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 3ftn_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGFAMLSIG KVGWIEKEKP APGPFDAIVR PLAVAPCTSD IHTVFEGAIG DATA SEQUENCE ERHNMILGHE AVGEVVEVGS EVKDFKPGDR VVVPAITPDW RTSEVQRGYH DATA SEQUENCE QHSGGMLAGW KFSNVKDGVF GEFFHVNDAD MNLAHLPKEI PLEAAVMIPD DATA SEQUENCE MMTTGFHGAE LADIEMGSSV VVIGIGAVGL MGIAGAKLRG AGRIIGVGSR DATA SEQUENCE PICVEAAKFY GATDILNYKN GHIVDQVMKL TNGKGVDRVI MAGGGSETLS DATA SEQUENCE QAVKMVKPGG IISNINYHGS GDALLIPRVE WGCGMAHKTI KGGLCPGGRL DATA SEQUENCE RMERLIDLVF YKRVDPSKLV THVFRGFDNI EKAFMLMKDK PKDLIKPVVI DATA SEQUENCE LA 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 0.000 176.422 176.300 0.203 0.000 1.140 1 M CA 0.000 55.410 55.300 0.183 0.000 0.988 1 M CB 0.000 32.765 32.600 0.276 0.000 1.302 2 K N 1.201 121.736 120.400 0.224 0.000 2.174 2 K HA 0.814 5.134 4.320 0.001 0.000 0.275 2 K C -0.256 176.683 176.600 0.565 0.000 1.015 2 K CA 0.033 56.546 56.287 0.377 0.000 0.933 2 K CB 1.733 34.466 32.500 0.388 0.000 1.025 2 K HN 0.874 nan 8.250 nan 0.000 0.463 3 G N 1.546 110.691 108.800 0.576 0.000 2.667 3 G HA2 0.475 4.435 3.960 0.001 0.000 0.298 3 G HA3 0.475 4.435 3.960 0.001 0.000 0.298 3 G C -1.816 173.267 174.900 0.305 0.000 1.377 3 G CA -0.589 44.799 45.100 0.481 0.000 0.964 3 G HN 0.349 nan 8.290 nan 0.000 0.493 4 F N 2.023 121.801 119.950 -0.286 0.000 2.405 4 F HA 0.750 5.278 4.527 0.001 0.000 0.355 4 F C 0.237 175.800 175.800 -0.395 0.000 1.121 4 F CA -0.424 57.081 58.000 -0.824 0.000 1.112 4 F CB 1.364 39.484 39.000 -1.467 0.000 1.126 4 F HN 0.709 nan 8.300 nan 0.000 0.481 5 A N 6.775 129.058 122.820 -0.895 0.000 2.556 5 A HA 0.566 4.887 4.320 0.001 0.000 0.294 5 A C -1.185 176.015 177.584 -0.639 0.000 1.091 5 A CA -0.988 50.718 52.037 -0.551 0.000 0.704 5 A CB 1.477 20.320 19.000 -0.260 0.000 1.300 5 A HN 0.848 nan 8.150 nan 0.000 0.406 6 M N 3.233 122.580 119.600 -0.422 0.000 2.220 6 M HA 0.252 4.732 4.480 0.001 0.000 0.343 6 M C -0.350 175.793 176.300 -0.261 0.000 1.470 6 M CA -0.192 54.893 55.300 -0.357 0.000 1.161 6 M CB -0.139 32.300 32.600 -0.270 0.000 1.737 6 M HN 0.730 nan 8.290 nan 0.000 0.464 7 L N 3.198 124.276 121.223 -0.243 0.000 2.007 7 L HA 0.016 4.357 4.340 0.001 0.000 0.205 7 L C 1.128 177.927 176.870 -0.118 0.000 1.073 7 L CA 0.791 55.551 54.840 -0.133 0.000 0.744 7 L CB -0.783 41.215 42.059 -0.102 0.000 0.898 7 L HN 0.867 nan 8.230 nan 0.000 0.435 8 S N -2.000 113.598 115.700 -0.170 0.000 2.643 8 S HA 0.405 4.875 4.470 0.001 0.000 0.270 8 S C -0.516 173.956 174.600 -0.213 0.000 1.166 8 S CA -0.919 57.135 58.200 -0.244 0.000 0.815 8 S CB 1.198 64.323 63.200 -0.125 0.000 1.139 8 S HN 0.061 nan 8.310 nan 0.000 0.472 9 I N 2.000 122.451 120.570 -0.199 0.000 3.015 9 I HA 0.186 4.357 4.170 0.001 0.000 0.309 9 I C 1.645 177.686 176.117 -0.127 0.000 1.229 9 I CA 1.843 63.053 61.300 -0.151 0.000 1.430 9 I CB -0.598 37.350 38.000 -0.088 0.000 1.347 9 I HN 1.296 nan 8.210 nan 0.000 0.544 10 G N 4.847 113.522 108.800 -0.209 0.000 2.162 10 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 10 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 10 G C 0.121 174.957 174.900 -0.107 0.000 0.976 10 G CA -0.074 44.958 45.100 -0.114 0.000 0.655 10 G HN 0.623 nan 8.290 nan 0.000 0.533 11 K N -0.172 120.101 120.400 -0.212 0.000 2.443 11 K HA 0.657 4.977 4.320 0.001 0.000 0.252 11 K C -0.193 176.258 176.600 -0.249 0.000 0.933 11 K CA -0.508 55.696 56.287 -0.138 0.000 0.792 11 K CB 3.166 35.616 32.500 -0.083 0.000 1.185 11 K HN 0.651 nan 8.250 nan 0.000 0.425 12 V N -1.492 118.285 119.914 -0.229 0.000 2.962 12 V HA 1.017 5.138 4.120 0.001 0.000 0.313 12 V C -0.239 175.590 176.094 -0.443 0.000 1.099 12 V CA -0.586 61.430 62.300 -0.474 0.000 0.971 12 V CB 1.786 33.262 31.823 -0.577 0.000 1.028 12 V HN 0.885 nan 8.190 nan 0.000 0.430 13 G N 0.735 109.095 108.800 -0.732 0.000 2.466 13 G HA2 0.461 4.422 3.960 0.001 0.000 0.291 13 G HA3 0.461 4.422 3.960 0.001 0.000 0.291 13 G C -2.031 172.575 174.900 -0.489 0.000 1.460 13 G CA -0.908 43.936 45.100 -0.425 0.000 0.791 13 G HN 0.889 nan 8.290 nan 0.000 0.505 14 W N 0.324 121.612 121.300 -0.020 0.000 2.190 14 W HA 0.599 5.260 4.660 0.002 0.000 0.330 14 W C 0.965 177.490 176.519 0.011 0.000 1.299 14 W CA 0.043 57.421 57.345 0.055 0.000 1.215 14 W CB 0.867 30.401 29.460 0.123 0.000 1.147 14 W HN 0.546 nan 8.180 nan 0.000 0.563 15 I N -1.339 119.396 120.570 0.274 0.000 3.102 15 I HA 0.557 4.728 4.170 0.001 0.000 0.310 15 I C -1.190 175.049 176.117 0.202 0.000 1.246 15 I CA -1.469 59.933 61.300 0.170 0.000 0.979 15 I CB 2.362 40.406 38.000 0.072 0.000 1.267 15 I HN 0.287 nan 8.210 nan 0.000 0.451 16 E N 2.755 123.044 120.200 0.149 0.000 2.191 16 E HA 0.543 4.893 4.350 0.001 0.000 0.278 16 E C -1.295 175.377 176.600 0.121 0.000 0.972 16 E CA -0.710 55.776 56.400 0.144 0.000 0.804 16 E CB 1.692 31.459 29.700 0.112 0.000 1.110 16 E HN 0.488 nan 8.360 nan 0.000 0.394 17 K N 2.226 122.708 120.400 0.136 0.000 2.477 17 K HA 0.212 4.533 4.320 0.001 0.000 0.255 17 K C -1.172 175.500 176.600 0.120 0.000 0.952 17 K CA -0.998 55.359 56.287 0.118 0.000 0.826 17 K CB 1.831 34.408 32.500 0.129 0.000 1.331 17 K HN 0.374 nan 8.250 nan 0.000 0.437 18 E N 2.258 122.514 120.200 0.093 0.000 2.502 18 E HA -0.097 4.253 4.350 0.001 0.000 0.261 18 E C -0.743 175.924 176.600 0.110 0.000 0.974 18 E CA 0.537 56.987 56.400 0.084 0.000 0.936 18 E CB 0.458 30.194 29.700 0.060 0.000 0.926 18 E HN 0.253 nan 8.360 nan 0.000 0.459 19 K N 5.407 125.868 120.400 0.102 0.000 2.379 19 K HA 0.182 4.503 4.320 0.001 0.000 0.284 19 K C -2.163 174.475 176.600 0.065 0.000 1.044 19 K CA -1.490 54.861 56.287 0.106 0.000 0.974 19 K CB 0.369 32.883 32.500 0.023 0.000 0.962 19 K HN 0.286 nan 8.250 nan 0.000 0.474 20 P HA 0.175 nan 4.420 nan 0.000 0.274 20 P C -1.501 175.849 177.300 0.084 0.000 1.237 20 P CA -0.604 62.568 63.100 0.120 0.000 0.793 20 P CB 1.350 33.180 31.700 0.216 0.000 0.977 21 A N 2.161 125.043 122.820 0.103 0.000 2.355 21 A HA 0.757 5.077 4.320 0.001 0.000 0.324 21 A C -2.571 175.099 177.584 0.144 0.000 1.117 21 A CA -1.630 50.448 52.037 0.069 0.000 0.785 21 A CB 0.328 19.348 19.000 0.034 0.000 1.254 21 A HN 0.394 nan 8.150 nan 0.000 0.453 22 P HA 0.428 nan 4.420 nan 0.000 0.284 22 P C 0.368 177.718 177.300 0.083 0.000 1.253 22 P CA 0.006 63.138 63.100 0.053 0.000 0.800 22 P CB 1.244 32.922 31.700 -0.037 0.000 0.961 23 G N 2.560 111.445 108.800 0.142 0.000 2.621 23 G HA2 0.251 4.211 3.960 0.001 0.000 0.271 23 G HA3 0.251 4.211 3.960 0.001 0.000 0.271 23 G C -1.701 173.232 174.900 0.056 0.000 1.236 23 G CA -1.245 43.929 45.100 0.122 0.000 0.958 23 G HN 0.275 nan 8.290 nan 0.000 0.512 24 P HA -0.011 nan 4.420 nan 0.000 0.225 24 P C 0.719 177.795 177.300 -0.373 0.000 1.148 24 P CA 1.041 64.012 63.100 -0.214 0.000 0.779 24 P CB 0.056 31.557 31.700 -0.333 0.000 0.780 25 F N -1.738 118.230 119.950 0.029 0.000 2.678 25 F HA 0.193 4.721 4.527 0.002 0.000 0.305 25 F C 0.752 176.557 175.800 0.008 0.000 1.090 25 F CA -0.237 57.781 58.000 0.029 0.000 1.272 25 F CB 0.058 39.085 39.000 0.044 0.000 1.060 25 F HN -0.208 nan 8.300 nan 0.000 0.576 26 D N 0.331 120.792 120.400 0.101 0.000 2.326 26 D HA 0.641 5.282 4.640 0.001 0.000 0.251 26 D C -0.288 175.953 176.300 -0.098 0.000 1.023 26 D CA -0.294 53.686 54.000 -0.033 0.000 0.966 26 D CB 1.901 42.624 40.800 -0.128 0.000 1.156 26 D HN 0.003 nan 8.370 nan 0.000 0.494 27 A N 0.654 123.366 122.820 -0.180 0.000 2.401 27 A HA 0.616 4.937 4.320 0.001 0.000 0.310 27 A C -0.968 176.495 177.584 -0.203 0.000 1.075 27 A CA -0.652 51.293 52.037 -0.154 0.000 0.746 27 A CB 1.049 19.964 19.000 -0.141 0.000 1.277 27 A HN 0.382 nan 8.150 nan 0.000 0.425 28 I N 1.993 122.472 120.570 -0.152 0.000 2.359 28 I HA 0.487 4.658 4.170 0.001 0.000 0.294 28 I C -0.351 175.661 176.117 -0.175 0.000 0.987 28 I CA -0.538 60.675 61.300 -0.144 0.000 1.225 28 I CB 0.945 38.870 38.000 -0.125 0.000 1.366 28 I HN 0.281 nan 8.210 nan 0.000 0.466 29 V N 6.838 126.550 119.914 -0.336 0.000 2.680 29 V HA 0.555 4.676 4.120 0.001 0.000 0.309 29 V C -0.071 175.735 176.094 -0.480 0.000 1.052 29 V CA -0.973 61.047 62.300 -0.467 0.000 0.908 29 V CB 2.486 33.862 31.823 -0.745 0.000 1.001 29 V HN 0.832 nan 8.190 nan 0.000 0.431 30 R N 4.167 124.561 120.500 -0.177 0.000 2.460 30 R HA 0.657 4.997 4.340 0.001 0.000 0.303 30 R C -2.891 173.391 176.300 -0.029 0.000 0.968 30 R CA -1.885 54.145 56.100 -0.116 0.000 0.889 30 R CB 1.675 31.921 30.300 -0.090 0.000 1.123 30 R HN 0.413 nan 8.270 nan 0.000 0.455 31 P HA 0.037 nan 4.420 nan 0.000 0.271 31 P C -0.156 177.233 177.300 0.148 0.000 1.216 31 P CA -0.264 62.999 63.100 0.271 0.000 0.771 31 P CB 1.159 33.086 31.700 0.378 0.000 0.864 32 L N 1.439 122.743 121.223 0.135 0.000 2.537 32 L HA 0.369 4.710 4.340 0.001 0.000 0.224 32 L C 1.053 177.985 176.870 0.103 0.000 1.065 32 L CA 0.432 55.331 54.840 0.098 0.000 0.860 32 L CB 0.132 42.238 42.059 0.079 0.000 1.086 32 L HN 0.411 nan 8.230 nan 0.000 0.482 33 A N 0.386 123.275 122.820 0.115 0.000 2.517 33 A HA 0.646 4.967 4.320 0.001 0.000 0.297 33 A C -1.010 176.642 177.584 0.112 0.000 1.050 33 A CA -0.452 51.645 52.037 0.099 0.000 0.694 33 A CB 1.716 20.758 19.000 0.071 0.000 1.277 33 A HN -0.092 nan 8.150 nan 0.000 0.400 34 V N -1.477 118.506 119.914 0.115 0.000 3.130 34 V HA 1.046 5.166 4.120 0.001 0.000 0.310 34 V C -0.164 176.008 176.094 0.130 0.000 1.158 34 V CA -0.366 62.023 62.300 0.149 0.000 1.029 34 V CB 1.393 33.393 31.823 0.295 0.000 1.057 34 V HN 2.356 nan 8.190 nan 0.000 0.436 35 A N 2.706 125.619 122.820 0.156 0.000 2.498 35 A HA 1.073 5.394 4.320 0.001 0.000 0.298 35 A C -3.149 174.570 177.584 0.225 0.000 1.075 35 A CA -1.813 50.296 52.037 0.119 0.000 0.714 35 A CB 2.116 21.136 19.000 0.035 0.000 1.299 35 A HN 0.781 nan 8.150 nan 0.000 0.407 36 P HA 0.590 nan 4.420 nan 0.000 0.283 36 P C -0.856 176.471 177.300 0.045 0.000 1.271 36 P CA -0.644 62.622 63.100 0.278 0.000 0.841 36 P CB 1.350 33.209 31.700 0.266 0.000 1.122 37 C N 0.936 120.236 119.300 -0.000 0.000 2.563 37 C HA 0.394 4.854 4.460 0.001 0.000 0.314 37 C C 2.217 177.198 174.990 -0.015 0.000 1.199 37 C CA 0.319 59.319 59.018 -0.029 0.000 1.564 37 C CB 0.420 28.135 27.740 -0.042 0.000 2.173 37 C HN 0.857 nan 8.230 nan 0.000 0.485 38 T N 1.517 116.035 114.554 -0.061 0.000 2.778 38 T HA -0.203 4.148 4.350 0.001 0.000 0.269 38 T C 1.739 176.333 174.700 -0.178 0.000 1.050 38 T CA 2.293 64.291 62.100 -0.169 0.000 1.137 38 T CB -0.598 68.161 68.868 -0.182 0.000 0.860 38 T HN 1.103 nan 8.240 nan 0.000 0.468 39 S N 2.085 117.843 115.700 0.096 0.000 2.370 39 S HA -0.207 4.263 4.470 0.001 0.000 0.226 39 S C 1.725 176.573 174.600 0.414 0.000 1.033 39 S CA 1.451 59.897 58.200 0.410 0.000 1.011 39 S CB -0.808 62.644 63.200 0.419 0.000 0.852 39 S HN 0.462 nan 8.310 nan 0.000 0.457 40 D N 1.433 122.037 120.400 0.341 0.000 2.218 40 D HA 0.026 4.667 4.640 0.001 0.000 0.204 40 D C 1.857 178.352 176.300 0.324 0.000 0.976 40 D CA 0.603 54.834 54.000 0.386 0.000 0.853 40 D CB -0.239 40.839 40.800 0.464 0.000 0.939 40 D HN 0.368 nan 8.370 nan 0.000 0.481 41 I N 0.783 121.434 120.570 0.136 0.000 2.252 41 I HA -0.203 3.968 4.170 0.001 0.000 0.245 41 I C 2.153 178.407 176.117 0.229 0.000 1.102 41 I CA 1.218 62.606 61.300 0.147 0.000 1.385 41 I CB -1.193 36.735 38.000 -0.120 0.000 1.064 41 I HN 0.148 nan 8.210 nan 0.000 0.414 42 H N 0.792 119.946 119.070 0.140 0.000 2.353 42 H HA -0.115 4.442 4.556 0.003 0.000 0.300 42 H C 2.430 177.818 175.328 0.100 0.000 1.090 42 H CA 2.245 58.313 56.048 0.033 0.000 1.327 42 H CB -0.864 28.742 29.762 -0.260 0.000 1.383 42 H HN 0.421 nan 8.280 nan 0.000 0.508 43 T N -1.175 113.569 114.554 0.316 0.000 2.777 43 T HA -0.069 4.282 4.350 0.001 0.000 0.266 43 T C 2.289 177.032 174.700 0.072 0.000 1.040 43 T CA 1.434 63.670 62.100 0.226 0.000 1.141 43 T CB -0.851 68.176 68.868 0.265 0.000 0.868 43 T HN 0.065 nan 8.240 nan 0.000 0.444 44 V N 0.481 120.402 119.914 0.012 0.000 2.244 44 V HA 0.021 4.142 4.120 0.001 0.000 0.244 44 V C 2.381 178.268 176.094 -0.346 0.000 1.042 44 V CA 1.764 63.896 62.300 -0.280 0.000 1.006 44 V CB -0.758 30.749 31.823 -0.527 0.000 0.641 44 V HN 0.479 nan 8.190 nan 0.000 0.446 45 F N -0.244 119.761 119.950 0.091 0.000 2.619 45 F HA 0.173 4.700 4.527 0.000 0.000 0.293 45 F C 2.123 177.951 175.800 0.046 0.000 1.119 45 F CA 0.448 58.484 58.000 0.060 0.000 1.445 45 F CB -0.071 38.962 39.000 0.055 0.000 1.119 45 F HN 0.162 nan 8.300 nan 0.000 0.573 46 E N -0.295 120.026 120.200 0.201 0.000 2.498 46 E HA 0.199 4.549 4.350 0.001 0.000 0.203 46 E C 1.427 178.065 176.600 0.063 0.000 1.013 46 E CA 0.265 56.733 56.400 0.114 0.000 0.927 46 E CB 0.329 30.082 29.700 0.088 0.000 1.012 46 E HN 0.278 nan 8.360 nan 0.000 0.482 47 G N 1.894 110.725 108.800 0.052 0.000 2.379 47 G HA2 -0.381 3.580 3.960 0.001 0.000 0.297 47 G HA3 -0.381 3.580 3.960 0.001 0.000 0.297 47 G C 1.012 175.939 174.900 0.045 0.000 1.004 47 G CA 0.442 45.556 45.100 0.024 0.000 0.921 47 G HN 0.415 nan 8.290 nan 0.000 0.511 48 A N -0.328 122.541 122.820 0.083 0.000 1.978 48 A HA 0.159 4.480 4.320 0.001 0.000 0.220 48 A C 2.081 179.753 177.584 0.146 0.000 1.170 48 A CA 1.723 53.818 52.037 0.097 0.000 0.636 48 A CB -0.249 18.797 19.000 0.077 0.000 0.810 48 A HN 1.514 nan 8.150 nan 0.000 0.448 49 I N -4.951 115.704 120.570 0.141 0.000 3.707 49 I HA 0.580 4.750 4.170 0.001 0.000 0.330 49 I C 0.637 176.757 176.117 0.005 0.000 1.572 49 I CA -0.056 61.292 61.300 0.081 0.000 1.104 49 I CB -0.239 37.800 38.000 0.064 0.000 1.240 49 I HN 0.387 nan 8.210 nan 0.000 0.475 50 G N 1.904 110.706 108.800 0.003 0.000 2.655 50 G HA2 -0.179 3.782 3.960 0.001 0.000 0.680 50 G HA3 -0.179 3.782 3.960 0.001 0.000 0.680 50 G C -0.716 174.149 174.900 -0.059 0.000 1.302 50 G CA -0.565 44.519 45.100 -0.027 0.000 0.872 50 G HN 0.476 nan 8.290 nan 0.000 0.540 51 E N 0.113 120.269 120.200 -0.075 0.000 2.408 51 E HA 0.644 4.995 4.350 0.001 0.000 0.259 51 E C 0.530 177.021 176.600 -0.183 0.000 1.110 51 E CA 0.107 56.424 56.400 -0.139 0.000 0.929 51 E CB 0.414 30.051 29.700 -0.105 0.000 0.971 51 E HN 0.589 nan 8.360 nan 0.000 0.438 52 R N 1.976 122.281 120.500 -0.326 0.000 2.643 52 R HA 0.336 4.677 4.340 0.001 0.000 0.269 52 R C -1.092 174.910 176.300 -0.497 0.000 1.037 52 R CA -0.688 55.241 56.100 -0.284 0.000 0.894 52 R CB 1.387 31.575 30.300 -0.188 0.000 1.238 52 R HN 0.652 nan 8.270 nan 0.000 0.459 53 H N 2.068 121.099 119.070 -0.065 0.000 2.658 53 H HA 0.272 4.829 4.556 0.001 0.000 0.337 53 H C -0.219 175.071 175.328 -0.064 0.000 1.009 53 H CA -0.645 55.365 56.048 -0.063 0.000 1.231 53 H CB 1.604 31.337 29.762 -0.047 0.000 1.508 53 H HN 0.451 nan 8.280 nan 0.000 0.517 54 N N 1.645 120.355 118.700 0.018 0.000 2.705 54 N HA -0.215 4.525 4.740 0.001 0.000 0.255 54 N C -0.219 175.269 175.510 -0.037 0.000 1.008 54 N CA 0.597 53.634 53.050 -0.022 0.000 0.742 54 N CB -0.850 37.646 38.487 0.016 0.000 0.906 54 N HN 0.680 nan 8.380 nan 0.000 0.541 55 M N 1.171 120.724 119.600 -0.079 0.000 2.063 55 M HA 0.280 4.761 4.480 0.001 0.000 0.348 55 M C 0.105 176.353 176.300 -0.087 0.000 1.180 55 M CA -0.563 54.697 55.300 -0.067 0.000 1.059 55 M CB 0.431 32.982 32.600 -0.082 0.000 1.544 55 M HN 0.081 nan 8.290 nan 0.000 0.447 56 I N 5.783 126.333 120.570 -0.034 0.000 2.741 56 I HA -0.094 4.076 4.170 0.001 0.000 0.288 56 I C 0.091 176.178 176.117 -0.049 0.000 1.192 56 I CA 0.166 61.451 61.300 -0.024 0.000 1.426 56 I CB 0.063 38.106 38.000 0.071 0.000 1.367 56 I HN 0.662 nan 8.210 nan 0.000 0.563 57 L N 5.264 126.443 121.223 -0.075 0.000 2.488 57 L HA 0.689 5.030 4.340 0.001 0.000 0.249 57 L C 0.732 177.245 176.870 -0.595 0.000 1.151 57 L CA -0.383 54.377 54.840 -0.135 0.000 0.806 57 L CB 0.485 42.520 42.059 -0.039 0.000 1.261 57 L HN 0.862 nan 8.230 nan 0.000 0.484 58 G N 0.141 108.418 108.800 -0.872 0.000 3.019 58 G HA2 -0.124 3.837 3.960 0.001 0.000 0.686 58 G HA3 -0.124 3.837 3.960 0.001 0.000 0.686 58 G C -0.434 173.991 174.900 -0.791 0.000 1.056 58 G CA -0.080 44.045 45.100 -1.625 0.000 0.774 58 G HN 1.090 nan 8.290 nan 0.000 0.583 59 H N 0.084 118.883 119.070 -0.452 0.000 2.985 59 H HA 0.393 4.950 4.556 0.001 0.000 0.246 59 H C -0.205 174.987 175.328 -0.227 0.000 1.181 59 H CA 0.071 55.961 56.048 -0.264 0.000 0.972 59 H CB 0.753 30.567 29.762 0.088 0.000 2.016 59 H HN 0.535 nan 8.280 nan 0.000 0.672 60 E N 1.686 121.704 120.200 -0.304 0.000 2.235 60 E HA 0.696 5.047 4.350 0.001 0.000 0.252 60 E C -1.123 175.409 176.600 -0.114 0.000 0.886 60 E CA -0.680 55.638 56.400 -0.137 0.000 0.767 60 E CB 2.226 31.870 29.700 -0.093 0.000 1.205 60 E HN 0.502 nan 8.360 nan 0.000 0.421 61 A N 2.221 124.985 122.820 -0.093 0.000 2.549 61 A HA 0.652 4.973 4.320 0.001 0.000 0.297 61 A C -1.181 176.447 177.584 0.074 0.000 1.061 61 A CA -0.599 51.431 52.037 -0.012 0.000 0.690 61 A CB 1.524 20.472 19.000 -0.087 0.000 1.287 61 A HN 0.329 nan 8.150 nan 0.000 0.402 62 V N 1.068 121.047 119.914 0.108 0.000 2.513 62 V HA 0.857 4.978 4.120 0.001 0.000 0.299 62 V C 0.722 176.907 176.094 0.151 0.000 1.035 62 V CA 0.456 62.827 62.300 0.118 0.000 0.889 62 V CB 1.660 33.536 31.823 0.089 0.000 0.988 62 V HN 1.480 nan 8.190 nan 0.000 0.440 63 G N 2.651 111.535 108.800 0.140 0.000 2.727 63 G HA2 0.639 4.600 3.960 0.001 0.000 0.289 63 G HA3 0.639 4.600 3.960 0.001 0.000 0.289 63 G C -1.629 173.308 174.900 0.063 0.000 1.418 63 G CA -0.447 44.722 45.100 0.115 0.000 0.818 63 G HN 0.632 nan 8.290 nan 0.000 0.486 64 E N 0.076 120.295 120.200 0.031 0.000 2.176 64 E HA 0.488 4.839 4.350 0.001 0.000 0.267 64 E C -0.610 175.991 176.600 0.002 0.000 0.893 64 E CA -0.602 55.819 56.400 0.034 0.000 0.761 64 E CB 1.993 31.719 29.700 0.044 0.000 1.133 64 E HN 0.207 nan 8.360 nan 0.000 0.409 65 V N 5.162 125.085 119.914 0.014 0.000 2.585 65 V HA -0.022 4.099 4.120 0.001 0.000 0.296 65 V C 1.240 177.339 176.094 0.009 0.000 1.035 65 V CA 0.329 62.624 62.300 -0.009 0.000 1.084 65 V CB 0.918 32.759 31.823 0.031 0.000 0.953 65 V HN 0.717 nan 8.190 nan 0.000 0.483 66 V N 1.139 121.046 119.914 -0.012 0.000 3.635 66 V HA 0.431 4.551 4.120 0.001 0.000 0.266 66 V C 0.331 176.402 176.094 -0.038 0.000 1.316 66 V CA 0.479 62.777 62.300 -0.004 0.000 1.060 66 V CB -0.336 31.503 31.823 0.027 0.000 0.820 66 V HN 0.970 nan 8.190 nan 0.000 0.447 67 E N 0.516 120.684 120.200 -0.053 0.000 2.380 67 E HA 0.634 4.984 4.350 0.001 0.000 0.281 67 E C -1.359 175.213 176.600 -0.047 0.000 0.999 67 E CA -0.710 55.660 56.400 -0.051 0.000 0.800 67 E CB 2.390 32.045 29.700 -0.075 0.000 1.228 67 E HN 0.328 nan 8.360 nan 0.000 0.436 68 V N -1.559 118.338 119.914 -0.028 0.000 3.074 68 V HA 0.919 5.040 4.120 0.001 0.000 0.314 68 V C 0.435 176.507 176.094 -0.036 0.000 1.117 68 V CA -0.248 62.039 62.300 -0.022 0.000 1.014 68 V CB 1.507 33.343 31.823 0.022 0.000 1.057 68 V HN 0.862 nan 8.190 nan 0.000 0.438 69 G N 0.797 109.569 108.800 -0.046 0.000 2.537 69 G HA2 0.412 4.372 3.960 0.001 0.000 0.273 69 G HA3 0.412 4.372 3.960 0.001 0.000 0.273 69 G C 0.957 175.794 174.900 -0.104 0.000 1.189 69 G CA 0.101 45.156 45.100 -0.075 0.000 0.881 69 G HN 1.602 nan 8.290 nan 0.000 0.535 70 S N -0.625 114.998 115.700 -0.129 0.000 2.500 70 S HA -0.052 4.419 4.470 0.001 0.000 0.239 70 S C 1.237 175.731 174.600 -0.177 0.000 0.989 70 S CA 1.145 59.269 58.200 -0.126 0.000 0.951 70 S CB 0.086 63.221 63.200 -0.108 0.000 0.759 70 S HN 0.537 nan 8.310 nan 0.000 0.523 71 E N 0.903 120.918 120.200 -0.308 0.000 2.474 71 E HA 0.268 4.619 4.350 0.001 0.000 0.195 71 E C -0.144 176.343 176.600 -0.188 0.000 1.039 71 E CA -0.054 56.116 56.400 -0.383 0.000 0.881 71 E CB 0.470 29.571 29.700 -0.998 0.000 0.970 71 E HN 0.360 nan 8.360 nan 0.000 0.486 72 V N 2.366 122.221 119.914 -0.099 0.000 2.508 72 V HA 0.020 4.141 4.120 0.001 0.000 0.281 72 V C 1.269 177.388 176.094 0.043 0.000 1.041 72 V CA 0.512 62.831 62.300 0.031 0.000 1.016 72 V CB 1.099 32.959 31.823 0.063 0.000 0.984 72 V HN 0.076 nan 8.190 nan 0.000 0.478 73 K N 1.869 122.310 120.400 0.069 0.000 2.350 73 K HA 0.147 4.468 4.320 0.001 0.000 0.196 73 K C 0.387 176.981 176.600 -0.010 0.000 1.084 73 K CA 0.195 56.496 56.287 0.024 0.000 0.967 73 K CB 0.448 32.957 32.500 0.015 0.000 0.950 73 K HN 0.552 nan 8.250 nan 0.000 0.512 74 D N -0.287 120.097 120.400 -0.027 0.000 2.398 74 D HA 0.150 4.791 4.640 0.001 0.000 0.210 74 D C -0.520 175.463 176.300 -0.528 0.000 1.094 74 D CA 0.314 54.150 54.000 -0.274 0.000 0.839 74 D CB 0.415 40.978 40.800 -0.394 0.000 0.963 74 D HN -0.034 nan 8.370 nan 0.000 0.506 75 F N 0.818 120.818 119.950 0.082 0.000 2.565 75 F HA 0.382 4.910 4.527 0.001 0.000 0.313 75 F C 0.158 175.988 175.800 0.050 0.000 1.091 75 F CA -1.160 56.890 58.000 0.082 0.000 0.915 75 F CB 2.025 41.018 39.000 -0.012 0.000 1.208 75 F HN -0.375 nan 8.300 nan 0.000 0.453 76 K N 0.768 121.308 120.400 0.233 0.000 2.512 76 K HA 0.715 5.036 4.320 0.001 0.000 0.263 76 K C -3.358 173.309 176.600 0.111 0.000 0.966 76 K CA -2.425 53.937 56.287 0.125 0.000 0.851 76 K CB 1.946 34.490 32.500 0.073 0.000 1.395 76 K HN 0.084 nan 8.250 nan 0.000 0.440 77 P HA -0.019 nan 4.420 nan 0.000 0.264 77 P C 0.563 177.898 177.300 0.058 0.000 1.183 77 P CA 1.582 64.710 63.100 0.048 0.000 0.763 77 P CB 0.560 32.274 31.700 0.024 0.000 0.807 78 G N 1.935 110.771 108.800 0.061 0.000 2.258 78 G HA2 -0.189 3.771 3.960 0.001 0.000 0.233 78 G HA3 -0.189 3.771 3.960 0.001 0.000 0.233 78 G C -0.112 174.841 174.900 0.089 0.000 1.006 78 G CA -0.322 44.816 45.100 0.063 0.000 0.620 78 G HN 0.513 nan 8.290 nan 0.000 0.511 79 D N 1.667 122.144 120.400 0.128 0.000 2.417 79 D HA 0.397 5.038 4.640 0.001 0.000 0.250 79 D C 1.003 177.403 176.300 0.167 0.000 1.166 79 D CA 0.206 54.324 54.000 0.197 0.000 0.881 79 D CB 0.464 41.466 40.800 0.337 0.000 1.164 79 D HN 0.403 nan 8.370 nan 0.000 0.467 80 R N 1.162 121.763 120.500 0.169 0.000 2.308 80 R HA 0.457 4.797 4.340 0.001 0.000 0.305 80 R C -0.237 176.154 176.300 0.152 0.000 1.053 80 R CA -0.676 55.505 56.100 0.134 0.000 0.957 80 R CB 1.016 31.385 30.300 0.115 0.000 1.022 80 R HN 0.272 nan 8.270 nan 0.000 0.461 81 V N -0.501 119.473 119.914 0.100 0.000 2.925 81 V HA 0.489 4.610 4.120 0.001 0.000 0.311 81 V C -0.298 175.839 176.094 0.072 0.000 1.104 81 V CA -1.099 61.241 62.300 0.067 0.000 0.954 81 V CB 2.112 33.907 31.823 -0.046 0.000 1.022 81 V HN 0.363 nan 8.190 nan 0.000 0.427 82 V N 3.732 123.686 119.914 0.068 0.000 2.406 82 V HA 0.401 4.522 4.120 0.001 0.000 0.272 82 V C 0.164 176.296 176.094 0.065 0.000 1.043 82 V CA -0.286 62.057 62.300 0.071 0.000 0.915 82 V CB 1.319 33.183 31.823 0.069 0.000 0.988 82 V HN 0.750 nan 8.190 nan 0.000 0.466 83 V N 8.461 128.433 119.914 0.098 0.000 2.370 83 V HA 0.340 4.461 4.120 0.001 0.000 0.279 83 V C -2.073 174.102 176.094 0.135 0.000 1.029 83 V CA -1.897 60.488 62.300 0.142 0.000 0.870 83 V CB 1.518 33.482 31.823 0.236 0.000 0.984 83 V HN 0.742 nan 8.190 nan 0.000 0.451 84 P HA 0.182 nan 4.420 nan 0.000 0.272 84 P C 0.587 177.995 177.300 0.181 0.000 1.223 84 P CA -0.170 63.003 63.100 0.121 0.000 0.784 84 P CB 1.047 32.810 31.700 0.106 0.000 0.923 85 A N 2.610 125.506 122.820 0.126 0.000 1.933 85 A HA -0.084 4.236 4.320 0.001 0.000 0.218 85 A C 1.017 178.680 177.584 0.132 0.000 1.175 85 A CA 1.378 53.509 52.037 0.156 0.000 0.628 85 A CB -0.890 18.108 19.000 -0.002 0.000 0.814 85 A HN 0.489 nan 8.150 nan 0.000 0.444 86 I N 1.250 121.851 120.570 0.052 0.000 2.304 86 I HA 0.228 4.398 4.170 0.001 0.000 0.291 86 I C 0.206 176.344 176.117 0.036 0.000 1.018 86 I CA 0.304 61.626 61.300 0.037 0.000 1.260 86 I CB 1.426 39.431 38.000 0.008 0.000 1.390 86 I HN 0.187 nan 8.210 nan 0.000 0.475 87 T N 4.931 119.465 114.554 -0.032 0.000 3.155 87 T HA 0.555 4.906 4.350 0.001 0.000 0.384 87 T C -2.709 171.923 174.700 -0.112 0.000 1.351 87 T CA -2.094 59.982 62.100 -0.040 0.000 1.198 87 T CB 0.684 69.492 68.868 -0.099 0.000 1.106 87 T HN 0.112 nan 8.240 nan 0.000 0.564 88 P HA 0.314 nan 4.420 nan 0.000 0.277 88 P C -0.442 176.635 177.300 -0.371 0.000 1.240 88 P CA -0.385 62.474 63.100 -0.401 0.000 0.798 88 P CB 0.613 31.829 31.700 -0.808 0.000 0.979 89 D N 1.271 121.514 120.400 -0.261 0.000 2.371 89 D HA -0.001 4.639 4.640 0.001 0.000 0.256 89 D C 0.470 176.644 176.300 -0.211 0.000 1.193 89 D CA 0.252 54.167 54.000 -0.142 0.000 0.881 89 D CB 0.399 41.146 40.800 -0.088 0.000 1.143 89 D HN 0.458 nan 8.370 nan 0.000 0.473 90 W N 1.569 122.841 121.300 -0.047 0.000 2.770 90 W HA 0.020 4.682 4.660 0.002 0.000 0.256 90 W C 1.103 177.603 176.519 -0.032 0.000 1.291 90 W CA -0.209 57.113 57.345 -0.039 0.000 1.396 90 W CB 0.346 29.772 29.460 -0.056 0.000 1.114 90 W HN -0.011 nan 8.180 nan 0.000 0.637 91 R N 1.276 121.845 120.500 0.115 0.000 3.436 91 R HA 0.219 4.560 4.340 0.001 0.000 0.247 91 R C -0.143 176.173 176.300 0.027 0.000 1.434 91 R CA 0.132 56.271 56.100 0.066 0.000 1.543 91 R CB -0.217 30.096 30.300 0.022 0.000 1.289 91 R HN -0.129 nan 8.270 nan 0.000 0.664 92 T N -3.660 110.911 114.554 0.029 0.000 2.864 92 T HA 0.144 4.495 4.350 0.001 0.000 0.299 92 T C 1.275 175.993 174.700 0.030 0.000 1.166 92 T CA -0.642 61.465 62.100 0.011 0.000 1.007 92 T CB 1.690 70.548 68.868 -0.017 0.000 1.219 92 T HN 0.160 nan 8.240 nan 0.000 0.506 93 S N 0.421 116.137 115.700 0.026 0.000 2.382 93 S HA -0.147 4.323 4.470 0.001 0.000 0.228 93 S C 1.494 176.129 174.600 0.057 0.000 1.027 93 S CA 1.338 59.561 58.200 0.039 0.000 0.991 93 S CB -0.804 62.414 63.200 0.029 0.000 0.823 93 S HN 0.783 nan 8.310 nan 0.000 0.469 94 E N 1.192 121.424 120.200 0.053 0.000 2.153 94 E HA -0.028 4.323 4.350 0.001 0.000 0.194 94 E C 2.072 178.734 176.600 0.103 0.000 0.988 94 E CA 1.019 57.474 56.400 0.091 0.000 0.811 94 E CB -0.550 29.201 29.700 0.086 0.000 0.746 94 E HN 0.411 nan 8.360 nan 0.000 0.466 95 V N 0.990 120.942 119.914 0.063 0.000 2.358 95 V HA -0.275 3.846 4.120 0.001 0.000 0.246 95 V C 2.134 178.298 176.094 0.117 0.000 1.047 95 V CA 1.791 64.146 62.300 0.092 0.000 1.035 95 V CB -0.424 31.467 31.823 0.113 0.000 0.658 95 V HN 0.314 nan 8.190 nan 0.000 0.452 96 Q N -0.469 119.389 119.800 0.097 0.000 2.170 96 Q HA -0.153 4.188 4.340 0.001 0.000 0.203 96 Q C 2.301 178.354 176.000 0.089 0.000 0.976 96 Q CA 1.099 56.954 55.803 0.086 0.000 0.858 96 Q CB -0.177 28.602 28.738 0.068 0.000 0.907 96 Q HN 0.568 nan 8.270 nan 0.000 0.433 97 R N -0.646 119.921 120.500 0.111 0.000 2.307 97 R HA 0.009 4.350 4.340 0.001 0.000 0.199 97 R C 0.896 177.282 176.300 0.143 0.000 1.000 97 R CA 0.653 56.843 56.100 0.151 0.000 1.023 97 R CB 0.343 30.761 30.300 0.197 0.000 0.908 97 R HN 0.392 nan 8.270 nan 0.000 0.473 98 G N 0.101 108.937 108.800 0.060 0.000 2.130 98 G HA2 -0.266 3.695 3.960 0.001 0.000 0.216 98 G HA3 -0.266 3.695 3.960 0.001 0.000 0.216 98 G C -0.367 174.293 174.900 -0.401 0.000 0.999 98 G CA -0.377 44.647 45.100 -0.127 0.000 0.686 98 G HN 0.360 nan 8.290 nan 0.000 0.515 99 Y N 1.253 121.572 120.300 0.032 0.000 2.470 99 Y HA 0.292 4.844 4.550 0.002 0.000 0.352 99 Y C 1.736 177.550 175.900 -0.144 0.000 0.967 99 Y CA -0.456 57.627 58.100 -0.030 0.000 1.121 99 Y CB -0.309 38.209 38.460 0.096 0.000 1.149 99 Y HN 0.497 nan 8.280 nan 0.000 0.641 100 H N -1.230 117.776 119.070 -0.107 0.000 2.460 100 H HA -0.186 4.371 4.556 0.002 0.000 0.297 100 H C 0.669 175.790 175.328 -0.344 0.000 1.103 100 H CA 1.788 57.631 56.048 -0.343 0.000 1.292 100 H CB 0.175 29.523 29.762 -0.690 0.000 1.376 100 H HN 0.439 nan 8.280 nan 0.000 0.531 101 Q N 0.719 120.112 119.800 -0.679 0.000 2.297 101 Q HA -0.105 4.235 4.340 0.001 0.000 0.208 101 Q C 0.744 176.340 176.000 -0.673 0.000 0.981 101 Q CA 1.302 56.716 55.803 -0.649 0.000 0.876 101 Q CB -0.026 28.220 28.738 -0.821 0.000 0.921 101 Q HN 0.766 nan 8.270 nan 0.000 0.446 102 H N -1.600 117.428 119.070 -0.071 0.000 2.475 102 H HA 0.279 4.836 4.556 0.002 0.000 0.276 102 H C -0.312 174.979 175.328 -0.062 0.000 1.126 102 H CA -0.255 55.762 56.048 -0.052 0.000 1.023 102 H CB 0.373 30.109 29.762 -0.043 0.000 1.669 102 H HN -0.010 nan 8.280 nan 0.000 0.573 103 S N 0.457 116.120 115.700 -0.060 0.000 2.498 103 S HA 0.290 4.761 4.470 0.001 0.000 0.281 103 S C 1.456 176.018 174.600 -0.064 0.000 1.265 103 S CA 0.839 58.991 58.200 -0.080 0.000 1.071 103 S CB -0.095 62.991 63.200 -0.191 0.000 0.894 103 S HN 0.826 nan 8.310 nan 0.000 0.491 104 G N 2.959 111.737 108.800 -0.037 0.000 2.159 104 G HA2 0.087 4.048 3.960 0.001 0.000 0.256 104 G HA3 0.087 4.048 3.960 0.001 0.000 0.256 104 G C 0.863 175.746 174.900 -0.028 0.000 0.977 104 G CA 0.045 45.123 45.100 -0.037 0.000 0.652 104 G HN 1.948 nan 8.290 nan 0.000 0.531 105 G N -1.658 107.140 108.800 -0.004 0.000 2.351 105 G HA2 0.408 4.369 3.960 0.001 0.000 0.353 105 G HA3 0.408 4.369 3.960 0.001 0.000 0.353 105 G C -0.197 174.733 174.900 0.051 0.000 1.358 105 G CA 0.022 45.122 45.100 0.001 0.000 0.995 105 G HN 1.179 nan 8.290 nan 0.000 0.611 106 M N 1.465 121.079 119.600 0.023 0.000 2.327 106 M HA 0.303 4.784 4.480 0.001 0.000 0.353 106 M C 1.387 177.783 176.300 0.161 0.000 1.539 106 M CA 0.751 56.091 55.300 0.066 0.000 1.039 106 M CB -0.512 32.062 32.600 -0.043 0.000 1.967 106 M HN 1.022 nan 8.290 nan 0.000 0.459 107 L N 2.645 124.115 121.223 0.411 0.000 5.081 107 L HA -0.330 4.010 4.340 0.001 0.000 0.423 107 L C 1.334 178.230 176.870 0.044 0.000 1.019 107 L CA 0.658 55.615 54.840 0.196 0.000 1.223 107 L CB -2.267 39.890 42.059 0.162 0.000 1.940 107 L HN 0.877 nan 8.230 nan 0.000 0.675 108 A N 0.383 123.205 122.820 0.002 0.000 2.121 108 A HA 0.173 4.494 4.320 0.001 0.000 0.218 108 A C 2.126 179.651 177.584 -0.098 0.000 1.154 108 A CA 1.728 53.719 52.037 -0.076 0.000 0.679 108 A CB -0.503 18.457 19.000 -0.067 0.000 0.795 108 A HN 0.590 nan 8.150 nan 0.000 0.458 109 G N -1.443 107.297 108.800 -0.100 0.000 2.471 109 G HA2 -0.127 3.833 3.960 0.001 0.000 0.219 109 G HA3 -0.127 3.833 3.960 0.001 0.000 0.219 109 G C 0.475 175.359 174.900 -0.025 0.000 1.125 109 G CA 0.568 45.598 45.100 -0.116 0.000 0.775 109 G HN 0.617 nan 8.290 nan 0.000 0.548 110 W N 2.135 123.314 121.300 -0.202 0.000 2.416 110 W HA 0.566 5.226 4.660 -0.000 0.000 0.318 110 W C 0.699 177.100 176.519 -0.197 0.000 1.150 110 W CA -1.810 55.411 57.345 -0.207 0.000 1.392 110 W CB 0.580 29.902 29.460 -0.230 0.000 1.311 110 W HN -0.071 nan 8.180 nan 0.000 0.436 111 K N 4.033 124.386 120.400 -0.078 0.000 2.225 111 K HA 0.089 4.410 4.320 0.001 0.000 0.204 111 K C 0.230 176.714 176.600 -0.194 0.000 1.047 111 K CA 0.049 56.173 56.287 -0.272 0.000 0.970 111 K CB -0.226 32.075 32.500 -0.331 0.000 0.939 111 K HN 0.024 nan 8.250 nan 0.000 0.472 112 F N 3.159 123.146 119.950 0.063 0.000 2.612 112 F HA -0.152 4.375 4.527 0.001 0.000 0.389 112 F C 1.346 177.227 175.800 0.135 0.000 1.055 112 F CA 0.884 58.927 58.000 0.072 0.000 1.232 112 F CB -0.121 38.930 39.000 0.084 0.000 1.044 112 F HN 0.353 nan 8.300 nan 0.000 0.560 113 S N 0.573 116.405 115.700 0.220 0.000 3.270 113 S HA -0.368 4.103 4.470 0.001 0.000 0.293 113 S C 1.044 175.617 174.600 -0.046 0.000 1.278 113 S CA 1.355 59.642 58.200 0.146 0.000 1.038 113 S CB -1.880 61.495 63.200 0.293 0.000 1.218 113 S HN 0.795 nan 8.310 nan 0.000 0.659 114 N N 1.368 119.832 118.700 -0.393 0.000 2.724 114 N HA 0.236 4.977 4.740 0.001 0.000 0.226 114 N C 1.108 176.349 175.510 -0.449 0.000 1.030 114 N CA 1.817 54.396 53.050 -0.786 0.000 1.038 114 N CB 0.502 37.932 38.487 -1.761 0.000 1.475 114 N HN 1.195 nan 8.380 nan 0.000 0.472 115 V N -2.375 117.317 119.914 -0.370 0.000 3.017 115 V HA 0.554 4.674 4.120 0.001 0.000 0.354 115 V C -0.255 175.743 176.094 -0.159 0.000 1.389 115 V CA -0.523 61.638 62.300 -0.231 0.000 1.163 115 V CB -0.355 31.334 31.823 -0.223 0.000 1.178 115 V HN 0.234 nan 8.190 nan 0.000 0.547 116 K N 0.316 120.642 120.400 -0.123 0.000 2.557 116 K HA 0.355 4.675 4.320 0.001 0.000 0.261 116 K C -1.464 175.170 176.600 0.057 0.000 0.932 116 K CA -0.585 55.675 56.287 -0.046 0.000 0.829 116 K CB 2.195 34.642 32.500 -0.089 0.000 1.358 116 K HN 0.181 nan 8.250 nan 0.000 0.430 117 D N 2.000 122.456 120.400 0.094 0.000 2.533 117 D HA 0.027 4.667 4.640 0.001 0.000 0.236 117 D C 0.487 176.941 176.300 0.257 0.000 1.137 117 D CA 0.878 54.962 54.000 0.140 0.000 0.867 117 D CB 1.020 41.911 40.800 0.153 0.000 1.170 117 D HN 0.668 nan 8.370 nan 0.000 0.474 118 G N 0.433 109.309 108.800 0.127 0.000 2.494 118 G HA2 0.284 4.245 3.960 0.001 0.000 0.270 118 G HA3 0.284 4.245 3.960 0.001 0.000 0.270 118 G C 1.130 175.839 174.900 -0.318 0.000 1.423 118 G CA -0.088 44.991 45.100 -0.035 0.000 1.055 118 G HN 0.378 nan 8.290 nan 0.000 0.536 119 V N -3.164 116.313 119.914 -0.729 0.000 3.649 119 V HA 0.307 4.427 4.120 0.001 0.000 0.275 119 V C 0.773 176.846 176.094 -0.036 0.000 1.281 119 V CA 0.200 62.019 62.300 -0.802 0.000 1.143 119 V CB -0.733 30.349 31.823 -1.236 0.000 0.892 119 V HN 0.293 nan 8.190 nan 0.000 0.441 120 F N 3.080 122.987 119.950 -0.071 0.000 2.859 120 F HA 0.735 5.263 4.527 0.001 0.000 0.315 120 F C 1.130 177.038 175.800 0.179 0.000 1.207 120 F CA -0.636 57.375 58.000 0.018 0.000 1.370 120 F CB -0.590 38.371 39.000 -0.064 0.000 1.314 120 F HN 0.323 nan 8.300 nan 0.000 0.555 121 G N -0.540 108.562 108.800 0.503 0.000 2.733 121 G HA2 0.333 4.294 3.960 0.001 0.000 0.288 121 G HA3 0.333 4.294 3.960 0.001 0.000 0.288 121 G C 0.427 175.620 174.900 0.488 0.000 1.373 121 G CA -0.554 44.877 45.100 0.552 0.000 0.895 121 G HN 0.175 nan 8.290 nan 0.000 0.479 122 E N -1.050 119.271 120.200 0.202 0.000 2.204 122 E HA 0.032 4.383 4.350 0.001 0.000 0.194 122 E C -0.403 175.779 176.600 -0.697 0.000 0.989 122 E CA 1.045 57.198 56.400 -0.411 0.000 0.824 122 E CB 0.032 29.360 29.700 -0.621 0.000 0.756 122 E HN 0.318 nan 8.360 nan 0.000 0.477 123 F N -0.901 119.145 119.950 0.159 0.000 2.643 123 F HA 0.435 4.963 4.527 0.001 0.000 0.314 123 F C -0.505 175.431 175.800 0.227 0.000 1.096 123 F CA -1.483 56.562 58.000 0.076 0.000 0.953 123 F CB 1.502 40.514 39.000 0.020 0.000 1.345 123 F HN -0.195 nan 8.300 nan 0.000 0.468 124 F N -1.230 118.910 119.950 0.316 0.000 2.685 124 F HA 0.572 5.100 4.527 0.002 0.000 0.315 124 F C -1.520 174.467 175.800 0.312 0.000 1.126 124 F CA -0.978 57.187 58.000 0.275 0.000 0.950 124 F CB 1.425 40.510 39.000 0.142 0.000 1.360 124 F HN 0.554 nan 8.300 nan 0.000 0.469 125 H N 1.100 120.496 119.070 0.544 0.000 2.466 125 H HA 0.695 5.251 4.556 0.001 0.000 0.338 125 H C -1.818 173.791 175.328 0.469 0.000 1.091 125 H CA -0.691 55.567 56.048 0.349 0.000 1.207 125 H CB 1.917 31.825 29.762 0.243 0.000 1.466 125 H HN 0.624 nan 8.280 nan 0.000 0.493 126 V N 7.301 127.253 119.914 0.063 0.000 2.350 126 V HA 0.091 4.211 4.120 0.001 0.000 0.285 126 V C 0.284 176.333 176.094 -0.075 0.000 1.014 126 V CA -1.151 61.242 62.300 0.154 0.000 0.831 126 V CB 1.041 32.969 31.823 0.175 0.000 1.000 126 V HN 0.816 nan 8.190 nan 0.000 0.433 127 N N 3.535 122.300 118.700 0.108 0.000 2.492 127 N HA 0.011 4.752 4.740 0.001 0.000 0.262 127 N C 0.060 175.633 175.510 0.105 0.000 1.202 127 N CA -0.051 53.088 53.050 0.149 0.000 0.926 127 N CB 0.872 39.467 38.487 0.181 0.000 1.078 127 N HN 0.721 nan 8.380 nan 0.000 0.454 128 D N 0.489 120.967 120.400 0.130 0.000 2.956 128 D HA -0.194 4.447 4.640 0.001 0.000 0.240 128 D C 1.020 177.376 176.300 0.093 0.000 1.141 128 D CA 0.728 54.819 54.000 0.151 0.000 0.820 128 D CB -0.878 40.024 40.800 0.170 0.000 0.988 128 D HN 0.729 nan 8.370 nan 0.000 0.417 129 A N 2.117 124.966 122.820 0.049 0.000 1.903 129 A HA -0.265 4.056 4.320 0.001 0.000 0.219 129 A C 1.874 179.446 177.584 -0.020 0.000 1.191 129 A CA 2.110 54.099 52.037 -0.080 0.000 0.638 129 A CB -0.180 18.770 19.000 -0.082 0.000 0.823 129 A HN 0.486 nan 8.150 nan 0.000 0.451 130 D N -0.959 119.550 120.400 0.180 0.000 2.218 130 D HA -0.083 4.558 4.640 0.001 0.000 0.204 130 D C 1.780 178.145 176.300 0.108 0.000 0.976 130 D CA 0.979 55.145 54.000 0.278 0.000 0.853 130 D CB -0.158 40.760 40.800 0.197 0.000 0.939 130 D HN 0.355 nan 8.370 nan 0.000 0.481 131 M N -0.443 119.146 119.600 -0.017 0.000 2.510 131 M HA 0.075 4.556 4.480 0.001 0.000 0.256 131 M C 0.651 176.888 176.300 -0.105 0.000 1.132 131 M CA 0.557 55.716 55.300 -0.235 0.000 1.105 131 M CB 0.146 32.430 32.600 -0.528 0.000 1.375 131 M HN -0.089 nan 8.290 nan 0.000 0.477 132 N N -0.050 118.660 118.700 0.017 0.000 2.159 132 N HA 0.328 5.069 4.740 0.001 0.000 0.217 132 N C -0.206 175.290 175.510 -0.023 0.000 1.223 132 N CA 0.138 53.233 53.050 0.075 0.000 0.896 132 N CB 1.812 40.389 38.487 0.150 0.000 1.064 132 N HN 0.243 nan 8.380 nan 0.000 0.518 133 L N 0.508 121.628 121.223 -0.172 0.000 2.330 133 L HA 0.801 5.142 4.340 0.001 0.000 0.271 133 L C -0.335 176.490 176.870 -0.074 0.000 1.013 133 L CA -0.923 53.706 54.840 -0.352 0.000 0.816 133 L CB 1.984 43.355 42.059 -1.147 0.000 1.287 133 L HN -0.127 nan 8.230 nan 0.000 0.435 134 A N 0.624 123.438 122.820 -0.010 0.000 2.386 134 A HA 0.558 4.879 4.320 0.001 0.000 0.311 134 A C -0.966 176.695 177.584 0.129 0.000 1.068 134 A CA -0.637 51.481 52.037 0.135 0.000 0.743 134 A CB 0.920 19.983 19.000 0.104 0.000 1.258 134 A HN 0.700 nan 8.150 nan 0.000 0.429 135 H N 1.190 120.432 119.070 0.288 0.000 2.764 135 H HA 0.167 4.724 4.556 0.001 0.000 0.341 135 H C -0.525 174.871 175.328 0.114 0.000 1.072 135 H CA 0.275 56.446 56.048 0.204 0.000 1.444 135 H CB 1.334 31.153 29.762 0.095 0.000 1.458 135 H HN 0.493 nan 8.280 nan 0.000 0.572 136 L N 7.023 128.373 121.223 0.213 0.000 2.283 136 L HA 0.282 4.623 4.340 0.001 0.000 0.287 136 L C -2.200 174.746 176.870 0.126 0.000 1.073 136 L CA -1.460 53.466 54.840 0.144 0.000 0.822 136 L CB 0.463 42.595 42.059 0.121 0.000 1.186 136 L HN 0.384 nan 8.230 nan 0.000 0.436 137 P HA 0.066 nan 4.420 nan 0.000 0.265 137 P C 0.016 177.388 177.300 0.119 0.000 1.193 137 P CA -0.119 63.039 63.100 0.097 0.000 0.765 137 P CB 0.413 32.180 31.700 0.111 0.000 0.823 138 K N 1.952 122.413 120.400 0.102 0.000 2.280 138 K HA -0.186 4.135 4.320 0.001 0.000 0.202 138 K C 0.739 177.391 176.600 0.087 0.000 1.047 138 K CA 1.494 57.832 56.287 0.085 0.000 0.942 138 K CB -0.199 32.341 32.500 0.066 0.000 0.739 138 K HN 0.226 nan 8.250 nan 0.000 0.457 139 E N 0.942 121.216 120.200 0.124 0.000 2.347 139 E HA 0.082 4.432 4.350 0.001 0.000 0.196 139 E C 0.076 176.704 176.600 0.047 0.000 1.008 139 E CA 0.527 56.971 56.400 0.074 0.000 0.852 139 E CB 0.035 29.772 29.700 0.062 0.000 0.783 139 E HN 0.388 nan 8.360 nan 0.000 0.505 140 I N 2.425 123.047 120.570 0.087 0.000 2.312 140 I HA 0.222 4.392 4.170 0.001 0.000 0.290 140 I C -2.167 173.983 176.117 0.055 0.000 1.008 140 I CA -2.510 58.831 61.300 0.069 0.000 1.226 140 I CB 1.085 39.145 38.000 0.100 0.000 1.371 140 I HN -0.169 nan 8.210 nan 0.000 0.468 141 P HA 0.139 nan 4.420 nan 0.000 0.272 141 P C 0.863 178.186 177.300 0.038 0.000 1.223 141 P CA -0.348 62.771 63.100 0.032 0.000 0.784 141 P CB 0.885 32.596 31.700 0.019 0.000 0.923 142 L N 0.786 122.031 121.223 0.037 0.000 2.079 142 L HA -0.244 4.097 4.340 0.001 0.000 0.210 142 L C 2.032 178.922 176.870 0.034 0.000 1.081 142 L CA 1.805 56.670 54.840 0.042 0.000 0.752 142 L CB -0.654 41.431 42.059 0.043 0.000 0.896 142 L HN 0.393 nan 8.230 nan 0.000 0.433 143 E N 0.074 120.287 120.200 0.021 0.000 2.072 143 E HA -0.166 4.185 4.350 0.001 0.000 0.191 143 E C 2.266 178.876 176.600 0.016 0.000 0.985 143 E CA 1.317 57.724 56.400 0.010 0.000 0.801 143 E CB -0.288 29.408 29.700 -0.006 0.000 0.750 143 E HN 0.464 nan 8.360 nan 0.000 0.452 144 A N 0.951 123.786 122.820 0.024 0.000 1.897 144 A HA 0.019 4.340 4.320 0.001 0.000 0.215 144 A C 2.356 179.959 177.584 0.032 0.000 1.181 144 A CA 1.545 53.602 52.037 0.032 0.000 0.620 144 A CB -0.780 18.246 19.000 0.043 0.000 0.821 144 A HN 0.275 nan 8.150 nan 0.000 0.443 145 A N -0.820 122.023 122.820 0.040 0.000 1.972 145 A HA -0.015 4.305 4.320 0.001 0.000 0.219 145 A C 2.146 179.750 177.584 0.033 0.000 1.169 145 A CA 1.639 53.702 52.037 0.044 0.000 0.635 145 A CB -0.829 18.206 19.000 0.059 0.000 0.810 145 A HN 0.673 nan 8.150 nan 0.000 0.446 146 V N -0.276 119.655 119.914 0.029 0.000 3.380 146 V HA -0.076 4.045 4.120 0.001 0.000 0.268 146 V C 1.809 177.904 176.094 0.002 0.000 1.168 146 V CA 1.215 63.529 62.300 0.022 0.000 1.156 146 V CB -0.486 31.354 31.823 0.029 0.000 0.785 146 V HN 0.504 nan 8.190 nan 0.000 0.487 147 M N -0.953 118.644 119.600 -0.006 0.000 2.558 147 M HA 0.165 4.646 4.480 0.001 0.000 0.255 147 M C 1.781 178.043 176.300 -0.063 0.000 1.113 147 M CA 1.178 56.459 55.300 -0.033 0.000 1.097 147 M CB -0.413 32.170 32.600 -0.028 0.000 1.426 147 M HN 0.321 nan 8.290 nan 0.000 0.488 148 I N 0.408 120.954 120.570 -0.040 0.000 2.406 148 I HA -0.124 4.046 4.170 0.001 0.000 0.249 148 I C -0.604 175.486 176.117 -0.045 0.000 1.122 148 I CA 0.922 62.190 61.300 -0.055 0.000 1.431 148 I CB -1.640 36.354 38.000 -0.009 0.000 1.087 148 I HN 0.117 nan 8.210 nan 0.000 0.424 149 P HA -0.132 nan 4.420 nan 0.000 0.225 149 P C 0.604 177.898 177.300 -0.010 0.000 1.148 149 P CA 1.553 64.658 63.100 0.008 0.000 0.779 149 P CB 0.176 31.892 31.700 0.027 0.000 0.780 150 D N -3.671 116.706 120.400 -0.039 0.000 2.574 150 D HA 0.021 4.662 4.640 0.001 0.000 0.166 150 D C 1.645 177.898 176.300 -0.080 0.000 1.445 150 D CA 0.299 54.269 54.000 -0.050 0.000 1.453 150 D CB -0.708 40.097 40.800 0.008 0.000 1.814 150 D HN -0.321 nan 8.370 nan 0.000 0.327 151 M N 0.774 120.327 119.600 -0.079 0.000 2.073 151 M HA -0.093 4.388 4.480 0.001 0.000 0.258 151 M C 2.468 178.661 176.300 -0.179 0.000 1.070 151 M CA 1.504 56.744 55.300 -0.101 0.000 1.103 151 M CB -1.143 31.405 32.600 -0.087 0.000 1.321 151 M HN 0.263 nan 8.290 nan 0.000 0.405 152 M N -0.858 118.581 119.600 -0.269 0.000 2.156 152 M HA -0.165 4.316 4.480 0.001 0.000 0.264 152 M C 2.277 178.264 176.300 -0.521 0.000 1.067 152 M CA 1.838 56.795 55.300 -0.572 0.000 1.131 152 M CB -0.184 32.058 32.600 -0.596 0.000 1.368 152 M HN 0.361 nan 8.290 nan 0.000 0.416 153 T N -0.678 113.730 114.554 -0.242 0.000 2.867 153 T HA -0.106 4.245 4.350 0.001 0.000 0.268 153 T C 1.478 176.177 174.700 -0.002 0.000 1.057 153 T CA 2.059 64.104 62.100 -0.093 0.000 1.136 153 T CB -0.245 68.590 68.868 -0.055 0.000 0.874 153 T HN 0.485 nan 8.240 nan 0.000 0.466 154 T N 0.452 114.987 114.554 -0.033 0.000 2.732 154 T HA 0.088 4.439 4.350 0.001 0.000 0.261 154 T C 2.070 176.829 174.700 0.099 0.000 1.040 154 T CA 1.270 63.389 62.100 0.031 0.000 1.145 154 T CB -1.046 67.808 68.868 -0.022 0.000 0.866 154 T HN 0.511 nan 8.240 nan 0.000 0.427 155 G N 1.038 109.871 108.800 0.055 0.000 2.446 155 G HA2 -0.169 3.791 3.960 0.001 0.000 0.217 155 G HA3 -0.169 3.791 3.960 0.001 0.000 0.217 155 G C 1.272 176.361 174.900 0.315 0.000 1.168 155 G CA 0.502 45.684 45.100 0.136 0.000 0.771 155 G HN 0.358 nan 8.290 nan 0.000 0.551 156 F N 0.598 120.576 119.950 0.046 0.000 2.171 156 F HA 0.022 4.550 4.527 0.001 0.000 0.300 156 F C 2.367 178.238 175.800 0.117 0.000 1.090 156 F CA 0.787 58.825 58.000 0.065 0.000 1.293 156 F CB -1.255 37.783 39.000 0.063 0.000 1.013 156 F HN 0.241 nan 8.300 nan 0.000 0.486 157 H N -0.047 119.149 119.070 0.211 0.000 2.422 157 H HA -0.063 4.494 4.556 0.002 0.000 0.298 157 H C 2.415 177.803 175.328 0.100 0.000 1.098 157 H CA 1.390 57.513 56.048 0.125 0.000 1.315 157 H CB -0.690 29.122 29.762 0.084 0.000 1.382 157 H HN 0.218 nan 8.280 nan 0.000 0.523 158 G N -0.381 108.487 108.800 0.113 0.000 2.418 158 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 158 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 158 G C 1.917 176.826 174.900 0.016 0.000 1.158 158 G CA 0.981 46.100 45.100 0.032 0.000 0.771 158 G HN 0.582 nan 8.290 nan 0.000 0.545 159 A N 0.698 123.549 122.820 0.051 0.000 1.969 159 A HA 0.069 4.390 4.320 0.001 0.000 0.218 159 A C 2.158 179.742 177.584 -0.001 0.000 1.169 159 A CA 1.800 53.844 52.037 0.012 0.000 0.635 159 A CB -0.257 18.729 19.000 -0.024 0.000 0.810 159 A HN 0.467 nan 8.150 nan 0.000 0.445 160 E N 0.002 120.214 120.200 0.020 0.000 2.046 160 E HA -0.094 4.256 4.350 0.001 0.000 0.190 160 E C 1.899 178.483 176.600 -0.026 0.000 0.982 160 E CA 1.044 57.458 56.400 0.023 0.000 0.800 160 E CB -0.306 29.463 29.700 0.116 0.000 0.756 160 E HN 0.583 nan 8.360 nan 0.000 0.449 161 L N 0.808 121.959 121.223 -0.120 0.000 2.079 161 L HA -0.186 4.155 4.340 0.001 0.000 0.210 161 L C 2.502 179.349 176.870 -0.039 0.000 1.081 161 L CA 0.934 55.700 54.840 -0.122 0.000 0.752 161 L CB -0.463 41.460 42.059 -0.227 0.000 0.896 161 L HN 0.158 nan 8.230 nan 0.000 0.433 162 A N -1.249 121.556 122.820 -0.026 0.000 2.178 162 A HA -0.213 4.108 4.320 0.001 0.000 0.218 162 A C 0.903 178.491 177.584 0.007 0.000 1.157 162 A CA 0.906 52.943 52.037 0.001 0.000 0.689 162 A CB -0.394 18.610 19.000 0.006 0.000 0.787 162 A HN 0.528 nan 8.150 nan 0.000 0.465 163 D N -0.923 119.479 120.400 0.004 0.000 2.735 163 D HA -0.154 4.487 4.640 0.001 0.000 0.235 163 D C -0.346 175.958 176.300 0.007 0.000 1.175 163 D CA 0.510 54.515 54.000 0.009 0.000 0.683 163 D CB -1.625 39.186 40.800 0.017 0.000 1.008 163 D HN 0.535 nan 8.370 nan 0.000 0.416 164 I N 1.166 121.736 120.570 0.000 0.000 2.618 164 I HA -0.038 4.132 4.170 0.001 0.000 0.284 164 I C 1.395 177.510 176.117 -0.003 0.000 1.146 164 I CA 0.356 61.654 61.300 -0.002 0.000 1.425 164 I CB 0.477 38.471 38.000 -0.010 0.000 1.383 164 I HN 0.064 nan 8.210 nan 0.000 0.562 165 E N 6.114 126.313 120.200 -0.002 0.000 2.319 165 E HA 0.350 4.700 4.350 0.001 0.000 0.268 165 E C -0.616 175.980 176.600 -0.006 0.000 1.050 165 E CA -0.706 55.692 56.400 -0.003 0.000 0.878 165 E CB 1.004 30.703 29.700 -0.002 0.000 1.066 165 E HN 0.451 nan 8.360 nan 0.000 0.406 166 M N 1.477 121.073 119.600 -0.007 0.000 2.246 166 M HA 0.118 4.599 4.480 0.001 0.000 0.350 166 M C 0.991 177.286 176.300 -0.008 0.000 1.406 166 M CA 0.723 56.018 55.300 -0.009 0.000 1.089 166 M CB 0.255 32.850 32.600 -0.010 0.000 1.782 166 M HN 0.979 nan 8.290 nan 0.000 0.457 167 G N 1.827 110.622 108.800 -0.008 0.000 2.179 167 G HA2 -0.243 3.717 3.960 0.001 0.000 0.260 167 G HA3 -0.243 3.717 3.960 0.001 0.000 0.260 167 G C 0.185 175.083 174.900 -0.004 0.000 0.977 167 G CA 0.420 45.516 45.100 -0.007 0.000 0.641 167 G HN 0.855 nan 8.290 nan 0.000 0.533 168 S N -0.169 115.529 115.700 -0.003 0.000 2.632 168 S HA 0.743 5.214 4.470 0.001 0.000 0.267 168 S C 0.520 175.121 174.600 0.002 0.000 1.276 168 S CA 0.597 58.797 58.200 -0.000 0.000 0.998 168 S CB 1.727 64.928 63.200 0.001 0.000 0.953 168 S HN 1.772 nan 8.310 nan 0.000 0.547 169 S N 0.344 116.047 115.700 0.005 0.000 2.554 169 S HA 0.688 5.159 4.470 0.001 0.000 0.278 169 S C -0.576 174.030 174.600 0.011 0.000 1.242 169 S CA -0.732 57.472 58.200 0.007 0.000 1.051 169 S CB 0.765 63.969 63.200 0.008 0.000 0.986 169 S HN 0.786 nan 8.310 nan 0.000 0.502 170 V N 2.780 122.701 119.914 0.011 0.000 2.638 170 V HA 0.483 4.604 4.120 0.001 0.000 0.306 170 V C -0.556 175.548 176.094 0.017 0.000 1.052 170 V CA -0.801 61.508 62.300 0.015 0.000 0.885 170 V CB 1.936 33.768 31.823 0.014 0.000 0.999 170 V HN 0.857 nan 8.190 nan 0.000 0.424 171 V N 4.892 124.818 119.914 0.020 0.000 2.435 171 V HA 0.490 4.610 4.120 0.001 0.000 0.290 171 V C -0.261 175.848 176.094 0.025 0.000 1.030 171 V CA -0.506 61.805 62.300 0.018 0.000 0.881 171 V CB 2.008 33.840 31.823 0.013 0.000 0.983 171 V HN 0.625 nan 8.190 nan 0.000 0.445 172 V N 6.671 126.601 119.914 0.026 0.000 2.357 172 V HA 0.455 4.575 4.120 0.001 0.000 0.284 172 V C -0.065 176.049 176.094 0.034 0.000 1.018 172 V CA -0.374 61.948 62.300 0.036 0.000 0.841 172 V CB 1.540 33.389 31.823 0.044 0.000 0.991 172 V HN 0.655 nan 8.190 nan 0.000 0.437 173 I N 4.898 125.493 120.570 0.042 0.000 2.297 173 I HA 0.670 4.841 4.170 0.001 0.000 0.291 173 I C 0.787 176.943 176.117 0.066 0.000 1.033 173 I CA 0.019 61.348 61.300 0.050 0.000 1.253 173 I CB 0.983 39.022 38.000 0.066 0.000 1.396 173 I HN 0.853 nan 8.210 nan 0.000 0.476 174 G N 6.680 115.523 108.800 0.072 0.000 3.367 174 G HA2 -0.088 3.872 3.960 0.001 0.000 0.686 174 G HA3 -0.088 3.872 3.960 0.001 0.000 0.686 174 G C -0.520 174.416 174.900 0.060 0.000 1.146 174 G CA -0.624 44.519 45.100 0.072 0.000 0.913 174 G HN 0.896 nan 8.290 nan 0.000 0.554 175 I N 0.687 121.295 120.570 0.062 0.000 3.326 175 I HA 0.580 4.751 4.170 0.001 0.000 0.336 175 I C 0.914 177.068 176.117 0.061 0.000 1.543 175 I CA -0.216 61.124 61.300 0.066 0.000 1.013 175 I CB 0.349 38.394 38.000 0.076 0.000 1.468 175 I HN 0.732 nan 8.210 nan 0.000 0.515 176 G N 0.877 109.703 108.800 0.044 0.000 2.570 176 G HA2 0.402 4.362 3.960 0.001 0.000 0.276 176 G HA3 0.402 4.362 3.960 0.001 0.000 0.276 176 G C 1.022 175.939 174.900 0.030 0.000 1.346 176 G CA 0.136 45.255 45.100 0.031 0.000 1.034 176 G HN 0.415 nan 8.290 nan 0.000 0.512 177 A N -1.288 121.541 122.820 0.015 0.000 1.892 177 A HA -0.084 4.237 4.320 0.001 0.000 0.218 177 A C 2.605 180.179 177.584 -0.016 0.000 1.188 177 A CA 2.337 54.376 52.037 0.002 0.000 0.631 177 A CB -0.905 18.089 19.000 -0.011 0.000 0.822 177 A HN 0.564 nan 8.150 nan 0.000 0.447 178 V N -0.160 119.750 119.914 -0.007 0.000 2.287 178 V HA -0.214 3.906 4.120 0.001 0.000 0.248 178 V C 2.822 178.925 176.094 0.016 0.000 1.053 178 V CA 2.127 64.426 62.300 -0.003 0.000 1.027 178 V CB -1.473 30.357 31.823 0.011 0.000 0.646 178 V HN 0.649 nan 8.190 nan 0.000 0.447 179 G N -0.423 108.394 108.800 0.029 0.000 2.422 179 G HA2 -0.201 3.760 3.960 0.001 0.000 0.218 179 G HA3 -0.201 3.760 3.960 0.001 0.000 0.218 179 G C 1.570 176.497 174.900 0.045 0.000 1.146 179 G CA 0.916 46.042 45.100 0.044 0.000 0.769 179 G HN 0.481 nan 8.290 nan 0.000 0.547 180 L N -0.027 121.215 121.223 0.031 0.000 2.046 180 L HA -0.050 4.290 4.340 0.001 0.000 0.208 180 L C 3.007 179.805 176.870 -0.121 0.000 1.077 180 L CA 0.756 55.608 54.840 0.021 0.000 0.747 180 L CB -0.337 41.761 42.059 0.065 0.000 0.896 180 L HN 0.136 nan 8.230 nan 0.000 0.432 181 M N -0.402 119.126 119.600 -0.120 0.000 2.296 181 M HA -0.047 4.434 4.480 0.001 0.000 0.265 181 M C 2.342 178.747 176.300 0.175 0.000 1.064 181 M CA 1.449 56.728 55.300 -0.035 0.000 1.109 181 M CB -1.490 31.043 32.600 -0.111 0.000 1.396 181 M HN 0.317 nan 8.290 nan 0.000 0.430 182 G N 0.526 109.389 108.800 0.106 0.000 2.418 182 G HA2 -0.154 3.807 3.960 0.001 0.000 0.217 182 G HA3 -0.154 3.807 3.960 0.001 0.000 0.217 182 G C 1.667 176.614 174.900 0.078 0.000 1.158 182 G CA 0.436 45.602 45.100 0.110 0.000 0.771 182 G HN 0.410 nan 8.290 nan 0.000 0.545 183 I N 1.362 121.974 120.570 0.071 0.000 2.142 183 I HA -0.178 3.993 4.170 0.001 0.000 0.240 183 I C 3.319 179.477 176.117 0.070 0.000 1.078 183 I CA 1.065 62.410 61.300 0.076 0.000 1.343 183 I CB -0.240 37.830 38.000 0.118 0.000 1.046 183 I HN 0.240 nan 8.210 nan 0.000 0.405 184 A N 0.872 123.741 122.820 0.081 0.000 1.883 184 A HA -0.171 4.150 4.320 0.001 0.000 0.217 184 A C 2.433 179.977 177.584 -0.068 0.000 1.186 184 A CA 2.071 54.160 52.037 0.086 0.000 0.624 184 A CB -1.553 17.514 19.000 0.112 0.000 0.822 184 A HN 0.483 nan 8.150 nan 0.000 0.444 185 G N -0.622 108.104 108.800 -0.124 0.000 2.446 185 G HA2 -0.017 3.944 3.960 0.001 0.000 0.217 185 G HA3 -0.017 3.944 3.960 0.001 0.000 0.217 185 G C 1.752 176.511 174.900 -0.235 0.000 1.168 185 G CA 1.547 46.365 45.100 -0.469 0.000 0.771 185 G HN 0.846 nan 8.290 nan 0.000 0.551 186 A N 0.636 123.403 122.820 -0.088 0.000 1.933 186 A HA 0.005 4.325 4.320 0.001 0.000 0.218 186 A C 2.208 179.758 177.584 -0.057 0.000 1.175 186 A CA 2.103 54.108 52.037 -0.053 0.000 0.628 186 A CB -0.395 18.599 19.000 -0.010 0.000 0.814 186 A HN 0.429 nan 8.150 nan 0.000 0.444 187 K N -0.195 120.176 120.400 -0.049 0.000 2.097 187 K HA -0.005 4.316 4.320 0.001 0.000 0.205 187 K C 1.486 178.046 176.600 -0.067 0.000 1.050 187 K CA 1.173 57.436 56.287 -0.040 0.000 0.938 187 K CB -0.278 32.213 32.500 -0.015 0.000 0.718 187 K HN 0.457 nan 8.250 nan 0.000 0.442 188 L N 0.782 121.932 121.223 -0.121 0.000 2.622 188 L HA 0.007 4.348 4.340 0.001 0.000 0.233 188 L C 1.709 178.503 176.870 -0.127 0.000 1.156 188 L CA 0.156 54.911 54.840 -0.142 0.000 0.866 188 L CB -0.003 41.905 42.059 -0.253 0.000 0.980 188 L HN 0.064 nan 8.230 nan 0.000 0.448 189 R N -0.016 120.419 120.500 -0.107 0.000 2.362 189 R HA 0.248 4.589 4.340 0.001 0.000 0.227 189 R C 1.050 177.323 176.300 -0.045 0.000 0.905 189 R CA 0.612 56.669 56.100 -0.072 0.000 1.067 189 R CB 0.523 30.783 30.300 -0.066 0.000 1.078 189 R HN 0.285 nan 8.270 nan 0.000 0.516 190 G N 0.735 109.510 108.800 -0.043 0.000 2.140 190 G HA2 -0.242 3.718 3.960 0.001 0.000 0.211 190 G HA3 -0.242 3.718 3.960 0.001 0.000 0.211 190 G C 0.212 175.099 174.900 -0.021 0.000 1.013 190 G CA 0.045 45.128 45.100 -0.028 0.000 0.705 190 G HN 0.492 nan 8.290 nan 0.000 0.508 191 A N -0.242 122.565 122.820 -0.022 0.000 2.445 191 A HA 0.741 5.062 4.320 0.001 0.000 0.242 191 A C 1.522 179.099 177.584 -0.010 0.000 1.075 191 A CA 1.315 53.344 52.037 -0.013 0.000 0.777 191 A CB 0.467 19.461 19.000 -0.010 0.000 1.013 191 A HN 1.543 nan 8.150 nan 0.000 0.493 192 G N 0.656 109.452 108.800 -0.006 0.000 2.672 192 G HA2 0.188 4.149 3.960 0.001 0.000 0.200 192 G HA3 0.188 4.149 3.960 0.001 0.000 0.200 192 G C 0.686 175.584 174.900 -0.002 0.000 1.819 192 G CA -0.139 44.957 45.100 -0.005 0.000 0.902 192 G HN 0.874 nan 8.290 nan 0.000 0.512 193 R N 0.284 120.784 120.500 0.000 0.000 2.522 193 R HA 0.293 4.634 4.340 0.001 0.000 0.284 193 R C -0.756 175.548 176.300 0.006 0.000 1.032 193 R CA 0.232 56.334 56.100 0.003 0.000 1.049 193 R CB -0.070 30.232 30.300 0.003 0.000 0.956 193 R HN 0.248 nan 8.270 nan 0.000 0.422 194 I N 6.729 127.305 120.570 0.009 0.000 2.439 194 I HA 0.265 4.436 4.170 0.001 0.000 0.285 194 I C -0.479 175.648 176.117 0.017 0.000 1.021 194 I CA -0.654 60.655 61.300 0.015 0.000 1.091 194 I CB 1.813 39.827 38.000 0.022 0.000 1.242 194 I HN 0.513 nan 8.210 nan 0.000 0.439 195 I N 5.421 126.000 120.570 0.014 0.000 2.312 195 I HA 0.405 4.575 4.170 0.001 0.000 0.290 195 I C 0.796 176.919 176.117 0.011 0.000 1.008 195 I CA -0.234 61.072 61.300 0.009 0.000 1.226 195 I CB 1.487 39.486 38.000 -0.001 0.000 1.371 195 I HN 0.603 nan 8.210 nan 0.000 0.468 196 G N 5.625 114.435 108.800 0.016 0.000 2.348 196 G HA2 0.563 4.523 3.960 0.001 0.000 0.312 196 G HA3 0.563 4.523 3.960 0.001 0.000 0.312 196 G C -0.703 174.195 174.900 -0.004 0.000 1.126 196 G CA -0.322 44.791 45.100 0.022 0.000 0.865 196 G HN 0.351 nan 8.290 nan 0.000 0.474 197 V N 1.619 121.527 119.914 -0.009 0.000 2.378 197 V HA 0.914 5.034 4.120 0.001 0.000 0.288 197 V C 0.636 176.735 176.094 0.010 0.000 1.016 197 V CA 0.391 62.658 62.300 -0.055 0.000 0.840 197 V CB 0.643 32.391 31.823 -0.123 0.000 0.994 197 V HN 1.362 nan 8.190 nan 0.000 0.431 198 G N 3.072 111.885 108.800 0.022 0.000 2.316 198 G HA2 0.443 4.404 3.960 0.001 0.000 0.296 198 G HA3 0.443 4.404 3.960 0.001 0.000 0.296 198 G C -0.041 174.899 174.900 0.067 0.000 1.399 198 G CA 0.228 45.377 45.100 0.081 0.000 0.833 198 G HN 0.817 nan 8.290 nan 0.000 0.565 199 S N -1.275 114.469 115.700 0.073 0.000 2.818 199 S HA 0.233 4.703 4.470 0.001 0.000 0.251 199 S C 0.730 175.355 174.600 0.040 0.000 1.083 199 S CA -0.152 58.082 58.200 0.056 0.000 0.871 199 S CB 0.247 63.487 63.200 0.067 0.000 0.831 199 S HN 0.660 nan 8.310 nan 0.000 0.470 200 R N 2.838 123.361 120.500 0.039 0.000 2.458 200 R HA 0.227 4.568 4.340 0.001 0.000 0.303 200 R C -2.040 174.278 176.300 0.030 0.000 1.013 200 R CA -1.124 54.994 56.100 0.030 0.000 1.026 200 R CB -0.198 30.118 30.300 0.027 0.000 0.948 200 R HN 0.211 nan 8.270 nan 0.000 0.417 201 P HA -0.223 nan 4.420 nan 0.000 0.216 201 P C 1.065 178.378 177.300 0.021 0.000 1.150 201 P CA 1.156 64.268 63.100 0.020 0.000 0.843 201 P CB 0.110 31.818 31.700 0.013 0.000 0.787 202 I N -1.336 119.246 120.570 0.020 0.000 2.315 202 I HA -0.254 3.917 4.170 0.001 0.000 0.248 202 I C 1.700 177.837 176.117 0.032 0.000 1.117 202 I CA 1.351 62.661 61.300 0.017 0.000 1.404 202 I CB -0.222 37.787 38.000 0.015 0.000 1.071 202 I HN 0.002 nan 8.210 nan 0.000 0.419 203 C N -0.291 119.036 119.300 0.045 0.000 2.425 203 C HA -0.121 4.340 4.460 0.001 0.000 0.277 203 C C 2.741 177.775 174.990 0.074 0.000 1.280 203 C CA 0.621 59.678 59.018 0.066 0.000 1.744 203 C CB -0.837 26.939 27.740 0.061 0.000 1.989 203 C HN 0.413 nan 8.230 nan 0.000 0.491 204 V N 1.037 120.985 119.914 0.055 0.000 2.295 204 V HA -0.190 3.930 4.120 0.001 0.000 0.246 204 V C 2.591 178.720 176.094 0.058 0.000 1.049 204 V CA 1.921 64.252 62.300 0.053 0.000 1.024 204 V CB -0.630 31.215 31.823 0.038 0.000 0.648 204 V HN 0.494 nan 8.190 nan 0.000 0.447 205 E N 0.430 120.656 120.200 0.043 0.000 2.051 205 E HA -0.198 4.152 4.350 0.001 0.000 0.192 205 E C 2.376 179.010 176.600 0.057 0.000 0.991 205 E CA 1.631 58.053 56.400 0.037 0.000 0.799 205 E CB -0.726 28.977 29.700 0.006 0.000 0.748 205 E HN 0.562 nan 8.360 nan 0.000 0.449 206 A N 1.467 124.323 122.820 0.059 0.000 1.940 206 A HA -0.119 4.202 4.320 0.001 0.000 0.219 206 A C 2.420 180.141 177.584 0.229 0.000 1.176 206 A CA 2.207 54.301 52.037 0.095 0.000 0.631 206 A CB -0.592 18.502 19.000 0.157 0.000 0.814 206 A HN 0.271 nan 8.150 nan 0.000 0.446 207 A N -0.077 122.866 122.820 0.206 0.000 1.902 207 A HA -0.170 4.151 4.320 0.001 0.000 0.217 207 A C 2.107 179.794 177.584 0.172 0.000 1.181 207 A CA 1.821 53.988 52.037 0.216 0.000 0.623 207 A CB -0.431 18.652 19.000 0.138 0.000 0.818 207 A HN 0.565 nan 8.150 nan 0.000 0.443 208 K N -1.460 119.012 120.400 0.119 0.000 2.026 208 K HA -0.134 4.187 4.320 0.001 0.000 0.208 208 K C 1.804 178.447 176.600 0.072 0.000 1.048 208 K CA 1.599 57.935 56.287 0.081 0.000 0.929 208 K CB -0.412 32.126 32.500 0.063 0.000 0.713 208 K HN 0.488 nan 8.250 nan 0.000 0.439 209 F N 0.701 120.599 119.950 -0.087 0.000 2.120 209 F HA -0.256 4.271 4.527 0.001 0.000 0.300 209 F C 1.653 177.337 175.800 -0.193 0.000 1.095 209 F CA 1.516 59.399 58.000 -0.196 0.000 1.249 209 F CB -0.138 38.648 39.000 -0.357 0.000 0.995 209 F HN 0.007 nan 8.300 nan 0.000 0.480 210 Y N -0.130 120.240 120.300 0.115 0.000 2.544 210 Y HA 0.254 4.805 4.550 0.001 0.000 0.286 210 Y C 1.983 177.863 175.900 -0.032 0.000 1.141 210 Y CA 0.549 58.667 58.100 0.030 0.000 1.299 210 Y CB 0.063 38.618 38.460 0.158 0.000 1.030 210 Y HN 0.230 nan 8.280 nan 0.000 0.543 211 G N -1.465 107.385 108.800 0.083 0.000 2.559 211 G HA2 -0.005 3.955 3.960 0.001 0.000 0.202 211 G HA3 -0.005 3.955 3.960 0.001 0.000 0.202 211 G C 0.111 175.034 174.900 0.040 0.000 0.992 211 G CA -0.436 44.684 45.100 0.035 0.000 0.764 211 G HN 0.428 nan 8.290 nan 0.000 0.525 212 A N 1.177 124.036 122.820 0.065 0.000 2.492 212 A HA 0.584 4.904 4.320 0.001 0.000 0.254 212 A C 1.555 179.157 177.584 0.030 0.000 1.091 212 A CA 1.502 53.569 52.037 0.050 0.000 0.768 212 A CB 0.271 19.309 19.000 0.065 0.000 1.028 212 A HN 1.248 nan 8.150 nan 0.000 0.498 213 T N -0.743 113.822 114.554 0.019 0.000 3.037 213 T HA 0.254 4.605 4.350 0.001 0.000 0.251 213 T C -0.074 174.632 174.700 0.011 0.000 1.079 213 T CA 0.840 62.947 62.100 0.011 0.000 1.067 213 T CB -0.250 68.622 68.868 0.006 0.000 0.948 213 T HN 0.616 nan 8.240 nan 0.000 0.496 214 D N 0.037 120.444 120.400 0.012 0.000 2.661 214 D HA 0.607 5.247 4.640 0.001 0.000 0.228 214 D C -1.301 175.004 176.300 0.009 0.000 1.183 214 D CA -0.653 53.352 54.000 0.008 0.000 0.844 214 D CB 1.734 42.535 40.800 0.002 0.000 1.555 214 D HN 0.009 nan 8.370 nan 0.000 0.453 215 I N 1.709 122.281 120.570 0.005 0.000 2.499 215 I HA 0.365 4.536 4.170 0.001 0.000 0.288 215 I C -0.969 175.139 176.117 -0.015 0.000 1.048 215 I CA -0.457 60.844 61.300 0.002 0.000 1.062 215 I CB 1.440 39.448 38.000 0.014 0.000 1.238 215 I HN 0.315 nan 8.210 nan 0.000 0.426 216 L N 5.586 126.787 121.223 -0.038 0.000 2.334 216 L HA 0.539 4.879 4.340 0.001 0.000 0.276 216 L C -0.089 176.728 176.870 -0.088 0.000 1.014 216 L CA -0.640 54.158 54.840 -0.070 0.000 0.815 216 L CB 2.087 44.081 42.059 -0.108 0.000 1.268 216 L HN 0.498 nan 8.230 nan 0.000 0.428 217 N N 0.695 119.350 118.700 -0.074 0.000 2.314 217 N HA 0.200 4.941 4.740 0.001 0.000 0.294 217 N C 0.311 175.793 175.510 -0.047 0.000 1.029 217 N CA -0.406 52.623 53.050 -0.034 0.000 0.845 217 N CB 1.280 39.775 38.487 0.012 0.000 1.321 217 N HN 0.397 nan 8.380 nan 0.000 0.481 218 Y N 2.343 122.621 120.300 -0.037 0.000 2.298 218 Y HA -0.181 4.368 4.550 -0.000 0.000 0.287 218 Y C 1.868 177.740 175.900 -0.046 0.000 1.164 218 Y CA 1.458 59.519 58.100 -0.064 0.000 1.229 218 Y CB 0.172 38.587 38.460 -0.076 0.000 0.977 218 Y HN 0.539 nan 8.280 nan 0.000 0.538 219 K N -0.168 120.299 120.400 0.112 0.000 2.147 219 K HA -0.121 4.199 4.320 0.001 0.000 0.205 219 K C 0.814 177.439 176.600 0.043 0.000 1.049 219 K CA 1.252 57.579 56.287 0.066 0.000 0.936 219 K CB -0.135 32.393 32.500 0.048 0.000 0.722 219 K HN 0.305 nan 8.250 nan 0.000 0.446 220 N N 0.691 119.407 118.700 0.026 0.000 2.375 220 N HA 0.078 4.819 4.740 0.001 0.000 0.220 220 N C 0.178 175.700 175.510 0.021 0.000 1.170 220 N CA 0.582 53.643 53.050 0.018 0.000 0.833 220 N CB 1.006 39.497 38.487 0.006 0.000 1.069 220 N HN 0.295 nan 8.380 nan 0.000 0.479 221 G N -0.227 108.593 108.800 0.034 0.000 2.423 221 G HA2 -0.172 3.788 3.960 0.001 0.000 0.684 221 G HA3 -0.172 3.788 3.960 0.001 0.000 0.684 221 G C -1.176 173.761 174.900 0.061 0.000 1.309 221 G CA -0.918 44.215 45.100 0.055 0.000 0.950 221 G HN 0.329 nan 8.290 nan 0.000 0.587 222 H N 0.711 119.802 119.070 0.036 0.000 2.928 222 H HA 0.161 4.718 4.556 0.003 0.000 0.338 222 H C 1.798 177.121 175.328 -0.009 0.000 1.047 222 H CA 0.166 56.239 56.048 0.042 0.000 1.435 222 H CB 0.551 30.341 29.762 0.046 0.000 1.428 222 H HN 0.355 nan 8.280 nan 0.000 0.590 223 I N 5.256 125.743 120.570 -0.138 0.000 2.194 223 I HA -0.288 3.883 4.170 0.001 0.000 0.246 223 I C 2.606 178.761 176.117 0.063 0.000 1.093 223 I CA 0.793 62.012 61.300 -0.134 0.000 1.355 223 I CB -0.839 36.958 38.000 -0.339 0.000 1.046 223 I HN 0.427 nan 8.210 nan 0.000 0.413 224 V N 0.977 121.059 119.914 0.281 0.000 2.343 224 V HA -0.262 3.858 4.120 0.001 0.000 0.247 224 V C 2.199 178.343 176.094 0.084 0.000 1.051 224 V CA 1.839 64.230 62.300 0.152 0.000 1.036 224 V CB -0.653 31.239 31.823 0.115 0.000 0.654 224 V HN 0.334 nan 8.190 nan 0.000 0.451 225 D N -0.296 120.163 120.400 0.099 0.000 2.097 225 D HA -0.170 4.471 4.640 0.001 0.000 0.195 225 D C 2.351 178.673 176.300 0.037 0.000 0.989 225 D CA 1.205 55.238 54.000 0.055 0.000 0.827 225 D CB -0.312 40.527 40.800 0.064 0.000 0.966 225 D HN 0.515 nan 8.370 nan 0.000 0.456 226 Q N 0.310 120.130 119.800 0.032 0.000 2.077 226 Q HA -0.123 4.218 4.340 0.001 0.000 0.206 226 Q C 2.408 178.409 176.000 0.001 0.000 0.989 226 Q CA 1.066 56.872 55.803 0.005 0.000 0.853 226 Q CB -0.134 28.589 28.738 -0.024 0.000 0.907 226 Q HN 0.186 nan 8.270 nan 0.000 0.418 227 V N 0.643 120.559 119.914 0.004 0.000 2.427 227 V HA -0.230 3.891 4.120 0.001 0.000 0.248 227 V C 2.161 178.262 176.094 0.011 0.000 1.051 227 V CA 1.229 63.531 62.300 0.004 0.000 1.048 227 V CB -0.354 31.474 31.823 0.008 0.000 0.666 227 V HN 0.387 nan 8.190 nan 0.000 0.456 228 M N -0.111 119.500 119.600 0.017 0.000 2.213 228 M HA -0.139 4.342 4.480 0.001 0.000 0.263 228 M C 2.068 178.375 176.300 0.011 0.000 1.062 228 M CA 1.535 56.844 55.300 0.015 0.000 1.105 228 M CB -1.253 31.357 32.600 0.017 0.000 1.385 228 M HN 0.348 nan 8.290 nan 0.000 0.417 229 K N 0.600 121.007 120.400 0.011 0.000 2.025 229 K HA -0.076 4.244 4.320 0.001 0.000 0.207 229 K C 1.965 178.568 176.600 0.006 0.000 1.049 229 K CA 1.011 57.303 56.287 0.008 0.000 0.933 229 K CB -0.107 32.398 32.500 0.008 0.000 0.714 229 K HN 0.261 nan 8.250 nan 0.000 0.438 230 L N 0.921 122.147 121.223 0.004 0.000 2.187 230 L HA -0.123 4.218 4.340 0.001 0.000 0.213 230 L C 1.876 178.749 176.870 0.004 0.000 1.100 230 L CA 1.689 56.531 54.840 0.002 0.000 0.765 230 L CB -0.483 41.576 42.059 -0.000 0.000 0.904 230 L HN 0.467 nan 8.230 nan 0.000 0.437 231 T N -4.921 109.636 114.554 0.006 0.000 3.174 231 T HA 0.075 4.426 4.350 0.001 0.000 0.269 231 T C 0.790 175.494 174.700 0.006 0.000 1.017 231 T CA -0.290 61.814 62.100 0.006 0.000 0.899 231 T CB -0.354 68.519 68.868 0.008 0.000 1.077 231 T HN 0.398 nan 8.240 nan 0.000 0.552 232 N N 1.076 119.779 118.700 0.006 0.000 2.727 232 N HA -0.253 4.488 4.740 0.001 0.000 0.249 232 N C 1.053 176.567 175.510 0.007 0.000 1.048 232 N CA 0.536 53.589 53.050 0.006 0.000 0.714 232 N CB -1.403 37.087 38.487 0.004 0.000 0.959 232 N HN 1.034 nan 8.380 nan 0.000 0.544 233 G N -0.466 108.339 108.800 0.008 0.000 2.168 233 G HA2 -0.342 3.618 3.960 0.001 0.000 0.263 233 G HA3 -0.342 3.618 3.960 0.001 0.000 0.263 233 G C 0.719 175.625 174.900 0.011 0.000 0.977 233 G CA 0.993 46.098 45.100 0.010 0.000 0.659 233 G HN 0.610 nan 8.290 nan 0.000 0.533 234 K N 0.167 120.573 120.400 0.010 0.000 2.379 234 K HA 0.442 4.763 4.320 0.001 0.000 0.194 234 K C 1.712 178.321 176.600 0.015 0.000 1.031 234 K CA 0.571 56.864 56.287 0.011 0.000 1.037 234 K CB 0.228 32.733 32.500 0.008 0.000 0.824 234 K HN 1.418 nan 8.250 nan 0.000 0.516 235 G N 1.095 109.905 108.800 0.016 0.000 2.750 235 G HA2 -0.255 3.706 3.960 0.001 0.000 0.228 235 G HA3 -0.255 3.706 3.960 0.001 0.000 0.228 235 G C -0.308 174.603 174.900 0.019 0.000 1.367 235 G CA -0.354 44.758 45.100 0.021 0.000 0.871 235 G HN 0.286 nan 8.290 nan 0.000 0.560 236 V N -3.447 116.481 119.914 0.023 0.000 3.046 236 V HA 0.792 4.913 4.120 0.001 0.000 0.316 236 V C 0.905 177.014 176.094 0.025 0.000 1.104 236 V CA 0.323 62.636 62.300 0.021 0.000 1.006 236 V CB 1.987 33.822 31.823 0.020 0.000 1.058 236 V HN 0.703 nan 8.190 nan 0.000 0.440 237 D N 0.667 121.079 120.400 0.020 0.000 2.149 237 D HA 0.057 4.698 4.640 0.001 0.000 0.201 237 D C 0.431 176.748 176.300 0.028 0.000 0.972 237 D CA 1.276 55.289 54.000 0.021 0.000 0.835 237 D CB 0.255 41.063 40.800 0.014 0.000 0.966 237 D HN 0.428 nan 8.370 nan 0.000 0.476 238 R N -0.156 120.361 120.500 0.028 0.000 2.668 238 R HA 0.532 4.873 4.340 0.001 0.000 0.272 238 R C -1.023 175.297 176.300 0.033 0.000 1.019 238 R CA -0.729 55.390 56.100 0.032 0.000 0.894 238 R CB 2.323 32.637 30.300 0.024 0.000 1.228 238 R HN -0.225 nan 8.270 nan 0.000 0.460 239 V N 3.459 123.397 119.914 0.040 0.000 2.656 239 V HA 0.570 4.690 4.120 0.001 0.000 0.307 239 V C -0.012 176.106 176.094 0.041 0.000 1.051 239 V CA -0.761 61.563 62.300 0.040 0.000 0.893 239 V CB 2.497 34.348 31.823 0.047 0.000 0.999 239 V HN 0.554 nan 8.190 nan 0.000 0.426 240 I N 4.726 125.320 120.570 0.041 0.000 2.362 240 I HA 0.467 4.638 4.170 0.001 0.000 0.289 240 I C -0.355 175.794 176.117 0.054 0.000 0.994 240 I CA -0.392 60.935 61.300 0.045 0.000 1.158 240 I CB 1.791 39.816 38.000 0.043 0.000 1.315 240 I HN 0.455 nan 8.210 nan 0.000 0.451 241 M N 5.828 125.466 119.600 0.064 0.000 2.063 241 M HA 0.412 4.893 4.480 0.001 0.000 0.348 241 M C 0.389 176.730 176.300 0.068 0.000 1.180 241 M CA -0.035 55.310 55.300 0.075 0.000 1.059 241 M CB 1.537 34.200 32.600 0.105 0.000 1.544 241 M HN 0.745 nan 8.290 nan 0.000 0.447 242 A N 2.835 125.687 122.820 0.053 0.000 2.585 242 A HA 0.723 5.044 4.320 0.001 0.000 0.266 242 A C 0.453 178.053 177.584 0.026 0.000 1.178 242 A CA 0.093 52.157 52.037 0.044 0.000 0.966 242 A CB 0.466 19.495 19.000 0.049 0.000 1.170 242 A HN 0.884 nan 8.150 nan 0.000 0.558 243 G N -2.413 106.395 108.800 0.012 0.000 2.328 243 G HA2 0.643 4.604 3.960 0.001 0.000 0.295 243 G HA3 0.643 4.604 3.960 0.001 0.000 0.295 243 G C 0.029 174.927 174.900 -0.002 0.000 1.413 243 G CA 0.384 45.481 45.100 -0.005 0.000 0.817 243 G HN 2.065 nan 8.290 nan 0.000 0.546 244 G N -1.672 107.116 108.800 -0.020 0.000 2.631 244 G HA2 0.523 4.484 3.960 0.001 0.000 0.504 244 G HA3 0.523 4.484 3.960 0.001 0.000 0.504 244 G C 0.569 175.432 174.900 -0.061 0.000 1.306 244 G CA 0.448 45.536 45.100 -0.020 0.000 0.897 244 G HN 2.170 nan 8.290 nan 0.000 0.520 245 G N -1.289 107.490 108.800 -0.036 0.000 2.563 245 G HA2 0.631 4.592 3.960 0.001 0.000 0.283 245 G HA3 0.631 4.592 3.960 0.001 0.000 0.283 245 G C 1.556 176.512 174.900 0.093 0.000 1.309 245 G CA 1.043 46.139 45.100 -0.007 0.000 1.022 245 G HN 2.044 nan 8.290 nan 0.000 0.501 246 S N -0.461 115.326 115.700 0.145 0.000 2.447 246 S HA -0.125 4.346 4.470 0.001 0.000 0.233 246 S C 1.793 176.442 174.600 0.082 0.000 1.006 246 S CA 1.487 59.787 58.200 0.165 0.000 0.957 246 S CB -0.186 63.052 63.200 0.063 0.000 0.773 246 S HN 0.740 nan 8.310 nan 0.000 0.507 247 E N 1.684 121.921 120.200 0.062 0.000 2.396 247 E HA -0.141 4.210 4.350 0.001 0.000 0.200 247 E C 1.250 177.908 176.600 0.096 0.000 1.023 247 E CA 1.318 57.756 56.400 0.064 0.000 0.857 247 E CB -1.418 28.319 29.700 0.062 0.000 0.775 247 E HN 0.484 nan 8.360 nan 0.000 0.525 248 T N 1.495 116.115 114.554 0.110 0.000 2.833 248 T HA -0.100 4.250 4.350 0.001 0.000 0.269 248 T C 1.678 176.437 174.700 0.099 0.000 1.054 248 T CA 1.127 63.303 62.100 0.127 0.000 1.135 248 T CB -0.241 68.707 68.868 0.134 0.000 0.869 248 T HN 0.149 nan 8.240 nan 0.000 0.466 249 L N 1.037 122.303 121.223 0.071 0.000 2.017 249 L HA 0.020 4.361 4.340 0.001 0.000 0.208 249 L C 2.566 179.438 176.870 0.003 0.000 1.073 249 L CA 1.888 56.739 54.840 0.018 0.000 0.745 249 L CB -1.128 40.905 42.059 -0.044 0.000 0.894 249 L HN 0.160 nan 8.230 nan 0.000 0.432 250 S N -1.165 114.541 115.700 0.010 0.000 2.368 250 S HA -0.254 4.216 4.470 0.001 0.000 0.225 250 S C 1.960 176.593 174.600 0.054 0.000 1.030 250 S CA 1.575 59.783 58.200 0.014 0.000 0.999 250 S CB -0.252 62.959 63.200 0.018 0.000 0.844 250 S HN 0.679 nan 8.310 nan 0.000 0.459 251 Q N 0.396 120.256 119.800 0.100 0.000 2.112 251 Q HA -0.114 4.227 4.340 0.001 0.000 0.206 251 Q C 2.508 178.563 176.000 0.090 0.000 0.987 251 Q CA 1.724 57.608 55.803 0.135 0.000 0.858 251 Q CB -0.432 28.415 28.738 0.182 0.000 0.905 251 Q HN 0.714 nan 8.270 nan 0.000 0.420 252 A N 0.110 122.974 122.820 0.073 0.000 1.930 252 A HA -0.112 4.209 4.320 0.001 0.000 0.217 252 A C 2.312 179.936 177.584 0.065 0.000 1.175 252 A CA 1.189 53.263 52.037 0.063 0.000 0.627 252 A CB -0.542 18.492 19.000 0.056 0.000 0.815 252 A HN 0.216 nan 8.150 nan 0.000 0.443 253 V N 0.129 120.078 119.914 0.059 0.000 2.427 253 V HA -0.254 3.867 4.120 0.001 0.000 0.248 253 V C 2.389 178.541 176.094 0.097 0.000 1.051 253 V CA 2.333 64.688 62.300 0.091 0.000 1.048 253 V CB -0.635 31.225 31.823 0.061 0.000 0.666 253 V HN 0.543 nan 8.190 nan 0.000 0.456 254 K N -0.669 119.774 120.400 0.071 0.000 2.155 254 K HA -0.064 4.256 4.320 0.001 0.000 0.203 254 K C 2.136 178.769 176.600 0.055 0.000 1.052 254 K CA 1.345 57.667 56.287 0.058 0.000 0.948 254 K CB -0.167 32.354 32.500 0.035 0.000 0.728 254 K HN 0.378 nan 8.250 nan 0.000 0.448 255 M N 1.280 120.915 119.600 0.059 0.000 2.200 255 M HA -0.056 4.424 4.480 0.001 0.000 0.265 255 M C 0.454 176.784 176.300 0.049 0.000 1.066 255 M CA 0.832 56.162 55.300 0.051 0.000 1.127 255 M CB 0.408 33.039 32.600 0.051 0.000 1.379 255 M HN -0.058 nan 8.290 nan 0.000 0.420 256 V N -0.074 119.877 119.914 0.062 0.000 2.686 256 V HA 0.299 4.420 4.120 0.001 0.000 0.295 256 V C -0.189 175.941 176.094 0.060 0.000 1.057 256 V CA -1.135 61.202 62.300 0.061 0.000 1.012 256 V CB 0.713 32.582 31.823 0.077 0.000 1.006 256 V HN 0.184 nan 8.190 nan 0.000 0.477 257 K N 3.422 123.850 120.400 0.048 0.000 2.319 257 K HA 0.303 4.624 4.320 0.001 0.000 0.265 257 K C -2.428 174.202 176.600 0.050 0.000 1.000 257 K CA -1.167 55.144 56.287 0.041 0.000 0.943 257 K CB -0.035 32.481 32.500 0.027 0.000 0.950 257 K HN 0.570 nan 8.250 nan 0.000 0.485 258 P HA -0.044 nan 4.420 nan 0.000 0.266 258 P C 0.469 177.792 177.300 0.039 0.000 1.195 258 P CA 0.637 63.763 63.100 0.042 0.000 0.768 258 P CB 0.555 32.271 31.700 0.027 0.000 0.838 259 G N 1.369 110.209 108.800 0.066 0.000 2.179 259 G HA2 -0.169 3.792 3.960 0.001 0.000 0.260 259 G HA3 -0.169 3.792 3.960 0.001 0.000 0.260 259 G C 0.625 175.554 174.900 0.049 0.000 0.977 259 G CA -0.065 45.060 45.100 0.042 0.000 0.641 259 G HN 0.894 nan 8.290 nan 0.000 0.533 260 G N -0.789 108.050 108.800 0.064 0.000 2.563 260 G HA2 0.658 4.619 3.960 0.001 0.000 0.283 260 G HA3 0.658 4.619 3.960 0.001 0.000 0.283 260 G C -0.174 174.775 174.900 0.081 0.000 1.309 260 G CA -0.513 44.625 45.100 0.063 0.000 1.022 260 G HN 0.737 nan 8.290 nan 0.000 0.501 261 I N -0.464 120.148 120.570 0.071 0.000 2.647 261 I HA 0.365 4.536 4.170 0.001 0.000 0.295 261 I C -0.902 175.256 176.117 0.069 0.000 1.078 261 I CA -0.562 60.783 61.300 0.075 0.000 1.048 261 I CB 2.513 40.546 38.000 0.055 0.000 1.239 261 I HN 0.177 nan 8.210 nan 0.000 0.421 262 I N 3.950 124.565 120.570 0.074 0.000 2.389 262 I HA 0.256 4.427 4.170 0.001 0.000 0.288 262 I C -0.102 176.042 176.117 0.045 0.000 0.999 262 I CA -0.258 61.077 61.300 0.059 0.000 1.129 262 I CB 1.939 39.976 38.000 0.060 0.000 1.288 262 I HN 0.482 nan 8.210 nan 0.000 0.444 263 S N 5.590 121.312 115.700 0.037 0.000 2.498 263 S HA 0.400 4.871 4.470 0.001 0.000 0.324 263 S C -0.680 173.943 174.600 0.038 0.000 1.071 263 S CA -0.666 57.548 58.200 0.023 0.000 1.113 263 S CB 0.646 63.848 63.200 0.003 0.000 0.976 263 S HN 0.641 nan 8.310 nan 0.000 0.462 264 N N 3.813 122.542 118.700 0.048 0.000 2.438 264 N HA 0.506 5.247 4.740 0.001 0.000 0.282 264 N C 0.642 176.205 175.510 0.089 0.000 1.037 264 N CA -0.524 52.579 53.050 0.088 0.000 0.942 264 N CB 0.776 39.336 38.487 0.121 0.000 1.136 264 N HN 0.746 nan 8.380 nan 0.000 0.481 265 I N -1.372 119.258 120.570 0.099 0.000 4.442 265 I HA 0.397 4.567 4.170 0.001 0.000 0.331 265 I C 0.118 176.298 176.117 0.105 0.000 1.364 265 I CA -0.576 60.783 61.300 0.099 0.000 1.207 265 I CB -0.234 37.817 38.000 0.085 0.000 1.298 265 I HN 0.301 nan 8.210 nan 0.000 0.463 266 N N 2.436 121.198 118.700 0.104 0.000 2.458 266 N HA -0.093 4.647 4.740 0.001 0.000 0.258 266 N C -0.868 174.725 175.510 0.138 0.000 1.219 266 N CA 0.218 53.292 53.050 0.040 0.000 0.902 266 N CB 0.310 38.715 38.487 -0.137 0.000 1.076 266 N HN 0.291 nan 8.380 nan 0.000 0.455 267 Y N 5.306 125.589 120.300 -0.029 0.000 2.676 267 Y HA 0.229 4.779 4.550 0.001 0.000 0.338 267 Y C -0.260 175.607 175.900 -0.055 0.000 1.057 267 Y CA -0.949 57.184 58.100 0.055 0.000 1.314 267 Y CB -0.806 37.722 38.460 0.113 0.000 1.164 267 Y HN 0.508 nan 8.280 nan 0.000 0.509 268 H N 3.487 122.596 119.070 0.065 0.000 2.803 268 H HA 0.185 4.743 4.556 0.003 0.000 0.330 268 H C 0.734 175.848 175.328 -0.358 0.000 1.057 268 H CA 0.769 56.717 56.048 -0.167 0.000 1.458 268 H CB 1.131 30.860 29.762 -0.054 0.000 1.470 268 H HN 0.918 nan 8.280 nan 0.000 0.560 269 G N 1.834 110.320 108.800 -0.524 0.000 3.228 269 G HA2 0.091 4.052 3.960 0.001 0.000 0.245 269 G HA3 0.091 4.052 3.960 0.001 0.000 0.245 269 G C -0.125 174.632 174.900 -0.239 0.000 1.051 269 G CA 0.136 44.905 45.100 -0.552 0.000 0.809 269 G HN 0.601 nan 8.290 nan 0.000 0.531 270 S N -1.297 114.313 115.700 -0.151 0.000 2.537 270 S HA 0.757 5.228 4.470 0.001 0.000 0.271 270 S C -0.416 174.162 174.600 -0.038 0.000 1.148 270 S CA 0.126 58.281 58.200 -0.075 0.000 0.868 270 S CB 1.899 65.053 63.200 -0.077 0.000 1.115 270 S HN 1.820 nan 8.310 nan 0.000 0.461 271 G N 1.766 110.550 108.800 -0.026 0.000 2.617 271 G HA2 0.100 4.061 3.960 0.001 0.000 0.686 271 G HA3 0.100 4.061 3.960 0.001 0.000 0.686 271 G C -0.286 174.600 174.900 -0.024 0.000 1.214 271 G CA 0.146 45.232 45.100 -0.022 0.000 0.796 271 G HN 0.899 nan 8.290 nan 0.000 0.654 272 D N -0.069 120.316 120.400 -0.026 0.000 2.137 272 D HA 0.436 5.077 4.640 0.001 0.000 0.202 272 D C 1.420 177.696 176.300 -0.040 0.000 0.970 272 D CA 2.559 56.542 54.000 -0.028 0.000 0.837 272 D CB 0.136 40.921 40.800 -0.025 0.000 0.981 272 D HN 1.303 nan 8.370 nan 0.000 0.475 273 A N -0.952 121.838 122.820 -0.049 0.000 2.569 273 A HA 0.648 4.969 4.320 0.001 0.000 0.290 273 A C -1.706 175.824 177.584 -0.090 0.000 1.136 273 A CA -0.672 51.323 52.037 -0.069 0.000 0.710 273 A CB 1.068 20.031 19.000 -0.063 0.000 1.303 273 A HN 0.084 nan 8.150 nan 0.000 0.413 274 L N 0.415 121.564 121.223 -0.124 0.000 2.329 274 L HA 0.592 4.933 4.340 0.001 0.000 0.279 274 L C -0.598 176.194 176.870 -0.130 0.000 1.014 274 L CA -0.089 54.666 54.840 -0.143 0.000 0.814 274 L CB 1.518 43.442 42.059 -0.224 0.000 1.257 274 L HN 0.564 nan 8.230 nan 0.000 0.424 275 L N 3.934 125.093 121.223 -0.107 0.000 2.282 275 L HA 0.560 4.901 4.340 0.001 0.000 0.288 275 L C -0.470 176.314 176.870 -0.143 0.000 1.033 275 L CA -0.498 54.277 54.840 -0.108 0.000 0.807 275 L CB 1.211 43.231 42.059 -0.066 0.000 1.209 275 L HN 0.470 nan 8.230 nan 0.000 0.423 276 I N 4.505 124.952 120.570 -0.205 0.000 2.331 276 I HA 0.275 4.446 4.170 0.001 0.000 0.292 276 I C -1.918 174.113 176.117 -0.144 0.000 0.998 276 I CA -1.861 59.271 61.300 -0.280 0.000 1.267 276 I CB 1.509 39.161 38.000 -0.579 0.000 1.386 276 I HN 0.375 nan 8.210 nan 0.000 0.476 277 P HA 0.151 nan 4.420 nan 0.000 0.276 277 P C 0.431 177.777 177.300 0.076 0.000 1.253 277 P CA -0.354 62.749 63.100 0.006 0.000 0.766 277 P CB 0.811 32.524 31.700 0.021 0.000 0.845 278 R N 2.976 123.522 120.500 0.078 0.000 2.083 278 R HA -0.110 4.231 4.340 0.001 0.000 0.237 278 R C 1.328 177.716 176.300 0.147 0.000 1.137 278 R CA 1.665 57.845 56.100 0.134 0.000 0.951 278 R CB -0.482 29.869 30.300 0.085 0.000 0.851 278 R HN 0.243 nan 8.270 nan 0.000 0.434 279 V N 0.997 120.967 119.914 0.094 0.000 2.323 279 V HA -0.158 3.962 4.120 0.001 0.000 0.244 279 V C 1.798 177.944 176.094 0.087 0.000 1.041 279 V CA 1.962 64.305 62.300 0.072 0.000 1.025 279 V CB -0.367 31.481 31.823 0.042 0.000 0.656 279 V HN 0.342 nan 8.190 nan 0.000 0.451 280 E N -1.341 118.920 120.200 0.103 0.000 2.347 280 E HA -0.187 4.164 4.350 0.001 0.000 0.196 280 E C 1.433 178.151 176.600 0.196 0.000 1.008 280 E CA 0.553 57.020 56.400 0.113 0.000 0.852 280 E CB -0.193 29.561 29.700 0.089 0.000 0.783 280 E HN 0.741 nan 8.360 nan 0.000 0.505 281 W N 0.889 122.187 121.300 -0.003 0.000 3.447 281 W HA 0.283 4.939 4.660 -0.006 0.000 0.348 281 W C 0.807 177.319 176.519 -0.011 0.000 1.220 281 W CA 0.426 57.768 57.345 -0.006 0.000 1.809 281 W CB -0.245 29.208 29.460 -0.011 0.000 1.040 281 W HN 0.113 nan 8.180 nan 0.000 0.735 282 G N 0.956 109.772 108.800 0.027 0.000 2.341 282 G HA2 -0.354 3.607 3.960 0.001 0.000 0.292 282 G HA3 -0.354 3.607 3.960 0.001 0.000 0.292 282 G C 0.822 175.673 174.900 -0.081 0.000 1.021 282 G CA 0.055 45.117 45.100 -0.063 0.000 0.905 282 G HN 0.584 nan 8.290 nan 0.000 0.508 283 C N -2.578 116.732 119.300 0.017 0.000 4.233 283 C HA -0.019 4.442 4.460 0.001 0.000 0.292 283 C C 2.377 177.350 174.990 -0.028 0.000 1.469 283 C CA 1.734 60.771 59.018 0.033 0.000 2.013 283 C CB -1.694 26.048 27.740 0.003 0.000 1.282 283 C HN 2.747 nan 8.230 nan 0.000 0.796 284 G N -1.995 106.693 108.800 -0.187 0.000 2.184 284 G HA2 -0.229 3.731 3.960 0.001 0.000 0.206 284 G HA3 -0.229 3.731 3.960 0.001 0.000 0.206 284 G C 0.166 174.615 174.900 -0.752 0.000 0.995 284 G CA 0.348 45.111 45.100 -0.563 0.000 0.651 284 G HN 0.615 nan 8.290 nan 0.000 0.511 285 M N 0.135 119.398 119.600 -0.561 0.000 2.414 285 M HA 0.439 4.920 4.480 0.001 0.000 0.357 285 M C 1.867 177.927 176.300 -0.399 0.000 1.059 285 M CA 0.634 55.662 55.300 -0.453 0.000 0.959 285 M CB 1.101 33.552 32.600 -0.248 0.000 1.522 285 M HN 0.349 nan 8.290 nan 0.000 0.551 286 A N -0.891 121.660 122.820 -0.448 0.000 2.238 286 A HA 0.014 4.335 4.320 0.001 0.000 0.208 286 A C 0.271 177.797 177.584 -0.096 0.000 1.177 286 A CA 0.584 52.491 52.037 -0.216 0.000 0.804 286 A CB -0.850 18.050 19.000 -0.167 0.000 0.823 286 A HN 0.726 nan 8.150 nan 0.000 0.482 287 H N -1.178 117.732 119.070 -0.268 0.000 2.791 287 H HA -0.136 4.422 4.556 0.003 0.000 0.302 287 H C -0.347 174.941 175.328 -0.067 0.000 1.198 287 H CA 1.228 57.188 56.048 -0.147 0.000 1.145 287 H CB -1.632 28.078 29.762 -0.087 0.000 1.385 287 H HN 0.562 nan 8.280 nan 0.000 0.409 288 K N 1.341 121.739 120.400 -0.004 0.000 2.244 288 K HA 0.210 4.530 4.320 0.001 0.000 0.263 288 K C 0.009 176.816 176.600 0.346 0.000 1.103 288 K CA -0.260 56.146 56.287 0.198 0.000 0.966 288 K CB 1.007 33.700 32.500 0.323 0.000 1.429 288 K HN 0.111 nan 8.250 nan 0.000 0.434 289 T N 3.427 118.112 114.554 0.218 0.000 2.870 289 T HA 0.217 4.568 4.350 0.001 0.000 0.300 289 T C 0.436 175.244 174.700 0.179 0.000 0.989 289 T CA -0.017 62.205 62.100 0.202 0.000 1.139 289 T CB 0.337 69.282 68.868 0.129 0.000 0.920 289 T HN 0.319 nan 8.240 nan 0.000 0.537 290 I N 4.078 124.745 120.570 0.162 0.000 2.355 290 I HA 0.380 4.550 4.170 0.001 0.000 0.288 290 I C 0.407 176.551 176.117 0.045 0.000 0.999 290 I CA -0.643 60.700 61.300 0.072 0.000 1.163 290 I CB 1.077 39.073 38.000 -0.006 0.000 1.316 290 I HN 0.358 nan 8.210 nan 0.000 0.454 291 K N 4.189 124.609 120.400 0.034 0.000 2.281 291 K HA 0.868 5.189 4.320 0.001 0.000 0.242 291 K C -0.284 176.326 176.600 0.017 0.000 0.971 291 K CA -1.027 55.273 56.287 0.022 0.000 0.834 291 K CB 2.511 35.021 32.500 0.017 0.000 1.181 291 K HN 0.783 nan 8.250 nan 0.000 0.435 292 G N 0.104 108.917 108.800 0.022 0.000 2.334 292 G HA2 0.511 4.472 3.960 0.001 0.000 0.290 292 G HA3 0.511 4.472 3.960 0.001 0.000 0.290 292 G C -1.174 173.772 174.900 0.077 0.000 1.310 292 G CA -0.580 44.547 45.100 0.044 0.000 1.308 292 G HN 0.671 nan 8.290 nan 0.000 0.612 293 G N 0.737 109.602 108.800 0.108 0.000 2.638 293 G HA2 0.658 4.619 3.960 0.001 0.000 0.302 293 G HA3 0.658 4.619 3.960 0.001 0.000 0.302 293 G C -0.876 174.167 174.900 0.238 0.000 1.365 293 G CA -0.856 44.373 45.100 0.214 0.000 0.987 293 G HN 0.948 nan 8.290 nan 0.000 0.495 294 L N 2.339 123.669 121.223 0.178 0.000 2.485 294 L HA 0.386 4.727 4.340 0.001 0.000 0.275 294 L C 1.337 178.194 176.870 -0.021 0.000 1.207 294 L CA -0.859 53.999 54.840 0.030 0.000 0.855 294 L CB 0.154 42.184 42.059 -0.049 0.000 1.114 294 L HN 0.779 nan 8.230 nan 0.000 0.485 295 C N 4.278 123.522 119.300 -0.093 0.000 2.657 295 C HA 0.376 4.837 4.460 0.001 0.000 0.420 295 C C -1.997 172.831 174.990 -0.270 0.000 1.323 295 C CA -1.500 57.409 59.018 -0.182 0.000 1.894 295 C CB -0.612 27.058 27.740 -0.117 0.000 2.681 295 C HN 0.745 nan 8.230 nan 0.000 0.613 296 P HA 0.456 nan 4.420 nan 0.000 0.269 296 P C 0.502 177.868 177.300 0.110 0.000 1.215 296 P CA 0.765 63.816 63.100 -0.083 0.000 0.780 296 P CB 0.548 32.210 31.700 -0.064 0.000 0.898 297 G N -0.236 108.780 108.800 0.360 0.000 3.247 297 G HA2 0.683 4.643 3.960 0.001 0.000 0.226 297 G HA3 0.683 4.643 3.960 0.001 0.000 0.226 297 G C -0.206 174.740 174.900 0.076 0.000 1.220 297 G CA -0.480 44.706 45.100 0.144 0.000 0.875 297 G HN 0.797 nan 8.290 nan 0.000 0.606 298 G N -1.126 107.743 108.800 0.116 0.000 2.829 298 G HA2 -0.135 3.825 3.960 0.001 0.000 0.628 298 G HA3 -0.135 3.825 3.960 0.001 0.000 0.628 298 G C 0.823 175.779 174.900 0.093 0.000 1.412 298 G CA 0.725 45.953 45.100 0.213 0.000 0.864 298 G HN 0.928 nan 8.290 nan 0.000 0.544 299 R N -0.192 120.325 120.500 0.029 0.000 2.066 299 R HA 0.012 4.353 4.340 0.001 0.000 0.232 299 R C 2.743 179.054 176.300 0.017 0.000 1.131 299 R CA 2.095 58.204 56.100 0.016 0.000 0.955 299 R CB -0.348 29.950 30.300 -0.004 0.000 0.851 299 R HN 0.720 nan 8.270 nan 0.000 0.432 300 L N 1.250 122.458 121.223 -0.024 0.000 2.046 300 L HA -0.138 4.203 4.340 0.001 0.000 0.208 300 L C 2.491 179.388 176.870 0.045 0.000 1.077 300 L CA 1.874 56.714 54.840 -0.000 0.000 0.747 300 L CB -0.600 41.442 42.059 -0.027 0.000 0.896 300 L HN 0.120 nan 8.230 nan 0.000 0.432 301 R N -0.754 119.782 120.500 0.059 0.000 2.083 301 R HA -0.168 4.173 4.340 0.001 0.000 0.237 301 R C 2.092 178.436 176.300 0.074 0.000 1.137 301 R CA 2.109 58.257 56.100 0.080 0.000 0.951 301 R CB -0.480 29.873 30.300 0.089 0.000 0.851 301 R HN 0.308 nan 8.270 nan 0.000 0.434 302 M N 0.502 120.141 119.600 0.065 0.000 2.117 302 M HA -0.122 4.359 4.480 0.001 0.000 0.262 302 M C 1.954 178.298 176.300 0.072 0.000 1.065 302 M CA 1.722 57.060 55.300 0.063 0.000 1.114 302 M CB -0.932 31.706 32.600 0.063 0.000 1.361 302 M HN 0.270 nan 8.290 nan 0.000 0.408 303 E N -0.441 119.801 120.200 0.071 0.000 2.106 303 E HA -0.167 4.183 4.350 0.001 0.000 0.192 303 E C 2.221 178.871 176.600 0.083 0.000 0.984 303 E CA 0.917 57.359 56.400 0.071 0.000 0.806 303 E CB -0.049 29.686 29.700 0.059 0.000 0.750 303 E HN 0.437 nan 8.360 nan 0.000 0.458 304 R N 0.268 120.822 120.500 0.092 0.000 2.090 304 R HA -0.015 4.326 4.340 0.001 0.000 0.228 304 R C 2.297 178.687 176.300 0.149 0.000 1.110 304 R CA 0.730 56.901 56.100 0.117 0.000 0.973 304 R CB -0.004 30.364 30.300 0.114 0.000 0.869 304 R HN 0.156 nan 8.270 nan 0.000 0.440 305 L N 0.021 121.324 121.223 0.134 0.000 2.156 305 L HA -0.092 4.249 4.340 0.001 0.000 0.208 305 L C 2.141 179.090 176.870 0.132 0.000 1.095 305 L CA 0.934 55.857 54.840 0.139 0.000 0.770 305 L CB -0.285 41.811 42.059 0.062 0.000 0.914 305 L HN 0.218 nan 8.230 nan 0.000 0.439 306 I N 0.095 120.733 120.570 0.113 0.000 2.226 306 I HA -0.300 3.871 4.170 0.001 0.000 0.245 306 I C 2.075 178.282 176.117 0.150 0.000 1.100 306 I CA 1.281 62.649 61.300 0.113 0.000 1.374 306 I CB -0.235 37.814 38.000 0.082 0.000 1.057 306 I HN 0.224 nan 8.210 nan 0.000 0.413 307 D N 0.783 121.279 120.400 0.160 0.000 2.104 307 D HA -0.166 4.475 4.640 0.001 0.000 0.194 307 D C 2.303 178.804 176.300 0.334 0.000 0.994 307 D CA 1.248 55.403 54.000 0.258 0.000 0.830 307 D CB -0.282 40.695 40.800 0.295 0.000 0.959 307 D HN 0.236 nan 8.370 nan 0.000 0.452 308 L N -0.077 121.310 121.223 0.274 0.000 2.042 308 L HA -0.178 4.163 4.340 0.001 0.000 0.210 308 L C 2.447 179.465 176.870 0.246 0.000 1.076 308 L CA 0.698 55.703 54.840 0.275 0.000 0.749 308 L CB -0.419 41.825 42.059 0.308 0.000 0.893 308 L HN 0.005 nan 8.230 nan 0.000 0.432 309 V N -0.731 119.308 119.914 0.208 0.000 2.323 309 V HA -0.292 3.829 4.120 0.001 0.000 0.244 309 V C 2.208 178.378 176.094 0.127 0.000 1.041 309 V CA 1.788 64.184 62.300 0.161 0.000 1.025 309 V CB -0.576 31.325 31.823 0.130 0.000 0.656 309 V HN 0.298 nan 8.190 nan 0.000 0.451 310 F N 0.191 120.115 119.950 -0.044 0.000 2.126 310 F HA -0.221 4.306 4.527 0.001 0.000 0.299 310 F C 1.896 177.543 175.800 -0.255 0.000 1.096 310 F CA 1.728 59.601 58.000 -0.211 0.000 1.255 310 F CB -0.177 38.584 39.000 -0.399 0.000 0.997 310 F HN 0.215 nan 8.300 nan 0.000 0.479 311 Y N 0.922 121.364 120.300 0.236 0.000 2.495 311 Y HA 0.204 4.755 4.550 0.001 0.000 0.293 311 Y C 0.629 176.568 175.900 0.066 0.000 1.186 311 Y CA -0.408 57.772 58.100 0.133 0.000 1.266 311 Y CB -0.879 37.693 38.460 0.188 0.000 1.101 311 Y HN 0.019 nan 8.280 nan 0.000 0.517 312 K N -0.553 119.930 120.400 0.139 0.000 3.117 312 K HA -0.252 4.069 4.320 0.001 0.000 0.269 312 K C 0.766 177.446 176.600 0.134 0.000 1.098 312 K CA 0.190 56.541 56.287 0.107 0.000 0.785 312 K CB -0.784 31.751 32.500 0.058 0.000 1.242 312 K HN 0.245 nan 8.250 nan 0.000 0.491 313 R N 0.109 120.711 120.500 0.170 0.000 2.119 313 R HA 0.079 4.420 4.340 0.001 0.000 0.222 313 R C 1.143 177.541 176.300 0.164 0.000 1.088 313 R CA 0.847 57.036 56.100 0.148 0.000 0.984 313 R CB 0.089 30.484 30.300 0.158 0.000 0.884 313 R HN 0.266 nan 8.270 nan 0.000 0.447 314 V N 1.011 121.055 119.914 0.216 0.000 2.932 314 V HA 0.309 4.429 4.120 0.001 0.000 0.307 314 V C -1.949 174.312 176.094 0.278 0.000 1.147 314 V CA -1.010 61.460 62.300 0.283 0.000 0.951 314 V CB 2.636 34.684 31.823 0.376 0.000 1.031 314 V HN 0.049 nan 8.190 nan 0.000 0.426 315 D N 7.001 127.628 120.400 0.379 0.000 2.462 315 D HA 0.528 5.169 4.640 0.001 0.000 0.249 315 D C -1.751 174.784 176.300 0.392 0.000 1.117 315 D CA -2.020 52.176 54.000 0.327 0.000 0.900 315 D CB 2.119 43.110 40.800 0.318 0.000 1.039 315 D HN 0.412 nan 8.370 nan 0.000 0.516 316 P HA -0.056 nan 4.420 nan 0.000 0.245 316 P C 1.091 178.483 177.300 0.154 0.000 1.212 316 P CA 0.268 63.487 63.100 0.199 0.000 0.774 316 P CB 0.167 31.904 31.700 0.061 0.000 0.999 317 S N 0.642 116.412 115.700 0.117 0.000 2.419 317 S HA -0.130 4.340 4.470 0.001 0.000 0.233 317 S C 1.741 176.347 174.600 0.010 0.000 1.016 317 S CA 0.773 58.999 58.200 0.043 0.000 0.974 317 S CB -0.780 62.428 63.200 0.014 0.000 0.786 317 S HN 0.048 nan 8.310 nan 0.000 0.492 318 K N 1.545 121.952 120.400 0.011 0.000 2.442 318 K HA 0.190 4.511 4.320 0.001 0.000 0.198 318 K C 1.785 178.404 176.600 0.032 0.000 1.042 318 K CA 0.444 56.671 56.287 -0.099 0.000 0.958 318 K CB -0.720 31.529 32.500 -0.419 0.000 0.766 318 K HN 0.487 nan 8.250 nan 0.000 0.474 319 L N 0.743 122.041 121.223 0.125 0.000 2.291 319 L HA -0.029 4.312 4.340 0.001 0.000 0.214 319 L C 0.582 177.474 176.870 0.037 0.000 1.120 319 L CA 0.236 55.136 54.840 0.099 0.000 0.799 319 L CB -0.101 42.001 42.059 0.072 0.000 0.925 319 L HN -0.216 nan 8.230 nan 0.000 0.446 320 V N 0.561 120.481 119.914 0.011 0.000 2.353 320 V HA 0.047 4.168 4.120 0.001 0.000 0.264 320 V C 1.269 177.345 176.094 -0.029 0.000 1.049 320 V CA 0.346 62.638 62.300 -0.013 0.000 0.896 320 V CB 0.706 32.511 31.823 -0.030 0.000 1.025 320 V HN 0.354 nan 8.190 nan 0.000 0.475 321 T N 0.307 114.873 114.554 0.020 0.000 3.044 321 T HA 0.178 4.528 4.350 0.001 0.000 0.250 321 T C 0.362 174.966 174.700 -0.161 0.000 1.081 321 T CA 0.318 62.413 62.100 -0.008 0.000 1.040 321 T CB -0.025 68.919 68.868 0.126 0.000 0.962 321 T HN 0.625 nan 8.240 nan 0.000 0.506 322 H N 0.153 119.083 119.070 -0.233 0.000 2.934 322 H HA 0.652 5.208 4.556 0.001 0.000 0.340 322 H C -1.406 173.574 175.328 -0.580 0.000 1.008 322 H CA -0.775 55.011 56.048 -0.436 0.000 1.317 322 H CB 1.851 31.298 29.762 -0.525 0.000 1.670 322 H HN 0.037 nan 8.280 nan 0.000 0.516 323 V N 4.367 124.002 119.914 -0.466 0.000 2.448 323 V HA 0.461 4.581 4.120 0.001 0.000 0.295 323 V C -0.753 175.102 176.094 -0.399 0.000 1.025 323 V CA -0.707 61.369 62.300 -0.373 0.000 0.859 323 V CB 0.677 32.405 31.823 -0.158 0.000 0.988 323 V HN 0.465 nan 8.190 nan 0.000 0.431 324 F N 2.684 122.645 119.950 0.019 0.000 2.538 324 F HA 0.713 5.241 4.527 0.001 0.000 0.325 324 F C 0.496 176.297 175.800 0.003 0.000 1.066 324 F CA -1.177 56.826 58.000 0.006 0.000 0.946 324 F CB 1.730 40.726 39.000 -0.008 0.000 1.199 324 F HN 0.273 nan 8.300 nan 0.000 0.473 325 R N 0.555 121.180 120.500 0.208 0.000 2.604 325 R HA 0.744 5.085 4.340 0.001 0.000 0.287 325 R C -0.489 175.867 176.300 0.095 0.000 0.970 325 R CA -0.923 55.248 56.100 0.118 0.000 0.946 325 R CB 1.728 32.076 30.300 0.080 0.000 1.127 325 R HN 0.931 nan 8.270 nan 0.000 0.473 326 G N 1.585 110.438 108.800 0.088 0.000 3.069 326 G HA2 -0.222 3.739 3.960 0.001 0.000 0.686 326 G HA3 -0.222 3.739 3.960 0.001 0.000 0.686 326 G C -0.245 174.722 174.900 0.112 0.000 1.161 326 G CA -0.686 44.465 45.100 0.084 0.000 0.804 326 G HN 0.564 nan 8.290 nan 0.000 0.608 327 F N 1.703 121.639 119.950 -0.023 0.000 2.091 327 F HA -0.095 4.433 4.527 0.002 0.000 0.299 327 F C 2.197 178.009 175.800 0.020 0.000 1.103 327 F CA 2.648 60.645 58.000 -0.006 0.000 1.228 327 F CB 0.052 39.023 39.000 -0.049 0.000 0.984 327 F HN 0.508 nan 8.300 nan 0.000 0.477 328 D N -0.062 120.281 120.400 -0.096 0.000 2.265 328 D HA -0.169 4.471 4.640 0.001 0.000 0.208 328 D C 1.618 177.880 176.300 -0.063 0.000 0.977 328 D CA 0.927 54.812 54.000 -0.192 0.000 0.871 328 D CB -0.548 40.137 40.800 -0.193 0.000 0.925 328 D HN 0.302 nan 8.370 nan 0.000 0.485 329 N N 0.197 118.838 118.700 -0.098 0.000 2.521 329 N HA 0.031 4.772 4.740 0.001 0.000 0.188 329 N C 1.622 177.013 175.510 -0.197 0.000 1.146 329 N CA -0.040 52.923 53.050 -0.145 0.000 0.893 329 N CB 0.071 38.489 38.487 -0.114 0.000 0.975 329 N HN 0.319 nan 8.380 nan 0.000 0.451 330 I N 0.803 121.197 120.570 -0.294 0.000 2.208 330 I HA -0.267 3.903 4.170 0.001 0.000 0.245 330 I C 2.403 178.059 176.117 -0.769 0.000 1.097 330 I CA 1.164 62.103 61.300 -0.602 0.000 1.363 330 I CB -0.019 37.471 38.000 -0.849 0.000 1.051 330 I HN 0.228 nan 8.210 nan 0.000 0.413 331 E N 1.256 121.005 120.200 -0.752 0.000 2.051 331 E HA -0.299 4.052 4.350 0.001 0.000 0.192 331 E C 2.242 178.628 176.600 -0.356 0.000 0.991 331 E CA 1.374 57.249 56.400 -0.874 0.000 0.799 331 E CB 0.012 29.449 29.700 -0.439 0.000 0.748 331 E HN 0.300 nan 8.360 nan 0.000 0.449 332 K N 0.040 120.285 120.400 -0.257 0.000 2.020 332 K HA -0.215 4.105 4.320 0.001 0.000 0.212 332 K C 2.078 178.605 176.600 -0.122 0.000 1.050 332 K CA 1.477 57.629 56.287 -0.225 0.000 0.929 332 K CB -0.244 32.004 32.500 -0.419 0.000 0.714 332 K HN 0.180 nan 8.250 nan 0.000 0.443 333 A N 0.622 123.406 122.820 -0.060 0.000 1.877 333 A HA -0.178 4.142 4.320 0.001 0.000 0.216 333 A C 2.026 179.609 177.584 -0.002 0.000 1.186 333 A CA 1.472 53.552 52.037 0.071 0.000 0.620 333 A CB -0.872 18.173 19.000 0.076 0.000 0.822 333 A HN 0.516 nan 8.150 nan 0.000 0.443 334 F N 0.208 120.035 119.950 -0.206 0.000 2.095 334 F HA -0.230 4.298 4.527 0.001 0.000 0.298 334 F C 2.227 178.015 175.800 -0.020 0.000 1.104 334 F CA 2.122 60.067 58.000 -0.092 0.000 1.232 334 F CB -0.132 38.800 39.000 -0.113 0.000 0.987 334 F HN 0.103 nan 8.300 nan 0.000 0.475 335 M N -0.569 119.065 119.600 0.057 0.000 2.296 335 M HA -0.134 4.347 4.480 0.001 0.000 0.265 335 M C 2.117 178.347 176.300 -0.116 0.000 1.064 335 M CA 0.958 56.252 55.300 -0.010 0.000 1.109 335 M CB -1.314 31.317 32.600 0.052 0.000 1.396 335 M HN 0.230 nan 8.290 nan 0.000 0.430 336 L N 0.224 121.384 121.223 -0.106 0.000 2.042 336 L HA -0.173 4.168 4.340 0.001 0.000 0.210 336 L C 2.357 179.117 176.870 -0.182 0.000 1.076 336 L CA 1.633 56.395 54.840 -0.130 0.000 0.749 336 L CB -0.900 41.086 42.059 -0.121 0.000 0.893 336 L HN 0.254 nan 8.230 nan 0.000 0.432 337 M N -1.131 118.331 119.600 -0.229 0.000 2.358 337 M HA -0.202 4.279 4.480 0.001 0.000 0.264 337 M C 2.145 178.274 176.300 -0.285 0.000 1.064 337 M CA 1.291 56.435 55.300 -0.259 0.000 1.093 337 M CB -1.026 31.390 32.600 -0.307 0.000 1.401 337 M HN 0.275 nan 8.290 nan 0.000 0.440 338 K N 0.177 120.386 120.400 -0.318 0.000 2.098 338 K HA -0.107 4.214 4.320 0.001 0.000 0.203 338 K C 1.071 177.532 176.600 -0.232 0.000 1.051 338 K CA 1.038 57.137 56.287 -0.313 0.000 0.957 338 K CB 0.266 32.550 32.500 -0.361 0.000 0.738 338 K HN 0.196 nan 8.250 nan 0.000 0.447 339 D N 0.895 121.186 120.400 -0.181 0.000 2.289 339 D HA -0.056 4.585 4.640 0.001 0.000 0.207 339 D C -0.089 176.144 176.300 -0.110 0.000 0.966 339 D CA 0.359 54.279 54.000 -0.133 0.000 0.868 339 D CB 0.230 40.969 40.800 -0.100 0.000 0.943 339 D HN -0.010 nan 8.370 nan 0.000 0.514 340 K N 1.547 121.875 120.400 -0.121 0.000 4.040 340 K HA -0.139 4.182 4.320 0.001 0.000 0.279 340 K C -2.426 174.136 176.600 -0.064 0.000 0.890 340 K CA 0.208 56.436 56.287 -0.098 0.000 0.782 340 K CB -1.250 31.195 32.500 -0.092 0.000 1.613 340 K HN 0.249 nan 8.250 nan 0.000 0.440 341 P HA -0.042 nan 4.420 nan 0.000 0.269 341 P C 0.890 178.192 177.300 0.003 0.000 1.217 341 P CA -0.077 63.014 63.100 -0.014 0.000 0.783 341 P CB 0.474 32.183 31.700 0.016 0.000 0.898 342 K N 0.985 121.394 120.400 0.015 0.000 2.362 342 K HA -0.131 4.189 4.320 0.001 0.000 0.200 342 K C 0.509 177.130 176.600 0.035 0.000 1.046 342 K CA 1.472 57.770 56.287 0.017 0.000 0.952 342 K CB -0.423 32.085 32.500 0.014 0.000 0.753 342 K HN 0.372 nan 8.250 nan 0.000 0.466 343 D N 0.666 121.105 120.400 0.064 0.000 2.369 343 D HA 0.009 4.650 4.640 0.001 0.000 0.211 343 D C 0.204 176.604 176.300 0.166 0.000 1.077 343 D CA -0.388 53.664 54.000 0.085 0.000 0.842 343 D CB -0.063 40.777 40.800 0.067 0.000 0.947 343 D HN 0.173 nan 8.370 nan 0.000 0.509 344 L N 0.525 121.829 121.223 0.135 0.000 2.326 344 L HA 0.358 4.699 4.340 0.001 0.000 0.278 344 L C 0.407 177.301 176.870 0.040 0.000 1.092 344 L CA -0.211 54.685 54.840 0.093 0.000 0.810 344 L CB 0.883 42.872 42.059 -0.116 0.000 1.153 344 L HN -0.092 nan 8.230 nan 0.000 0.439 345 I N 1.767 122.368 120.570 0.052 0.000 3.818 345 I HA 0.298 4.469 4.170 0.001 0.000 0.242 345 I C -0.136 175.977 176.117 -0.007 0.000 1.111 345 I CA -0.335 60.980 61.300 0.025 0.000 1.576 345 I CB 0.186 38.215 38.000 0.047 0.000 1.572 345 I HN 0.457 nan 8.210 nan 0.000 0.450 346 K N 1.786 122.187 120.400 0.003 0.000 2.443 346 K HA 0.464 4.785 4.320 0.001 0.000 0.252 346 K C -2.830 173.746 176.600 -0.040 0.000 0.933 346 K CA -2.130 54.141 56.287 -0.027 0.000 0.792 346 K CB 2.214 34.705 32.500 -0.015 0.000 1.185 346 K HN -0.197 nan 8.250 nan 0.000 0.425 347 P HA 0.380 nan 4.420 nan 0.000 0.287 347 P C -1.190 176.060 177.300 -0.083 0.000 1.270 347 P CA -0.745 62.281 63.100 -0.122 0.000 0.844 347 P CB 1.430 33.060 31.700 -0.117 0.000 1.068 348 V N 2.003 121.844 119.914 -0.122 0.000 2.709 348 V HA 0.329 4.450 4.120 0.001 0.000 0.308 348 V C -0.360 175.712 176.094 -0.038 0.000 1.062 348 V CA -0.764 61.504 62.300 -0.053 0.000 0.901 348 V CB 2.528 34.327 31.823 -0.040 0.000 1.003 348 V HN 0.205 nan 8.190 nan 0.000 0.425 349 V N 5.491 125.421 119.914 0.027 0.000 2.370 349 V HA 0.464 4.584 4.120 0.001 0.000 0.283 349 V C -0.166 175.970 176.094 0.069 0.000 1.023 349 V CA -0.565 61.777 62.300 0.069 0.000 0.857 349 V CB 1.522 33.371 31.823 0.044 0.000 0.985 349 V HN 0.560 nan 8.190 nan 0.000 0.443 350 I N 6.138 126.752 120.570 0.074 0.000 2.365 350 I HA 0.294 4.465 4.170 0.001 0.000 0.291 350 I C 0.606 176.774 176.117 0.086 0.000 1.004 350 I CA 0.079 61.421 61.300 0.069 0.000 1.311 350 I CB 1.500 39.531 38.000 0.051 0.000 1.401 350 I HN 0.572 nan 8.210 nan 0.000 0.491 351 L N 5.337 126.615 121.223 0.091 0.000 2.959 351 L HA 0.460 4.801 4.340 0.001 0.000 0.259 351 L C 0.487 177.393 176.870 0.061 0.000 1.185 351 L CA 0.077 54.978 54.840 0.101 0.000 0.998 351 L CB 0.267 42.413 42.059 0.144 0.000 1.337 351 L HN 0.730 nan 8.230 nan 0.000 0.555 352 A N 0.000 122.850 122.820 0.051 0.000 2.254 352 A HA 0.000 4.321 4.320 0.001 0.000 0.244 352 A CA 0.000 52.058 52.037 0.035 0.000 0.836 352 A CB 0.000 19.020 19.000 0.034 0.000 0.831 352 A HN 0.000 nan 8.150 nan 0.000 0.486