1.165 56 G CA 0.405 45.470 45.100 -0.059 0.000 0.776 56 G HN 0.459 nan 8.290 nan 0.000 0.541 57 G N 0.293 109.040 108.800 -0.088 0.000 2.198 57 G HA2 -0.238 3.722 3.960 0.000 0.000 0.257 57 G HA3 -0.238 3.722 3.960 0.000 0.000 0.257 57 G C 0.003 174.851 174.900 -0.086 0.000 1.042 57 G CA 0.390 45.443 45.100 -0.080 0.000 0.791 57 G HN 0.569 nan 8.290 nan 0.000 0.502 58 D N 0.302 120.630 120.400 -0.120 0.000 2.739 58 D HA 0.357 4.997 4.640 0.000 0.000 0.335 58 D C -1.734 174.477 176.300 -0.148 0.000 1.216 58 D CA -1.552 52.385 54.000 -0.106 0.000 0.808 58 D CB 1.204 41.953 40.800 -0.085 0.000 1.121 58 D HN 0.272 nan 8.370 nan 0.000 0.499 59 P HA 0.248 nan 4.420 nan 0.000 0.272 59 P C -2.544 174.691 177.300 -0.109 0.000 1.223 59 P CA -1.088 61.901 63.100 -0.185 0.000 0.784 59 P CB 0.662 32.283 31.700 -0.132 0.000 0.923 60 P HA 0.155 nan 4.420 nan 0.000 0.282 60 P C 0.234 177.548 177.300 0.024 0.000 1.287 60 P CA -0.124 62.969 63.100 -0.011 0.000 0.792 60 P CB 0.832 32.561 31.700 0.048 0.000 1.163 61 D N -1.619 118.788 120.400 0.012 0.000 2.178 61 D HA -0.014 4.626 4.640 0.000 0.000 0.202 61 D C 0.759 177.076 176.300 0.027 0.000 0.974 61 D CA 1.667 55.666 54.000 -0.001 0.000 0.841 61 D CB 0.104 40.874 40.800 -0.051 0.000 0.953 61 D HN 0.354 nan 8.370 nan 0.000 0.478 62 T N -1.184 113.405 114.554 0.059 0.000 2.830 62 T HA 0.464 4.814 4.350 0.000 0.000 0.322 62 T C -2.005 172.873 174.700 0.296 0.000 1.501 62 T CA -0.914 61.254 62.100 0.113 0.000 1.036 62 T CB 0.825 69.775 68.868 0.137 0.000 1.379 62 T HN -0.024 nan 8.240 nan 0.000 0.493 63 F N 1.092 121.206 119.950 0.273 0.000 2.591 63 F HA 0.648 5.175 4.527 0.000 0.000 0.309 63 F C -0.267 175.463 175.800 -0.117 0.000 1.098 63 F CA -1.254 56.865 58.000 0.198 0.000 0.937 63 F CB 1.552 40.570 39.000 0.030 0.000 1.250 63 F HN 0.609 nan 8.300 nan 0.000 0.447 64 Q N 2.473 122.123 119.800 -0.250 0.000 2.263 64 Q HA 0.413 4.753 4.340 0.000 0.000 0.289 64 Q C -1.418 174.421 176.000 -0.269 0.000 1.061 64 Q CA 0.080 55.336 55.803 -0.911 0.000 0.927 64 Q CB 0.967 28.961 28.738 -1.241 0.000 1.154 64 Q HN 0.862 nan 8.270 nan 0.000 0.378 65 V N 4.602 124.310 119.914 -0.344 0.000 2.969 65 V HA 0.284 4.404 4.120 0.000 0.000 0.304 65 V C -1.609 174.435 176.094 -0.083 0.000 1.192 65 V CA -0.704 61.577 62.300 -0.032 0.000 0.962 65 V CB 2.177 34.124 31.823 0.206 0.000 1.045 65 V HN 1.010 nan 8.190 nan 0.000 0.428 66 H N 4.111 123.261 119.070 0.133 0.000 2.722 66 H HA 0.615 5.171 4.556 0.000 0.000 0.328 66 H C 0.770 176.141 175.328 0.072 0.000 1.067 66 H CA 0.423 56.537 56.048 0.110 0.000 1.447 66 H CB 1.369 31.223 29.762 0.154 0.000 1.469 66 H HN 1.016 nan 8.280 nan 0.000 0.544 67 A N 3.394 126.328 122.820 0.189 0.000 2.540 67 A HA 0.444 4.764 4.320 0.000 0.000 0.239 67 A C 1.181 178.829 177.584 0.106 0.000 1.061 67 A CA 0.756 52.864 52.037 0.118 0.000 0.758 67 A CB -0.530 18.520 19.000 0.083 0.000 0.991 67 A HN 1.051 nan 8.150 nan 0.000 0.502 68 G N 0.983 109.825 108.800 0.070 0.000 2.384 68 G HA2 -0.060 3.900 3.960 0.000 0.000 0.200 68 G HA3 -0.060 3.900 3.960 0.000 0.000 0.200 68 G C 0.613 175.504 174.900 -0.015 0.000 1.205 68 G CA 0.018 45.136 45.100 0.031 0.000 1.116 68 G HN 0.605 nan 8.290 nan 0.000 0.547 69 M N 0.908 120.476 119.600 -0.054 0.000 2.229 69 M HA 0.041 4.521 4.480 0.000 0.000 0.264 69 M C 2.161 178.403 176.300 -0.097 0.000 1.063 69 M CA 2.213 57.451 55.300 -0.103 0.000 1.114 69 M CB -1.330 31.198 32.600 -0.119 0.000 1.387 69 M HN 0.776 nan 8.290 nan 0.000 0.420 70 E N 0.600 120.777 120.200 -0.040 0.000 2.058 70 E HA -0.244 4.107 4.350 0.000 0.000 0.194 70 E C 2.060 178.652 176.600 -0.012 0.000 0.997 70 E CA 1.298 57.691 56.400 -0.010 0.000 0.801 70 E CB -0.111 29.646 29.700 0.095 0.000 0.746 70 E HN 0.322 nan 8.360 nan 0.000 0.450 71 L N 1.015 122.258 121.223 0.033 0.000 1.976 71 L HA -0.191 4.150 4.340 0.000 0.000 0.209 71 L C 2.261 179.087 176.870 -0.074 0.000 1.071 71 L CA 1.621 56.490 54.840 0.049 0.000 0.746 71 L CB -0.559 41.550 42.059 0.083 0.000 0.890 71 L HN 0.232 nan 8.230 nan 0.000 0.432 72 I N 0.222 120.692 120.570 -0.167 0.000 2.202 72 I HA -0.131 4.039 4.170 0.000 0.000 0.242 72 I C 2.513 178.387 176.117 -0.404 0.000 1.091 72 I CA 1.517 62.589 61.300 -0.381 0.000 1.368 72 I CB -2.365 35.319 38.000 -0.527 0.000 1.058 72 I HN 0.432 nan 8.210 nan 0.000 0.410 73 G N -0.806 107.808 108.800 -0.310 0.000 2.744 73 G HA2 -0.042 3.918 3.960 0.000 0.000 0.211 73 G HA3 -0.042 3.918 3.960 0.000 0.000 0.211 73 G C 1.377 176.092 174.900 -0.309 0.000 1.143 73 G CA 0.922 45.850 45.100 -0.287 0.000 0.788 73 G HN 0.373 nan 8.290 nan 0.000 0.534 74 T N -0.922 113.413 114.554 -0.364 0.000 3.556 74 T HA 0.060 4.410 4.350 0.000 0.000 0.204 74 T C 1.681 176.008 174.700 -0.623 0.000 0.896 74 T CA 0.043 61.771 62.100 -0.620 0.000 1.380 74 T CB -0.125 68.275 68.868 -0.779 0.000 1.584 74 T HN 0.374 nan 8.240 nan 0.000 0.411 75 W N 1.176 122.443 121.300 -0.055 0.000 2.658 75 W HA 0.182 4.843 4.660 0.000 0.000 0.263 75 W C 2.197 178.659 176.519 -0.095 0.000 1.274 75 W CA -0.215 57.114 57.345 -0.027 0.000 1.343 75 W CB -0.442 29.081 29.460 0.105 0.000 1.106 75 W HN 0.053 nan 8.180 nan 0.000 0.615 76 V N -0.193 119.682 119.914 -0.065 0.000 2.283 76 V HA -0.259 3.861 4.120 0.000 0.000 0.243 76 V C 1.964 177.862 176.094 -0.326 0.000 1.039 76 V CA 1.430 63.503 62.300 -0.380 0.000 1.016 76 V CB -1.105 30.304 31.823 -0.690 0.000 0.650 76 V HN -0.033 nan 8.190 nan 0.000 0.449 77 V N 0.444 120.197 119.914 -0.268 0.000 2.568 77 V HA -0.232 3.888 4.120 0.000 0.000 0.253 77 V C 2.409 178.454 176.094 -0.082 0.000 1.072 77 V CA 1.875 64.085 62.300 -0.150 0.000 1.084 77 V CB -0.798 30.916 31.823 -0.181 0.000 0.676 77 V HN 0.566 nan 8.190 nan 0.000 0.469 78 A N -0.614 122.166 122.820 -0.066 0.000 2.238 78 A HA 0.024 4.344 4.320 0.000 0.000 0.208 78 A C 0.928 178.555 177.584 0.072 0.000 1.177 78 A CA 0.659 52.710 52.037 0.023 0.000 0.804 78 A CB -0.747 18.311 19.000 0.096 0.000 0.823 78 A HN 0.736 nan 8.150 nan 0.000 0.482 79 N N -1.357 117.360 118.700 0.028 0.000 2.735 79 N HA -0.163 4.577 4.740 0.000 0.000 0.248 79 N C 0.526 176.098 175.510 0.103 0.000 1.083 79 N CA 0.645 53.725 53.050 0.049 0.000 0.703 79 N CB -0.424 38.098 38.487 0.057 0.000 1.005 79 N HN 0.406 nan 8.380 nan 0.000 0.550 80 R N -0.703 119.886 120.500 0.147 0.000 2.397 80 R HA 0.254 4.594 4.340 0.000 0.000 0.241 80 R C 0.110 176.512 176.300 0.169 0.000 0.914 80 R CA 0.411 56.606 56.100 0.158 0.000 1.071 80 R CB 0.331 30.750 30.300 0.198 0.000 1.116 80 R HN 0.274 nan 8.270 nan 0.000 0.524 81 M N 0.645 120.368 119.600 0.205 0.000 2.508 81 M HA 0.354 4.834 4.480 0.000 0.000 0.327 81 M C 0.066 176.605 176.300 0.398 0.000 1.160 81 M CA -0.826 54.642 55.300 0.281 0.000 0.980 81 M CB 1.755 34.556 32.600 0.335 0.000 1.693 81 M HN -0.149 nan 8.290 nan 0.000 0.452 82 E N 1.191 121.588 120.200 0.328 0.000 2.354 82 E HA 0.073 4.423 4.350 0.000 0.000 0.269 82 E C -0.787 175.964 176.600 0.251 0.000 1.036 82 E CA -0.344 56.226 56.400 0.283 0.000 0.876 82 E CB 0.961 30.759 29.700 0.164 0.000 1.009 82 E HN 0.396 nan 8.360 nan 0.000 0.416 83 D N 2.725 123.144 120.400 0.032 0.000 2.383 83 D HA -0.008 4.632 4.640 0.000 0.000 0.252 83 D C 0.195 176.366 176.300 -0.215 0.000 1.166 83 D CA 0.184 53.897 54.000 -0.477 0.000 0.879 83 D CB 0.675 41.219 40.800 -0.427 0.000 1.164 83 D HN 0.356 nan 8.370 nan 0.000 0.462 84 L N 2.929 124.011 121.223 -0.236 0.000 2.685 84 L HA 0.082 4.422 4.340 0.000 0.000 0.233 84 L C 1.986 178.912 176.870 0.094 0.000 1.173 84 L CA -0.230 54.640 54.840 0.051 0.000 0.961 84 L CB -0.052 42.176 42.059 0.283 0.000 1.217 84 L HN 0.278 nan 8.230 nan 0.000 0.478 85 S N 1.023 116.661 115.700 -0.103 0.000 2.383 85 S HA -0.208 4.262 4.470 0.000 0.000 0.229 85 S C 2.269 176.907 174.600 0.064 0.000 1.030 85 S CA 1.548 59.714 58.200 -0.058 0.000 1.002 85 S CB -0.007 63.111 63.200 -0.137 0.000 0.829 85 S HN 0.590 nan 8.310 nan 0.000 0.467 86 A N 0.966 123.810 122.820 0.039 0.000 1.929 86 A HA 0.034 4.354 4.320 0.000 0.000 0.216 86 A C 2.075 179.674 177.584 0.027 0.000 1.176 86 A CA 1.036 53.090 52.037 0.029 0.000 0.628 86 A CB -0.589 18.416 19.000 0.009 0.000 0.816 86 A HN 0.408 nan 8.150 nan 0.000 0.444 87 L N -1.489 119.774 121.223 0.067 0.000 2.046 87 L HA -0.059 4.282 4.340 0.000 0.000 0.208 87 L C 2.165 178.948 176.870 -0.145 0.000 1.077 87 L CA 1.819 56.641 54.840 -0.031 0.000 0.747 87 L CB -0.780 41.328 42.059 0.081 0.000 0.896 87 L HN 0.356 nan 8.230 nan 0.000 0.432 88 F N -0.049 119.896 119.950 -0.009 0.000 2.126 88 F HA -0.213 4.314 4.527 0.000 0.000 0.299 88 F C 2.687 178.451 175.800 -0.059 0.000 1.096 88 F CA 1.568 59.627 58.000 0.099 0.000 1.255 88 F CB -0.514 38.637 39.000 0.253 0.000 0.997 88 F HN 0.035 nan 8.300 nan 0.000 0.479 89 R N -0.198 120.366 120.500 0.106 0.000 2.073 89 R HA -0.229 4.111 4.340 0.000 0.000 0.234 89 R C 2.282 178.527 176.300 -0.093 0.000 1.134 89 R CA 1.728 57.838 56.100 0.016 0.000 0.952 89 R CB -0.659 29.652 30.300 0.018 0.000 0.850 89 R HN 0.389 nan 8.270 nan 0.000 0.433 90 Q N 0.621 120.331 119.800 -0.151 0.000 2.096 90 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 90 Q C 1.119 176.924 176.000 -0.325 0.000 0.982 90 Q CA 1.505 57.184 55.803 -0.206 0.000 0.850 90 Q CB 0.200 28.819 28.738 -0.198 0.000 0.901 90 Q HN 0.238 nan 8.270 nan 0.000 0.422 91 E N -0.975 118.869 120.200 -0.594 0.000 2.479 91 E HA 0.068 4.418 4.350 0.000 0.000 0.193 91 E C 0.864 177.121 176.600 -0.571 0.000 1.049 91 E CA 0.700 56.600 56.400 -0.833 0.000 0.870 91 E CB 0.642 29.149 29.700 -1.987 0.000 0.944 91 E HN 0.597 nan 8.360 nan 0.000 0.492 92 G N 1.240 109.848 108.800 -0.321 0.000 2.160 92 G HA2 -0.228 3.733 3.960 0.000 0.000 0.251 92 G HA3 -0.228 3.733 3.960 0.000 0.000 0.251 92 G C 0.550 175.470 174.900 0.034 0.000 1.008 92 G CA 0.368 45.405 45.100 -0.104 0.000 0.724 92 G HN 0.215 nan 8.290 nan 0.000 0.514 93 W N -0.068 121.190 121.300 -0.069 0.000 2.425 93 W HA 0.189 4.849 4.660 0.000 0.000 0.277 93 W C 2.397 179.036 176.519 0.200 0.000 1.231 93 W CA 0.990 58.295 57.345 -0.067 0.000 1.248 93 W CB -0.740 28.548 29.460 -0.287 0.000 1.117 93 W HN 0.418 nan 8.180 nan 0.000 0.568 94 L N -0.114 121.379 121.223 0.450 0.000 2.275 94 L HA -0.204 4.136 4.340 0.000 0.000 0.215 94 L C 1.961 178.962 176.870 0.218 0.000 1.119 94 L CA 1.159 56.213 54.840 0.356 0.000 0.790 94 L CB -0.552 41.661 42.059 0.257 0.000 0.919 94 L HN -0.063 nan 8.230 nan 0.000 0.443 95 Q N -0.794 119.092 119.800 0.144 0.000 2.391 95 Q HA 0.131 4.471 4.340 0.000 0.000 0.211 95 Q C 2.168 178.183 176.000 0.025 0.000 0.908 95 Q CA 0.883 56.731 55.803 0.075 0.000 0.920 95 Q CB 0.089 28.850 28.738 0.039 0.000 1.056 95 Q HN 0.387 nan 8.270 nan 0.000 0.523 96 A N -0.464 122.330 122.820 -0.042 0.000 2.072 96 A HA 0.157 4.477 4.320 0.000 0.000 0.216 96 A C -0.028 177.326 177.584 -0.385 0.000 1.156 96 A CA 0.465 52.344 52.037 -0.262 0.000 0.701 96 A CB 0.140 18.895 19.000 -0.409 0.000 0.816 96 A HN 0.194 nan 8.150 nan 0.000 0.458 97 F N 0.081 120.103 119.950 0.120 0.000 2.492 97 F HA 0.495 5.022 4.527 -0.000 0.000 0.327 97 F C -2.197 173.670 175.800 0.112 0.000 1.079 97 F CA -3.264 54.803 58.000 0.111 0.000 0.967 97 F CB 0.844 39.917 39.000 0.122 0.000 1.169 97 F HN -0.128 nan 8.300 nan 0.000 0.472 98 P HA 0.003 nan 4.420 nan 0.000 0.267 98 P C 0.523 177.924 177.300 0.169 0.000 1.200 98 P CA -0.161 63.044 63.100 0.176 0.000 0.772 98 P CB 0.929 32.706 31.700 0.129 0.000 0.855 99 K N 2.354 122.815 120.400 0.102 0.000 2.063 99 K HA -0.158 4.162 4.320 0.000 0.000 0.208 99 K C 2.132 178.781 176.600 0.083 0.000 1.048 99 K CA 2.080 58.422 56.287 0.092 0.000 0.928 99 K CB -1.048 31.484 32.500 0.053 0.000 0.713 99 K HN 0.633 nan 8.250 nan 0.000 0.442 100 G N 1.570 110.403 108.800 0.056 0.000 2.469 100 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 100 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 100 G C 1.383 176.344 174.900 0.100 0.000 1.136 100 G CA 0.938 46.073 45.100 0.058 0.000 0.759 100 G HN 0.321 nan 8.290 nan 0.000 0.562 101 L N 0.642 121.947 121.223 0.137 0.000 2.109 101 L HA 0.140 4.480 4.340 0.000 0.000 0.207 101 L C 2.572 179.493 176.870 0.086 0.000 1.086 101 L CA 0.994 55.914 54.840 0.133 0.000 0.760 101 L CB -0.284 41.871 42.059 0.160 0.000 0.910 101 L HN 0.101 nan 8.230 nan 0.000 0.437 102 I N -0.183 120.455 120.570 0.113 0.000 2.226 102 I HA -0.262 3.908 4.170 0.000 0.000 0.245 102 I C 2.041 178.193 176.117 0.059 0.000 1.100 102 I CA 1.214 62.570 61.300 0.093 0.000 1.374 102 I CB -1.270 36.815 38.000 0.142 0.000 1.057 102 I HN 0.291 nan 8.210 nan 0.000 0.413 103 D N 0.974 121.418 120.400 0.074 0.000 2.149 103 D HA -0.169 4.471 4.640 0.000 0.000 0.198 103 D C 2.383 178.736 176.300 0.089 0.000 0.990 103 D CA 1.016 55.062 54.000 0.076 0.000 0.839 103 D CB -0.269 40.574 40.800 0.072 0.000 0.948 103 D HN 0.305 nan 8.370 nan 0.000 0.460 104 L N 0.596 121.869 121.223 0.083 0.000 2.201 104 L HA -0.043 4.297 4.340 0.000 0.000 0.212 104 L C 2.151 179.076 176.870 0.092 0.000 1.105 104 L CA 0.660 55.550 54.840 0.084 0.000 0.775 104 L CB -0.226 41.883 42.059 0.083 0.000 0.913 104 L HN 0.135 nan 8.230 nan 0.000 0.440 105 I N -5.174 115.446 120.570 0.084 0.000 3.956 105 I HA 0.184 4.354 4.170 0.000 0.000 0.333 105 I C 0.340 176.563 176.117 0.177 0.000 1.302 105 I CA -0.154 61.211 61.300 0.108 0.000 1.122 105 I CB 0.262 38.282 38.000 0.032 0.000 1.013 105 I HN -0.088 nan 8.210 nan 0.000 0.405 106 S N 0.723 116.524 115.700 0.169 0.000 2.509 106 S HA 0.632 5.103 4.470 0.000 0.000 0.297 106 S C -1.250 173.600 174.600 0.416 0.000 1.118 106 S CA -0.322 58.003 58.200 0.209 0.000 1.074 106 S CB 1.549 64.788 63.200 0.065 0.000 1.038 106 S HN 0.364 nan 8.310 nan 0.000 0.498 107 Y N 1.612 122.137 120.300 0.375 0.000 2.424 107 Y HA 0.252 4.802 4.550 0.000 0.000 0.323 107 Y C -0.745 175.375 175.900 0.368 0.000 1.174 107 Y CA -0.947 57.340 58.100 0.311 0.000 1.060 107 Y CB 0.703 39.278 38.460 0.191 0.000 1.314 107 Y HN 0.619 nan 8.280 nan 0.000 0.439 108 K N 4.153 124.358 120.400 -0.326 0.000 3.071 108 K HA -0.199 4.121 4.320 0.000 0.000 0.262 108 K C 0.885 177.491 176.600 0.009 0.000 0.977 108 K CA 1.344 57.485 56.287 -0.244 0.000 0.721 108 K CB -1.797 30.505 32.500 -0.329 0.000 1.293 108 K HN 1.747 nan 8.250 nan 0.000 0.475 109 G N -1.898 106.916 108.800 0.023 0.000 2.184 109 G HA2 -0.290 3.670 3.960 0.000 0.000 0.264 109 G HA3 -0.290 3.670 3.960 0.000 0.000 0.264 109 G C 0.469 175.351 174.900 -0.029 0.000 0.975 109 G CA 0.807 45.911 45.100 0.007 0.000 0.642 109 G HN 0.926 nan 8.290 nan 0.000 0.536 110 G N -0.932 107.873 108.800 0.009 0.000 2.537 110 G HA2 0.735 4.695 3.960 0.000 0.000 0.323 110 G HA3 0.735 4.695 3.960 0.000 0.000 0.323 110 G C -0.582 173.895 174.900 -0.705 0.000 1.207 110 G CA -1.031 43.798 45.100 -0.452 0.000 0.976 110 G HN 0.626 nan 8.290 nan 0.000 0.487 111 I N -0.600 119.324 120.570 -1.077 0.000 2.498 111 I HA 0.317 4.487 4.170 0.000 0.000 0.290 111 I C -0.606 174.983 176.117 -0.880 0.000 1.032 111 I CA -0.543 60.252 61.300 -0.841 0.000 1.073 111 I CB 2.397 39.877 38.000 -0.867 0.000 1.251 111 I HN 0.720 nan 8.210 nan 0.000 0.426 112 W N 3.556 124.822 121.300 -0.056 0.000 2.868 112 W HA 0.203 4.863 4.660 -0.000 0.000 0.320 112 W C 0.839 177.390 176.519 0.053 0.000 1.076 112 W CA -0.134 57.230 57.345 0.032 0.000 1.576 112 W CB 0.674 30.167 29.460 0.054 0.000 1.030 112 W HN 0.548 nan 8.180 nan 0.000 0.558 113 S N -0.986 114.844 115.700 0.216 0.000 2.643 113 S HA 0.694 5.164 4.470 0.000 0.000 0.270 113 S C -1.316 173.418 174.600 0.222 0.000 1.166 113 S CA -0.907 57.406 58.200 0.188 0.000 0.815 113 S CB 1.835 65.098 63.200 0.105 0.000 1.139 113 S HN -0.234 nan 8.310 nan 0.000 0.472 114 V N 2.237 122.229 119.914 0.129 0.000 2.350 114 V HA 0.514 4.634 4.120 0.000 0.000 0.285 114 V C -2.666 173.325 176.094 -0.172 0.000 1.014 114 V CA -1.953 60.299 62.300 -0.080 0.000 0.831 114 V CB 1.094 32.768 31.823 -0.249 0.000 1.000 114 V HN 0.779 nan 8.190 nan 0.000 0.433 115 P HA 0.113 nan 4.420 nan 0.000 0.271 115 P C 0.489 177.665 177.300 -0.206 0.000 1.220 115 P CA 0.325 63.249 63.100 -0.293 0.000 0.768 115 P CB 1.464 32.883 31.700 -0.467 0.000 0.848 116 V N 2.262 122.160 119.914 -0.027 0.000 3.471 116 V HA 0.103 4.223 4.120 0.000 0.000 0.258 116 V C 0.236 176.337 176.094 0.011 0.000 1.192 116 V CA 1.124 63.443 62.300 0.031 0.000 1.116 116 V CB -0.500 31.422 31.823 0.165 0.000 0.792 116 V HN 0.784 nan 8.190 nan 0.000 0.459 117 N N -0.785 117.903 118.700 -0.020 0.000 3.179 117 N HA 0.340 5.080 4.740 0.000 0.000 0.250 117 N C -1.636 173.787 175.510 -0.145 0.000 1.507 117 N CA -0.662 52.335 53.050 -0.088 0.000 0.883 117 N CB 1.076 39.483 38.487 -0.132 0.000 1.435 117 N HN -0.150 nan 8.380 nan 0.000 0.532 118 I N 0.746 121.160 120.570 -0.260 0.000 2.478 118 I HA 0.314 4.484 4.170 0.000 0.000 0.287 118 I C -0.641 175.360 176.117 -0.194 0.000 1.042 118 I CA -0.248 60.859 61.300 -0.323 0.000 1.067 118 I CB 1.089 38.588 38.000 -0.835 0.000 1.233 118 I HN 0.581 nan 8.210 nan 0.000 0.431 119 H N 4.908 124.021 119.070 0.073 0.000 2.533 119 H HA 0.481 5.037 4.556 0.000 0.000 0.343 119 H C -0.399 175.017 175.328 0.147 0.000 1.160 119 H CA -0.546 55.594 56.048 0.154 0.000 1.218 119 H CB 2.536 32.487 29.762 0.315 0.000 1.566 119 H HN 0.429 nan 8.280 nan 0.000 0.522 120 R N 0.661 121.255 120.500 0.157 0.000 2.393 120 R HA 0.187 4.527 4.340 0.000 0.000 0.310 120 R C 0.746 176.960 176.300 -0.144 0.000 0.968 120 R CA -0.208 55.794 56.100 -0.165 0.000 0.867 120 R CB 1.127 31.055 30.300 -0.619 0.000 1.124 120 R HN 0.600 nan 8.270 nan 0.000 0.450 121 S N 2.730 118.372 115.700 -0.096 0.000 2.404 121 S HA -0.073 4.397 4.470 0.000 0.000 0.223 121 S C 0.624 175.195 174.600 -0.049 0.000 1.040 121 S CA 0.542 58.706 58.200 -0.060 0.000 0.957 121 S CB 0.050 63.197 63.200 -0.089 0.000 0.826 121 S HN 0.789 nan 8.310 nan 0.000 0.491 122 N N 2.292 120.902 118.700 -0.149 0.000 3.298 122 N HA 0.175 4.915 4.740 0.000 0.000 0.292 122 N C -1.020 174.383 175.510 -0.177 0.000 1.271 122 N CA -0.127 52.840 53.050 -0.139 0.000 1.184 122 N CB 0.427 38.812 38.487 -0.170 0.000 1.452 122 N HN 0.149 nan 8.380 nan 0.000 0.534 123 V N 1.404 121.206 119.914 -0.185 0.000 2.540 123 V HA 0.389 4.509 4.120 0.000 0.000 0.302 123 V C 0.015 175.840 176.094 -0.448 0.000 1.035 123 V CA -0.873 61.184 62.300 -0.404 0.000 0.873 123 V CB 1.952 33.363 31.823 -0.687 0.000 0.992 123 V HN 0.534 nan 8.190 nan 0.000 0.428 124 M N 4.952 124.328 119.600 -0.373 0.000 2.157 124 M HA 0.517 4.997 4.480 0.000 0.000 0.354 124 M C -1.684 174.541 176.300 -0.124 0.000 1.170 124 M CA -0.121 55.098 55.300 -0.136 0.000 1.060 124 M CB 0.940 33.536 32.600 -0.006 0.000 1.615 124 M HN 0.685 nan 8.290 nan 0.000 0.460 125 W N 5.664 127.176 121.300 0.354 0.000 2.570 125 W HA 0.627 5.287 4.660 0.000 0.000 0.337 125 W C -0.970 175.839 176.519 0.483 0.000 1.067 125 W CA -0.179 57.360 57.345 0.323 0.000 1.229 125 W CB 0.797 30.364 29.460 0.178 0.000 1.355 125 W HN 0.636 nan 8.180 nan 0.000 0.555 126 Y N -1.156 119.481 120.300 0.561 0.000 2.750 126 Y HA 0.699 5.249 4.550 0.000 0.000 0.335 126 Y C -1.709 174.397 175.900 0.344 0.000 1.252 126 Y CA -2.171 56.173 58.100 0.406 0.000 1.064 126 Y CB 0.789 39.495 38.460 0.410 0.000 1.321 126 Y HN 0.220 nan 8.280 nan 0.000 0.451 127 L N 2.818 124.285 121.223 0.406 0.000 2.280 127 L HA 0.438 4.778 4.340 0.000 0.000 0.287 127 L C -1.845 175.204 176.870 0.299 0.000 1.023 127 L CA -1.963 53.025 54.840 0.247 0.000 0.819 127 L CB 1.700 43.847 42.059 0.147 0.000 1.212 127 L HN 0.486 nan 8.230 nan 0.000 0.420 128 P HA -0.193 nan 4.420 nan 0.000 0.218 128 P C 1.329 178.697 177.300 0.113 0.000 1.148 128 P CA 1.242 64.511 63.100 0.282 0.000 0.822 128 P CB 0.404 32.185 31.700 0.135 0.000 0.784 129 A N 1.111 123.948 122.820 0.029 0.000 1.858 129 A HA -0.195 4.126 4.320 0.000 0.000 0.216 129 A C 2.250 179.741 177.584 -0.155 0.000 1.190 129 A CA 1.756 53.759 52.037 -0.056 0.000 0.617 129 A CB -1.017 17.941 19.000 -0.070 0.000 0.827 129 A HN 0.062 nan 8.150 nan 0.000 0.443 130 K N -0.023 120.234 120.400 -0.238 0.000 2.009 130 K HA -0.107 4.213 4.320 0.000 0.000 0.210 130 K C 2.010 178.329 176.600 -0.468 0.000 1.049 130 K CA 1.339 57.242 56.287 -0.640 0.000 0.929 130 K CB -0.830 31.200 32.500 -0.785 0.000 0.714 130 K HN 0.528 nan 8.250 nan 0.000 0.440 131 L N 1.101 122.295 121.223 -0.048 0.000 2.013 131 L HA -0.243 4.097 4.340 0.000 0.000 0.212 131 L C 2.576 179.490 176.870 0.073 0.000 1.073 131 L CA 1.700 56.621 54.840 0.135 0.000 0.753 131 L CB -0.619 41.496 42.059 0.092 0.000 0.890 131 L HN 0.254 nan 8.230 nan 0.000 0.432 132 K N 0.002 120.405 120.400 0.006 0.000 2.026 132 K HA -0.135 4.185 4.320 0.000 0.000 0.208 132 K C 2.132 178.718 176.600 -0.023 0.000 1.048 132 K CA 1.383 57.668 56.287 -0.003 0.000 0.929 132 K CB -0.522 31.970 32.500 -0.014 0.000 0.713 132 K HN 0.405 nan 8.250 nan 0.000 0.439 133 G N 0.325 109.060 108.800 -0.110 0.000 2.442 133 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 133 G HA3 -0.218 3.742 3.960 0.000 0.000 0.219 133 G C 0.842 175.705 174.900 -0.062 0.000 1.141 133 G CA 0.490 45.499 45.100 -0.151 0.000 0.763 133 G HN 0.303 nan 8.290 nan 0.000 0.554 134 W N 0.353 121.642 121.300 -0.019 0.000 3.047 134 W HA 0.289 4.949 4.660 -0.000 0.000 0.250 134 W C 1.757 178.263 176.519 -0.020 0.000 1.314 134 W CA 0.416 57.746 57.345 -0.026 0.000 1.540 134 W CB -0.530 28.903 29.460 -0.045 0.000 1.127 134 W HN 0.408 nan 8.180 nan 0.000 0.679 135 G N 0.915 109.815 108.800 0.166 0.000 2.160 135 G HA2 -0.187 3.773 3.960 0.000 0.000 0.244 135 G HA3 -0.187 3.773 3.960 0.000 0.000 0.244 135 G C -0.257 174.697 174.900 0.090 0.000 1.022 135 G CA 0.255 45.413 45.100 0.098 0.000 0.741 135 G HN 0.352 nan 8.290 nan 0.000 0.508 136 V N -3.085 116.900 119.914 0.118 0.000 2.735 136 V HA 0.854 4.974 4.120 0.000 0.000 0.310 136 V C -0.173 175.960 176.094 0.065 0.000 1.061 136 V CA -1.870 60.486 62.300 0.094 0.000 0.913 136 V CB 1.971 33.870 31.823 0.127 0.000 1.005 136 V HN 0.147 nan 8.190 nan 0.000 0.428 137 N N 3.070 121.782 118.700 0.021 0.000 2.495 137 N HA 0.546 5.286 4.740 0.000 0.000 0.280 137 N C -2.843 172.626 175.510 -0.069 0.000 1.168 137 N CA -1.824 51.208 53.050 -0.030 0.000 0.978 137 N CB 0.767 39.229 38.487 -0.041 0.000 1.191 137 N HN 0.537 nan 8.380 nan 0.000 0.497 138 P HA 0.086 nan 4.420 nan 0.000 0.258 138 P C -2.300 174.853 177.300 -0.243 0.000 1.187 138 P CA -0.516 62.397 63.100 -0.312 0.000 0.767 138 P CB -0.548 30.881 31.700 -0.451 0.000 0.770 139 P HA 0.133 nan 4.420 nan 0.000 0.268 139 P C 0.538 177.672 177.300 -0.278 0.000 1.204 139 P CA 0.113 63.059 63.100 -0.258 0.000 0.768 139 P CB 1.155 32.696 31.700 -0.266 0.000 0.842 140 R N 0.529 120.897 120.500 -0.219 0.000 2.265 140 R HA 0.110 4.450 4.340 0.000 0.000 0.194 140 R C 0.879 177.019 176.300 -0.266 0.000 0.931 140 R CA 0.673 56.641 56.100 -0.220 0.000 1.032 140 R CB 0.286 30.502 30.300 -0.141 0.000 0.980 140 R HN 0.634 nan 8.270 nan 0.000 0.497 141 T N -4.682 109.721 114.554 -0.252 0.000 2.907 141 T HA 0.207 4.557 4.350 0.000 0.000 0.290 141 T C 0.341 174.882 174.700 -0.266 0.000 1.066 141 T CA -0.905 61.048 62.100 -0.245 0.000 1.012 141 T CB 1.168 69.987 68.868 -0.081 0.000 1.184 141 T HN 0.159 nan 8.240 nan 0.000 0.522 142 W N 0.279 121.562 121.300 -0.029 0.000 2.436 142 W HA 0.047 4.707 4.660 0.000 0.000 0.284 142 W C 1.804 178.369 176.519 0.077 0.000 1.225 142 W CA 0.503 57.844 57.345 -0.006 0.000 1.271 142 W CB -0.135 29.285 29.460 -0.067 0.000 1.114 142 W HN 0.729 nan 8.180 nan 0.000 0.559 143 D N 0.481 121.021 120.400 0.233 0.000 2.104 143 D HA -0.183 4.457 4.640 0.000 0.000 0.194 143 D C 1.765 178.137 176.300 0.119 0.000 0.994 143 D CA 1.559 55.653 54.000 0.156 0.000 0.830 143 D CB -0.420 40.437 40.800 0.095 0.000 0.959 143 D HN 0.171 nan 8.370 nan 0.000 0.452 144 K N -0.366 120.073 120.400 0.065 0.000 2.097 144 K HA -0.106 4.214 4.320 0.000 0.000 0.206 144 K C 2.073 178.688 176.600 0.025 0.000 1.049 144 K CA 0.466 56.763 56.287 0.017 0.000 0.933 144 K CB -0.262 32.215 32.500 -0.038 0.000 0.717 144 K HN 0.095 nan 8.250 nan 0.000 0.442 145 F N 1.745 121.638 119.950 -0.094 0.000 2.095 145 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 145 F C 1.731 177.560 175.800 0.048 0.000 1.104 145 F CA 1.416 59.362 58.000 -0.091 0.000 1.232 145 F CB -0.123 38.836 39.000 -0.069 0.000 0.987 145 F HN -0.114 nan 8.300 nan 0.000 0.475 146 L N -0.124 121.288 121.223 0.315 0.000 2.046 146 L HA -0.198 4.142 4.340 0.000 0.000 0.208 146 L C 2.815 179.711 176.870 0.044 0.000 1.077 146 L CA 1.210 56.171 54.840 0.202 0.000 0.747 146 L CB -1.197 41.001 42.059 0.231 0.000 0.896 146 L HN 0.249 nan 8.230 nan 0.000 0.432 147 A N -0.563 122.279 122.820 0.037 0.000 1.902 147 A HA -0.198 4.122 4.320 0.000 0.000 0.217 147 A C 2.372 179.934 177.584 -0.036 0.000 1.181 147 A CA 2.355 54.394 52.037 0.003 0.000 0.623 147 A CB -0.934 18.073 19.000 0.012 0.000 0.818 147 A HN 0.386 nan 8.150 nan 0.000 0.443 148 T N -0.920 113.594 114.554 -0.067 0.000 2.821 148 T HA -0.158 4.192 4.350 0.000 0.000 0.267 148 T C 1.880 176.510 174.700 -0.117 0.000 1.046 148 T CA 1.464 63.518 62.100 -0.077 0.000 1.139 148 T CB -0.621 68.207 68.868 -0.067 0.000 0.871 148 T HN 0.569 nan 8.240 nan 0.000 0.454 149 C N 1.484 120.671 119.300 -0.189 0.000 2.425 149 C HA -0.046 4.414 4.460 0.000 0.000 0.277 149 C C 2.948 177.863 174.990 -0.125 0.000 1.280 149 C CA 0.368 59.273 59.018 -0.189 0.000 1.744 149 C CB -0.919 26.681 27.740 -0.233 0.000 1.989 149 C HN 0.508 nan 8.230 nan 0.000 0.491 150 Q N 0.450 120.202 119.800 -0.079 0.000 2.050 150 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 150 Q C 2.254 178.211 176.000 -0.072 0.000 0.980 150 Q CA 2.036 57.805 55.803 -0.057 0.000 0.840 150 Q CB -1.214 27.509 28.738 -0.026 0.000 0.898 150 Q HN 0.656 nan 8.270 nan 0.000 0.424 151 T N 2.108 116.618 114.554 -0.073 0.000 2.665 151 T HA -0.135 4.215 4.350 0.000 0.000 0.268 151 T C 2.112 176.733 174.700 -0.132 0.000 1.035 151 T CA 1.157 63.212 62.100 -0.076 0.000 1.151 151 T CB -0.359 68.476 68.868 -0.054 0.000 0.862 151 T HN 0.162 nan 8.240 nan 0.000 0.438 152 L N 0.343 121.444 121.223 -0.203 0.000 2.083 152 L HA -0.104 4.236 4.340 0.000 0.000 0.209 152 L C 2.708 179.400 176.870 -0.297 0.000 1.083 152 L CA 1.372 55.992 54.840 -0.367 0.000 0.752 152 L CB -0.447 41.306 42.059 -0.511 0.000 0.899 152 L HN 0.219 nan 8.230 nan 0.000 0.433 153 K N -0.247 120.036 120.400 -0.194 0.000 2.057 153 K HA -0.225 4.095 4.320 0.000 0.000 0.207 153 K C 2.141 178.681 176.600 -0.101 0.000 1.049 153 K CA 1.423 57.630 56.287 -0.133 0.000 0.931 153 K CB -0.149 32.299 32.500 -0.087 0.000 0.714 153 K HN 0.382 nan 8.250 nan 0.000 0.440 154 Q N 0.618 120.366 119.800 -0.087 0.000 2.226 154 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 154 Q C 1.221 177.187 176.000 -0.055 0.000 0.975 154 Q CA 1.242 57.011 55.803 -0.058 0.000 0.866 154 Q CB 0.109 28.820 28.738 -0.044 0.000 0.915 154 Q HN 0.200 nan 8.270 nan 0.000 0.440 155 K N -0.897 119.450 120.400 -0.088 0.000 2.458 155 K HA 0.111 4.431 4.320 0.000 0.000 0.194 155 K C 0.633 177.197 176.600 -0.060 0.000 1.024 155 K CA 0.541 56.789 56.287 -0.063 0.000 1.108 155 K CB 0.735 33.184 32.500 -0.085 0.000 0.846 155 K HN 0.322 nan 8.250 nan 0.000 0.518 156 G N 1.767 110.520 108.800 -0.079 0.000 2.141 156 G HA2 -0.227 3.733 3.960 0.000 0.000 0.231 156 G HA3 -0.227 3.733 3.960 0.000 0.000 0.231 156 G C -0.319 174.533 174.900 -0.079 0.000 0.984 156 G CA -0.388 44.680 45.100 -0.053 0.000 0.660 156 G HN 0.224 nan 8.290 nan 0.000 0.525 157 L N 1.385 122.501 121.223 -0.178 0.000 2.282 157 L HA 0.599 4.939 4.340 0.000 0.000 0.287 157 L C 1.429 178.205 176.870 -0.156 0.000 1.075 157 L CA 0.311 55.024 54.840 -0.213 0.000 0.839 157 L CB 0.783 42.554 42.059 -0.480 0.000 1.219 157 L HN 0.330 nan 8.230 nan 0.000 0.434 158 E N 3.800 123.949 120.200 -0.084 0.000 2.077 158 E HA -0.061 4.289 4.350 0.000 0.000 0.193 158 E C 0.169 176.742 176.600 -0.046 0.000 0.989 158 E CA 1.073 57.441 56.400 -0.053 0.000 0.800 158 E CB 0.247 29.931 29.700 -0.026 0.000 0.746 158 E HN 0.717 nan 8.360 nan 0.000 0.452 159 A N 0.696 123.492 122.820 -0.040 0.000 2.842 159 A HA 0.338 4.659 4.320 0.000 0.000 0.339 159 A C -2.260 175.313 177.584 -0.019 0.000 1.177 159 A CA -1.237 50.795 52.037 -0.009 0.000 0.797 159 A CB 0.770 19.782 19.000 0.019 0.000 1.094 159 A HN 0.066 nan 8.150 nan 0.000 0.474 160 P HA -0.053 nan 4.420 nan 0.000 0.222 160 P C 0.349 177.698 177.300 0.081 0.000 1.147 160 P CA 0.558 63.594 63.100 -0.106 0.000 0.790 160 P CB 0.138 31.728 31.700 -0.184 0.000 0.780 161 L N -0.150 121.196 121.223 0.204 0.000 2.264 161 L HA 0.590 4.930 4.340 0.000 0.000 0.289 161 L C -0.195 176.817 176.870 0.236 0.000 1.044 161 L CA -1.245 53.810 54.840 0.359 0.000 0.807 161 L CB 0.390 42.737 42.059 0.481 0.000 1.192 161 L HN -0.162 nan 8.230 nan 0.000 0.425 162 A N 5.365 128.332 122.820 0.246 0.000 2.363 162 A HA 0.633 4.953 4.320 0.000 0.000 0.270 162 A C -0.913 176.779 177.584 0.180 0.000 1.121 162 A CA -0.289 51.858 52.037 0.184 0.000 0.800 162 A CB 0.470 19.580 19.000 0.183 0.000 1.052 162 A HN 0.743 nan 8.150 nan 0.000 0.493 163 L N 1.674 122.971 121.223 0.124 0.000 2.466 163 L HA 0.777 5.117 4.340 0.000 0.000 0.258 163 L C 0.359 177.258 176.870 0.048 0.000 0.973 163 L CA 0.423 55.321 54.840 0.097 0.000 0.826 163 L CB 2.013 44.132 42.059 0.101 0.000 1.372 163 L HN 0.899 nan 8.230 nan 0.000 0.409 164 G N 1.149 109.949 108.800 -0.001 0.000 3.135 164 G HA2 0.440 4.400 3.960 0.000 0.000 0.159 164 G HA3 0.440 4.400 3.960 0.000 0.000 0.159 164 G C -0.741 174.121 174.900 -0.063 0.000 1.244 164 G CA -0.096 44.981 45.100 -0.038 0.000 0.965 164 G HN 0.779 nan 8.290 nan 0.000 0.599 165 E N 0.032 120.171 120.200 -0.102 0.000 2.435 165 E HA -0.020 4.330 4.350 0.000 0.000 0.256 165 E C 1.082 177.630 176.600 -0.087 0.000 1.245 165 E CA -0.069 56.293 56.400 -0.063 0.000 0.989 165 E CB 0.524 30.220 29.700 -0.008 0.000 0.983 165 E HN 0.438 nan 8.360 nan 0.000 0.480 166 N N 1.372 120.087 118.700 0.026 0.000 2.049 166 N HA -0.244 4.496 4.740 0.000 0.000 0.198 166 N C 1.659 177.250 175.510 0.135 0.000 1.030 166 N CA 2.490 55.593 53.050 0.089 0.000 0.870 166 N CB -0.414 38.139 38.487 0.110 0.000 1.045 166 N HN 0.881 nan 8.380 nan 0.000 0.434 167 W N 1.477 122.857 121.300 0.134 0.000 2.392 167 W HA -0.090 4.570 4.660 0.000 0.000 0.279 167 W C 1.783 178.456 176.519 0.256 0.000 1.225 167 W CA 1.608 59.046 57.345 0.155 0.000 1.233 167 W CB -1.293 28.221 29.460 0.090 0.000 1.122 167 W HN 0.118 nan 8.180 nan 0.000 0.561 168 T N -0.448 113.728 114.554 -0.629 0.000 2.951 168 T HA -0.181 4.169 4.350 0.000 0.000 0.268 168 T C 1.711 176.457 174.700 0.076 0.000 1.073 168 T CA 1.655 63.471 62.100 -0.474 0.000 1.134 168 T CB -0.501 68.019 68.868 -0.578 0.000 0.884 168 T HN 0.341 nan 8.240 nan 0.000 0.479 169 Q N 0.689 120.575 119.800 0.144 0.000 2.123 169 Q HA -0.023 4.317 4.340 0.000 0.000 0.199 169 Q C 2.698 178.960 176.000 0.437 0.000 0.966 169 Q CA 1.275 57.282 55.803 0.341 0.000 0.845 169 Q CB -0.205 28.730 28.738 0.328 0.000 0.907 169 Q HN 0.660 nan 8.270 nan 0.000 0.439 170 Q N -0.289 119.731 119.800 0.366 0.000 2.084 170 Q HA -0.231 4.110 4.340 0.000 0.000 0.202 170 Q C 1.857 178.136 176.000 0.465 0.000 0.978 170 Q CA 1.531 57.578 55.803 0.407 0.000 0.844 170 Q CB -0.206 28.792 28.738 0.433 0.000 0.898 170 Q HN 0.502 nan 8.270 nan 0.000 0.426 171 H N 0.528 119.836 119.070 0.396 0.000 2.290 171 H HA -0.187 4.369 4.556 0.000 0.000 0.298 171 H C 2.009 177.521 175.328 0.308 0.000 1.087 171 H CA 1.746 58.041 56.048 0.412 0.000 1.291 171 H CB -0.090 29.968 29.762 0.493 0.000 1.369 171 H HN 0.176 nan 8.280 nan 0.000 0.492 172 L N -0.320 121.191 121.223 0.480 0.000 2.042 172 L HA -0.176 4.164 4.340 0.000 0.000 0.210 172 L C 2.213 179.233 176.870 0.250 0.000 1.076 172 L CA 2.154 57.220 54.840 0.376 0.000 0.749 172 L CB -0.981 41.328 42.059 0.415 0.000 0.893 172 L HN 0.534 nan 8.230 nan 0.000 0.432 173 W N 1.238 122.538 121.300 0.000 0.000 2.338 173 W HA -0.264 4.396 4.660 0.000 0.000 0.304 173 W C 2.485 178.840 176.519 -0.273 0.000 1.212 173 W CA 2.388 59.442 57.345 -0.485 0.000 1.264 173 W CB -0.137 28.751 29.460 -0.954 0.000 1.142 173 W HN 0.540 nan 8.180 nan 0.000 0.512 174 E N -0.966 119.274 120.200 0.066 0.000 2.150 174 E HA -0.162 4.188 4.350 0.000 0.000 0.193 174 E C 2.047 178.364 176.600 -0.472 0.000 0.985 174 E CA 1.589 57.887 56.400 -0.170 0.000 0.814 174 E CB -0.782 28.963 29.700 0.076 0.000 0.752 174 E HN 0.112 nan 8.360 nan 0.000 0.466 175 S N 0.553 116.097 115.700 -0.261 0.000 2.368 175 S HA -0.098 4.372 4.470 0.000 0.000 0.224 175 S C 2.072 176.591 174.600 -0.136 0.000 1.029 175 S CA 1.147 59.250 58.200 -0.162 0.000 0.988 175 S CB -0.117 63.116 63.200 0.056 0.000 0.838 175 S HN 0.194 nan 8.310 nan 0.000 0.462 176 V N 2.122 121.851 119.914 -0.308 0.000 2.295 176 V HA -0.205 3.915 4.120 0.000 0.000 0.246 176 V C 2.658 178.418 176.094 -0.557 0.000 1.049 176 V CA 1.716 63.684 62.300 -0.554 0.000 1.024 176 V CB -1.325 30.023 31.823 -0.791 0.000 0.648 176 V HN 0.528 nan 8.190 nan 0.000 0.447 177 A N 0.077 122.373 122.820 -0.873 0.000 1.892 177 A HA -0.267 4.053 4.320 0.000 0.000 0.218 177 A C 2.207 179.588 177.584 -0.338 0.000 1.188 177 A CA 2.413 54.011 52.037 -0.732 0.000 0.631 177 A CB -0.729 17.647 19.000 -1.040 0.000 0.822 177 A HN 0.470 nan 8.150 nan 0.000 0.447 178 L N -0.494 120.462 121.223 -0.445 0.000 2.079 178 L HA -0.081 4.259 4.340 0.000 0.000 0.210 178 L C 2.624 179.405 176.870 -0.148 0.000 1.081 178 L CA 2.222 56.851 54.840 -0.352 0.000 0.752 178 L CB -0.678 41.038 42.059 -0.572 0.000 0.896 178 L HN 0.359 nan 8.230 nan 0.000 0.433 179 A N -1.432 121.335 122.820 -0.087 0.000 1.872 179 A HA -0.079 4.241 4.320 0.000 0.000 0.214 179 A C 2.225 179.822 177.584 0.022 0.000 1.187 179 A CA 1.664 53.719 52.037 0.031 0.000 0.614 179 A CB -0.963 18.196 19.000 0.264 0.000 0.826 179 A HN 0.263 nan 8.150 nan 0.000 0.442 180 V N -0.021 119.874 119.914 -0.031 0.000 2.343 180 V HA -0.212 3.908 4.120 0.000 0.000 0.247 180 V C 2.473 178.554 176.094 -0.023 0.000 1.051 180 V CA 1.950 64.230 62.300 -0.035 0.000 1.036 180 V CB -0.606 31.156 31.823 -0.103 0.000 0.654 180 V HN 0.538 nan 8.190 nan 0.000 0.451 181 L N -0.768 120.438 121.223 -0.029 0.000 2.249 181 L HA 0.400 4.740 4.340 0.000 0.000 0.207 181 L C 1.209 178.093 176.870 0.023 0.000 1.090 181 L CA 0.772 55.615 54.840 0.004 0.000 0.802 181 L CB -0.505 41.576 42.059 0.036 0.000 0.947 181 L HN 0.555 nan 8.230 nan 0.000 0.453 182 G N 0.086 108.899 108.800 0.022 0.000 2.733 182 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 182 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 182 G C -2.203 172.746 174.900 0.082 0.000 1.373 182 G CA -0.326 44.791 45.100 0.029 0.000 0.838 182 G HN 0.020 nan 8.290 nan 0.000 0.588 183 P HA -0.003 nan 4.420 nan 0.000 0.221 183 P C 0.987 178.398 177.300 0.184 0.000 1.150 183 P CA 1.581 64.771 63.100 0.151 0.000 0.800 183 P CB 0.159 31.917 31.700 0.096 0.000 0.787 184 D N 0.283 120.744 120.400 0.102 0.000 2.097 184 D HA -0.134 4.506 4.640 0.000 0.000 0.197 184 D C 1.648 177.973 176.300 0.042 0.000 0.984 184 D CA 1.165 55.205 54.000 0.066 0.000 0.826 184 D CB -0.721 40.097 40.800 0.030 0.000 0.973 184 D HN 0.086 nan 8.370 nan 0.000 0.460 185 D N -0.259 120.161 120.400 0.033 0.000 2.183 185 D HA -0.111 4.529 4.640 0.000 0.000 0.203 185 D C 1.823 178.101 176.300 -0.037 0.000 0.969 185 D CA 0.234 54.216 54.000 -0.029 0.000 0.842 185 D CB -0.263 40.518 40.800 -0.032 0.000 0.957 185 D HN 0.374 nan 8.370 nan 0.000 0.484 186 W N 2.007 123.253 121.300 -0.091 0.000 2.333 186 W HA -0.232 4.428 4.660 0.000 0.000 0.316 186 W C 1.425 177.936 176.519 -0.013 0.000 1.215 186 W CA 1.027 58.343 57.345 -0.049 0.000 1.278 186 W CB -0.336 29.150 29.460 0.043 0.000 1.154 186 W HN -0.071 nan 8.180 nan 0.000 0.486 187 N N 1.038 119.774 118.700 0.060 0.000 2.137 187 N HA -0.209 4.531 4.740 0.000 0.000 0.190 187 N C 1.148 176.550 175.510 -0.181 0.000 1.017 187 N CA 1.788 54.837 53.050 -0.001 0.000 0.859 187 N CB -1.087 37.459 38.487 0.100 0.000 1.002 187 N HN 0.242 nan 8.380 nan 0.000 0.428 188 N N 0.779 119.344 118.700 -0.225 0.000 2.381 188 N HA -0.006 4.734 4.740 0.000 0.000 0.182 188 N C 1.750 176.961 175.510 -0.498 0.000 1.025 188 N CA 0.207 53.093 53.050 -0.273 0.000 0.888 188 N CB -0.195 38.173 38.487 -0.198 0.000 0.965 188 N HN 0.325 nan 8.380 nan 0.000 0.438 189 L N -1.158 119.550 121.223 -0.858 0.000 2.079 189 L HA -0.134 4.206 4.340 0.000 0.000 0.210 189 L C 1.586 177.693 176.870 -1.272 0.000 1.081 189 L CA 1.282 55.288 54.840 -1.391 0.000 0.752 189 L CB -0.377 40.378 42.059 -2.174 0.000 0.896 189 L HN 0.270 nan 8.230 nan 0.000 0.433 190 W N -0.072 120.968 121.300 -0.435 0.000 3.003 190 W HA -0.012 4.648 4.660 0.000 0.000 0.257 190 W C 1.795 178.178 176.519 -0.227 0.000 1.308 190 W CA -0.012 57.121 57.345 -0.354 0.000 1.529 190 W CB -0.241 28.985 29.460 -0.389 0.000 1.115 190 W HN 0.315 nan 8.180 nan 0.000 0.659 191 N N -0.198 118.447 118.700 -0.092 0.000 2.205 191 N HA 0.224 4.964 4.740 0.000 0.000 0.201 191 N C 1.344 176.798 175.510 -0.094 0.000 1.128 191 N CA 0.524 53.539 53.050 -0.058 0.000 0.867 191 N CB 0.160 38.623 38.487 -0.040 0.000 0.996 191 N HN 0.036 nan 8.380 nan 0.000 0.503 192 G N 0.436 109.136 108.800 -0.167 0.000 2.159 192 G HA2 -0.367 3.593 3.960 0.000 0.000 0.256 192 G HA3 -0.367 3.593 3.960 0.000 0.000 0.256 192 G C 0.872 175.683 174.900 -0.149 0.000 0.977 192 G CA 0.615 45.625 45.100 -0.150 0.000 0.652 192 G HN 0.454 nan 8.290 nan 0.000 0.531 193 K N -1.203 119.098 120.400 -0.165 0.000 2.228 193 K HA 0.262 4.582 4.320 0.000 0.000 0.202 193 K C 0.820 177.324 176.600 -0.160 0.000 1.051 193 K CA 0.614 56.822 56.287 -0.132 0.000 0.960 193 K CB 0.251 32.686 32.500 -0.108 0.000 0.743 193 K HN 0.356 nan 8.250 nan 0.000 0.458 194 L N 1.716 122.790 121.223 -0.249 0.000 2.313 194 L HA 0.224 4.564 4.340 0.000 0.000 0.283 194 L C -0.889 175.774 176.870 -0.344 0.000 1.013 194 L CA -0.441 54.239 54.840 -0.266 0.000 0.816 194 L CB 1.192 43.069 42.059 -0.304 0.000 1.236 194 L HN -0.167 nan 8.230 nan 0.000 0.419 195 K N 4.251 124.524 120.400 -0.212 0.000 2.237 195 K HA 0.157 4.477 4.320 0.000 0.000 0.270 195 K C 0.569 177.066 176.600 -0.173 0.000 1.015 195 K CA -0.167 56.030 56.287 -0.150 0.000 0.949 195 K CB 0.740 33.230 32.500 -0.017 0.000 0.976 195 K HN 0.530 nan 8.250 nan 0.000 0.472 196 F N 0.680 120.623 119.950 -0.013 0.000 2.333 196 F HA -0.164 4.363 4.527 0.000 0.000 0.300 196 F C 2.403 178.274 175.800 0.119 0.000 1.083 196 F CA 1.227 59.280 58.000 0.088 0.000 1.395 196 F CB -0.329 38.769 39.000 0.163 0.000 1.056 196 F HN 0.598 nan 8.300 nan 0.000 0.529 197 T N -3.500 111.187 114.554 0.221 0.000 3.129 197 T HA -0.049 4.301 4.350 0.000 0.000 0.251 197 T C 0.631 175.387 174.700 0.093 0.000 1.117 197 T CA -0.208 61.979 62.100 0.145 0.000 1.034 197 T CB -0.394 68.535 68.868 0.101 0.000 0.968 197 T HN 0.097 nan 8.240 nan 0.000 0.526 198 D N 2.700 123.136 120.400 0.060 0.000 2.455 198 D HA 0.057 4.697 4.640 0.000 0.000 0.241 198 D C -1.507 174.827 176.300 0.056 0.000 1.138 198 D CA -1.666 52.352 54.000 0.030 0.000 0.877 198 D CB 1.640 42.429 40.800 -0.019 0.000 1.187 198 D HN -0.011 nan 8.370 nan 0.000 0.451 199 P HA -0.189 nan 4.420 nan 0.000 0.217 199 P C 1.071 178.409 177.300 0.064 0.000 1.151 199 P CA 1.616 64.753 63.100 0.061 0.000 0.849 199 P CB 0.236 31.962 31.700 0.044 0.000 0.787 200 K N -0.657 119.766 120.400 0.037 0.000 2.032 200 K HA -0.127 4.193 4.320 0.000 0.000 0.209 200 K C 2.149 178.775 176.600 0.042 0.000 1.048 200 K CA 1.754 58.056 56.287 0.026 0.000 0.927 200 K CB -0.701 31.797 32.500 -0.003 0.000 0.712 200 K HN 0.085 nan 8.250 nan 0.000 0.441 201 A N 0.949 123.803 122.820 0.057 0.000 1.968 201 A HA -0.059 4.261 4.320 0.000 0.000 0.217 201 A C 2.355 180.105 177.584 0.276 0.000 1.169 201 A CA 0.933 53.041 52.037 0.119 0.000 0.638 201 A CB -0.433 18.618 19.000 0.084 0.000 0.812 201 A HN 0.061 nan 8.150 nan 0.000 0.446 202 V N 0.157 120.228 119.914 0.263 0.000 2.332 202 V HA -0.268 3.852 4.120 0.000 0.000 0.248 202 V C 2.595 178.871 176.094 0.302 0.000 1.055 202 V CA 2.254 64.753 62.300 0.331 0.000 1.038 202 V CB -0.807 31.139 31.823 0.205 0.000 0.651 202 V HN 0.637 nan 8.190 nan 0.000 0.450 203 R N 0.051 120.658 120.500 0.178 0.000 2.127 203 R HA -0.192 4.148 4.340 0.000 0.000 0.238 203 R C 2.307 178.656 176.300 0.083 0.000 1.134 203 R CA 1.502 57.676 56.100 0.124 0.000 0.975 203 R CB -0.409 29.933 30.300 0.071 0.000 0.865 203 R HN 0.524 nan 8.270 nan 0.000 0.447 204 A N 0.025 122.860 122.820 0.025 0.000 1.940 204 A HA -0.198 4.122 4.320 0.000 0.000 0.219 204 A C 1.710 179.206 177.584 -0.148 0.000 1.176 204 A CA 1.437 53.360 52.037 -0.190 0.000 0.631 204 A CB -0.899 17.870 19.000 -0.385 0.000 0.814 204 A HN 0.572 nan 8.150 nan 0.000 0.446 205 W N 0.008 121.385 121.300 0.127 0.000 2.436 205 W HA -0.008 4.652 4.660 0.000 0.000 0.284 205 W C 2.321 178.930 176.519 0.151 0.000 1.225 205 W CA 1.006 58.412 57.345 0.103 0.000 1.271 205 W CB -0.093 29.366 29.460 -0.001 0.000 1.114 205 W HN 0.423 nan 8.180 nan 0.000 0.559 206 E N 0.051 120.454 120.200 0.339 0.000 2.072 206 E HA -0.187 4.163 4.350 0.000 0.000 0.191 206 E C 2.098 178.807 176.600 0.182 0.000 0.985 206 E CA 1.622 58.181 56.400 0.264 0.000 0.801 206 E CB -0.540 29.272 29.700 0.186 0.000 0.750 206 E HN 0.102 nan 8.360 nan 0.000 0.452 207 V N 1.248 121.214 119.914 0.086 0.000 2.295 207 V HA -0.241 3.879 4.120 0.000 0.000 0.246 207 V C 2.070 178.128 176.094 -0.060 0.000 1.049 207 V CA 1.724 64.009 62.300 -0.024 0.000 1.024 207 V CB -0.545 31.188 31.823 -0.149 0.000 0.648 207 V HN 0.223 nan 8.190 nan 0.000 0.447 208 F N 2.195 122.024 119.950 -0.203 0.000 2.126 208 F HA -0.096 4.431 4.527 -0.000 0.000 0.299 208 F C 2.181 178.034 175.800 0.089 0.000 1.096 208 F CA 1.647 59.541 58.000 -0.176 0.000 1.255 208 F CB -0.900 38.000 39.000 -0.168 0.000 0.997 208 F HN 0.141 nan 8.300 nan 0.000 0.479 209 G N 0.220 109.186 108.800 0.276 0.000 2.440 209 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 209 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 209 G C 1.828 176.778 174.900 0.085 0.000 1.154 209 G CA 0.933 46.221 45.100 0.314 0.000 0.767 209 G HN 0.364 nan 8.290 nan 0.000 0.552 210 R N -0.347 120.194 120.500 0.069 0.000 2.075 210 R HA 0.020 4.360 4.340 0.000 0.000 0.232 210 R C 2.673 178.997 176.300 0.040 0.000 1.126 210 R CA 1.056 57.189 56.100 0.055 0.000 0.963 210 R CB -0.535 29.810 30.300 0.075 0.000 0.858 210 R HN 0.292 nan 8.270 nan 0.000 0.435 211 V N 1.235 121.124 119.914 -0.043 0.000 2.343 211 V HA -0.216 3.904 4.120 0.000 0.000 0.247 211 V C 2.153 178.229 176.094 -0.030 0.000 1.051 211 V CA 1.348 63.633 62.300 -0.025 0.000 1.036 211 V CB -0.432 31.173 31.823 -0.363 0.000 0.654 211 V HN 0.197 nan 8.190 nan 0.000 0.451 212 L N 0.339 121.440 121.223 -0.203 0.000 2.127 212 L HA -0.209 4.131 4.340 0.000 0.000 0.211 212 L C 1.932 178.780 176.870 -0.036 0.000 1.089 212 L CA 2.003 56.737 54.840 -0.176 0.000 0.757 212 L CB -0.997 40.906 42.059 -0.260 0.000 0.899 212 L HN 0.367 nan 8.230 nan 0.000 0.434 213 D N -2.492 117.905 120.400 -0.005 0.000 2.371 213 D HA -0.107 4.533 4.640 0.000 0.000 0.221 213 D C 1.789 178.116 176.300 0.046 0.000 0.986 213 D CA 0.537 54.548 54.000 0.019 0.000 0.899 213 D CB 0.066 40.881 40.800 0.025 0.000 0.902 213 D HN 0.379 nan 8.370 nan 0.000 0.530 214 C N 0.134 119.488 119.300 0.091 0.000 2.791 214 C HA 0.596 5.056 4.460 0.000 0.000 0.270 214 C C 1.150 176.209 174.990 0.116 0.000 1.257 214 C CA -0.655 58.434 59.018 0.118 0.000 1.699 214 C CB -1.254 26.625 27.740 0.231 0.000 1.904 214 C HN 0.309 nan 8.230 nan 0.000 0.603 215 A N 2.410 125.286 122.820 0.094 0.000 2.282 215 A HA 0.532 4.852 4.320 0.000 0.000 0.319 215 A C 0.152 177.771 177.584 0.058 0.000 1.121 215 A CA -0.456 51.638 52.037 0.094 0.000 0.836 215 A CB 0.344 19.393 19.000 0.082 0.000 1.146 215 A HN 0.596 nan 8.150 nan 0.000 0.494 216 N N 1.439 120.175 118.700 0.060 0.000 2.412 216 N HA -0.029 4.711 4.740 0.000 0.000 0.254 216 N C -0.012 175.517 175.510 0.030 0.000 1.232 216 N CA -0.105 52.970 53.050 0.040 0.000 0.880 216 N CB 0.814 39.327 38.487 0.044 0.000 1.076 216 N HN 0.533 nan 8.380 nan 0.000 0.458 217 K N 0.789 121.201 120.400 0.020 0.000 2.366 217 K HA -0.081 4.239 4.320 0.000 0.000 0.198 217 K C 0.492 177.099 176.600 0.013 0.000 1.044 217 K CA 0.725 57.020 56.287 0.013 0.000 0.973 217 K CB -0.112 32.392 32.500 0.006 0.000 0.767 217 K HN 0.738 nan 8.250 nan 0.000 0.475 218 D N -0.045 120.364 120.400 0.016 0.000 2.325 218 D HA 0.073 4.714 4.640 0.000 0.000 0.225 218 D C 1.330 177.640 176.300 0.016 0.000 1.096 218 D CA 0.148 54.157 54.000 0.014 0.000 0.844 218 D CB 0.093 40.900 40.800 0.012 0.000 0.925 218 D HN -0.067 nan 8.370 nan 0.000 0.513 219 A N 1.255 124.088 122.820 0.022 0.000 1.948 219 A HA -0.086 4.234 4.320 0.000 0.000 0.220 219 A C 2.420 180.013 177.584 0.015 0.000 1.177 219 A CA 2.132 54.183 52.037 0.023 0.000 0.636 219 A CB -0.907 18.114 19.000 0.035 0.000 0.815 219 A HN 0.394 nan 8.150 nan 0.000 0.449 220 A N -0.989 121.842 122.820 0.018 0.000 1.978 220 A HA 0.109 4.429 4.320 0.000 0.000 0.220 220 A C 2.081 179.675 177.584 0.016 0.000 1.170 220 A CA 1.825 53.873 52.037 0.019 0.000 0.636 220 A CB -0.896 18.116 19.000 0.020 0.000 0.810 220 A HN 0.936 nan 8.150 nan 0.000 0.448 221 G N -1.233 107.575 108.800 0.012 0.000 3.337 221 G HA2 0.460 4.420 3.960 0.000 0.000 0.246 221 G HA3 0.460 4.420 3.960 0.000 0.000 0.246 221 G C 0.151 175.055 174.900 0.007 0.000 1.131 221 G CA -0.350 44.757 45.100 0.012 0.000 0.773 221 G HN 0.325 nan 8.290 nan 0.000 0.544 222 L N 1.897 123.121 121.223 0.002 0.000 2.309 222 L HA 0.434 4.774 4.340 0.000 0.000 0.282 222 L C 0.821 177.683 176.870 -0.014 0.000 1.036 222 L CA -0.858 53.976 54.840 -0.010 0.000 0.806 222 L CB 1.831 43.885 42.059 -0.009 0.000 1.220 222 L HN 0.154 nan 8.230 nan 0.000 0.429 223 S N 1.522 117.203 115.700 -0.032 0.000 2.600 223 S HA 0.043 4.513 4.470 0.000 0.000 0.265 223 S C 1.182 175.754 174.600 -0.045 0.000 1.325 223 S CA -0.704 57.478 58.200 -0.031 0.000 1.002 223 S CB 0.598 63.714 63.200 -0.140 0.000 0.921 223 S HN 0.888 nan 8.310 nan 0.000 0.554 224 W N 1.113 122.416 121.300 0.006 0.000 2.342 224 W HA -0.196 4.464 4.660 0.000 0.000 0.297 224 W C 1.206 177.681 176.519 -0.073 0.000 1.213 224 W CA 1.246 58.575 57.345 -0.027 0.000 1.251 224 W CB -1.227 28.334 29.460 0.169 0.000 1.136 224 W HN 0.670 nan 8.180 nan 0.000 0.526 225 Q N 1.091 120.274 119.800 -1.028 0.000 2.084 225 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 225 Q C 2.464 178.178 176.000 -0.477 0.000 0.978 225 Q CA 2.559 57.625 55.803 -1.228 0.000 0.844 225 Q CB -0.728 27.067 28.738 -1.572 0.000 0.898 225 Q HN 0.470 nan 8.270 nan 0.000 0.426 226 Q N -0.356 119.266 119.800 -0.297 0.000 2.119 226 Q HA -0.096 4.244 4.340 0.000 0.000 0.201 226 Q C 2.089 178.069 176.000 -0.033 0.000 0.972 226 Q CA 1.165 56.900 55.803 -0.114 0.000 0.847 226 Q CB -0.190 28.497 28.738 -0.084 0.000 0.903 226 Q HN 0.443 nan 8.270 nan 0.000 0.433 227 A N 0.306 123.119 122.820 -0.011 0.000 1.898 227 A HA -0.120 4.200 4.320 0.000 0.000 0.216 227 A C 2.313 179.955 177.584 0.096 0.000 1.181 227 A CA 1.128 53.200 52.037 0.058 0.000 0.620 227 A CB -0.623 18.426 19.000 0.081 0.000 0.819 227 A HN 0.202 nan 8.150 nan 0.000 0.442 228 V N 0.803 120.774 119.914 0.094 0.000 2.332 228 V HA -0.268 3.852 4.120 0.000 0.000 0.248 228 V C 2.148 178.310 176.094 0.113 0.000 1.055 228 V CA 2.343 64.712 62.300 0.115 0.000 1.038 228 V CB -0.862 31.040 31.823 0.133 0.000 0.651 228 V HN 0.497 nan 8.190 nan 0.000 0.450 229 D N -0.144 120.316 120.400 0.100 0.000 2.158 229 D HA -0.171 4.469 4.640 0.000 0.000 0.197 229 D C 2.389 178.736 176.300 0.078 0.000 0.995 229 D CA 1.202 55.258 54.000 0.094 0.000 0.846 229 D CB -0.284 40.556 40.800 0.067 0.000 0.941 229 D HN 0.403 nan 8.370 nan 0.000 0.456 230 R N 0.177 120.725 120.500 0.079 0.000 2.096 230 R HA -0.084 4.256 4.340 0.000 0.000 0.235 230 R C 2.357 178.723 176.300 0.109 0.000 1.127 230 R CA 0.724 56.875 56.100 0.085 0.000 0.968 230 R CB -0.297 30.053 30.300 0.084 0.000 0.861 230 R HN 0.123 nan 8.270 nan 0.000 0.440 231 V N 0.330 120.323 119.914 0.132 0.000 2.307 231 V HA -0.202 3.918 4.120 0.000 0.000 0.245 231 V C 2.348 178.524 176.094 0.136 0.000 1.045 231 V CA 1.570 63.967 62.300 0.162 0.000 1.024 231 V CB -0.382 31.570 31.823 0.214 0.000 0.651 231 V HN 0.110 nan 8.190 nan 0.000 0.449 232 V N -0.250 119.725 119.914 0.103 0.000 2.392 232 V HA -0.333 3.787 4.120 0.000 0.000 0.249 232 V C 2.342 178.475 176.094 0.064 0.000 1.059 232 V CA 2.078 64.421 62.300 0.072 0.000 1.051 232 V CB -0.781 31.061 31.823 0.033 0.000 0.658 232 V HN 0.604 nan 8.190 nan 0.000 0.455 233 Q N -0.502 119.340 119.800 0.069 0.000 2.451 233 Q HA 0.186 4.526 4.340 0.000 0.000 0.206 233 Q C 1.745 177.792 176.000 0.079 0.000 0.947 233 Q CA 0.657 56.496 55.803 0.061 0.000 0.937 233 Q CB 0.259 29.031 28.738 0.056 0.000 1.025 233 Q HN 0.761 nan 8.270 nan 0.000 0.511 234 G N 1.191 110.058 108.800 0.111 0.000 2.148 234 G HA2 -0.331 3.629 3.960 0.000 0.000 0.254 234 G HA3 -0.331 3.629 3.960 0.000 0.000 0.254 234 G C 0.674 175.698 174.900 0.206 0.000 0.981 234 G CA 0.587 45.790 45.100 0.173 0.000 0.670 234 G HN 0.319 nan 8.290 nan 0.000 0.528 235 K N -0.002 120.479 120.400 0.135 0.000 2.487 235 K HA 0.527 4.847 4.320 0.000 0.000 0.192 235 K C 0.972 177.620 176.600 0.079 0.000 1.027 235 K CA 0.857 57.203 56.287 0.099 0.000 1.054 235 K CB 0.356 32.899 32.500 0.071 0.000 0.824 235 K HN 0.799 nan 8.250 nan 0.000 0.510 236 A N -0.543 122.340 122.820 0.106 0.000 2.594 236 A HA 0.658 4.978 4.320 0.000 0.000 0.295 236 A C -0.114 177.513 177.584 0.071 0.000 1.071 236 A CA -0.440 51.635 52.037 0.063 0.000 0.685 236 A CB 1.394 20.459 19.000 0.109 0.000 1.285 236 A HN 0.010 nan 8.150 nan 0.000 0.405 237 A N 0.287 123.022 122.820 -0.142 0.000 1.956 237 A HA 0.643 4.963 4.320 0.000 0.000 0.212 237 A C 0.080 177.404 177.584 -0.434 0.000 1.188 237 A CA 1.002 52.802 52.037 -0.396 0.000 0.675 237 A CB -0.080 18.238 19.000 -1.137 0.000 0.845 237 A HN 0.810 nan 8.150 nan 0.000 0.455 238 F N -1.133 118.990 119.950 0.289 0.000 2.599 238 F HA 0.518 5.045 4.527 0.000 0.000 0.311 238 F C -0.209 175.806 175.800 0.357 0.000 1.076 238 F CA -1.429 56.790 58.000 0.366 0.000 0.937 238 F CB 1.472 40.722 39.000 0.416 0.000 1.282 238 F HN 0.119 nan 8.300 nan 0.000 0.460 239 N N 1.673 120.731 118.700 0.597 0.000 2.287 239 N HA 0.444 5.184 4.740 0.000 0.000 0.289 239 N C -2.064 173.736 175.510 0.485 0.000 1.066 239 N CA -0.415 52.920 53.050 0.476 0.000 0.841 239 N CB 1.831 40.560 38.487 0.402 0.000 1.599 239 N HN 0.409 nan 8.380 nan 0.000 0.476 240 I N 3.502 124.299 120.570 0.378 0.000 2.307 240 I HA 0.436 4.606 4.170 0.000 0.000 0.289 240 I C -0.069 176.239 176.117 0.317 0.000 1.021 240 I CA -0.269 61.226 61.300 0.326 0.000 1.224 240 I CB 0.576 38.761 38.000 0.309 0.000 1.376 240 I HN 0.640 nan 8.210 nan 0.000 0.470 241 M N 4.750 124.536 119.600 0.310 0.000 2.603 241 M HA 0.613 5.093 4.480 0.000 0.000 0.275 241 M C -0.491 175.756 176.300 -0.088 0.000 1.226 241 M CA -0.352 54.937 55.300 -0.019 0.000 0.870 241 M CB 1.982 34.572 32.600 -0.016 0.000 1.716 241 M HN 0.510 nan 8.290 nan 0.000 0.482 242 G N 0.826 109.087 108.800 -0.899 0.000 2.636 242 G HA2 0.332 4.292 3.960 0.000 0.000 0.246 242 G HA3 0.332 4.292 3.960 0.000 0.000 0.246 242 G C -0.018 174.073 174.900 -1.347 0.000 1.216 242 G CA 0.064 44.263 45.100 -1.502 0.000 0.854 242 G HN 0.906 nan 8.290 nan 0.000 0.572 243 D N -1.232 118.782 120.400 -0.643 0.000 2.352 243 D HA -0.099 4.541 4.640 0.000 0.000 0.232 243 D C 1.616 177.789 176.300 -0.211 0.000 1.055 243 D CA 0.238 54.126 54.000 -0.186 0.000 0.891 243 D CB -0.479 40.405 40.800 0.139 0.000 0.897 243 D HN 0.720 nan 8.370 nan 0.000 0.529 244 W N 0.364 121.519 121.300 -0.241 0.000 2.387 244 W HA 0.138 4.798 4.660 0.000 0.000 0.272 244 W C 1.978 178.344 176.519 -0.255 0.000 1.224 244 W CA 0.677 57.867 57.345 -0.258 0.000 1.210 244 W CB -0.776 28.363 29.460 -0.536 0.000 1.125 244 W HN 0.051 nan 8.180 nan 0.000 0.572 245 A N 1.569 124.016 122.820 -0.620 0.000 1.930 245 A HA 0.078 4.398 4.320 0.000 0.000 0.217 245 A C 2.300 179.439 177.584 -0.743 0.000 1.175 245 A CA 2.346 54.057 52.037 -0.545 0.000 0.627 245 A CB -1.174 17.168 19.000 -1.097 0.000 0.815 245 A HN 0.400 nan 8.150 nan 0.000 0.443 246 A N -0.377 121.871 122.820 -0.954 0.000 1.898 246 A HA 0.145 4.465 4.320 0.000 0.000 0.216 246 A C 2.397 179.826 177.584 -0.258 0.000 1.181 246 A CA 1.842 53.452 52.037 -0.712 0.000 0.620 246 A CB -1.339 17.272 19.000 -0.650 0.000 0.819 246 A HN 0.688 nan 8.150 nan 0.000 0.442 247 G N -1.595 107.158 108.800 -0.079 0.000 2.418 247 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 247 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 247 G C 1.552 176.501 174.900 0.081 0.000 1.158 247 G CA 1.299 46.433 45.100 0.056 0.000 0.771 247 G HN 0.586 nan 8.290 nan 0.000 0.545 248 Y N 1.026 121.333 120.300 0.012 0.000 2.145 248 Y HA -0.049 4.501 4.550 0.000 0.000 0.286 248 Y C 2.811 178.652 175.900 -0.100 0.000 1.145 248 Y CA 1.786 59.902 58.100 0.026 0.000 1.148 248 Y CB -0.239 38.316 38.460 0.159 0.000 0.981 248 Y HN 0.153 nan 8.280 nan 0.000 0.507 249 M N -0.438 118.936 119.600 -0.378 0.000 2.229 249 M HA -0.158 4.322 4.480 0.000 0.000 0.264 249 M C 2.016 178.164 176.300 -0.253 0.000 1.063 249 M CA 2.166 57.145 55.300 -0.534 0.000 1.114 249 M CB -0.424 31.617 32.600 -0.932 0.000 1.387 249 M HN 0.523 nan 8.290 nan 0.000 0.420 250 T N -3.711 110.782 114.554 -0.101 0.000 2.904 250 T HA 0.011 4.361 4.350 0.000 0.000 0.243 250 T C 1.741 176.432 174.700 -0.015 0.000 1.024 250 T CA 1.345 63.469 62.100 0.041 0.000 1.158 250 T CB -0.695 68.251 68.868 0.129 0.000 0.867 250 T HN 0.150 nan 8.240 nan 0.000 0.429 251 T N 1.784 116.326 114.554 -0.020 0.000 2.821 251 T HA -0.004 4.346 4.350 0.000 0.000 0.267 251 T C 2.068 176.744 174.700 -0.040 0.000 1.046 251 T CA 1.771 63.864 62.100 -0.012 0.000 1.139 251 T CB -0.562 68.316 68.868 0.017 0.000 0.871 251 T HN 0.491 nan 8.240 nan 0.000 0.454 252 T N 1.528 116.021 114.554 -0.102 0.000 2.988 252 T HA 0.282 4.632 4.350 0.000 0.000 0.240 252 T C 1.789 176.370 174.700 -0.199 0.000 1.014 252 T CA 0.332 62.353 62.100 -0.131 0.000 1.155 252 T CB -0.120 68.681 68.868 -0.111 0.000 0.872 252 T HN 0.179 nan 8.240 nan 0.000 0.440 253 L N 0.719 121.738 121.223 -0.340 0.000 2.558 253 L HA 0.175 4.515 4.340 0.000 0.000 0.225 253 L C 0.347 177.137 176.870 -0.134 0.000 1.128 253 L CA 0.183 54.858 54.840 -0.274 0.000 0.868 253 L CB -0.245 41.572 42.059 -0.405 0.000 1.006 253 L HN 0.162 nan 8.230 nan 0.000 0.454 254 K N 0.532 120.876 120.400 -0.092 0.000 3.071 254 K HA -0.170 4.150 4.320 0.000 0.000 0.265 254 K C -0.223 176.390 176.600 0.022 0.000 1.060 254 K CA 0.751 57.025 56.287 -0.022 0.000 0.767 254 K CB -2.472 30.016 32.500 -0.019 0.000 1.241 254 K HN 0.349 nan 8.250 nan 0.000 0.486 255 L N 0.698 121.956 121.223 0.058 0.000 2.418 255 L HA 0.206 4.546 4.340 0.000 0.000 0.265 255 L C 0.953 177.970 176.870 0.245 0.000 1.143 255 L CA -0.403 54.539 54.840 0.170 0.000 0.809 255 L CB 0.547 42.767 42.059 0.270 0.000 1.124 255 L HN -0.047 nan 8.230 nan 0.000 0.456 256 K N 3.115 123.609 120.400 0.157 0.000 2.262 256 K HA 0.304 4.624 4.320 0.000 0.000 0.282 256 K C -2.379 174.161 176.600 -0.099 0.000 1.066 256 K CA -1.812 54.514 56.287 0.065 0.000 0.901 256 K CB 0.636 33.151 32.500 0.026 0.000 1.089 256 K HN 0.250 nan 8.250 nan 0.000 0.476 257 P HA -0.096 nan 4.420 nan 0.000 0.264 257 P C 0.805 177.993 177.300 -0.186 0.000 1.193 257 P CA 0.844 63.693 63.100 -0.419 0.000 0.763 257 P CB 0.788 32.507 31.700 0.032 0.000 0.810 258 G N 2.679 111.300 108.800 -0.299 0.000 2.299 258 G HA2 -0.310 3.650 3.960 0.000 0.000 0.237 258 G HA3 -0.310 3.650 3.960 0.000 0.000 0.237 258 G C 0.899 175.669 174.900 -0.217 0.000 1.027 258 G CA 0.758 45.695 45.100 -0.272 0.000 0.619 258 G HN 0.654 nan 8.290 nan 0.000 0.513 259 T N -3.072 111.383 114.554 -0.165 0.000 3.114 259 T HA 0.230 4.581 4.350 0.000 0.000 0.240 259 T C 1.553 176.225 174.700 -0.046 0.000 0.983 259 T CA 1.384 63.433 62.100 -0.085 0.000 1.151 259 T CB 0.077 68.916 68.868 -0.048 0.000 0.974 259 T HN 0.007 nan 8.240 nan 0.000 0.442 260 D N 1.508 121.894 120.400 -0.023 0.000 2.224 260 D HA 0.205 4.845 4.640 0.000 0.000 0.205 260 D C 0.431 176.860 176.300 0.215 0.000 0.965 260 D CA 0.839 54.895 54.000 0.094 0.000 0.852 260 D CB 0.007 40.905 40.800 0.162 0.000 0.947 260 D HN 0.635 nan 8.370 nan 0.000 0.494 261 F N -1.570 118.424 119.950 0.073 0.000 2.686 261 F HA 0.733 5.260 4.527 0.000 0.000 0.311 261 F C -1.327 174.505 175.800 0.054 0.000 1.128 261 F CA -1.516 56.530 58.000 0.076 0.000 0.946 261 F CB 1.135 40.219 39.000 0.140 0.000 1.336 261 F HN -0.171 nan 8.300 nan 0.000 0.457 262 A N 0.539 123.361 122.820 0.004 0.000 2.564 262 A HA 0.918 5.238 4.320 0.000 0.000 0.288 262 A C -2.307 175.172 177.584 -0.176 0.000 1.164 262 A CA -0.563 51.216 52.037 -0.430 0.000 0.712 262 A CB 1.249 19.743 19.000 -0.843 0.000 1.303 262 A HN 1.416 nan 8.150 nan 0.000 0.418 263 W N -2.047 119.109 121.300 -0.240 0.000 3.167 263 W HA 0.845 5.505 4.660 0.000 0.000 0.324 263 W C -0.545 175.959 176.519 -0.025 0.000 1.230 263 W CA -0.416 56.806 57.345 -0.204 0.000 1.184 263 W CB 1.220 30.492 29.460 -0.313 0.000 1.414 263 W HN 1.336 nan 8.180 nan 0.000 0.551 264 A N 1.815 124.709 122.820 0.123 0.000 2.593 264 A HA 0.913 5.233 4.320 0.000 0.000 0.290 264 A C -2.953 174.612 177.584 -0.031 0.000 1.126 264 A CA -1.960 50.118 52.037 0.068 0.000 0.695 264 A CB 1.046 20.090 19.000 0.073 0.000 1.290 264 A HN 0.415 nan 8.150 nan 0.000 0.414 265 P HA 0.179 nan 4.420 nan 0.000 0.268 265 P C -0.074 177.121 177.300 -0.175 0.000 1.208 265 P CA 0.173 63.203 63.100 -0.117 0.000 0.777 265 P CB 0.419 32.061 31.700 -0.097 0.000 0.875 266 S N 3.456 119.043 115.700 -0.188 0.000 2.558 266 S HA 0.043 4.513 4.470 0.000 0.000 0.291 266 S C -2.058 172.304 174.600 -0.395 0.000 1.306 266 S CA -0.391 57.670 58.200 -0.232 0.000 1.056 266 S CB -0.920 62.224 63.200 -0.093 0.000 0.836 266 S HN 0.369 nan 8.310 nan 0.000 0.504 267 P HA 0.056 nan 4.420 nan 0.000 0.261 267 P C 0.897 177.719 177.300 -0.796 0.000 1.173 267 P CA 1.228 63.733 63.100 -0.993 0.000 0.760 267 P CB 0.017 30.640 31.700 -1.794 0.000 0.783 268 G N 2.501 111.039 108.800 -0.435 0.000 2.162 268 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 268 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 268 G C 0.626 175.453 174.900 -0.122 0.000 0.976 268 G CA 0.663 45.641 45.100 -0.203 0.000 0.655 268 G HN 0.703 nan 8.290 nan 0.000 0.533 269 T N -2.686 111.780 114.554 -0.147 0.000 3.111 269 T HA 0.437 4.787 4.350 0.000 0.000 0.284 269 T C 0.643 175.293 174.700 -0.084 0.000 0.983 269 T CA 0.519 62.555 62.100 -0.107 0.000 0.900 269 T CB 0.462 69.256 68.868 -0.123 0.000 1.132 269 T HN 0.288 nan 8.240 nan 0.000 0.531 270 Q N 1.549 121.296 119.800 -0.089 0.000 2.549 270 Q HA 0.390 4.730 4.340 0.000 0.000 0.347 270 Q C 1.542 177.528 176.000 -0.024 0.000 1.081 270 Q CA 1.931 57.700 55.803 -0.055 0.000 1.093 270 Q CB -0.564 28.138 28.738 -0.060 0.000 1.067 270 Q HN 0.688 nan 8.270 nan 0.000 0.398 271 G N 0.727 109.529 108.800 0.004 0.000 2.179 271 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 271 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 271 G C -0.148 174.779 174.900 0.046 0.000 0.977 271 G CA -0.009 45.106 45.100 0.026 0.000 0.641 271 G HN 0.532 nan 8.290 nan 0.000 0.533 272 V N 0.593 120.532 119.914 0.042 0.000 2.448 272 V HA 0.641 4.761 4.120 0.000 0.000 0.295 272 V C -0.412 175.756 176.094 0.123 0.000 1.025 272 V CA -0.788 61.554 62.300 0.071 0.000 0.859 272 V CB 1.846 33.676 31.823 0.013 0.000 0.988 272 V HN 0.331 nan 8.190 nan 0.000 0.431 273 F N 5.934 125.910 119.950 0.044 0.000 2.332 273 F HA 0.547 5.074 4.527 -0.000 0.000 0.368 273 F C 0.284 176.145 175.800 0.102 0.000 1.110 273 F CA -0.669 57.390 58.000 0.099 0.000 1.087 273 F CB 1.117 40.240 39.000 0.204 0.000 1.235 273 F HN 0.519 nan 8.300 nan 0.000 0.470 274 M N 9.330 129.041 119.600 0.185 0.000 2.135 274 M HA 0.278 4.758 4.480 0.000 0.000 0.345 274 M C -0.846 175.619 176.300 0.276 0.000 1.340 274 M CA -0.675 54.717 55.300 0.154 0.000 1.162 274 M CB 0.392 32.941 32.600 -0.085 0.000 1.570 274 M HN 0.730 nan 8.290 nan 0.000 0.454 275 M N 5.932 125.793 119.600 0.435 0.000 2.573 275 M HA 0.843 5.323 4.480 0.000 0.000 0.309 275 M C -1.443 175.026 176.300 0.280 0.000 1.202 275 M CA -0.468 55.107 55.300 0.459 0.000 0.975 275 M CB 1.324 34.222 32.600 0.496 0.000 1.600 275 M HN 0.633 nan 8.290 nan 0.000 0.479 276 L N -1.390 119.985 121.223 0.254 0.000 2.600 276 L HA 0.978 5.318 4.340 0.000 0.000 0.257 276 L C -0.786 176.210 176.870 0.209 0.000 1.048 276 L CA -0.763 54.204 54.840 0.212 0.000 0.869 276 L CB 1.877 44.061 42.059 0.209 0.000 1.482 276 L HN 0.886 nan 8.230 nan 0.000 0.408 277 S N -0.278 115.555 115.700 0.221 0.000 2.677 277 S HA 0.481 4.951 4.470 0.000 0.000 0.283 277 S C -1.575 173.165 174.600 0.234 0.000 1.159 277 S CA -0.657 57.645 58.200 0.170 0.000 1.001 277 S CB 1.104 64.344 63.200 0.067 0.000 1.032 277 S HN 0.744 nan 8.310 nan 0.000 0.487 278 D N 3.129 123.659 120.400 0.218 0.000 2.351 278 D HA 0.426 5.066 4.640 0.000 0.000 0.251 278 D C 0.103 176.410 176.300 0.012 0.000 1.137 278 D CA 0.345 54.408 54.000 0.105 0.000 0.879 278 D CB 1.575 42.519 40.800 0.241 0.000 1.181 278 D HN 0.586 nan 8.370 nan 0.000 0.448 279 S N 1.071 116.682 115.700 -0.148 0.000 2.588 279 S HA 0.742 5.212 4.470 0.000 0.000 0.275 279 S C -1.148 173.256 174.600 -0.327 0.000 1.130 279 S CA -0.885 57.248 58.200 -0.112 0.000 0.855 279 S CB 1.311 64.484 63.200 -0.044 0.000 1.116 279 S HN 0.250 nan 8.310 nan 0.000 0.472 280 F N 0.266 120.219 119.950 0.005 0.000 2.540 280 F HA 0.780 5.308 4.527 0.000 0.000 0.317 280 F C 0.877 176.668 175.800 -0.016 0.000 1.104 280 F CA -0.180 57.823 58.000 0.005 0.000 0.913 280 F CB 2.523 41.637 39.000 0.190 0.000 1.170 280 F HN 1.048 nan 8.300 nan 0.000 0.450 281 G N 1.149 109.967 108.800 0.030 0.000 3.175 281 G HA2 0.636 4.596 3.960 0.000 0.000 0.255 281 G HA3 0.636 4.596 3.960 0.000 0.000 0.255 281 G C -2.153 172.766 174.900 0.031 0.000 1.352 281 G CA -0.778 44.345 45.100 0.039 0.000 1.037 281 G HN 0.487 nan 8.290 nan 0.000 0.556 282 L N 1.257 122.523 121.223 0.071 0.000 2.353 282 L HA 0.510 4.850 4.340 0.000 0.000 0.270 282 L C -2.403 174.519 176.870 0.087 0.000 1.003 282 L CA -2.099 52.792 54.840 0.085 0.000 0.862 282 L CB 1.713 43.848 42.059 0.126 0.000 1.221 282 L HN 0.125 nan 8.230 nan 0.000 0.430 283 P HA 0.099 nan 4.420 nan 0.000 0.268 283 P C -0.904 176.443 177.300 0.078 0.000 1.204 283 P CA -0.094 63.061 63.100 0.092 0.000 0.768 283 P CB 0.354 32.115 31.700 0.103 0.000 0.842 284 K N 2.037 122.490 120.400 0.087 0.000 2.485 284 K HA 0.255 4.575 4.320 0.000 0.000 0.277 284 K C 1.352 177.972 176.600 0.034 0.000 0.990 284 K CA 0.903 57.231 56.287 0.070 0.000 0.994 284 K CB -0.375 32.172 32.500 0.078 0.000 0.906 284 K HN 0.825 nan 8.250 nan 0.000 0.488 285 G N 1.006 109.824 108.800 0.029 0.000 2.179 285 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 285 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 285 G C 0.270 175.172 174.900 0.004 0.000 0.977 285 G CA 0.021 45.127 45.100 0.010 0.000 0.641 285 G HN 0.891 nan 8.290 nan 0.000 0.533 286 A N -0.051 122.778 122.820 0.014 0.000 2.567 286 A HA 0.471 4.791 4.320 0.000 0.000 0.240 286 A C 1.367 178.955 177.584 0.007 0.000 1.053 286 A CA 1.542 53.586 52.037 0.011 0.000 0.755 286 A CB 0.178 19.193 19.000 0.025 0.000 0.978 286 A HN 0.501 nan 8.150 nan 0.000 0.507 287 K N 1.104 121.503 120.400 -0.002 0.000 2.167 287 K HA -0.030 4.290 4.320 0.000 0.000 0.203 287 K C -0.076 176.526 176.600 0.002 0.000 1.052 287 K CA 0.975 57.261 56.287 -0.001 0.000 0.956 287 K CB 0.074 32.570 32.500 -0.007 0.000 0.735 287 K HN 0.724 nan 8.250 nan 0.000 0.451 288 N N 1.069 119.769 118.700 0.001 0.000 2.886 288 N HA 0.071 4.811 4.740 0.000 0.000 0.285 288 N C 0.154 175.671 175.510 0.011 0.000 1.706 288 N CA -0.024 53.028 53.050 0.004 0.000 0.904 288 N CB 1.216 39.701 38.487 -0.004 0.000 1.224 288 N HN 0.109 nan 8.380 nan 0.000 0.488 289 R N 0.673 121.184 120.500 0.018 0.000 2.073 289 R HA -0.171 4.169 4.340 0.000 0.000 0.234 289 R C 1.823 178.142 176.300 0.032 0.000 1.134 289 R CA 1.712 57.830 56.100 0.030 0.000 0.952 289 R CB 0.293 30.612 30.300 0.031 0.000 0.850 289 R HN 0.151 nan 8.270 nan 0.000 0.433 290 Q N 0.633 120.445 119.800 0.020 0.000 2.119 290 Q HA -0.100 4.241 4.340 0.000 0.000 0.201 290 Q C 1.557 177.555 176.000 -0.004 0.000 0.972 290 Q CA 1.792 57.600 55.803 0.010 0.000 0.847 290 Q CB -0.136 28.602 28.738 -0.000 0.000 0.903 290 Q HN 0.348 nan 8.270 nan 0.000 0.433 291 N N 0.038 118.740 118.700 0.003 0.000 2.120 291 N HA -0.136 4.604 4.740 0.000 0.000 0.188 291 N C 1.458 177.018 175.510 0.083 0.000 1.024 291 N CA 1.464 54.532 53.050 0.030 0.000 0.852 291 N CB -0.525 37.994 38.487 0.053 0.000 1.003 291 N HN 0.392 nan 8.380 nan 0.000 0.424 292 A N 1.295 124.149 122.820 0.057 0.000 1.877 292 A HA -0.060 4.260 4.320 0.000 0.000 0.216 292 A C 2.352 180.040 177.584 0.173 0.000 1.186 292 A CA 0.891 52.987 52.037 0.098 0.000 0.620 292 A CB -0.719 18.319 19.000 0.064 0.000 0.822 292 A HN 0.209 nan 8.150 nan 0.000 0.443 293 I N 0.282 120.924 120.570 0.120 0.000 2.194 293 I HA -0.311 3.859 4.170 0.000 0.000 0.246 293 I C 2.059 178.258 176.117 0.137 0.000 1.093 293 I CA 1.352 62.728 61.300 0.126 0.000 1.355 293 I CB -0.438 37.607 38.000 0.076 0.000 1.046 293 I HN 0.315 nan 8.210 nan 0.000 0.413 294 N N 0.092 118.847 118.700 0.091 0.000 2.188 294 N HA -0.220 4.520 4.740 0.000 0.000 0.184 294 N C 1.483 177.178 175.510 0.308 0.000 1.018 294 N CA 1.055 54.145 53.050 0.067 0.000 0.858 294 N CB -0.419 37.827 38.487 -0.402 0.000 0.989 294 N HN 0.561 nan 8.380 nan 0.000 0.426 295 W N 2.061 123.469 121.300 0.179 0.000 2.335 295 W HA -0.132 4.528 4.660 0.000 0.000 0.311 295 W C 1.473 178.035 176.519 0.072 0.000 1.213 295 W CA 0.864 58.251 57.345 0.070 0.000 1.274 295 W CB -0.350 28.972 29.460 -0.230 0.000 1.148 295 W HN 0.027 nan 8.180 nan 0.000 0.498 296 L N 0.570 121.865 121.223 0.119 0.000 2.079 296 L HA -0.245 4.095 4.340 0.000 0.000 0.210 296 L C 2.796 179.790 176.870 0.206 0.000 1.081 296 L CA 1.556 56.459 54.840 0.104 0.000 0.752 296 L CB -0.933 41.286 42.059 0.266 0.000 0.896 296 L HN -0.031 nan 8.230 nan 0.000 0.433 297 R N -0.282 120.374 120.500 0.259 0.000 2.073 297 R HA -0.189 4.151 4.340 0.000 0.000 0.234 297 R C 2.234 178.666 176.300 0.220 0.000 1.134 297 R CA 1.331 57.618 56.100 0.312 0.000 0.952 297 R CB -0.548 29.852 30.300 0.165 0.000 0.850 297 R HN 0.173 nan 8.270 nan 0.000 0.433 298 L N 0.782 122.056 121.223 0.085 0.000 1.989 298 L HA -0.151 4.190 4.340 0.000 0.000 0.211 298 L C 2.109 178.883 176.870 -0.159 0.000 1.071 298 L CA 1.630 56.457 54.840 -0.021 0.000 0.749 298 L CB -0.614 41.435 42.059 -0.017 0.000 0.890 298 L HN -0.076 nan 8.230 nan 0.000 0.431 299 V N 0.350 120.034 119.914 -0.383 0.000 2.380 299 V HA -0.274 3.846 4.120 0.000 0.000 0.251 299 V C 2.367 178.348 176.094 -0.189 0.000 1.063 299 V CA 1.969 64.039 62.300 -0.384 0.000 1.055 299 V CB -1.315 30.166 31.823 -0.569 0.000 0.657 299 V HN 0.694 nan 8.190 nan 0.000 0.455 300 G N -0.645 108.057 108.800 -0.164 0.000 2.985 300 G HA2 0.029 3.989 3.960 0.000 0.000 0.209 300 G HA3 0.029 3.989 3.960 0.000 0.000 0.209 300 G C 0.641 175.548 174.900 0.012 0.000 1.165 300 G CA 0.673 45.594 45.100 -0.300 0.000 0.776 300 G HN 0.631 nan 8.290 nan 0.000 0.541 301 S N -0.827 114.925 115.700 0.086 0.000 2.617 301 S HA 0.364 4.834 4.470 0.000 0.000 0.283 301 S C 1.099 175.713 174.600 0.023 0.000 1.189 301 S CA -0.511 57.742 58.200 0.090 0.000 1.036 301 S CB 2.356 65.606 63.200 0.083 0.000 1.014 301 S HN 0.154 nan 8.310 nan 0.000 0.522 302 K N 0.962 121.371 120.400 0.015 0.000 2.147 302 K HA -0.160 4.160 4.320 0.000 0.000 0.205 302 K C 1.948 178.555 176.600 0.012 0.000 1.049 302 K CA 1.607 57.901 56.287 0.011 0.000 0.936 302 K CB -0.220 32.284 32.500 0.007 0.000 0.722 302 K HN 0.848 nan 8.250 nan 0.000 0.446 303 E N -0.491 119.712 120.200 0.005 0.000 2.051 303 E HA -0.151 4.199 4.350 0.000 0.000 0.192 303 E C 1.909 178.501 176.600 -0.013 0.000 0.991 303 E CA 1.386 57.783 56.400 -0.005 0.000 0.799 303 E CB -0.246 29.449 29.700 -0.009 0.000 0.748 303 E HN 0.496 nan 8.360 nan 0.000 0.449 304 G N 0.428 109.216 108.800 -0.021 0.000 2.421 304 G HA2 -0.286 3.674 3.960 0.000 0.000 0.216 304 G HA3 -0.286 3.674 3.960 0.000 0.000 0.216 304 G C 1.478 176.353 174.900 -0.042 0.000 1.171 304 G CA 0.744 45.814 45.100 -0.050 0.000 0.775 304 G HN 0.277 nan 8.290 nan 0.000 0.543 305 Q N -0.131 119.659 119.800 -0.018 0.000 2.119 305 Q HA -0.069 4.271 4.340 0.000 0.000 0.201 305 Q C 1.844 177.871 176.000 0.045 0.000 0.972 305 Q CA 1.196 57.006 55.803 0.012 0.000 0.847 305 Q CB -0.009 28.752 28.738 0.038 0.000 0.903 305 Q HN 0.298 nan 8.270 nan 0.000 0.433 306 D N -0.609 119.816 120.400 0.041 0.000 2.347 306 D HA -0.027 4.613 4.640 0.000 0.000 0.213 306 D C 1.356 177.604 176.300 -0.085 0.000 0.985 306 D CA 0.707 54.722 54.000 0.025 0.000 0.879 306 D CB 0.209 41.044 40.800 0.058 0.000 0.919 306 D HN 0.126 nan 8.370 nan 0.000 0.526 307 T N -0.879 113.639 114.554 -0.059 0.000 2.852 307 T HA -0.080 4.270 4.350 0.000 0.000 0.256 307 T C 2.113 176.765 174.700 -0.080 0.000 1.038 307 T CA 1.384 63.442 62.100 -0.070 0.000 1.141 307 T CB -0.020 68.824 68.868 -0.040 0.000 0.869 307 T HN 0.197 nan 8.240 nan 0.000 0.439 308 S N 1.974 117.634 115.700 -0.066 0.000 2.404 308 S HA 0.020 4.490 4.470 0.000 0.000 0.223 308 S C 1.920 176.469 174.600 -0.084 0.000 1.040 308 S CA 0.297 58.452 58.200 -0.075 0.000 0.957 308 S CB -0.430 62.724 63.200 -0.076 0.000 0.826 308 S HN 0.282 nan 8.310 nan 0.000 0.491 309 N N 3.082 121.753 118.700 -0.048 0.000 2.166 309 N HA 0.032 4.772 4.740 0.000 0.000 0.186 309 N C -1.053 174.472 175.510 0.026 0.000 1.019 309 N CA 1.335 54.395 53.050 0.017 0.000 0.856 309 N CB -1.579 36.998 38.487 0.149 0.000 0.993 309 N HN 0.375 nan 8.380 nan 0.000 0.426 310 P HA -0.073 nan 4.420 nan 0.000 0.218 310 P C 1.554 178.816 177.300 -0.064 0.000 1.148 310 P CA 0.854 63.812 63.100 -0.236 0.000 0.822 310 P CB -0.014 31.411 31.700 -0.459 0.000 0.784 311 L N -1.262 119.924 121.223 -0.062 0.000 2.156 311 L HA -0.079 4.261 4.340 0.000 0.000 0.208 311 L C 2.377 179.252 176.870 0.007 0.000 1.095 311 L CA 1.205 56.029 54.840 -0.026 0.000 0.770 311 L CB -0.498 41.536 42.059 -0.042 0.000 0.914 311 L HN -0.108 nan 8.230 nan 0.000 0.439 312 K N 0.039 120.440 120.400 0.001 0.000 2.186 312 K HA 0.047 4.367 4.320 0.000 0.000 0.202 312 K C 1.395 178.091 176.600 0.159 0.000 1.052 312 K CA 1.119 57.427 56.287 0.034 0.000 0.965 312 K CB 0.147 32.611 32.500 -0.059 0.000 0.746 312 K HN 0.197 nan 8.250 nan 0.000 0.457 313 G N -0.180 108.711 108.800 0.151 0.000 2.217 313 G HA2 -0.310 3.650 3.960 0.000 0.000 0.246 313 G HA3 -0.310 3.650 3.960 0.000 0.000 0.246 313 G C 0.212 175.265 174.900 0.255 0.000 0.990 313 G CA 0.547 45.774 45.100 0.212 0.000 0.627 313 G HN 0.553 nan 8.290 nan 0.000 0.522 314 S N 0.676 116.407 115.700 0.051 0.000 2.608 314 S HA 0.683 5.153 4.470 0.000 0.000 0.261 314 S C 0.797 175.370 174.600 -0.045 0.000 1.314 314 S CA -0.133 57.908 58.200 -0.265 0.000 0.992 314 S CB 1.464 64.144 63.200 -0.867 0.000 0.935 314 S HN 1.437 nan 8.310 nan 0.000 0.564 315 I N -1.562 118.921 120.570 -0.144 0.000 2.783 315 I HA 0.787 4.957 4.170 0.000 0.000 0.312 315 I C 0.292 176.300 176.117 -0.182 0.000 0.988 315 I CA -1.513 59.657 61.300 -0.218 0.000 1.182 315 I CB 0.910 38.703 38.000 -0.346 0.000 1.368 315 I HN 0.750 nan 8.210 nan 0.000 0.511 316 A N 2.620 125.357 122.820 -0.138 0.000 2.407 316 A HA 0.557 4.877 4.320 0.000 0.000 0.248 316 A C 1.107 178.649 177.584 -0.070 0.000 1.082 316 A CA 0.200 52.216 52.037 -0.034 0.000 0.785 316 A CB 0.595 19.628 19.000 0.055 0.000 1.020 316 A HN 1.079 nan 8.150 nan 0.000 0.489 317 A N 2.182 125.017 122.820 0.025 0.000 1.970 317 A HA 0.069 4.389 4.320 0.000 0.000 0.216 317 A C 1.355 179.147 177.584 0.346 0.000 1.170 317 A CA 0.428 52.541 52.037 0.127 0.000 0.645 317 A CB -0.191 18.861 19.000 0.086 0.000 0.816 317 A HN 0.808 nan 8.150 nan 0.000 0.447 318 R N 0.059 120.714 120.500 0.257 0.000 2.522 318 R HA 0.195 4.535 4.340 0.000 0.000 0.284 318 R C 0.565 176.899 176.300 0.055 0.000 1.032 318 R CA -0.247 55.874 56.100 0.034 0.000 1.049 318 R CB 0.313 30.553 30.300 -0.099 0.000 0.956 318 R HN 0.392 nan 8.270 nan 0.000 0.422 319 L N 1.951 123.193 121.223 0.032 0.000 2.187 319 L HA -0.212 4.128 4.340 0.000 0.000 0.213 319 L C 1.535 178.414 176.870 0.016 0.000 1.100 319 L CA 1.251 56.119 54.840 0.045 0.000 0.765 319 L CB -0.359 41.717 42.059 0.028 0.000 0.904 319 L HN 0.720 nan 8.230 nan 0.000 0.437 320 D N -1.586 118.807 120.400 -0.011 0.000 2.325 320 D HA -0.041 4.599 4.640 0.000 0.000 0.225 320 D C 0.893 177.202 176.300 0.014 0.000 1.096 320 D CA -0.062 53.936 54.000 -0.004 0.000 0.844 320 D CB -0.125 40.664 40.800 -0.018 0.000 0.925 320 D HN -0.022 nan 8.370 nan 0.000 0.513 321 S N 0.491 116.204 115.700 0.023 0.000 2.558 321 S HA -0.034 4.436 4.470 0.000 0.000 0.293 321 S C -0.158 174.482 174.600 0.067 0.000 1.292 321 S CA -0.417 57.815 58.200 0.053 0.000 1.063 321 S CB 0.346 63.560 63.200 0.022 0.000 0.831 321 S HN 0.233 nan 8.310 nan 0.000 0.499 322 D N 5.358 125.833 120.400 0.126 0.000 2.365 322 D HA 0.292 4.932 4.640 0.000 0.000 0.237 322 D C -1.273 175.156 176.300 0.215 0.000 1.190 322 D CA -2.279 51.795 54.000 0.124 0.000 0.867 322 D CB 1.323 42.181 40.800 0.095 0.000 1.050 322 D HN 0.283 nan 8.370 nan 0.000 0.491 323 P HA -0.142 nan 4.420 nan 0.000 0.225 323 P C 1.079 178.515 177.300 0.227 0.000 1.148 323 P CA 0.682 63.877 63.100 0.158 0.000 0.779 323 P CB 0.076 31.807 31.700 0.051 0.000 0.780 324 S N -0.726 115.065 115.700 0.153 0.000 2.489 324 S HA -0.006 4.464 4.470 0.000 0.000 0.228 324 S C 1.652 176.301 174.600 0.081 0.000 0.995 324 S CA 0.434 58.694 58.200 0.101 0.000 0.934 324 S CB -0.677 62.559 63.200 0.060 0.000 0.771 324 S HN 0.010 nan 8.310 nan 0.000 0.522 325 K N 0.570 121.025 120.400 0.092 0.000 2.525 325 K HA 0.190 4.510 4.320 0.000 0.000 0.192 325 K C -0.735 175.677 176.600 -0.313 0.000 1.029 325 K CA 0.268 56.493 56.287 -0.104 0.000 1.029 325 K CB -0.222 32.169 32.500 -0.182 0.000 0.814 325 K HN 0.565 nan 8.250 nan 0.000 0.503 326 Y N 1.159 121.467 120.300 0.013 0.000 2.429 326 Y HA 0.114 4.664 4.550 0.000 0.000 0.342 326 Y C 0.772 176.690 175.900 0.029 0.000 1.004 326 Y CA -1.719 56.392 58.100 0.017 0.000 1.075 326 Y CB 1.060 39.522 38.460 0.003 0.000 1.214 326 Y HN 0.039 nan 8.280 nan 0.000 0.455 327 N N 0.816 119.618 118.700 0.170 0.000 2.328 327 N HA 0.211 4.951 4.740 0.000 0.000 0.277 327 N C 0.961 176.562 175.510 0.151 0.000 1.286 327 N CA 0.129 53.262 53.050 0.138 0.000 0.949 327 N CB 0.164 38.730 38.487 0.132 0.000 1.136 327 N HN 0.678 nan 8.380 nan 0.000 0.550 328 A N -1.466 121.451 122.820 0.161 0.000 2.019 328 A HA -0.159 4.161 4.320 0.000 0.000 0.219 328 A C 1.945 179.644 177.584 0.193 0.000 1.164 328 A CA 1.231 53.394 52.037 0.209 0.000 0.644 328 A CB -1.281 17.886 19.000 0.278 0.000 0.805 328 A HN 0.734 nan 8.150 nan 0.000 0.449 329 Y N 0.451 120.709 120.300 -0.071 0.000 2.153 329 Y HA 0.079 4.629 4.550 0.000 0.000 0.289 329 Y C 2.458 178.237 175.900 -0.203 0.000 1.127 329 Y CA 1.373 59.151 58.100 -0.537 0.000 1.131 329 Y CB -0.902 37.151 38.460 -0.678 0.000 0.995 329 Y HN 0.211 nan 8.280 nan 0.000 0.505 330 G N -0.038 108.677 108.800 -0.141 0.000 2.476 330 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 330 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 330 G C 1.453 176.223 174.900 -0.217 0.000 1.164 330 G CA 1.181 46.223 45.100 -0.096 0.000 0.768 330 G HN 0.533 nan 8.290 nan 0.000 0.560 331 Q N -0.009 119.747 119.800 -0.074 0.000 2.124 331 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 331 Q C 2.844 178.800 176.000 -0.074 0.000 0.977 331 Q CA 1.292 57.064 55.803 -0.052 0.000 0.850 331 Q CB -0.268 28.495 28.738 0.041 0.000 0.901 331 Q HN 0.503 nan 8.270 nan 0.000 0.429 332 S N 0.471 116.114 115.700 -0.095 0.000 2.359 332 S HA -0.210 4.260 4.470 0.000 0.000 0.224 332 S C 2.022 176.543 174.600 -0.131 0.000 1.035 332 S CA 1.281 59.454 58.200 -0.044 0.000 1.018 332 S CB -0.208 63.067 63.200 0.126 0.000 0.876 332 S HN 0.465 nan 8.310 nan 0.000 0.448 333 A N 1.313 123.898 122.820 -0.392 0.000 1.902 333 A HA -0.007 4.313 4.320 0.000 0.000 0.217 333 A C 2.268 179.892 177.584 0.067 0.000 1.181 333 A CA 1.659 53.574 52.037 -0.202 0.000 0.623 333 A CB -0.701 18.062 19.000 -0.395 0.000 0.818 333 A HN 0.638 nan 8.150 nan 0.000 0.443 334 M N -0.998 118.564 119.600 -0.063 0.000 2.106 334 M HA -0.216 4.264 4.480 0.000 0.000 0.259 334 M C 2.402 178.758 176.300 0.093 0.000 1.068 334 M CA 1.763 57.063 55.300 0.001 0.000 1.100 334 M CB -0.365 32.162 32.600 -0.122 0.000 1.351 334 M HN 0.361 nan 8.290 nan 0.000 0.404 335 R N 0.093 120.628 120.500 0.058 0.000 2.075 335 R HA -0.125 4.215 4.340 0.000 0.000 0.232 335 R C 1.741 178.105 176.300 0.107 0.000 1.126 335 R CA 1.411 57.550 56.100 0.066 0.000 0.963 335 R CB -0.413 29.917 30.300 0.050 0.000 0.858 335 R HN 0.352 nan 8.270 nan 0.000 0.435 336 D N -0.096 120.410 120.400 0.176 0.000 2.144 336 D HA -0.213 4.427 4.640 0.000 0.000 0.200 336 D C 1.426 177.914 176.300 0.314 0.000 0.978 336 D CA 0.677 54.833 54.000 0.260 0.000 0.833 336 D CB -0.372 40.626 40.800 0.330 0.000 0.961 336 D HN 0.352 nan 8.370 nan 0.000 0.470 337 W N 1.460 122.784 121.300 0.040 0.000 2.321 337 W HA -0.235 4.425 4.660 0.000 0.000 0.306 337 W C 1.334 177.724 176.519 -0.215 0.000 1.217 337 W CA 0.782 57.907 57.345 -0.366 0.000 1.257 337 W CB 0.169 29.399 29.460 -0.384 0.000 1.145 337 W HN -0.068 nan 8.180 nan 0.000 0.509 338 R N 0.040 120.463 120.500 -0.128 0.000 2.161 338 R HA -0.051 4.289 4.340 0.000 0.000 0.213 338 R C 2.275 178.480 176.300 -0.158 0.000 1.055 338 R CA 1.588 57.561 56.100 -0.212 0.000 0.996 338 R CB -1.027 29.220 30.300 -0.088 0.000 0.901 338 R HN 0.315 nan 8.270 nan 0.000 0.456 339 S N -0.733 114.923 115.700 -0.074 0.000 2.506 339 S HA 0.156 4.626 4.470 0.000 0.000 0.219 339 S C 0.580 175.161 174.600 -0.033 0.000 1.031 339 S CA -0.513 57.661 58.200 -0.043 0.000 0.911 339 S CB 0.198 63.398 63.200 -0.001 0.000 0.812 339 S HN 0.018 nan 8.310 nan 0.000 0.497 340 N N 2.343 121.036 118.700 -0.011 0.000 2.493 340 N HA 0.435 5.175 4.740 0.000 0.000 0.275 340 N C -0.300 175.201 175.510 -0.015 0.000 1.186 340 N CA -0.511 52.560 53.050 0.036 0.000 0.978 340 N CB 0.379 38.970 38.487 0.173 0.000 1.184 340 N HN 0.246 nan 8.380 nan 0.000 0.487 341 R N 1.337 121.848 120.500 0.018 0.000 2.522 341 R HA 0.125 4.466 4.340 0.000 0.000 0.284 341 R C -0.714 175.621 176.300 0.058 0.000 1.032 341 R CA 0.241 56.352 56.100 0.017 0.000 1.049 341 R CB -0.148 30.171 30.300 0.031 0.000 0.956 341 R HN 0.409 nan 8.270 nan 0.000 0.422 342 I N 6.767 127.351 120.570 0.025 0.000 2.354 342 I HA 0.287 4.457 4.170 0.000 0.000 0.292 342 I C 0.174 176.378 176.117 0.146 0.000 0.989 342 I CA -0.701 60.651 61.300 0.086 0.000 1.188 342 I CB 0.946 38.914 38.000 -0.054 0.000 1.342 342 I HN 0.569 nan 8.210 nan 0.000 0.457 343 V N 2.692 122.736 119.914 0.217 0.000 3.155 343 V HA 1.031 5.151 4.120 0.000 0.000 0.313 343 V C 0.073 176.345 176.094 0.297 0.000 1.162 343 V CA -0.723 61.738 62.300 0.269 0.000 1.048 343 V CB 1.582 33.598 31.823 0.321 0.000 1.092 343 V HN 0.774 nan 8.190 nan 0.000 0.447 344 G N 0.168 109.177 108.800 0.348 0.000 2.410 344 G HA2 0.520 4.480 3.960 0.000 0.000 0.330 344 G HA3 0.520 4.480 3.960 0.000 0.000 0.330 344 G C -0.357 174.739 174.900 0.327 0.000 1.142 344 G CA -0.157 45.107 45.100 0.274 0.000 0.902 344 G HN 1.167 nan 8.290 nan 0.000 0.491 345 S N 0.138 115.958 115.700 0.200 0.000 2.545 345 S HA 0.128 4.598 4.470 0.000 0.000 0.275 345 S C 1.365 175.995 174.600 0.050 0.000 1.299 345 S CA -0.716 57.592 58.200 0.181 0.000 1.048 345 S CB 0.943 64.255 63.200 0.187 0.000 0.938 345 S HN 0.620 nan 8.310 nan 0.000 0.496 346 L N 6.900 128.172 121.223 0.082 0.000 2.007 346 L HA 0.092 4.432 4.340 0.000 0.000 0.205 346 L C 2.050 178.837 176.870 -0.138 0.000 1.073 346 L CA 1.842 56.557 54.840 -0.208 0.000 0.744 346 L CB -0.915 41.072 42.059 -0.121 0.000 0.898 346 L HN 0.607 nan 8.230 nan 0.000 0.435 347 V N 0.145 120.024 119.914 -0.058 0.000 2.626 347 V HA -0.191 3.929 4.120 0.000 0.000 0.252 347 V C 1.367 177.137 176.094 -0.541 0.000 1.067 347 V CA 1.515 63.690 62.300 -0.209 0.000 1.081 347 V CB -1.068 30.699 31.823 -0.092 0.000 0.686 347 V HN 0.566 nan 8.190 nan 0.000 0.468 348 H N -0.631 118.381 119.070 -0.096 0.000 2.467 348 H HA 0.416 4.972 4.556 0.000 0.000 0.275 348 H C 1.609 176.552 175.328 -0.641 0.000 1.131 348 H CA 0.686 56.465 56.048 -0.448 0.000 0.989 348 H CB 0.482 30.096 29.762 -0.247 0.000 1.696 348 H HN 0.425 nan 8.280 nan 0.000 0.574 349 G N 0.673 109.334 108.800 -0.232 0.000 2.175 349 G HA2 -0.359 3.601 3.960 0.000 0.000 0.244 349 G HA3 -0.359 3.601 3.960 0.000 0.000 0.244 349 G C 1.332 176.202 174.900 -0.050 0.000 0.982 349 G CA 0.453 45.502 45.100 -0.084 0.000 0.641 349 G HN 0.565 nan 8.290 nan 0.000 0.527 350 A N -0.211 122.567 122.820 -0.071 0.000 1.898 350 A HA 0.442 4.762 4.320 0.000 0.000 0.214 350 A C 2.573 180.093 177.584 -0.107 0.000 1.183 350 A CA 3.137 55.156 52.037 -0.030 0.000 0.622 350 A CB -0.386 18.636 19.000 0.037 0.000 0.824 350 A HN 1.623 nan 8.150 nan 0.000 0.444 351 V N -4.940 114.815 119.914 -0.265 0.000 3.621 351 V HA 0.685 4.805 4.120 0.000 0.000 0.263 351 V C 0.703 176.510 176.094 -0.478 0.000 1.272 351 V CA 0.462 62.509 62.300 -0.422 0.000 1.080 351 V CB -0.448 30.886 31.823 -0.815 0.000 0.816 351 V HN 0.708 nan 8.190 nan 0.000 0.451 352 A N 1.553 124.089 122.820 -0.473 0.000 2.435 352 A HA 0.912 5.232 4.320 0.000 0.000 0.304 352 A C -3.080 174.413 177.584 -0.152 0.000 1.064 352 A CA -1.981 49.852 52.037 -0.339 0.000 0.727 352 A CB 1.428 20.116 19.000 -0.521 0.000 1.284 352 A HN 0.195 nan 8.150 nan 0.000 0.415 353 P HA 0.157 nan 4.420 nan 0.000 0.274 353 P C 0.252 177.542 177.300 -0.017 0.000 1.237 353 P CA 0.020 63.083 63.100 -0.062 0.000 0.793 353 P CB 0.783 32.447 31.700 -0.060 0.000 0.977 354 E N 0.642 120.803 120.200 -0.065 0.000 2.171 354 E HA -0.186 4.164 4.350 0.000 0.000 0.197 354 E C 1.982 178.557 176.600 -0.042 0.000 0.997 354 E CA 1.901 58.262 56.400 -0.065 0.000 0.810 354 E CB -0.294 29.330 29.700 -0.127 0.000 0.738 354 E HN 0.562 nan 8.360 nan 0.000 0.467 355 S N 0.773 116.450 115.700 -0.038 0.000 2.374 355 S HA -0.233 4.237 4.470 0.000 0.000 0.227 355 S C 1.890 176.512 174.600 0.037 0.000 1.037 355 S CA 1.145 59.334 58.200 -0.019 0.000 1.024 355 S CB -0.570 62.621 63.200 -0.014 0.000 0.861 355 S HN 0.358 nan 8.310 nan 0.000 0.456 356 F N 1.805 121.730 119.950 -0.042 0.000 2.149 356 F HA 0.215 4.742 4.527 0.000 0.000 0.294 356 F C 2.439 178.241 175.800 0.003 0.000 1.095 356 F CA 1.107 59.103 58.000 -0.006 0.000 1.276 356 F CB -0.308 38.708 39.000 0.027 0.000 1.023 356 F HN 0.084 nan 8.300 nan 0.000 0.480 357 M N 0.265 119.972 119.600 0.178 0.000 2.082 357 M HA -0.267 4.213 4.480 0.000 0.000 0.258 357 M C 2.432 178.724 176.300 -0.013 0.000 1.069 357 M CA 2.264 57.607 55.300 0.072 0.000 1.102 357 M CB -0.807 31.801 32.600 0.014 0.000 1.336 357 M HN 0.373 nan 8.290 nan 0.000 0.404 358 S N -0.100 115.571 115.700 -0.049 0.000 2.399 358 S HA -0.176 4.294 4.470 0.000 0.000 0.231 358 S C 1.738 176.282 174.600 -0.093 0.000 1.022 358 S CA 1.131 59.290 58.200 -0.069 0.000 0.983 358 S CB -0.510 62.644 63.200 -0.077 0.000 0.803 358 S HN 0.593 nan 8.310 nan 0.000 0.480 359 Q N -0.828 118.882 119.800 -0.150 0.000 2.398 359 Q HA 0.219 4.560 4.340 0.000 0.000 0.204 359 Q C 1.547 177.396 176.000 -0.251 0.000 0.932 359 Q CA 0.402 56.084 55.803 -0.201 0.000 0.916 359 Q CB -0.231 28.368 28.738 -0.231 0.000 1.024 359 Q HN 0.616 nan 8.270 nan 0.000 0.504 360 F N 1.255 120.942 119.950 -0.439 0.000 2.216 360 F HA -0.070 4.457 4.527 0.000 0.000 0.300 360 F C 2.037 177.720 175.800 -0.196 0.000 1.085 360 F CA 1.470 59.230 58.000 -0.399 0.000 1.326 360 F CB -0.353 38.423 39.000 -0.373 0.000 1.027 360 F HN 0.045 nan 8.300 nan 0.000 0.497 361 G N -1.074 107.680 108.800 -0.076 0.000 2.440 361 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 361 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 361 G C 1.688 176.508 174.900 -0.133 0.000 1.154 361 G CA 1.430 46.490 45.100 -0.066 0.000 0.767 361 G HN 0.360 nan 8.290 nan 0.000 0.552 362 T N 0.818 115.276 114.554 -0.160 0.000 2.777 362 T HA -0.094 4.256 4.350 0.000 0.000 0.266 362 T C 2.558 177.126 174.700 -0.220 0.000 1.040 362 T CA 1.130 63.135 62.100 -0.158 0.000 1.141 362 T CB -0.271 68.510 68.868 -0.146 0.000 0.868 362 T HN 0.065 nan 8.240 nan 0.000 0.444 363 V N 1.538 121.241 119.914 -0.351 0.000 2.287 363 V HA -0.227 3.893 4.120 0.000 0.000 0.248 363 V C 2.463 178.326 176.094 -0.385 0.000 1.053 363 V CA 1.992 64.018 62.300 -0.457 0.000 1.027 363 V CB -0.606 30.791 31.823 -0.710 0.000 0.646 363 V HN 0.399 nan 8.190 nan 0.000 0.447 364 M N 0.231 119.598 119.600 -0.388 0.000 2.077 364 M HA -0.142 4.338 4.480 0.000 0.000 0.261 364 M C 2.084 178.414 176.300 0.049 0.000 1.070 364 M CA 1.981 57.214 55.300 -0.111 0.000 1.125 364 M CB -0.831 31.702 32.600 -0.110 0.000 1.339 364 M HN 0.390 nan 8.290 nan 0.000 0.409 365 E N -0.167 120.020 120.200 -0.022 0.000 2.114 365 E HA -0.246 4.104 4.350 0.000 0.000 0.199 365 E C 1.904 178.496 176.600 -0.013 0.000 1.008 365 E CA 2.154 58.552 56.400 -0.003 0.000 0.810 365 E CB -0.320 29.361 29.700 -0.032 0.000 0.739 365 E HN 0.671 nan 8.360 nan 0.000 0.456 366 I N -0.095 120.444 120.570 -0.052 0.000 2.286 366 I HA -0.191 3.979 4.170 0.000 0.000 0.245 366 I C 2.250 178.342 176.117 -0.041 0.000 1.104 366 I CA 0.545 61.805 61.300 -0.067 0.000 1.397 366 I CB -0.307 37.627 38.000 -0.109 0.000 1.072 366 I HN 0.153 nan 8.210 nan 0.000 0.417 367 F N 2.006 121.868 119.950 -0.147 0.000 2.161 367 F HA -0.234 4.293 4.527 0.000 0.000 0.300 367 F C 2.178 177.999 175.800 0.036 0.000 1.089 367 F CA 1.664 59.615 58.000 -0.080 0.000 1.282 367 F CB -0.280 38.689 39.000 -0.052 0.000 1.010 367 F HN -0.097 nan 8.300 nan 0.000 0.485 368 L N -0.347 120.888 121.223 0.019 0.000 2.079 368 L HA -0.245 4.095 4.340 0.000 0.000 0.210 368 L C 2.570 179.347 176.870 -0.155 0.000 1.081 368 L CA 1.099 55.901 54.840 -0.064 0.000 0.752 368 L CB -0.820 41.272 42.059 0.056 0.000 0.896 368 L HN 0.199 nan 8.230 nan 0.000 0.433 369 Q N -0.462 119.265 119.800 -0.122 0.000 2.062 369 Q HA -0.114 4.226 4.340 0.000 0.000 0.196 369 Q C 2.440 178.346 176.000 -0.156 0.000 0.967 369 Q CA 2.140 57.874 55.803 -0.115 0.000 0.832 369 Q CB -0.753 27.938 28.738 -0.078 0.000 0.899 369 Q HN 0.608 nan 8.270 nan 0.000 0.442 370 T N -1.939 112.505 114.554 -0.184 0.000 2.985 370 T HA -0.004 4.346 4.350 0.000 0.000 0.266 370 T C 0.693 175.246 174.700 -0.244 0.000 1.076 370 T CA 0.139 62.135 62.100 -0.173 0.000 1.135 370 T CB 0.111 68.900 68.868 -0.132 0.000 0.890 370 T HN 0.114 nan 8.240 nan 0.000 0.480 371 R N 1.613 121.823 120.500 -0.483 0.000 3.610 371 R HA -0.131 4.209 4.340 0.000 0.000 0.274 371 R C -0.499 175.630 176.300 -0.286 0.000 1.123 371 R CA 0.680 56.364 56.100 -0.694 0.000 0.747 371 R CB -2.843 27.226 30.300 -0.385 0.000 1.149 371 R HN 0.616 nan 8.270 nan 0.000 0.471 372 N N 0.623 119.256 118.700 -0.112 0.000 2.501 372 N HA 0.241 4.981 4.740 0.000 0.000 0.245 372 N C -1.758 173.901 175.510 0.248 0.000 0.974 372 N CA -2.332 50.766 53.050 0.081 0.000 0.941 372 N CB 1.464 39.949 38.487 -0.003 0.000 1.122 372 N HN -0.160 nan 8.380 nan 0.000 0.507 373 P HA -0.120 nan 4.420 nan 0.000 0.216 373 P C 1.126 178.429 177.300 0.005 0.000 1.153 373 P CA 1.062 64.319 63.100 0.262 0.000 0.848 373 P CB 0.502 32.410 31.700 0.346 0.000 0.787 374 Q N 0.061 119.885 119.800 0.041 0.000 2.124 374 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 374 Q C 2.071 178.025 176.000 -0.076 0.000 0.977 374 Q CA 1.967 57.770 55.803 0.001 0.000 0.850 374 Q CB -1.291 27.463 28.738 0.027 0.000 0.901 374 Q HN 0.111 nan 8.270 nan 0.000 0.429 375 A N 0.010 122.778 122.820 -0.087 0.000 1.930 375 A HA -0.014 4.306 4.320 0.000 0.000 0.217 375 A C 2.238 179.669 177.584 -0.255 0.000 1.175 375 A CA 1.706 53.666 52.037 -0.128 0.000 0.627 375 A CB -1.015 17.929 19.000 -0.094 0.000 0.815 375 A HN 0.487 nan 8.150 nan 0.000 0.443 376 A N -0.131 122.430 122.820 -0.433 0.000 1.898 376 A HA 0.225 4.545 4.320 0.000 0.000 0.216 376 A C 2.501 179.570 177.584 -0.858 0.000 1.181 376 A CA 1.878 53.364 52.037 -0.917 0.000 0.620 376 A CB -0.997 16.909 19.000 -1.824 0.000 0.819 376 A HN 0.994 nan 8.150 nan 0.000 0.442 377 A N 0.608 123.048 122.820 -0.634 0.000 1.883 377 A HA -0.230 4.090 4.320 0.000 0.000 0.217 377 A C 1.914 179.485 177.584 -0.022 0.000 1.186 377 A CA 1.957 53.939 52.037 -0.092 0.000 0.624 377 A CB -0.712 18.348 19.000 0.100 0.000 0.822 377 A HN 0.537 nan 8.150 nan 0.000 0.444 378 N N 0.500 119.153 118.700 -0.078 0.000 2.104 378 N HA -0.115 4.625 4.740 0.000 0.000 0.190 378 N C 1.847 177.306 175.510 -0.085 0.000 1.024 378 N CA 1.672 54.694 53.050 -0.047 0.000 0.853 378 N CB -0.660 37.795 38.487 -0.055 0.000 1.008 378 N HN 0.489 nan 8.380 nan 0.000 0.424 379 A N 0.873 123.592 122.820 -0.168 0.000 1.902 379 A HA 0.049 4.369 4.320 0.000 0.000 0.217 379 A C 2.356 179.822 177.584 -0.197 0.000 1.181 379 A CA 1.926 53.848 52.037 -0.192 0.000 0.623 379 A CB -0.891 17.951 19.000 -0.263 0.000 0.818 379 A HN 0.314 nan 8.150 nan 0.000 0.443 380 A N -1.110 121.577 122.820 -0.223 0.000 1.902 380 A HA -0.192 4.128 4.320 0.000 0.000 0.217 380 A C 2.148 179.564 177.584 -0.280 0.000 1.181 380 A CA 2.118 53.977 52.037 -0.296 0.000 0.623 380 A CB -0.499 18.299 19.000 -0.336 0.000 0.818 380 A HN 0.513 nan 8.150 nan 0.000 0.443 381 Q N -0.140 119.620 119.800 -0.066 0.000 2.084 381 Q HA -0.031 4.309 4.340 0.000 0.000 0.202 381 Q C 2.085 178.121 176.000 0.061 0.000 0.978 381 Q CA 2.067 57.940 55.803 0.115 0.000 0.844 381 Q CB -0.641 28.199 28.738 0.169 0.000 0.898 381 Q HN 0.566 nan 8.270 nan 0.000 0.426 382 A N 0.336 123.155 122.820 -0.001 0.000 1.877 382 A HA -0.168 4.152 4.320 0.000 0.000 0.216 382 A C 1.889 179.473 177.584 -0.000 0.000 1.186 382 A CA 1.622 53.653 52.037 -0.009 0.000 0.620 382 A CB -0.743 18.231 19.000 -0.043 0.000 0.822 382 A HN 0.438 nan 8.150 nan 0.000 0.443 383 I N 0.210 120.762 120.570 -0.031 0.000 2.208 383 I HA -0.250 3.920 4.170 0.000 0.000 0.245 383 I C 2.933 179.145 176.117 0.158 0.000 1.097 383 I CA 1.363 62.657 61.300 -0.011 0.000 1.363 383 I CB -1.792 36.091 38.000 -0.195 0.000 1.051 383 I HN 0.358 nan 8.210 nan 0.000 0.413 384 A N 0.681 123.653 122.820 0.253 0.000 1.908 384 A HA -0.220 4.100 4.320 0.000 0.000 0.218 384 A C 2.009 179.686 177.584 0.155 0.000 1.181 384 A CA 2.027 54.235 52.037 0.285 0.000 0.627 384 A CB -0.642 18.536 19.000 0.296 0.000 0.818 384 A HN 0.381 nan 8.150 nan 0.000 0.445 385 D N -0.420 120.046 120.400 0.109 0.000 2.097 385 D HA -0.145 4.495 4.640 0.000 0.000 0.195 385 D C 2.214 178.544 176.300 0.050 0.000 0.989 385 D CA 1.579 55.619 54.000 0.066 0.000 0.827 385 D CB -0.507 40.322 40.800 0.048 0.000 0.966 385 D HN 0.639 nan 8.370 nan 0.000 0.456 386 Q N 0.197 120.024 119.800 0.043 0.000 2.084 386 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 386 Q C 2.317 178.337 176.000 0.032 0.000 0.978 386 Q CA 1.351 57.169 55.803 0.025 0.000 0.844 386 Q CB 0.020 28.762 28.738 0.006 0.000 0.898 386 Q HN 0.339 nan 8.270 nan 0.000 0.426 387 V N -3.301 116.651 119.914 0.063 0.000 3.541 387 V HA 0.315 4.435 4.120 0.000 0.000 0.267 387 V C 1.064 177.188 176.094 0.050 0.000 1.213 387 V CA 0.657 62.994 62.300 0.061 0.000 1.149 387 V CB -0.589 31.300 31.823 0.110 0.000 0.822 387 V HN 0.402 nan 8.190 nan 0.000 0.462 388 G N 0.932 109.764 108.800 0.053 0.000 2.272 388 G HA2 -0.259 3.701 3.960 0.000 0.000 0.280 388 G HA3 -0.259 3.701 3.960 0.000 0.000 0.280 388 G C -0.240 174.684 174.900 0.039 0.000 1.067 388 G CA 0.358 45.481 45.100 0.039 0.000 0.902 388 G HN 0.872 nan 8.290 nan 0.000 0.500 389 L N -0.010 121.248 121.223 0.059 0.000 2.667 389 L HA 0.402 4.742 4.340 0.000 0.000 0.278 389 L C 1.619 178.498 176.870 0.015 0.000 1.217 389 L CA 2.433 57.296 54.840 0.037 0.000 0.935 389 L CB 0.215 42.295 42.059 0.035 0.000 1.193 389 L HN 1.592 nan 8.230 nan 0.000 0.493 390 G N 3.677 112.483 108.800 0.011 0.000 2.307 390 G HA2 -0.296 3.664 3.960 0.000 0.000 0.210 390 G HA3 -0.296 3.664 3.960 0.000 0.000 0.210 390 G C 1.204 176.113 174.900 0.014 0.000 1.005 390 G CA 0.418 45.522 45.100 0.007 0.000 0.634 390 G HN 0.826 nan 8.290 nan 0.000 0.496 391 R N 0.878 121.387 120.500 0.016 0.000 2.091 391 R HA 0.208 4.548 4.340 0.000 0.000 0.238 391 R C 1.581 177.903 176.300 0.037 0.000 1.136 391 R CA 1.151 57.264 56.100 0.022 0.000 0.959 391 R CB -0.553 29.758 30.300 0.018 0.000 0.856 391 R HN 0.431 nan 8.270 nan 0.000 0.437 392 L N 0.000 121.237 121.223 0.023 0.000 2.949 392 L HA 0.000 4.340 4.340 0.000 0.000 0.249 392 L CA 0.000 54.862 54.840 0.038 0.000 0.813 392 L CB 0.000 42.019 42.059 -0.066 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502