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 2mnr_1_A DATA FIRST_RESID 3 DATA SEQUENCE EVLITGLRTR AVNVPLAYPV HTAVGTVGTA PLVLIDLATS AGVVGHSYLF DATA SEQUENCE AYTPVALKSL KQLLDDMAAM IVNEPLAPVS LEAMLAKRFC LAGYTGLIRM DATA SEQUENCE AAAGIDMAAW DALGKVHETP LVKLLGANAR PVQAYDSHSL DGVKLATERA DATA SEQUENCE VTAAELGFRA VKTKIGYPAL DQDLAVVRSI RQAVGDDFGI MVDYNQSLDV DATA SEQUENCE PAAIKRSQAL QQEGVTWIEE PTLQHDYEGH QRIQSKLNVP VQMGENWLGP DATA SEQUENCE EEMFKALSIG ACRLAMPDAM KIGGVTGWIR ASALAQQFGI PMSSHLFQEI DATA SEQUENCE SAHLLAATPT AHWLERLDLA GSVIEPTLTF EGGNAVIPDL PGVGIIWREK DATA SEQUENCE EIGKYLV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.583 176.600 -0.028 0.000 1.382 3 E CA 0.000 56.388 56.400 -0.020 0.000 0.976 3 E CB 0.000 29.691 29.700 -0.016 0.000 0.812 4 V N 3.972 123.863 119.914 -0.038 0.000 2.432 4 V HA 0.424 4.547 4.120 0.004 0.000 0.275 4 V C 0.232 176.301 176.094 -0.042 0.000 1.043 4 V CA -0.084 62.187 62.300 -0.047 0.000 0.925 4 V CB 0.988 32.769 31.823 -0.070 0.000 0.985 4 V HN 0.209 nan 8.190 nan 0.000 0.466 5 L N 5.059 126.261 121.223 -0.034 0.000 2.333 5 L HA 0.614 4.956 4.340 0.004 0.000 0.269 5 L C -0.368 176.488 176.870 -0.023 0.000 1.010 5 L CA -0.810 54.014 54.840 -0.027 0.000 0.818 5 L CB 2.333 44.381 42.059 -0.018 0.000 1.306 5 L HN 0.437 nan 8.230 nan 0.000 0.430 6 I N 0.894 121.454 120.570 -0.017 0.000 2.441 6 I HA 0.069 4.241 4.170 0.004 0.000 0.287 6 I C 1.027 177.146 176.117 0.003 0.000 1.049 6 I CA 0.245 61.541 61.300 -0.006 0.000 1.381 6 I CB 1.498 39.498 38.000 0.000 0.000 1.409 6 I HN 0.772 nan 8.210 nan 0.000 0.523 7 T N 0.783 115.343 114.554 0.010 0.000 2.985 7 T HA 0.442 4.795 4.350 0.004 0.000 0.254 7 T C 0.480 175.194 174.700 0.023 0.000 1.021 7 T CA -0.052 62.056 62.100 0.013 0.000 0.957 7 T CB 0.588 69.462 68.868 0.010 0.000 1.047 7 T HN 0.749 nan 8.240 nan 0.000 0.511 8 G N 0.713 109.532 108.800 0.032 0.000 2.523 8 G HA2 0.544 4.506 3.960 0.004 0.000 0.291 8 G HA3 0.544 4.506 3.960 0.004 0.000 0.291 8 G C -2.666 172.266 174.900 0.055 0.000 1.450 8 G CA -0.821 44.304 45.100 0.041 0.000 0.790 8 G HN 0.387 nan 8.290 nan 0.000 0.496 9 L N 0.273 121.532 121.223 0.060 0.000 2.438 9 L HA 0.866 5.208 4.340 0.004 0.000 0.270 9 L C -0.348 176.565 176.870 0.071 0.000 0.972 9 L CA -0.782 54.102 54.840 0.074 0.000 0.831 9 L CB 1.980 44.083 42.059 0.073 0.000 1.273 9 L HN 0.738 nan 8.230 nan 0.000 0.405 10 R N 2.753 123.303 120.500 0.083 0.000 2.621 10 R HA 0.844 5.186 4.340 0.004 0.000 0.292 10 R C -1.387 174.952 176.300 0.064 0.000 0.969 10 R CA -0.060 56.079 56.100 0.065 0.000 0.887 10 R CB 1.781 32.119 30.300 0.064 0.000 1.180 10 R HN 0.823 nan 8.270 nan 0.000 0.450 11 T N 0.923 115.500 114.554 0.039 0.000 2.907 11 T HA 0.611 4.963 4.350 0.004 0.000 0.292 11 T C -0.531 174.162 174.700 -0.012 0.000 1.043 11 T CA -1.005 61.113 62.100 0.030 0.000 1.003 11 T CB 1.939 70.837 68.868 0.049 0.000 1.084 11 T HN 0.608 nan 8.240 nan 0.000 0.483 12 R N 0.623 121.095 120.500 -0.046 0.000 2.574 12 R HA 0.705 5.048 4.340 0.004 0.000 0.288 12 R C -1.008 175.259 176.300 -0.056 0.000 1.004 12 R CA -0.872 55.184 56.100 -0.074 0.000 0.895 12 R CB 2.393 32.600 30.300 -0.154 0.000 1.191 12 R HN 0.928 nan 8.270 nan 0.000 0.444 13 A N 2.932 125.735 122.820 -0.029 0.000 2.274 13 A HA 0.645 4.968 4.320 0.004 0.000 0.309 13 A C -0.074 177.503 177.584 -0.012 0.000 1.226 13 A CA -0.550 51.482 52.037 -0.008 0.000 0.853 13 A CB 0.723 19.727 19.000 0.006 0.000 1.146 13 A HN 0.494 nan 8.150 nan 0.000 0.518 14 V N 0.292 120.202 119.914 -0.006 0.000 3.040 14 V HA 0.661 4.784 4.120 0.004 0.000 0.312 14 V C -0.520 175.580 176.094 0.009 0.000 1.115 14 V CA -1.129 61.179 62.300 0.013 0.000 0.998 14 V CB 2.279 34.104 31.823 0.004 0.000 1.042 14 V HN 0.759 nan 8.190 nan 0.000 0.433 15 N N 1.740 120.452 118.700 0.021 0.000 2.623 15 N HA 0.491 5.233 4.740 0.004 0.000 0.256 15 N C -0.750 174.690 175.510 -0.117 0.000 1.045 15 N CA -0.032 53.007 53.050 -0.018 0.000 0.863 15 N CB 1.833 40.327 38.487 0.012 0.000 1.182 15 N HN 0.960 nan 8.380 nan 0.000 0.523 16 V N 1.613 121.386 119.914 -0.236 0.000 2.716 16 V HA 0.731 4.854 4.120 0.004 0.000 0.304 16 V C -2.277 173.569 176.094 -0.412 0.000 1.053 16 V CA -2.018 59.956 62.300 -0.543 0.000 0.984 16 V CB 1.547 33.068 31.823 -0.503 0.000 1.021 16 V HN 0.350 nan 8.190 nan 0.000 0.467 17 P HA 0.277 nan 4.420 nan 0.000 0.275 17 P C 0.194 177.359 177.300 -0.225 0.000 1.228 17 P CA -0.203 62.733 63.100 -0.274 0.000 0.786 17 P CB 1.803 33.368 31.700 -0.224 0.000 0.927 18 L N 1.730 122.854 121.223 -0.166 0.000 2.347 18 L HA 0.216 4.558 4.340 0.004 0.000 0.196 18 L C 1.726 178.511 176.870 -0.142 0.000 1.072 18 L CA 1.246 55.998 54.840 -0.148 0.000 0.817 18 L CB -0.512 41.475 42.059 -0.119 0.000 1.029 18 L HN 0.601 nan 8.230 nan 0.000 0.478 19 A N -1.656 121.061 122.820 -0.172 0.000 2.201 19 A HA -0.202 4.120 4.320 0.004 0.000 0.200 19 A C -0.471 176.881 177.584 -0.386 0.000 1.280 19 A CA -0.250 51.616 52.037 -0.285 0.000 1.134 19 A CB -1.319 17.511 19.000 -0.283 0.000 1.309 19 A HN 0.137 nan 8.150 nan 0.000 0.644 20 Y N 2.777 123.023 120.300 -0.091 0.000 2.331 20 Y HA 0.547 5.099 4.550 0.004 0.000 0.338 20 Y C -2.077 173.738 175.900 -0.143 0.000 0.976 20 Y CA -1.693 56.348 58.100 -0.099 0.000 1.137 20 Y CB 0.901 39.302 38.460 -0.098 0.000 1.172 20 Y HN 0.378 nan 8.280 nan 0.000 0.478 21 P HA 0.017 nan 4.420 nan 0.000 0.268 21 P C -0.560 176.524 177.300 -0.360 0.000 1.204 21 P CA -0.019 62.967 63.100 -0.191 0.000 0.768 21 P CB 1.215 32.804 31.700 -0.185 0.000 0.842 22 V N 5.207 124.991 119.914 -0.217 0.000 2.338 22 V HA 0.071 4.194 4.120 0.004 0.000 0.255 22 V C 0.862 176.871 176.094 -0.141 0.000 1.082 22 V CA -0.327 61.883 62.300 -0.149 0.000 0.951 22 V CB -1.265 30.545 31.823 -0.022 0.000 1.102 22 V HN 0.537 nan 8.190 nan 0.000 0.489 23 H N 3.193 122.290 119.070 0.046 0.000 2.548 23 H HA 0.550 5.108 4.556 0.004 0.000 0.331 23 H C 0.542 175.875 175.328 0.009 0.000 1.093 23 H CA -0.074 55.992 56.048 0.029 0.000 1.367 23 H CB 1.742 31.516 29.762 0.021 0.000 1.455 23 H HN 0.674 nan 8.280 nan 0.000 0.519 24 T N -2.281 112.345 114.554 0.119 0.000 2.887 24 T HA 0.526 4.879 4.350 0.004 0.000 0.292 24 T C 1.105 175.810 174.700 0.008 0.000 1.087 24 T CA -0.498 61.631 62.100 0.048 0.000 1.009 24 T CB 1.612 70.518 68.868 0.064 0.000 1.203 24 T HN 0.491 nan 8.240 nan 0.000 0.518 25 A N 0.415 123.217 122.820 -0.031 0.000 2.225 25 A HA 0.211 4.533 4.320 0.004 0.000 0.215 25 A C 1.708 179.294 177.584 0.002 0.000 1.164 25 A CA 1.308 53.321 52.037 -0.040 0.000 0.710 25 A CB -0.993 17.995 19.000 -0.021 0.000 0.780 25 A HN 1.516 nan 8.150 nan 0.000 0.473 26 V N -4.957 114.970 119.914 0.022 0.000 3.159 26 V HA 0.649 4.771 4.120 0.004 0.000 0.333 26 V C 0.482 176.597 176.094 0.035 0.000 1.424 26 V CA 0.119 62.434 62.300 0.025 0.000 1.125 26 V CB -0.770 31.068 31.823 0.025 0.000 1.075 26 V HN 1.298 nan 8.190 nan 0.000 0.482 27 G N -0.504 108.324 108.800 0.047 0.000 2.351 27 G HA2 0.337 4.299 3.960 0.004 0.000 0.353 27 G HA3 0.337 4.299 3.960 0.004 0.000 0.353 27 G C -0.833 174.121 174.900 0.089 0.000 1.358 27 G CA -0.109 45.028 45.100 0.061 0.000 0.995 27 G HN 0.317 nan 8.290 nan 0.000 0.611 28 T N -0.327 114.285 114.554 0.097 0.000 2.885 28 T HA 0.614 4.966 4.350 0.004 0.000 0.285 28 T C -0.288 174.458 174.700 0.076 0.000 1.019 28 T CA -0.464 61.699 62.100 0.104 0.000 1.010 28 T CB 1.981 70.946 68.868 0.162 0.000 1.022 28 T HN 0.884 nan 8.240 nan 0.000 0.466 29 V N 2.931 122.883 119.914 0.064 0.000 2.294 29 V HA 0.438 4.561 4.120 0.004 0.000 0.272 29 V C 1.241 177.350 176.094 0.026 0.000 1.027 29 V CA -0.239 62.111 62.300 0.083 0.000 0.823 29 V CB 0.984 32.907 31.823 0.168 0.000 1.030 29 V HN 1.167 nan 8.190 nan 0.000 0.457 30 G N 3.819 112.631 108.800 0.020 0.000 2.603 30 G HA2 0.169 4.131 3.960 0.004 0.000 0.214 30 G HA3 0.169 4.131 3.960 0.004 0.000 0.214 30 G C 0.592 175.479 174.900 -0.021 0.000 1.140 30 G CA 0.943 46.038 45.100 -0.009 0.000 0.800 30 G HN 0.669 nan 8.290 nan 0.000 0.533 31 T N -3.143 111.409 114.554 -0.004 0.000 2.838 31 T HA 0.701 5.053 4.350 0.004 0.000 0.292 31 T C -0.982 173.728 174.700 0.016 0.000 1.113 31 T CA -0.353 61.730 62.100 -0.028 0.000 1.008 31 T CB 2.115 70.962 68.868 -0.035 0.000 1.259 31 T HN 0.458 nan 8.240 nan 0.000 0.520 32 A N 1.958 124.773 122.820 -0.008 0.000 2.267 32 A HA 0.728 5.050 4.320 0.004 0.000 0.315 32 A C -2.902 174.732 177.584 0.083 0.000 1.297 32 A CA -1.985 50.113 52.037 0.102 0.000 0.865 32 A CB 0.226 19.212 19.000 -0.023 0.000 1.165 32 A HN 0.581 nan 8.150 nan 0.000 0.513 33 P HA 0.397 nan 4.420 nan 0.000 0.280 33 P C -0.878 176.483 177.300 0.102 0.000 1.300 33 P CA 0.282 63.411 63.100 0.049 0.000 0.785 33 P CB 0.426 32.122 31.700 -0.007 0.000 0.874 34 L N 3.177 124.450 121.223 0.084 0.000 2.341 34 L HA 0.623 4.965 4.340 0.004 0.000 0.267 34 L C -0.233 176.698 176.870 0.101 0.000 1.009 34 L CA -1.345 53.575 54.840 0.135 0.000 0.819 34 L CB 2.329 44.434 42.059 0.078 0.000 1.323 34 L HN -0.017 nan 8.230 nan 0.000 0.425 35 V N 3.401 123.408 119.914 0.155 0.000 2.378 35 V HA 0.382 4.504 4.120 0.004 0.000 0.288 35 V C 0.026 176.215 176.094 0.159 0.000 1.016 35 V CA -0.447 61.920 62.300 0.112 0.000 0.840 35 V CB 1.659 33.550 31.823 0.113 0.000 0.994 35 V HN 0.470 nan 8.190 nan 0.000 0.431 36 L N 6.195 127.445 121.223 0.044 0.000 2.305 36 L HA 0.590 4.932 4.340 0.004 0.000 0.281 36 L C -0.426 176.506 176.870 0.104 0.000 1.085 36 L CA -0.197 54.651 54.840 0.013 0.000 0.813 36 L CB 1.120 42.866 42.059 -0.521 0.000 1.157 36 L HN 0.453 nan 8.230 nan 0.000 0.436 37 I N 2.650 123.410 120.570 0.317 0.000 2.465 37 I HA 0.313 4.486 4.170 0.004 0.000 0.291 37 I C -0.877 175.472 176.117 0.388 0.000 1.014 37 I CA -0.485 60.980 61.300 0.275 0.000 1.093 37 I CB 2.320 40.464 38.000 0.240 0.000 1.267 37 I HN 0.532 nan 8.210 nan 0.000 0.431 38 D N 6.784 127.358 120.400 0.289 0.000 2.481 38 D HA 0.349 4.992 4.640 0.004 0.000 0.246 38 D C -1.006 175.422 176.300 0.214 0.000 1.109 38 D CA -0.332 53.868 54.000 0.333 0.000 0.845 38 D CB 2.892 43.870 40.800 0.296 0.000 1.160 38 D HN 0.158 nan 8.370 nan 0.000 0.534 39 L N 2.513 123.850 121.223 0.191 0.000 2.277 39 L HA 0.539 4.882 4.340 0.004 0.000 0.284 39 L C -0.355 176.564 176.870 0.082 0.000 1.028 39 L CA -0.432 54.475 54.840 0.112 0.000 0.835 39 L CB 1.029 43.140 42.059 0.086 0.000 1.215 39 L HN 0.375 nan 8.230 nan 0.000 0.425 40 A N 3.185 126.047 122.820 0.070 0.000 2.316 40 A HA 0.746 5.068 4.320 0.004 0.000 0.284 40 A C 0.140 177.737 177.584 0.021 0.000 1.115 40 A CA 0.147 52.214 52.037 0.050 0.000 0.812 40 A CB 0.441 19.472 19.000 0.052 0.000 1.064 40 A HN 0.742 nan 8.150 nan 0.000 0.489 41 T N -1.911 112.645 114.554 0.003 0.000 2.916 41 T HA 0.488 4.840 4.350 0.004 0.000 0.292 41 T C 1.002 175.694 174.700 -0.014 0.000 1.064 41 T CA 0.103 62.195 62.100 -0.013 0.000 1.011 41 T CB 1.183 70.030 68.868 -0.036 0.000 1.152 41 T HN 1.149 nan 8.240 nan 0.000 0.510 42 S N 0.140 115.829 115.700 -0.018 0.000 2.474 42 S HA 0.044 4.516 4.470 0.004 0.000 0.235 42 S C 1.927 176.513 174.600 -0.023 0.000 0.997 42 S CA 0.380 58.570 58.200 -0.017 0.000 0.949 42 S CB -0.801 62.388 63.200 -0.018 0.000 0.766 42 S HN 1.083 nan 8.310 nan 0.000 0.517 43 A N 0.775 123.574 122.820 -0.035 0.000 2.259 43 A HA 0.574 4.897 4.320 0.004 0.000 0.208 43 A C 1.728 179.291 177.584 -0.035 0.000 1.201 43 A CA 0.369 52.381 52.037 -0.043 0.000 0.824 43 A CB -1.232 17.727 19.000 -0.068 0.000 0.838 43 A HN 1.440 nan 8.150 nan 0.000 0.485 44 G N -1.054 107.733 108.800 -0.022 0.000 2.155 44 G HA2 -0.166 3.796 3.960 0.004 0.000 0.257 44 G HA3 -0.166 3.796 3.960 0.004 0.000 0.257 44 G C 0.382 175.271 174.900 -0.019 0.000 0.983 44 G CA 0.756 45.848 45.100 -0.014 0.000 0.676 44 G HN 1.783 nan 8.290 nan 0.000 0.528 45 V N -2.686 117.207 119.914 -0.035 0.000 2.881 45 V HA 0.912 5.034 4.120 0.004 0.000 0.316 45 V C 0.227 176.295 176.094 -0.042 0.000 1.070 45 V CA -1.249 61.021 62.300 -0.050 0.000 0.976 45 V CB 2.380 34.156 31.823 -0.079 0.000 1.038 45 V HN 0.566 nan 8.190 nan 0.000 0.446 46 V N 2.876 122.753 119.914 -0.063 0.000 2.407 46 V HA 0.721 4.843 4.120 0.004 0.000 0.291 46 V C 0.889 176.869 176.094 -0.190 0.000 1.018 46 V CA 0.175 62.453 62.300 -0.036 0.000 0.842 46 V CB 1.227 33.110 31.823 0.099 0.000 0.996 46 V HN 1.297 nan 8.190 nan 0.000 0.426 47 G N 3.210 111.958 108.800 -0.087 0.000 2.415 47 G HA2 0.528 4.490 3.960 0.004 0.000 0.269 47 G HA3 0.528 4.490 3.960 0.004 0.000 0.269 47 G C -0.716 174.207 174.900 0.038 0.000 1.209 47 G CA -0.166 44.869 45.100 -0.109 0.000 0.835 47 G HN 0.670 nan 8.290 nan 0.000 0.534 48 H N -0.285 118.785 119.070 0.000 0.000 2.600 48 H HA 0.715 5.274 4.556 0.004 0.000 0.357 48 H C 0.119 175.480 175.328 0.056 0.000 1.106 48 H CA -0.815 55.246 56.048 0.021 0.000 1.193 48 H CB 1.990 31.555 29.762 -0.329 0.000 1.594 48 H HN 0.725 nan 8.280 nan 0.000 0.526 49 S N 1.325 117.236 115.700 0.350 0.000 2.656 49 S HA 0.724 5.196 4.470 0.004 0.000 0.273 49 S C -1.486 173.414 174.600 0.501 0.000 1.168 49 S CA -0.970 57.400 58.200 0.283 0.000 0.817 49 S CB 2.127 65.414 63.200 0.144 0.000 1.146 49 S HN 0.620 nan 8.310 nan 0.000 0.475 50 Y N -1.031 119.478 120.300 0.348 0.000 2.581 50 Y HA 0.854 5.407 4.550 0.004 0.000 0.345 50 Y C -1.673 174.455 175.900 0.381 0.000 1.036 50 Y CA -1.514 56.798 58.100 0.354 0.000 1.042 50 Y CB 0.958 39.634 38.460 0.359 0.000 1.289 50 Y HN 0.729 nan 8.280 nan 0.000 0.471 51 L N 2.882 124.378 121.223 0.455 0.000 2.342 51 L HA 0.506 4.849 4.340 0.004 0.000 0.271 51 L C -1.283 175.881 176.870 0.491 0.000 1.008 51 L CA -0.936 54.150 54.840 0.410 0.000 0.818 51 L CB 2.103 44.306 42.059 0.241 0.000 1.296 51 L HN 0.712 nan 8.230 nan 0.000 0.427 52 F N 1.308 121.417 119.950 0.265 0.000 2.427 52 F HA 0.556 5.086 4.527 0.003 0.000 0.346 52 F C 0.516 176.255 175.800 -0.102 0.000 1.120 52 F CA -0.949 57.044 58.000 -0.011 0.000 1.033 52 F CB 1.764 40.610 39.000 -0.257 0.000 1.126 52 F HN 0.473 nan 8.300 nan 0.000 0.462 53 A N 4.715 127.316 122.820 -0.365 0.000 2.238 53 A HA 0.166 4.488 4.320 0.004 0.000 0.210 53 A C 0.830 178.154 177.584 -0.434 0.000 1.179 53 A CA 0.710 52.581 52.037 -0.277 0.000 0.827 53 A CB -0.915 18.027 19.000 -0.097 0.000 0.856 53 A HN 1.015 nan 8.150 nan 0.000 0.488 54 Y N -1.432 118.129 120.300 -1.231 0.000 2.818 54 Y HA -0.283 4.270 4.550 0.005 0.000 0.487 54 Y C 1.021 176.698 175.900 -0.372 0.000 1.146 54 Y CA 1.770 59.315 58.100 -0.925 0.000 2.839 54 Y CB -1.552 36.652 38.460 -0.426 0.000 0.893 54 Y HN 0.509 nan 8.280 nan 0.000 0.545 55 T N -0.104 114.401 114.554 -0.081 0.000 2.912 55 T HA 0.502 4.855 4.350 0.004 0.000 0.299 55 T C -2.320 172.363 174.700 -0.027 0.000 1.052 55 T CA -1.552 60.534 62.100 -0.022 0.000 0.996 55 T CB 2.225 71.100 68.868 0.011 0.000 1.070 55 T HN -0.223 nan 8.240 nan 0.000 0.465 56 P HA -0.091 nan 4.420 nan 0.000 0.217 56 P C 1.638 178.939 177.300 0.002 0.000 1.148 56 P CA 0.677 63.776 63.100 -0.001 0.000 0.828 56 P CB 0.051 31.755 31.700 0.007 0.000 0.783 57 V N -0.110 119.807 119.914 0.004 0.000 2.469 57 V HA -0.243 3.879 4.120 0.004 0.000 0.251 57 V C 2.197 178.295 176.094 0.007 0.000 1.064 57 V CA 2.278 64.582 62.300 0.006 0.000 1.066 57 V CB -1.541 30.286 31.823 0.006 0.000 0.667 57 V HN 0.152 nan 8.190 nan 0.000 0.461 58 A N -1.273 121.550 122.820 0.005 0.000 2.308 58 A HA 0.194 4.517 4.320 0.004 0.000 0.217 58 A C 1.832 179.423 177.584 0.012 0.000 1.216 58 A CA 0.298 52.341 52.037 0.010 0.000 0.864 58 A CB -0.111 18.899 19.000 0.017 0.000 0.902 58 A HN 0.416 nan 8.150 nan 0.000 0.499 59 L N 0.159 121.386 121.223 0.007 0.000 1.988 59 L HA -0.051 4.291 4.340 0.004 0.000 0.207 59 L C 2.100 178.982 176.870 0.019 0.000 1.071 59 L CA 2.184 57.032 54.840 0.013 0.000 0.744 59 L CB -0.441 41.623 42.059 0.009 0.000 0.893 59 L HN 0.289 nan 8.230 nan 0.000 0.433 60 K N -1.028 119.382 120.400 0.017 0.000 2.147 60 K HA -0.127 4.196 4.320 0.004 0.000 0.205 60 K C 2.320 178.933 176.600 0.022 0.000 1.049 60 K CA 1.252 57.550 56.287 0.018 0.000 0.936 60 K CB -0.298 32.211 32.500 0.016 0.000 0.722 60 K HN 0.393 nan 8.250 nan 0.000 0.446 61 S N 1.121 116.833 115.700 0.021 0.000 2.368 61 S HA -0.127 4.345 4.470 0.004 0.000 0.225 61 S C 1.883 176.499 174.600 0.026 0.000 1.030 61 S CA 0.878 59.092 58.200 0.023 0.000 0.999 61 S CB -0.130 63.082 63.200 0.019 0.000 0.844 61 S HN 0.222 nan 8.310 nan 0.000 0.459 62 L N 2.068 123.308 121.223 0.029 0.000 2.056 62 L HA 0.094 4.436 4.340 0.004 0.000 0.207 62 L C 2.305 179.200 176.870 0.041 0.000 1.078 62 L CA 2.210 57.071 54.840 0.035 0.000 0.749 62 L CB -0.931 41.155 42.059 0.045 0.000 0.901 62 L HN 0.343 nan 8.230 nan 0.000 0.433 63 K N -1.004 119.420 120.400 0.040 0.000 2.057 63 K HA -0.282 4.040 4.320 0.004 0.000 0.207 63 K C 2.231 178.855 176.600 0.041 0.000 1.049 63 K CA 1.750 58.062 56.287 0.041 0.000 0.931 63 K CB -0.208 32.311 32.500 0.032 0.000 0.714 63 K HN 0.331 nan 8.250 nan 0.000 0.440 64 Q N 0.817 120.639 119.800 0.036 0.000 2.096 64 Q HA -0.169 4.173 4.340 0.004 0.000 0.204 64 Q C 1.948 177.977 176.000 0.049 0.000 0.982 64 Q CA 1.602 57.428 55.803 0.039 0.000 0.850 64 Q CB -0.390 28.368 28.738 0.034 0.000 0.901 64 Q HN 0.404 nan 8.270 nan 0.000 0.422 65 L N -0.420 120.831 121.223 0.047 0.000 2.017 65 L HA -0.097 4.245 4.340 0.004 0.000 0.208 65 L C 2.030 178.942 176.870 0.069 0.000 1.073 65 L CA 1.690 56.563 54.840 0.055 0.000 0.745 65 L CB -0.650 41.426 42.059 0.029 0.000 0.894 65 L HN 0.388 nan 8.230 nan 0.000 0.432 66 L N -0.630 120.629 121.223 0.061 0.000 2.046 66 L HA -0.226 4.117 4.340 0.004 0.000 0.208 66 L C 2.227 179.142 176.870 0.075 0.000 1.077 66 L CA 1.378 56.262 54.840 0.073 0.000 0.747 66 L CB -0.728 41.373 42.059 0.071 0.000 0.896 66 L HN 0.304 nan 8.230 nan 0.000 0.432 67 D N -0.236 120.202 120.400 0.063 0.000 2.144 67 D HA -0.175 4.468 4.640 0.004 0.000 0.199 67 D C 1.673 178.010 176.300 0.063 0.000 0.984 67 D CA 1.139 55.173 54.000 0.057 0.000 0.834 67 D CB -0.167 40.661 40.800 0.045 0.000 0.955 67 D HN 0.310 nan 8.370 nan 0.000 0.465 68 D N -0.459 119.984 120.400 0.072 0.000 2.317 68 D HA 0.025 4.668 4.640 0.004 0.000 0.211 68 D C 1.941 178.302 176.300 0.101 0.000 0.966 68 D CA 0.256 54.303 54.000 0.078 0.000 0.876 68 D CB 0.017 40.867 40.800 0.082 0.000 0.927 68 D HN 0.261 nan 8.370 nan 0.000 0.519 69 M N 0.245 119.920 119.600 0.125 0.000 2.447 69 M HA 0.042 4.525 4.480 0.004 0.000 0.264 69 M C 2.197 178.563 176.300 0.110 0.000 1.095 69 M CA 0.316 55.710 55.300 0.158 0.000 1.125 69 M CB 0.126 32.846 32.600 0.200 0.000 1.389 69 M HN -0.073 nan 8.290 nan 0.000 0.459 70 A N 1.036 123.908 122.820 0.086 0.000 1.940 70 A HA -0.261 4.061 4.320 0.004 0.000 0.221 70 A C 2.357 179.974 177.584 0.054 0.000 1.190 70 A CA 2.299 54.377 52.037 0.068 0.000 0.647 70 A CB -1.054 17.981 19.000 0.057 0.000 0.821 70 A HN 0.526 nan 8.150 nan 0.000 0.457 71 A N 0.160 123.009 122.820 0.047 0.000 1.978 71 A HA -0.158 4.165 4.320 0.004 0.000 0.220 71 A C 2.228 179.827 177.584 0.026 0.000 1.170 71 A CA 2.032 54.088 52.037 0.032 0.000 0.636 71 A CB -0.722 18.293 19.000 0.026 0.000 0.810 71 A HN 0.847 nan 8.150 nan 0.000 0.448 72 M N -0.841 118.779 119.600 0.033 0.000 2.506 72 M HA 0.190 4.673 4.480 0.004 0.000 0.260 72 M C 1.733 178.049 176.300 0.026 0.000 1.104 72 M CA 1.433 56.743 55.300 0.018 0.000 1.112 72 M CB -0.539 32.064 32.600 0.005 0.000 1.401 72 M HN 0.503 nan 8.290 nan 0.000 0.473 73 I N -1.896 118.698 120.570 0.041 0.000 3.854 73 I HA 0.257 4.430 4.170 0.004 0.000 0.312 73 I C 0.353 176.484 176.117 0.023 0.000 1.273 73 I CA -0.396 60.925 61.300 0.035 0.000 1.298 73 I CB 0.194 38.224 38.000 0.051 0.000 1.071 73 I HN -0.106 nan 8.210 nan 0.000 0.428 74 V N 4.617 124.546 119.914 0.024 0.000 2.673 74 V HA 0.060 4.182 4.120 0.004 0.000 0.303 74 V C 0.663 176.762 176.094 0.009 0.000 1.046 74 V CA 0.593 62.904 62.300 0.018 0.000 1.126 74 V CB 0.092 31.928 31.823 0.022 0.000 0.934 74 V HN 0.725 nan 8.190 nan 0.000 0.487 75 N N 1.592 120.295 118.700 0.004 0.000 2.878 75 N HA -0.138 4.604 4.740 0.004 0.000 0.247 75 N C 0.177 175.683 175.510 -0.007 0.000 1.021 75 N CA 0.959 54.007 53.050 -0.002 0.000 0.873 75 N CB -0.557 37.929 38.487 -0.002 0.000 1.128 75 N HN 0.747 nan 8.380 nan 0.000 0.571 76 E N 0.633 120.829 120.200 -0.007 0.000 2.319 76 E HA 0.391 4.743 4.350 0.004 0.000 0.268 76 E C -2.140 174.448 176.600 -0.021 0.000 1.050 76 E CA -1.725 54.668 56.400 -0.012 0.000 0.878 76 E CB 0.485 30.180 29.700 -0.008 0.000 1.066 76 E HN 0.065 nan 8.360 nan 0.000 0.406 77 P HA -0.017 nan 4.420 nan 0.000 0.266 77 P C -0.125 177.142 177.300 -0.055 0.000 1.195 77 P CA -0.327 62.750 63.100 -0.039 0.000 0.768 77 P CB 0.353 32.030 31.700 -0.038 0.000 0.838 78 L N 3.021 124.202 121.223 -0.069 0.000 2.415 78 L HA 0.402 4.744 4.340 0.004 0.000 0.269 78 L C -0.232 176.550 176.870 -0.145 0.000 1.244 78 L CA 0.250 55.029 54.840 -0.101 0.000 1.113 78 L CB -1.509 40.489 42.059 -0.102 0.000 1.352 78 L HN 0.370 nan 8.230 nan 0.000 0.433 79 A N 5.662 128.391 122.820 -0.151 0.000 2.855 79 A HA 0.574 4.897 4.320 0.004 0.000 0.313 79 A C -1.989 175.477 177.584 -0.198 0.000 1.173 79 A CA -0.848 51.078 52.037 -0.185 0.000 0.753 79 A CB 0.539 19.475 19.000 -0.106 0.000 1.200 79 A HN 0.518 nan 8.150 nan 0.000 0.442 80 P HA -0.184 nan 4.420 nan 0.000 0.216 80 P C 1.658 178.935 177.300 -0.038 0.000 1.154 80 P CA 1.407 64.352 63.100 -0.258 0.000 0.865 80 P CB 0.223 31.517 31.700 -0.678 0.000 0.789 81 V N -0.492 119.415 119.914 -0.010 0.000 2.358 81 V HA -0.206 3.916 4.120 0.004 0.000 0.246 81 V C 2.397 178.516 176.094 0.042 0.000 1.047 81 V CA 2.327 64.678 62.300 0.085 0.000 1.035 81 V CB -1.376 30.509 31.823 0.103 0.000 0.658 81 V HN 0.160 nan 8.190 nan 0.000 0.452 82 S N -0.250 115.449 115.700 -0.000 0.000 2.383 82 S HA -0.039 4.434 4.470 0.004 0.000 0.227 82 S C 1.898 176.500 174.600 0.002 0.000 1.026 82 S CA 1.196 59.394 58.200 -0.003 0.000 0.981 82 S CB -0.261 62.926 63.200 -0.021 0.000 0.818 82 S HN 0.434 nan 8.310 nan 0.000 0.472 83 L N 1.319 122.542 121.223 0.000 0.000 2.056 83 L HA -0.087 4.255 4.340 0.004 0.000 0.207 83 L C 2.878 179.781 176.870 0.054 0.000 1.078 83 L CA 1.219 56.070 54.840 0.019 0.000 0.749 83 L CB -0.418 41.651 42.059 0.016 0.000 0.901 83 L HN 0.294 nan 8.230 nan 0.000 0.433 84 E N 0.639 120.887 120.200 0.081 0.000 2.077 84 E HA -0.225 4.127 4.350 0.004 0.000 0.193 84 E C 2.099 178.743 176.600 0.074 0.000 0.989 84 E CA 1.462 57.941 56.400 0.131 0.000 0.800 84 E CB 0.095 29.896 29.700 0.169 0.000 0.746 84 E HN 0.422 nan 8.360 nan 0.000 0.452 85 A N 1.532 124.375 122.820 0.038 0.000 1.933 85 A HA -0.151 4.171 4.320 0.004 0.000 0.218 85 A C 2.272 179.828 177.584 -0.047 0.000 1.175 85 A CA 1.767 53.801 52.037 -0.006 0.000 0.628 85 A CB -0.578 18.421 19.000 -0.001 0.000 0.814 85 A HN 0.358 nan 8.150 nan 0.000 0.444 86 M N -0.317 119.267 119.600 -0.027 0.000 2.132 86 M HA -0.037 4.445 4.480 0.004 0.000 0.263 86 M C 1.906 178.173 176.300 -0.056 0.000 1.065 86 M CA 1.575 56.850 55.300 -0.042 0.000 1.122 86 M CB -0.644 31.943 32.600 -0.021 0.000 1.365 86 M HN 0.432 nan 8.290 nan 0.000 0.411 87 L N 0.196 121.416 121.223 -0.006 0.000 2.093 87 L HA -0.136 4.207 4.340 0.004 0.000 0.208 87 L C 2.725 179.479 176.870 -0.193 0.000 1.085 87 L CA 1.059 55.939 54.840 0.067 0.000 0.755 87 L CB -0.998 41.212 42.059 0.252 0.000 0.904 87 L HN 0.338 nan 8.230 nan 0.000 0.435 88 A N 0.046 122.547 122.820 -0.531 0.000 1.933 88 A HA -0.253 4.069 4.320 0.004 0.000 0.218 88 A C 2.414 179.721 177.584 -0.462 0.000 1.175 88 A CA 1.923 53.318 52.037 -1.070 0.000 0.628 88 A CB -0.391 18.242 19.000 -0.612 0.000 0.814 88 A HN 0.321 nan 8.150 nan 0.000 0.444 89 K N -0.950 119.304 120.400 -0.244 0.000 2.103 89 K HA -0.109 4.214 4.320 0.004 0.000 0.204 89 K C 2.127 178.637 176.600 -0.151 0.000 1.052 89 K CA 0.755 56.952 56.287 -0.149 0.000 0.945 89 K CB -0.070 32.365 32.500 -0.107 0.000 0.722 89 K HN 0.228 nan 8.250 nan 0.000 0.443 90 R N -0.183 120.199 120.500 -0.197 0.000 2.115 90 R HA -0.091 4.251 4.340 0.004 0.000 0.230 90 R C 1.394 177.451 176.300 -0.406 0.000 1.111 90 R CA 1.091 56.991 56.100 -0.334 0.000 0.976 90 R CB -0.383 29.615 30.300 -0.504 0.000 0.870 90 R HN 0.210 nan 8.270 nan 0.000 0.445 91 F N -0.884 119.025 119.950 -0.068 0.000 2.639 91 F HA 0.142 4.671 4.527 0.004 0.000 0.300 91 F C 1.921 177.738 175.800 0.028 0.000 1.109 91 F CA -0.897 57.114 58.000 0.019 0.000 1.335 91 F CB -0.496 38.585 39.000 0.135 0.000 1.014 91 F HN -0.029 nan 8.300 nan 0.000 0.537 92 C N 0.449 119.801 119.300 0.087 0.000 2.363 92 C HA -0.250 4.213 4.460 0.004 0.000 0.274 92 C C 2.711 177.751 174.990 0.083 0.000 1.183 92 C CA 1.780 60.831 59.018 0.055 0.000 1.771 92 C CB -0.919 26.818 27.740 -0.006 0.000 2.059 92 C HN 0.540 nan 8.230 nan 0.000 0.455 93 L N 0.223 121.487 121.223 0.069 0.000 2.127 93 L HA 0.082 4.424 4.340 0.004 0.000 0.203 93 L C 2.885 179.813 176.870 0.096 0.000 1.080 93 L CA 1.257 56.135 54.840 0.064 0.000 0.768 93 L CB -0.853 41.228 42.059 0.036 0.000 0.924 93 L HN 0.341 nan 8.230 nan 0.000 0.444 94 A N 0.226 123.133 122.820 0.146 0.000 1.933 94 A HA 0.210 4.533 4.320 0.004 0.000 0.218 94 A C 1.278 178.955 177.584 0.155 0.000 1.175 94 A CA 1.254 53.393 52.037 0.171 0.000 0.628 94 A CB -0.572 18.599 19.000 0.285 0.000 0.814 94 A HN 0.509 nan 8.150 nan 0.000 0.444 95 G N -2.472 106.441 108.800 0.188 0.000 3.152 95 G HA2 0.005 3.967 3.960 0.004 0.000 0.666 95 G HA3 0.005 3.967 3.960 0.004 0.000 0.666 95 G C -0.593 174.425 174.900 0.196 0.000 1.205 95 G CA -0.174 45.019 45.100 0.155 0.000 1.178 95 G HN 0.794 nan 8.290 nan 0.000 0.510 96 Y N 3.197 123.539 120.300 0.070 0.000 2.667 96 Y HA 0.623 5.175 4.550 0.003 0.000 0.340 96 Y C 0.728 176.639 175.900 0.018 0.000 1.303 96 Y CA 0.470 58.599 58.100 0.047 0.000 1.769 96 Y CB 0.241 38.758 38.460 0.096 0.000 1.804 96 Y HN 0.822 nan 8.280 nan 0.000 0.451 97 T N 0.445 114.940 114.554 -0.098 0.000 2.665 97 T HA 0.584 4.937 4.350 0.004 0.000 0.303 97 T C 0.344 174.984 174.700 -0.101 0.000 1.334 97 T CA 0.168 62.198 62.100 -0.117 0.000 1.011 97 T CB 0.517 69.370 68.868 -0.024 0.000 1.573 97 T HN 0.870 nan 8.240 nan 0.000 0.492 98 G N 0.828 109.589 108.800 -0.065 0.000 2.596 98 G HA2 -0.241 3.721 3.960 0.004 0.000 0.295 98 G HA3 -0.241 3.721 3.960 0.004 0.000 0.295 98 G C 1.018 175.886 174.900 -0.054 0.000 1.240 98 G CA 0.606 45.678 45.100 -0.046 0.000 0.985 98 G HN 0.972 nan 8.290 nan 0.000 0.555 99 L N 0.333 121.530 121.223 -0.043 0.000 2.083 99 L HA 0.012 4.355 4.340 0.004 0.000 0.209 99 L C 3.068 179.885 176.870 -0.089 0.000 1.083 99 L CA 1.461 56.279 54.840 -0.036 0.000 0.752 99 L CB -0.534 41.513 42.059 -0.019 0.000 0.899 99 L HN 0.521 nan 8.230 nan 0.000 0.433 100 I N -0.359 120.118 120.570 -0.156 0.000 2.226 100 I HA -0.286 3.886 4.170 0.004 0.000 0.245 100 I C 2.806 178.756 176.117 -0.278 0.000 1.100 100 I CA 1.002 62.122 61.300 -0.300 0.000 1.374 100 I CB -0.210 37.527 38.000 -0.439 0.000 1.057 100 I HN 0.209 nan 8.210 nan 0.000 0.413 101 R N 1.085 121.421 120.500 -0.273 0.000 2.073 101 R HA -0.059 4.283 4.340 0.004 0.000 0.229 101 R C 2.181 178.377 176.300 -0.174 0.000 1.120 101 R CA 1.565 57.446 56.100 -0.365 0.000 0.967 101 R CB -0.343 29.724 30.300 -0.388 0.000 0.862 101 R HN 0.209 nan 8.270 nan 0.000 0.436 102 M N -0.468 119.079 119.600 -0.089 0.000 2.108 102 M HA -0.122 4.360 4.480 0.004 0.000 0.261 102 M C 2.200 178.498 176.300 -0.004 0.000 1.066 102 M CA 1.976 57.270 55.300 -0.012 0.000 1.107 102 M CB -0.295 32.334 32.600 0.049 0.000 1.356 102 M HN 0.314 nan 8.290 nan 0.000 0.406 103 A N 0.322 123.128 122.820 -0.023 0.000 1.858 103 A HA -0.065 4.257 4.320 0.004 0.000 0.216 103 A C 2.375 179.973 177.584 0.024 0.000 1.190 103 A CA 1.910 53.950 52.037 0.005 0.000 0.617 103 A CB -1.156 17.832 19.000 -0.019 0.000 0.827 103 A HN 0.487 nan 8.150 nan 0.000 0.443 104 A N -0.181 122.647 122.820 0.014 0.000 1.948 104 A HA 0.053 4.376 4.320 0.004 0.000 0.220 104 A C 2.458 180.089 177.584 0.079 0.000 1.177 104 A CA 2.391 54.483 52.037 0.091 0.000 0.636 104 A CB -0.971 18.132 19.000 0.172 0.000 0.815 104 A HN 1.135 nan 8.150 nan 0.000 0.449 105 A N -0.748 122.088 122.820 0.027 0.000 1.969 105 A HA 0.201 4.524 4.320 0.004 0.000 0.218 105 A C 2.372 179.962 177.584 0.010 0.000 1.169 105 A CA 1.707 53.754 52.037 0.016 0.000 0.635 105 A CB -1.217 17.762 19.000 -0.034 0.000 0.810 105 A HN 0.717 nan 8.150 nan 0.000 0.445 106 G N 0.123 108.934 108.800 0.018 0.000 2.422 106 G HA2 -0.169 3.793 3.960 0.004 0.000 0.218 106 G HA3 -0.169 3.793 3.960 0.004 0.000 0.218 106 G C 1.504 176.449 174.900 0.076 0.000 1.146 106 G CA 1.087 46.212 45.100 0.041 0.000 0.769 106 G HN 0.471 nan 8.290 nan 0.000 0.547 107 I N 0.700 121.321 120.570 0.086 0.000 2.226 107 I HA -0.142 4.030 4.170 0.004 0.000 0.245 107 I C 2.407 178.582 176.117 0.097 0.000 1.100 107 I CA 1.561 62.917 61.300 0.094 0.000 1.374 107 I CB -0.223 37.836 38.000 0.097 0.000 1.057 107 I HN 0.174 nan 8.210 nan 0.000 0.413 108 D N 0.927 121.396 120.400 0.115 0.000 2.097 108 D HA -0.214 4.428 4.640 0.004 0.000 0.195 108 D C 2.342 178.781 176.300 0.231 0.000 0.989 108 D CA 1.536 55.642 54.000 0.177 0.000 0.827 108 D CB 0.039 40.963 40.800 0.205 0.000 0.966 108 D HN 0.170 nan 8.370 nan 0.000 0.456 109 M N -0.180 119.502 119.600 0.137 0.000 2.296 109 M HA -0.054 4.429 4.480 0.004 0.000 0.265 109 M C 2.210 178.574 176.300 0.106 0.000 1.064 109 M CA 1.192 56.551 55.300 0.098 0.000 1.109 109 M CB -0.060 32.522 32.600 -0.031 0.000 1.396 109 M HN 0.135 nan 8.290 nan 0.000 0.430 110 A N 0.230 123.111 122.820 0.101 0.000 1.930 110 A HA 0.125 4.447 4.320 0.004 0.000 0.215 110 A C 2.358 179.978 177.584 0.060 0.000 1.176 110 A CA 1.420 53.512 52.037 0.092 0.000 0.632 110 A CB -0.668 18.404 19.000 0.121 0.000 0.819 110 A HN 0.445 nan 8.150 nan 0.000 0.445 111 A N -1.341 121.508 122.820 0.048 0.000 1.933 111 A HA -0.142 4.180 4.320 0.004 0.000 0.218 111 A C 1.945 179.487 177.584 -0.071 0.000 1.175 111 A CA 1.287 53.298 52.037 -0.043 0.000 0.628 111 A CB -0.808 18.129 19.000 -0.105 0.000 0.814 111 A HN 0.737 nan 8.150 nan 0.000 0.444 112 W N -0.241 121.044 121.300 -0.027 0.000 2.436 112 W HA -0.016 4.647 4.660 0.004 0.000 0.284 112 W C 1.945 178.421 176.519 -0.072 0.000 1.225 112 W CA 0.997 58.318 57.345 -0.040 0.000 1.271 112 W CB -0.086 29.344 29.460 -0.050 0.000 1.114 112 W HN 0.519 nan 8.180 nan 0.000 0.559 113 D N -0.026 120.443 120.400 0.116 0.000 2.097 113 D HA -0.185 4.457 4.640 0.004 0.000 0.195 113 D C 2.212 178.486 176.300 -0.043 0.000 0.989 113 D CA 2.048 56.044 54.000 -0.006 0.000 0.827 113 D CB -0.373 40.395 40.800 -0.054 0.000 0.966 113 D HN -0.023 nan 8.370 nan 0.000 0.456 114 A N -0.087 122.702 122.820 -0.051 0.000 1.933 114 A HA -0.109 4.213 4.320 0.004 0.000 0.218 114 A C 2.152 179.692 177.584 -0.074 0.000 1.175 114 A CA 1.245 53.235 52.037 -0.078 0.000 0.628 114 A CB -0.861 18.097 19.000 -0.071 0.000 0.814 114 A HN 0.384 nan 8.150 nan 0.000 0.444 115 L N -0.070 121.121 121.223 -0.053 0.000 2.093 115 L HA 0.018 4.360 4.340 0.004 0.000 0.208 115 L C 2.462 179.369 176.870 0.061 0.000 1.085 115 L CA 2.005 56.825 54.840 -0.033 0.000 0.755 115 L CB -1.029 40.980 42.059 -0.084 0.000 0.904 115 L HN 0.326 nan 8.230 nan 0.000 0.435 116 G N -0.969 107.882 108.800 0.086 0.000 2.418 116 G HA2 -0.274 3.688 3.960 0.004 0.000 0.217 116 G HA3 -0.274 3.688 3.960 0.004 0.000 0.217 116 G C 1.729 176.643 174.900 0.024 0.000 1.158 116 G CA 0.813 45.964 45.100 0.085 0.000 0.771 116 G HN 0.362 nan 8.290 nan 0.000 0.545 117 K N -0.160 120.219 120.400 -0.035 0.000 2.057 117 K HA 0.010 4.332 4.320 0.004 0.000 0.207 117 K C 2.578 179.125 176.600 -0.088 0.000 1.049 117 K CA 0.906 57.155 56.287 -0.063 0.000 0.931 117 K CB -0.306 32.136 32.500 -0.098 0.000 0.714 117 K HN 0.177 nan 8.250 nan 0.000 0.440 118 V N 1.062 120.887 119.914 -0.150 0.000 2.332 118 V HA -0.243 3.880 4.120 0.004 0.000 0.248 118 V C 1.666 177.563 176.094 -0.329 0.000 1.055 118 V CA 1.682 63.823 62.300 -0.265 0.000 1.038 118 V CB -0.489 31.107 31.823 -0.378 0.000 0.651 118 V HN 0.384 nan 8.190 nan 0.000 0.450 119 H N -0.374 118.689 119.070 -0.012 0.000 2.524 119 H HA 0.205 4.763 4.556 0.004 0.000 0.280 119 H C 0.733 176.062 175.328 0.000 0.000 1.018 119 H CA 0.011 56.057 56.048 -0.002 0.000 1.165 119 H CB -0.263 29.504 29.762 0.008 0.000 1.411 119 H HN 0.606 nan 8.280 nan 0.000 0.569 120 E N 0.837 121.067 120.200 0.050 0.000 2.294 120 E HA -0.190 4.163 4.350 0.004 0.000 0.228 120 E C -0.174 176.457 176.600 0.051 0.000 1.253 120 E CA 0.682 57.102 56.400 0.034 0.000 0.716 120 E CB -1.223 28.492 29.700 0.025 0.000 1.184 120 E HN 0.207 nan 8.360 nan 0.000 0.374 121 T N -0.407 114.188 114.554 0.068 0.000 2.912 121 T HA 0.444 4.796 4.350 0.004 0.000 0.299 121 T C -2.769 171.969 174.700 0.065 0.000 1.052 121 T CA -2.222 59.918 62.100 0.066 0.000 0.996 121 T CB 1.672 70.587 68.868 0.079 0.000 1.070 121 T HN -0.231 nan 8.240 nan 0.000 0.465 122 P HA 0.078 nan 4.420 nan 0.000 0.266 122 P C 0.900 178.262 177.300 0.104 0.000 1.195 122 P CA -0.371 62.801 63.100 0.120 0.000 0.768 122 P CB 0.437 32.233 31.700 0.160 0.000 0.838 123 L N 5.616 126.845 121.223 0.009 0.000 2.043 123 L HA -0.186 4.157 4.340 0.004 0.000 0.212 123 L C 2.115 179.023 176.870 0.062 0.000 1.075 123 L CA 1.910 56.724 54.840 -0.044 0.000 0.752 123 L CB -1.206 40.649 42.059 -0.340 0.000 0.891 123 L HN 0.234 nan 8.230 nan 0.000 0.432 124 V N -0.534 119.533 119.914 0.256 0.000 2.392 124 V HA -0.310 3.812 4.120 0.004 0.000 0.249 124 V C 2.514 178.640 176.094 0.053 0.000 1.059 124 V CA 2.232 64.606 62.300 0.122 0.000 1.051 124 V CB -0.425 31.448 31.823 0.084 0.000 0.658 124 V HN 0.620 nan 8.190 nan 0.000 0.455 125 K N -0.710 119.727 120.400 0.063 0.000 2.228 125 K HA -0.004 4.318 4.320 0.004 0.000 0.202 125 K C 1.900 178.525 176.600 0.040 0.000 1.051 125 K CA 1.058 57.368 56.287 0.038 0.000 0.960 125 K CB -0.131 32.391 32.500 0.036 0.000 0.743 125 K HN 0.392 nan 8.250 nan 0.000 0.458 126 L N 1.241 122.501 121.223 0.061 0.000 2.156 126 L HA -0.060 4.282 4.340 0.004 0.000 0.208 126 L C 1.661 178.578 176.870 0.078 0.000 1.095 126 L CA 1.385 56.276 54.840 0.085 0.000 0.770 126 L CB -0.110 42.044 42.059 0.159 0.000 0.914 126 L HN 0.095 nan 8.230 nan 0.000 0.439 127 L N -0.839 120.399 121.223 0.025 0.000 2.478 127 L HA 0.153 4.495 4.340 0.004 0.000 0.223 127 L C 1.486 178.360 176.870 0.006 0.000 1.140 127 L CA 0.700 55.529 54.840 -0.019 0.000 0.842 127 L CB -0.627 41.378 42.059 -0.089 0.000 0.953 127 L HN 0.532 nan 8.230 nan 0.000 0.452 128 G N -0.397 108.412 108.800 0.015 0.000 2.148 128 G HA2 -0.129 3.833 3.960 0.004 0.000 0.203 128 G HA3 -0.129 3.833 3.960 0.004 0.000 0.203 128 G C 0.099 175.004 174.900 0.008 0.000 0.993 128 G CA -0.098 45.010 45.100 0.013 0.000 0.661 128 G HN 0.496 nan 8.290 nan 0.000 0.518 129 A N -0.467 122.357 122.820 0.007 0.000 2.350 129 A HA 0.825 5.147 4.320 0.004 0.000 0.318 129 A C -0.061 177.522 177.584 -0.002 0.000 1.132 129 A CA -0.702 51.337 52.037 0.003 0.000 0.811 129 A CB 0.916 19.918 19.000 0.003 0.000 1.313 129 A HN 0.205 nan 8.150 nan 0.000 0.454 130 N N 0.518 119.213 118.700 -0.009 0.000 2.524 130 N HA 0.481 5.224 4.740 0.004 0.000 0.283 130 N C -0.001 175.490 175.510 -0.033 0.000 1.142 130 N CA 0.113 53.153 53.050 -0.017 0.000 0.984 130 N CB 1.617 40.094 38.487 -0.017 0.000 1.155 130 N HN 0.807 nan 8.380 nan 0.000 0.467 131 A N 2.118 124.909 122.820 -0.048 0.000 2.440 131 A HA 0.388 4.711 4.320 0.004 0.000 0.251 131 A C 0.426 177.966 177.584 -0.072 0.000 1.089 131 A CA -0.119 51.868 52.037 -0.083 0.000 0.779 131 A CB 0.116 19.053 19.000 -0.104 0.000 1.022 131 A HN 0.816 nan 8.150 nan 0.000 0.492 132 R N 1.470 121.923 120.500 -0.080 0.000 2.774 132 R HA 0.688 5.031 4.340 0.004 0.000 0.272 132 R C -3.324 172.929 176.300 -0.078 0.000 1.000 132 R CA -1.904 54.157 56.100 -0.065 0.000 0.906 132 R CB 0.595 30.868 30.300 -0.045 0.000 1.227 132 R HN 0.368 nan 8.270 nan 0.000 0.468 133 P HA 0.122 nan 4.420 nan 0.000 0.271 133 P C -0.940 176.325 177.300 -0.059 0.000 1.216 133 P CA -0.520 62.534 63.100 -0.077 0.000 0.771 133 P CB 0.916 32.576 31.700 -0.067 0.000 0.864 134 V N 3.992 123.878 119.914 -0.047 0.000 2.409 134 V HA 0.198 4.320 4.120 0.004 0.000 0.291 134 V C 0.473 176.580 176.094 0.022 0.000 1.020 134 V CA -0.773 61.518 62.300 -0.014 0.000 0.848 134 V CB 1.108 32.942 31.823 0.019 0.000 0.990 134 V HN 0.605 nan 8.190 nan 0.000 0.430 135 Q N 3.735 123.510 119.800 -0.042 0.000 2.333 135 Q HA 0.506 4.848 4.340 0.004 0.000 0.299 135 Q C -0.185 175.963 176.000 0.247 0.000 1.067 135 Q CA 0.080 55.870 55.803 -0.022 0.000 0.943 135 Q CB 0.722 29.219 28.738 -0.401 0.000 1.233 135 Q HN 0.835 nan 8.270 nan 0.000 0.401 136 A N 2.756 125.868 122.820 0.487 0.000 2.435 136 A HA 0.646 4.968 4.320 0.004 0.000 0.304 136 A C -1.549 176.394 177.584 0.599 0.000 1.064 136 A CA -0.925 51.455 52.037 0.571 0.000 0.727 136 A CB 1.054 20.403 19.000 0.583 0.000 1.284 136 A HN 0.751 nan 8.150 nan 0.000 0.415 137 Y N -0.416 119.991 120.300 0.178 0.000 2.487 137 Y HA 0.729 5.281 4.550 0.004 0.000 0.337 137 Y C -0.547 175.082 175.900 -0.452 0.000 1.076 137 Y CA -1.493 56.456 58.100 -0.251 0.000 1.115 137 Y CB 1.116 39.175 38.460 -0.669 0.000 1.235 137 Y HN 0.505 nan 8.280 nan 0.000 0.468 138 D N 1.526 121.582 120.400 -0.573 0.000 2.280 138 D HA 0.202 4.844 4.640 0.004 0.000 0.243 138 D C -0.914 174.995 176.300 -0.653 0.000 1.129 138 D CA 0.064 53.571 54.000 -0.822 0.000 0.848 138 D CB 1.365 41.563 40.800 -1.003 0.000 1.107 138 D HN 0.601 nan 8.370 nan 0.000 0.471 139 S N 3.299 118.720 115.700 -0.466 0.000 2.430 139 S HA 0.292 4.764 4.470 0.004 0.000 0.289 139 S C -0.422 174.078 174.600 -0.167 0.000 1.143 139 S CA -0.348 57.708 58.200 -0.240 0.000 1.067 139 S CB 0.052 63.184 63.200 -0.114 0.000 0.964 139 S HN 0.488 nan 8.310 nan 0.000 0.485 140 H N 1.585 120.602 119.070 -0.089 0.000 3.065 140 H HA 0.678 5.237 4.556 0.004 0.000 0.279 140 H C 0.669 175.958 175.328 -0.064 0.000 1.594 140 H CA -0.981 55.002 56.048 -0.108 0.000 1.547 140 H CB 1.398 31.078 29.762 -0.136 0.000 1.771 140 H HN 0.673 nan 8.280 nan 0.000 0.871 141 S N -0.159 115.592 115.700 0.085 0.000 3.516 141 S HA 0.274 4.746 4.470 0.004 0.000 0.288 141 S C -0.833 173.816 174.600 0.081 0.000 1.051 141 S CA -0.872 57.367 58.200 0.065 0.000 1.109 141 S CB 0.306 63.530 63.200 0.040 0.000 1.338 141 S HN 0.354 nan 8.310 nan 0.000 0.743 142 L N 2.088 123.378 121.223 0.111 0.000 2.375 142 L HA 0.450 4.793 4.340 0.004 0.000 0.276 142 L C -0.565 176.404 176.870 0.166 0.000 1.162 142 L CA 0.166 55.039 54.840 0.055 0.000 0.991 142 L CB -0.349 41.667 42.059 -0.070 0.000 1.315 142 L HN 0.549 nan 8.230 nan 0.000 0.431 143 D N 3.262 123.764 120.400 0.170 0.000 2.398 143 D HA 0.277 4.920 4.640 0.004 0.000 0.210 143 D C 0.983 177.339 176.300 0.092 0.000 1.094 143 D CA 0.830 54.906 54.000 0.126 0.000 0.839 143 D CB 0.562 41.380 40.800 0.031 0.000 0.963 143 D HN 0.630 nan 8.370 nan 0.000 0.506 144 G N 0.531 109.434 108.800 0.171 0.000 2.787 144 G HA2 -0.267 3.695 3.960 0.004 0.000 0.685 144 G HA3 -0.267 3.695 3.960 0.004 0.000 0.685 144 G C 1.000 175.880 174.900 -0.034 0.000 1.437 144 G CA -0.412 44.705 45.100 0.028 0.000 0.872 144 G HN 0.040 nan 8.290 nan 0.000 0.566 145 V N 1.224 121.076 119.914 -0.103 0.000 2.282 145 V HA -0.226 3.896 4.120 0.004 0.000 0.249 145 V C 2.952 179.006 176.094 -0.067 0.000 1.057 145 V CA 3.151 65.397 62.300 -0.091 0.000 1.032 145 V CB -0.618 31.140 31.823 -0.108 0.000 0.645 145 V HN 0.899 nan 8.190 nan 0.000 0.447 146 K N -0.525 119.839 120.400 -0.060 0.000 2.007 146 K HA -0.145 4.177 4.320 0.004 0.000 0.206 146 K C 2.144 178.707 176.600 -0.061 0.000 1.047 146 K CA 1.435 57.689 56.287 -0.054 0.000 0.937 146 K CB -0.230 32.245 32.500 -0.043 0.000 0.718 146 K HN 0.299 nan 8.250 nan 0.000 0.438 147 L N 1.072 122.260 121.223 -0.059 0.000 2.093 147 L HA -0.001 4.341 4.340 0.004 0.000 0.208 147 L C 2.138 178.922 176.870 -0.142 0.000 1.085 147 L CA 1.875 56.657 54.840 -0.096 0.000 0.755 147 L CB -0.590 41.426 42.059 -0.072 0.000 0.904 147 L HN 0.259 nan 8.230 nan 0.000 0.435 148 A N -1.700 121.066 122.820 -0.091 0.000 1.933 148 A HA -0.177 4.146 4.320 0.004 0.000 0.218 148 A C 2.242 179.773 177.584 -0.087 0.000 1.175 148 A CA 2.182 54.171 52.037 -0.079 0.000 0.628 148 A CB -1.045 17.946 19.000 -0.015 0.000 0.814 148 A HN 0.488 nan 8.150 nan 0.000 0.444 149 T N -0.142 114.362 114.554 -0.084 0.000 2.857 149 T HA -0.087 4.266 4.350 0.004 0.000 0.266 149 T C 1.744 176.382 174.700 -0.103 0.000 1.048 149 T CA 1.486 63.533 62.100 -0.087 0.000 1.139 149 T CB -0.197 68.625 68.868 -0.077 0.000 0.874 149 T HN 0.648 nan 8.240 nan 0.000 0.455 150 E N 1.060 121.195 120.200 -0.110 0.000 2.051 150 E HA -0.098 4.255 4.350 0.004 0.000 0.192 150 E C 2.556 179.065 176.600 -0.151 0.000 0.991 150 E CA 0.868 57.202 56.400 -0.110 0.000 0.799 150 E CB -0.091 29.551 29.700 -0.096 0.000 0.748 150 E HN 0.383 nan 8.360 nan 0.000 0.449 151 R N 0.358 120.703 120.500 -0.259 0.000 2.115 151 R HA -0.060 4.282 4.340 0.004 0.000 0.230 151 R C 2.326 178.512 176.300 -0.191 0.000 1.111 151 R CA 1.005 56.855 56.100 -0.416 0.000 0.976 151 R CB -0.227 29.548 30.300 -0.874 0.000 0.870 151 R HN 0.103 nan 8.270 nan 0.000 0.445 152 A N 0.689 123.467 122.820 -0.069 0.000 1.930 152 A HA -0.073 4.249 4.320 0.004 0.000 0.217 152 A C 2.335 179.876 177.584 -0.072 0.000 1.175 152 A CA 1.038 53.091 52.037 0.027 0.000 0.627 152 A CB -0.388 18.579 19.000 -0.056 0.000 0.815 152 A HN 0.093 nan 8.150 nan 0.000 0.443 153 V N -0.027 119.824 119.914 -0.106 0.000 2.295 153 V HA -0.230 3.892 4.120 0.004 0.000 0.246 153 V C 2.774 178.853 176.094 -0.025 0.000 1.049 153 V CA 2.506 64.747 62.300 -0.099 0.000 1.024 153 V CB -1.191 30.581 31.823 -0.085 0.000 0.648 153 V HN 0.625 nan 8.190 nan 0.000 0.447 154 T N 0.487 115.036 114.554 -0.009 0.000 2.720 154 T HA -0.199 4.153 4.350 0.004 0.000 0.268 154 T C 2.044 176.818 174.700 0.124 0.000 1.037 154 T CA 1.667 63.791 62.100 0.039 0.000 1.144 154 T CB -0.473 68.403 68.868 0.014 0.000 0.864 154 T HN 0.574 nan 8.240 nan 0.000 0.444 155 A N 1.457 124.383 122.820 0.177 0.000 1.902 155 A HA 0.180 4.503 4.320 0.004 0.000 0.217 155 A C 2.667 180.507 177.584 0.426 0.000 1.181 155 A CA 1.782 54.024 52.037 0.342 0.000 0.623 155 A CB -1.104 18.079 19.000 0.305 0.000 0.818 155 A HN 0.514 nan 8.150 nan 0.000 0.443 156 A N -0.159 122.846 122.820 0.308 0.000 1.902 156 A HA -0.184 4.139 4.320 0.004 0.000 0.217 156 A C 1.887 179.585 177.584 0.191 0.000 1.181 156 A CA 1.691 53.913 52.037 0.308 0.000 0.623 156 A CB -0.538 18.475 19.000 0.022 0.000 0.818 156 A HN 0.635 nan 8.150 nan 0.000 0.443 157 E N -0.302 119.971 120.200 0.121 0.000 2.153 157 E HA -0.095 4.257 4.350 0.004 0.000 0.194 157 E C 1.350 178.002 176.600 0.087 0.000 0.988 157 E CA 0.839 57.289 56.400 0.083 0.000 0.811 157 E CB -0.222 29.513 29.700 0.058 0.000 0.746 157 E HN 0.617 nan 8.360 nan 0.000 0.466 158 L N -0.459 120.843 121.223 0.132 0.000 2.627 158 L HA 0.121 4.463 4.340 0.004 0.000 0.233 158 L C 1.357 178.197 176.870 -0.050 0.000 1.144 158 L CA 0.367 55.256 54.840 0.082 0.000 0.892 158 L CB -0.013 42.165 42.059 0.198 0.000 1.039 158 L HN 0.329 nan 8.230 nan 0.000 0.442 159 G N -0.655 108.150 108.800 0.010 0.000 2.195 159 G HA2 -0.294 3.669 3.960 0.004 0.000 0.246 159 G HA3 -0.294 3.669 3.960 0.004 0.000 0.246 159 G C 0.182 175.032 174.900 -0.083 0.000 0.984 159 G CA -0.490 44.575 45.100 -0.059 0.000 0.633 159 G HN 0.165 nan 8.290 nan 0.000 0.525 160 F N 0.694 120.717 119.950 0.122 0.000 2.518 160 F HA 0.509 5.039 4.527 0.004 0.000 0.359 160 F C 1.848 177.660 175.800 0.020 0.000 1.118 160 F CA 0.077 58.126 58.000 0.083 0.000 1.287 160 F CB 0.692 39.727 39.000 0.059 0.000 1.132 160 F HN -0.064 nan 8.300 nan 0.000 0.587 161 R N 1.459 121.979 120.500 0.034 0.000 2.393 161 R HA 0.562 4.904 4.340 0.004 0.000 0.244 161 R C -0.545 175.122 176.300 -1.055 0.000 0.920 161 R CA -0.064 55.818 56.100 -0.364 0.000 1.076 161 R CB 0.365 30.638 30.300 -0.045 0.000 1.119 161 R HN 0.584 nan 8.270 nan 0.000 0.524 162 A N 0.286 122.558 122.820 -0.913 0.000 2.594 162 A HA 0.540 4.862 4.320 0.004 0.000 0.296 162 A C -1.081 176.238 177.584 -0.442 0.000 1.061 162 A CA -0.758 50.754 52.037 -0.875 0.000 0.689 162 A CB 1.382 19.861 19.000 -0.868 0.000 1.280 162 A HN 0.001 nan 8.150 nan 0.000 0.406 163 V N -1.098 118.649 119.914 -0.279 0.000 2.914 163 V HA 0.840 4.962 4.120 0.004 0.000 0.314 163 V C -0.491 175.368 176.094 -0.392 0.000 1.084 163 V CA -0.958 61.178 62.300 -0.273 0.000 0.963 163 V CB 1.751 33.511 31.823 -0.106 0.000 1.025 163 V HN 1.031 nan 8.190 nan 0.000 0.432 164 K N 1.510 121.688 120.400 -0.370 0.000 2.235 164 K HA 0.657 4.979 4.320 0.004 0.000 0.266 164 K C -0.542 175.941 176.600 -0.194 0.000 0.980 164 K CA -0.186 55.891 56.287 -0.350 0.000 0.849 164 K CB 1.742 34.094 32.500 -0.245 0.000 1.098 164 K HN 1.064 nan 8.250 nan 0.000 0.445 165 T N 2.642 117.107 114.554 -0.148 0.000 2.918 165 T HA 0.398 4.750 4.350 0.004 0.000 0.286 165 T C -1.000 173.654 174.700 -0.077 0.000 1.026 165 T CA -0.754 61.311 62.100 -0.058 0.000 1.031 165 T CB 0.780 69.631 68.868 -0.028 0.000 1.046 165 T HN 0.530 nan 8.240 nan 0.000 0.479 166 K N 3.443 123.814 120.400 -0.048 0.000 2.156 166 K HA 0.633 4.956 4.320 0.004 0.000 0.271 166 K C -0.037 176.463 176.600 -0.167 0.000 0.995 166 K CA -0.590 55.639 56.287 -0.096 0.000 0.890 166 K CB 1.198 33.667 32.500 -0.052 0.000 1.073 166 K HN 0.613 nan 8.250 nan 0.000 0.454 167 I N -3.199 117.196 120.570 -0.291 0.000 3.580 167 I HA 0.728 4.900 4.170 0.004 0.000 0.296 167 I C 0.270 176.204 176.117 -0.305 0.000 1.146 167 I CA -1.159 59.936 61.300 -0.341 0.000 1.051 167 I CB 1.834 39.642 38.000 -0.320 0.000 1.364 167 I HN 0.662 nan 8.210 nan 0.000 0.482 168 G N 0.425 109.209 108.800 -0.026 0.000 2.327 168 G HA2 -0.137 3.825 3.960 0.004 0.000 0.159 168 G HA3 -0.137 3.825 3.960 0.004 0.000 0.159 168 G C -0.748 174.145 174.900 -0.011 0.000 1.056 168 G CA -0.592 44.635 45.100 0.212 0.000 0.751 168 G HN 0.573 nan 8.290 nan 0.000 0.488 169 Y N -0.556 119.809 120.300 0.108 0.000 2.281 169 Y HA 0.400 4.952 4.550 0.004 0.000 0.337 169 Y C -0.268 175.665 175.900 0.054 0.000 1.304 169 Y CA -1.205 56.930 58.100 0.057 0.000 1.465 169 Y CB 0.429 38.909 38.460 0.033 0.000 1.350 169 Y HN 0.026 nan 8.280 nan 0.000 0.575 170 P HA -0.115 nan 4.420 nan 0.000 0.216 170 P C -0.771 176.587 177.300 0.096 0.000 1.150 170 P CA 1.807 64.973 63.100 0.111 0.000 0.837 170 P CB 0.248 31.999 31.700 0.086 0.000 0.786 171 A N -1.487 121.400 122.820 0.111 0.000 2.355 171 A HA 0.379 4.701 4.320 0.004 0.000 0.324 171 A C 0.690 178.335 177.584 0.103 0.000 1.117 171 A CA -0.522 51.562 52.037 0.078 0.000 0.785 171 A CB 0.620 19.646 19.000 0.043 0.000 1.254 171 A HN 0.026 nan 8.150 nan 0.000 0.453 172 L N 0.890 122.163 121.223 0.082 0.000 2.131 172 L HA -0.123 4.219 4.340 0.004 0.000 0.210 172 L C 1.469 178.381 176.870 0.070 0.000 1.092 172 L CA 2.420 57.317 54.840 0.095 0.000 0.759 172 L CB -0.613 41.486 42.059 0.067 0.000 0.903 172 L HN 0.784 nan 8.230 nan 0.000 0.435 173 D N -0.783 119.639 120.400 0.036 0.000 2.182 173 D HA -0.236 4.406 4.640 0.004 0.000 0.201 173 D C 2.012 178.299 176.300 -0.021 0.000 0.986 173 D CA 1.483 55.487 54.000 0.007 0.000 0.847 173 D CB 0.064 40.861 40.800 -0.006 0.000 0.942 173 D HN 0.566 nan 8.370 nan 0.000 0.467 174 Q N 0.433 120.214 119.800 -0.033 0.000 2.083 174 Q HA -0.114 4.229 4.340 0.004 0.000 0.198 174 Q C 1.742 177.663 176.000 -0.133 0.000 0.969 174 Q CA 0.950 56.655 55.803 -0.164 0.000 0.838 174 Q CB 0.124 28.718 28.738 -0.239 0.000 0.900 174 Q HN 0.174 nan 8.270 nan 0.000 0.436 175 D N 0.589 121.045 120.400 0.094 0.000 2.116 175 D HA -0.173 4.469 4.640 0.004 0.000 0.193 175 D C 1.809 178.142 176.300 0.054 0.000 0.998 175 D CA 1.135 55.237 54.000 0.170 0.000 0.836 175 D CB -0.168 40.755 40.800 0.206 0.000 0.951 175 D HN 0.222 nan 8.370 nan 0.000 0.449 176 L N 0.407 121.650 121.223 0.032 0.000 2.141 176 L HA -0.066 4.276 4.340 0.004 0.000 0.209 176 L C 2.502 179.359 176.870 -0.021 0.000 1.094 176 L CA 0.866 55.712 54.840 0.010 0.000 0.763 176 L CB -0.374 41.693 42.059 0.012 0.000 0.908 176 L HN -0.031 nan 8.230 nan 0.000 0.437 177 A N -0.186 122.604 122.820 -0.050 0.000 1.902 177 A HA -0.139 4.183 4.320 0.004 0.000 0.217 177 A C 2.353 179.892 177.584 -0.075 0.000 1.181 177 A CA 1.718 53.712 52.037 -0.071 0.000 0.623 177 A CB -0.742 18.193 19.000 -0.108 0.000 0.818 177 A HN 0.176 nan 8.150 nan 0.000 0.443 178 V N -0.545 119.319 119.914 -0.083 0.000 2.270 178 V HA -0.219 3.904 4.120 0.004 0.000 0.245 178 V C 2.580 178.653 176.094 -0.035 0.000 1.043 178 V CA 1.975 64.240 62.300 -0.058 0.000 1.014 178 V CB -0.762 31.056 31.823 -0.009 0.000 0.645 178 V HN 0.362 nan 8.190 nan 0.000 0.447 179 V N -0.107 119.792 119.914 -0.024 0.000 2.295 179 V HA -0.276 3.847 4.120 0.004 0.000 0.246 179 V C 2.602 178.679 176.094 -0.030 0.000 1.049 179 V CA 2.164 64.447 62.300 -0.027 0.000 1.024 179 V CB -0.775 31.035 31.823 -0.021 0.000 0.648 179 V HN 0.476 nan 8.190 nan 0.000 0.447 180 R N -0.349 120.133 120.500 -0.029 0.000 2.081 180 R HA -0.150 4.193 4.340 0.004 0.000 0.235 180 R C 2.649 178.926 176.300 -0.038 0.000 1.131 180 R CA 1.647 57.730 56.100 -0.029 0.000 0.960 180 R CB -0.551 29.733 30.300 -0.027 0.000 0.856 180 R HN 0.467 nan 8.270 nan 0.000 0.436 181 S N 0.550 116.222 115.700 -0.046 0.000 2.383 181 S HA -0.039 4.434 4.470 0.004 0.000 0.227 181 S C 1.910 176.473 174.600 -0.063 0.000 1.026 181 S CA 0.775 58.942 58.200 -0.054 0.000 0.981 181 S CB -0.049 63.115 63.200 -0.059 0.000 0.818 181 S HN 0.184 nan 8.310 nan 0.000 0.472 182 I N 1.027 121.560 120.570 -0.061 0.000 2.142 182 I HA -0.146 4.026 4.170 0.004 0.000 0.240 182 I C 2.744 178.808 176.117 -0.088 0.000 1.078 182 I CA 1.435 62.689 61.300 -0.078 0.000 1.343 182 I CB -0.373 37.594 38.000 -0.056 0.000 1.046 182 I HN 0.253 nan 8.210 nan 0.000 0.405 183 R N 1.249 121.715 120.500 -0.056 0.000 2.103 183 R HA -0.253 4.089 4.340 0.004 0.000 0.242 183 R C 2.219 178.487 176.300 -0.053 0.000 1.142 183 R CA 1.842 57.916 56.100 -0.042 0.000 0.960 183 R CB -0.647 29.642 30.300 -0.019 0.000 0.858 183 R HN 0.415 nan 8.270 nan 0.000 0.439 184 Q N -1.041 118.727 119.800 -0.053 0.000 2.119 184 Q HA -0.094 4.248 4.340 0.004 0.000 0.201 184 Q C 1.766 177.726 176.000 -0.067 0.000 0.972 184 Q CA 1.662 57.435 55.803 -0.050 0.000 0.847 184 Q CB -0.131 28.581 28.738 -0.044 0.000 0.903 184 Q HN 0.480 nan 8.270 nan 0.000 0.433 185 A N -0.022 122.743 122.820 -0.092 0.000 1.898 185 A HA -0.072 4.250 4.320 0.004 0.000 0.214 185 A C 1.923 179.412 177.584 -0.159 0.000 1.183 185 A CA 1.381 53.349 52.037 -0.114 0.000 0.622 185 A CB -0.313 18.610 19.000 -0.128 0.000 0.824 185 A HN 0.390 nan 8.150 nan 0.000 0.444 186 V N -3.797 115.981 119.914 -0.226 0.000 3.650 186 V HA 0.542 4.664 4.120 0.004 0.000 0.271 186 V C 1.051 177.042 176.094 -0.172 0.000 1.281 186 V CA 0.237 62.324 62.300 -0.356 0.000 1.120 186 V CB -1.230 30.080 31.823 -0.854 0.000 0.856 186 V HN 1.673 nan 8.190 nan 0.000 0.443 187 G N 0.728 109.481 108.800 -0.078 0.000 2.758 187 G HA2 -0.192 3.770 3.960 0.004 0.000 0.686 187 G HA3 -0.192 3.770 3.960 0.004 0.000 0.686 187 G C -0.175 174.750 174.900 0.043 0.000 1.389 187 G CA 0.041 45.137 45.100 -0.007 0.000 0.845 187 G HN 0.276 nan 8.290 nan 0.000 0.572 188 D N -0.403 120.025 120.400 0.045 0.000 2.350 188 D HA -0.059 4.584 4.640 0.004 0.000 0.216 188 D C 1.504 177.854 176.300 0.084 0.000 0.968 188 D CA 1.087 55.121 54.000 0.056 0.000 0.894 188 D CB 0.225 41.048 40.800 0.038 0.000 0.909 188 D HN 0.428 nan 8.370 nan 0.000 0.520 189 D N -0.595 119.872 120.400 0.112 0.000 2.348 189 D HA -0.051 4.592 4.640 0.004 0.000 0.211 189 D C 0.090 176.492 176.300 0.169 0.000 0.998 189 D CA -0.224 53.849 54.000 0.121 0.000 0.873 189 D CB 0.121 40.989 40.800 0.112 0.000 0.925 189 D HN 0.021 nan 8.370 nan 0.000 0.524 190 F N 0.465 120.422 119.950 0.012 0.000 2.389 190 F HA 0.470 5.000 4.527 0.004 0.000 0.337 190 F C 1.081 176.859 175.800 -0.036 0.000 1.112 190 F CA -0.446 57.556 58.000 0.004 0.000 1.192 190 F CB 1.198 40.195 39.000 -0.004 0.000 1.185 190 F HN -0.156 nan 8.300 nan 0.000 0.552 191 G N 5.845 114.481 108.800 -0.273 0.000 2.390 191 G HA2 0.471 4.434 3.960 0.004 0.000 0.270 191 G HA3 0.471 4.434 3.960 0.004 0.000 0.270 191 G C -0.987 173.759 174.900 -0.256 0.000 1.211 191 G CA -0.517 44.420 45.100 -0.271 0.000 0.842 191 G HN 0.655 nan 8.290 nan 0.000 0.519 192 I N 2.608 123.039 120.570 -0.231 0.000 2.448 192 I HA 0.210 4.382 4.170 0.004 0.000 0.281 192 I C -0.450 175.423 176.117 -0.406 0.000 1.027 192 I CA -0.541 60.621 61.300 -0.229 0.000 1.111 192 I CB 1.776 39.721 38.000 -0.092 0.000 1.236 192 I HN 0.257 nan 8.210 nan 0.000 0.452 193 M N 6.713 125.921 119.600 -0.653 0.000 2.342 193 M HA 0.504 4.987 4.480 0.004 0.000 0.332 193 M C -0.256 175.756 176.300 -0.480 0.000 1.166 193 M CA -0.557 54.216 55.300 -0.879 0.000 1.086 193 M CB 1.641 33.250 32.600 -1.651 0.000 1.541 193 M HN 0.384 nan 8.290 nan 0.000 0.462 194 V N -1.403 118.336 119.914 -0.292 0.000 2.789 194 V HA 0.809 4.931 4.120 0.004 0.000 0.311 194 V C -1.575 174.468 176.094 -0.086 0.000 1.073 194 V CA -0.685 61.502 62.300 -0.188 0.000 0.921 194 V CB 2.115 33.817 31.823 -0.201 0.000 1.009 194 V HN 0.776 nan 8.190 nan 0.000 0.426 195 D N 1.836 122.159 120.400 -0.128 0.000 2.593 195 D HA 0.428 5.071 4.640 0.004 0.000 0.251 195 D C -0.525 175.698 176.300 -0.129 0.000 1.140 195 D CA -0.366 53.616 54.000 -0.030 0.000 0.855 195 D CB 1.940 42.765 40.800 0.042 0.000 1.267 195 D HN 0.589 nan 8.370 nan 0.000 0.532 196 Y N 2.522 122.839 120.300 0.029 0.000 2.500 196 Y HA 0.145 4.698 4.550 0.004 0.000 0.270 196 Y C 0.823 176.719 175.900 -0.006 0.000 1.134 196 Y CA 0.053 58.154 58.100 0.001 0.000 1.293 196 Y CB -0.261 38.200 38.460 0.003 0.000 1.063 196 Y HN 0.504 nan 8.280 nan 0.000 0.534 197 N N 1.369 120.151 118.700 0.136 0.000 2.727 197 N HA -0.319 4.423 4.740 0.004 0.000 0.249 197 N C -0.296 175.256 175.510 0.071 0.000 1.048 197 N CA 0.964 54.063 53.050 0.082 0.000 0.714 197 N CB -1.064 37.460 38.487 0.061 0.000 0.959 197 N HN 0.423 nan 8.380 nan 0.000 0.544 198 Q N -3.597 116.251 119.800 0.080 0.000 2.489 198 Q HA -0.273 4.069 4.340 0.004 0.000 0.259 198 Q C 0.795 176.800 176.000 0.009 0.000 0.934 198 Q CA 1.086 56.911 55.803 0.037 0.000 1.131 198 Q CB -2.067 26.681 28.738 0.016 0.000 1.472 198 Q HN 0.760 nan 8.270 nan 0.000 0.560 199 S N -1.220 114.497 115.700 0.029 0.000 2.593 199 S HA 0.284 4.756 4.470 0.004 0.000 0.217 199 S C 0.638 175.201 174.600 -0.062 0.000 0.966 199 S CA -0.208 57.994 58.200 0.003 0.000 0.914 199 S CB 0.338 63.568 63.200 0.051 0.000 0.776 199 S HN 0.341 nan 8.310 nan 0.000 0.523 200 L N 1.974 123.116 121.223 -0.135 0.000 2.319 200 L HA 0.587 4.929 4.340 0.004 0.000 0.267 200 L C -0.474 176.303 176.870 -0.156 0.000 1.011 200 L CA -1.237 53.490 54.840 -0.188 0.000 0.818 200 L CB 1.408 43.256 42.059 -0.351 0.000 1.316 200 L HN 0.175 nan 8.230 nan 0.000 0.432 201 D N -0.170 120.151 120.400 -0.132 0.000 2.423 201 D HA 0.226 4.868 4.640 0.004 0.000 0.255 201 D C 0.829 177.045 176.300 -0.140 0.000 1.174 201 D CA -0.734 53.196 54.000 -0.118 0.000 1.008 201 D CB 0.982 41.733 40.800 -0.082 0.000 1.101 201 D HN 0.115 nan 8.370 nan 0.000 0.516 202 V N 0.578 120.415 119.914 -0.128 0.000 2.255 202 V HA -0.140 3.982 4.120 0.004 0.000 0.247 202 V C -0.889 175.144 176.094 -0.102 0.000 1.051 202 V CA 1.899 64.122 62.300 -0.128 0.000 1.018 202 V CB -1.462 30.298 31.823 -0.105 0.000 0.641 202 V HN 0.617 nan 8.190 nan 0.000 0.445 203 P HA -0.154 nan 4.420 nan 0.000 0.215 203 P C 1.689 178.945 177.300 -0.074 0.000 1.153 203 P CA 2.057 65.119 63.100 -0.064 0.000 0.853 203 P CB -0.173 31.497 31.700 -0.049 0.000 0.788 204 A N -0.187 122.578 122.820 -0.092 0.000 1.933 204 A HA -0.098 4.225 4.320 0.004 0.000 0.218 204 A C 2.298 179.791 177.584 -0.151 0.000 1.175 204 A CA 2.043 54.016 52.037 -0.107 0.000 0.628 204 A CB -1.562 17.367 19.000 -0.118 0.000 0.814 204 A HN 0.195 nan 8.150 nan 0.000 0.444 205 A N -0.154 122.554 122.820 -0.186 0.000 1.930 205 A HA -0.009 4.314 4.320 0.004 0.000 0.217 205 A C 2.095 179.604 177.584 -0.125 0.000 1.175 205 A CA 1.345 53.245 52.037 -0.227 0.000 0.627 205 A CB -0.546 18.315 19.000 -0.233 0.000 0.815 205 A HN 0.480 nan 8.150 nan 0.000 0.443 206 I N -0.394 120.124 120.570 -0.088 0.000 2.179 206 I HA -0.280 3.892 4.170 0.004 0.000 0.242 206 I C 2.571 178.670 176.117 -0.030 0.000 1.088 206 I CA 1.923 63.195 61.300 -0.047 0.000 1.357 206 I CB -0.210 37.766 38.000 -0.040 0.000 1.051 206 I HN 0.393 nan 8.210 nan 0.000 0.409 207 K N 1.087 121.464 120.400 -0.038 0.000 2.002 207 K HA -0.164 4.158 4.320 0.004 0.000 0.209 207 K C 2.362 178.960 176.600 -0.004 0.000 1.048 207 K CA 1.349 57.624 56.287 -0.020 0.000 0.930 207 K CB -0.021 32.464 32.500 -0.025 0.000 0.714 207 K HN 0.188 nan 8.250 nan 0.000 0.438 208 R N 0.079 120.567 120.500 -0.019 0.000 2.092 208 R HA -0.022 4.320 4.340 0.004 0.000 0.231 208 R C 2.478 178.829 176.300 0.086 0.000 1.119 208 R CA 1.420 57.541 56.100 0.034 0.000 0.970 208 R CB -0.173 30.128 30.300 0.002 0.000 0.864 208 R HN 0.171 nan 8.270 nan 0.000 0.440 209 S N 1.214 116.950 115.700 0.061 0.000 2.368 209 S HA -0.141 4.331 4.470 0.004 0.000 0.224 209 S C 1.865 176.507 174.600 0.070 0.000 1.029 209 S CA 1.086 59.346 58.200 0.099 0.000 0.988 209 S CB -0.067 63.177 63.200 0.074 0.000 0.838 209 S HN 0.368 nan 8.310 nan 0.000 0.462 210 Q N 0.697 120.522 119.800 0.042 0.000 2.170 210 Q HA -0.018 4.324 4.340 0.004 0.000 0.203 210 Q C 2.471 178.494 176.000 0.039 0.000 0.976 210 Q CA 1.259 57.084 55.803 0.035 0.000 0.858 210 Q CB -0.333 28.418 28.738 0.022 0.000 0.907 210 Q HN 0.600 nan 8.270 nan 0.000 0.433 211 A N 0.794 123.640 122.820 0.042 0.000 1.898 211 A HA -0.141 4.181 4.320 0.004 0.000 0.216 211 A C 2.030 179.643 177.584 0.049 0.000 1.181 211 A CA 1.024 53.086 52.037 0.042 0.000 0.620 211 A CB -0.565 18.462 19.000 0.046 0.000 0.819 211 A HN 0.278 nan 8.150 nan 0.000 0.442 212 L N -0.635 120.629 121.223 0.068 0.000 2.141 212 L HA -0.212 4.130 4.340 0.004 0.000 0.209 212 L C 2.835 179.733 176.870 0.048 0.000 1.094 212 L CA 1.599 56.476 54.840 0.062 0.000 0.763 212 L CB -0.393 41.720 42.059 0.089 0.000 0.908 212 L HN 0.645 nan 8.230 nan 0.000 0.437 213 Q N -0.156 119.676 119.800 0.053 0.000 2.124 213 Q HA -0.276 4.067 4.340 0.004 0.000 0.202 213 Q C 2.072 178.094 176.000 0.036 0.000 0.977 213 Q CA 1.493 57.324 55.803 0.047 0.000 0.850 213 Q CB 0.067 28.835 28.738 0.049 0.000 0.901 213 Q HN 0.360 nan 8.270 nan 0.000 0.429 214 Q N 0.163 119.983 119.800 0.032 0.000 2.364 214 Q HA -0.074 4.268 4.340 0.004 0.000 0.207 214 Q C 1.313 177.326 176.000 0.022 0.000 0.970 214 Q CA 0.890 56.708 55.803 0.025 0.000 0.888 214 Q CB 0.247 28.998 28.738 0.023 0.000 0.951 214 Q HN 0.402 nan 8.270 nan 0.000 0.469 215 E N -1.187 119.026 120.200 0.021 0.000 2.385 215 E HA 0.114 4.467 4.350 0.004 0.000 0.194 215 E C 0.634 177.242 176.600 0.013 0.000 1.013 215 E CA 0.761 57.169 56.400 0.014 0.000 0.866 215 E CB 0.313 30.019 29.700 0.010 0.000 0.832 215 E HN 0.328 nan 8.360 nan 0.000 0.500 216 G N 1.591 110.402 108.800 0.018 0.000 2.164 216 G HA2 -0.238 3.724 3.960 0.004 0.000 0.212 216 G HA3 -0.238 3.724 3.960 0.004 0.000 0.212 216 G C 0.442 175.344 174.900 0.004 0.000 1.031 216 G CA 0.246 45.356 45.100 0.017 0.000 0.730 216 G HN 0.222 nan 8.290 nan 0.000 0.501 217 V N -2.309 117.603 119.914 -0.004 0.000 3.003 217 V HA 0.724 4.846 4.120 0.004 0.000 0.305 217 V C 1.537 177.609 176.094 -0.035 0.000 1.078 217 V CA 0.939 63.213 62.300 -0.042 0.000 1.083 217 V CB 0.947 32.742 31.823 -0.046 0.000 1.039 217 V HN 0.277 nan 8.190 nan 0.000 0.481 218 T N 2.231 116.711 114.554 -0.124 0.000 2.737 218 T HA 0.076 4.428 4.350 0.004 0.000 0.265 218 T C 0.206 174.955 174.700 0.081 0.000 1.038 218 T CA 2.261 64.302 62.100 -0.098 0.000 1.144 218 T CB -0.276 68.369 68.868 -0.371 0.000 0.866 218 T HN 1.062 nan 8.240 nan 0.000 0.434 219 W N -0.690 120.558 121.300 -0.086 0.000 3.066 219 W HA 0.689 5.353 4.660 0.006 0.000 0.330 219 W C -2.499 173.986 176.519 -0.057 0.000 1.253 219 W CA -2.019 55.295 57.345 -0.052 0.000 1.187 219 W CB 0.307 29.728 29.460 -0.065 0.000 1.434 219 W HN -0.206 nan 8.180 nan 0.000 0.572 220 I N 2.275 123.064 120.570 0.364 0.000 2.410 220 I HA 0.241 4.413 4.170 0.004 0.000 0.286 220 I C -0.366 175.886 176.117 0.225 0.000 1.009 220 I CA -0.826 60.639 61.300 0.275 0.000 1.111 220 I CB 1.743 39.871 38.000 0.213 0.000 1.262 220 I HN 0.584 nan 8.210 nan 0.000 0.443 221 E N 6.472 126.817 120.200 0.240 0.000 2.191 221 E HA 0.213 4.565 4.350 0.004 0.000 0.278 221 E C -0.485 176.187 176.600 0.119 0.000 0.972 221 E CA -0.454 56.001 56.400 0.091 0.000 0.804 221 E CB 0.910 30.695 29.700 0.141 0.000 1.110 221 E HN 0.484 nan 8.360 nan 0.000 0.394 222 E N 3.627 123.868 120.200 0.068 0.000 2.023 222 E HA -0.188 4.164 4.350 0.004 0.000 0.164 222 E C -1.777 174.954 176.600 0.219 0.000 1.456 222 E CA -0.003 56.498 56.400 0.168 0.000 0.617 222 E CB -0.321 29.403 29.700 0.040 0.000 1.042 222 E HN 0.527 nan 8.360 nan 0.000 0.301 223 P HA -0.155 nan 4.420 nan 0.000 0.220 223 P C 0.738 177.971 177.300 -0.113 0.000 1.148 223 P CA 1.263 64.383 63.100 0.034 0.000 0.803 223 P CB 0.481 32.165 31.700 -0.027 0.000 0.782 224 T N -1.792 112.660 114.554 -0.170 0.000 2.669 224 T HA 0.430 4.782 4.350 0.004 0.000 0.283 224 T C -0.843 173.823 174.700 -0.056 0.000 1.019 224 T CA -0.917 61.063 62.100 -0.199 0.000 1.039 224 T CB 0.287 68.947 68.868 -0.347 0.000 1.374 224 T HN -0.223 nan 8.240 nan 0.000 0.523 225 L N 2.976 124.135 121.223 -0.106 0.000 2.640 225 L HA 0.026 4.368 4.340 0.004 0.000 0.280 225 L C 2.004 178.817 176.870 -0.095 0.000 1.229 225 L CA -0.003 54.758 54.840 -0.132 0.000 0.919 225 L CB 0.576 42.477 42.059 -0.265 0.000 1.168 225 L HN 0.811 nan 8.230 nan 0.000 0.496 226 Q N 2.851 122.620 119.800 -0.051 0.000 2.124 226 Q HA -0.233 4.109 4.340 0.004 0.000 0.202 226 Q C 1.797 177.783 176.000 -0.025 0.000 0.977 226 Q CA 2.153 57.948 55.803 -0.013 0.000 0.850 226 Q CB -0.455 28.258 28.738 -0.040 0.000 0.901 226 Q HN 0.776 nan 8.270 nan 0.000 0.429 227 H N -1.212 117.846 119.070 -0.019 0.000 2.546 227 H HA 0.031 4.589 4.556 0.003 0.000 0.277 227 H C -0.284 174.801 175.328 -0.404 0.000 1.004 227 H CA 0.918 56.827 56.048 -0.232 0.000 1.231 227 H CB -0.026 29.626 29.762 -0.184 0.000 1.382 227 H HN 0.299 nan 8.280 nan 0.000 0.580 228 D N 0.772 120.852 120.400 -0.533 0.000 2.517 228 D HA -0.014 4.628 4.640 0.004 0.000 0.220 228 D C 0.306 176.681 176.300 0.125 0.000 1.158 228 D CA -0.530 53.331 54.000 -0.232 0.000 0.992 228 D CB -0.221 40.436 40.800 -0.239 0.000 1.058 228 D HN 0.112 nan 8.370 nan 0.000 0.516 229 Y N 1.087 121.444 120.300 0.096 0.000 2.200 229 Y HA -0.068 4.482 4.550 -0.000 0.000 0.290 229 Y C 2.247 178.196 175.900 0.081 0.000 1.137 229 Y CA 0.468 58.625 58.100 0.094 0.000 1.163 229 Y CB -0.413 38.069 38.460 0.036 0.000 0.988 229 Y HN 0.363 nan 8.280 nan 0.000 0.518 230 E N 0.103 120.411 120.200 0.180 0.000 2.058 230 E HA -0.160 4.192 4.350 0.004 0.000 0.194 230 E C 2.540 179.177 176.600 0.062 0.000 0.997 230 E CA 1.265 57.721 56.400 0.093 0.000 0.801 230 E CB -0.627 29.103 29.700 0.050 0.000 0.746 230 E HN 0.512 nan 8.360 nan 0.000 0.450 231 G N 0.253 109.072 108.800 0.032 0.000 2.422 231 G HA2 -0.247 3.715 3.960 0.004 0.000 0.218 231 G HA3 -0.247 3.715 3.960 0.004 0.000 0.218 231 G C 1.527 176.383 174.900 -0.073 0.000 1.146 231 G CA 0.765 45.837 45.100 -0.047 0.000 0.769 231 G HN 0.354 nan 8.290 nan 0.000 0.547 232 H N -0.324 118.752 119.070 0.010 0.000 2.389 232 H HA -0.054 4.503 4.556 0.002 0.000 0.299 232 H C 2.653 177.988 175.328 0.011 0.000 1.081 232 H CA 1.449 57.504 56.048 0.012 0.000 1.345 232 H CB 0.022 29.806 29.762 0.038 0.000 1.393 232 H HN 0.340 nan 8.280 nan 0.000 0.520 233 Q N 1.801 121.680 119.800 0.131 0.000 2.124 233 Q HA -0.142 4.200 4.340 0.004 0.000 0.202 233 Q C 2.181 178.201 176.000 0.034 0.000 0.977 233 Q CA 1.159 57.002 55.803 0.067 0.000 0.850 233 Q CB -0.074 28.695 28.738 0.053 0.000 0.901 233 Q HN 0.469 nan 8.270 nan 0.000 0.429 234 R N -0.346 120.164 120.500 0.017 0.000 2.075 234 R HA -0.047 4.295 4.340 0.004 0.000 0.232 234 R C 2.518 178.810 176.300 -0.013 0.000 1.126 234 R CA 1.351 57.448 56.100 -0.004 0.000 0.963 234 R CB -0.273 30.016 30.300 -0.019 0.000 0.858 234 R HN 0.303 nan 8.270 nan 0.000 0.435 235 I N 0.503 121.056 120.570 -0.029 0.000 2.202 235 I HA -0.267 3.905 4.170 0.004 0.000 0.242 235 I C 2.655 178.774 176.117 0.004 0.000 1.091 235 I CA 1.115 62.396 61.300 -0.032 0.000 1.368 235 I CB -0.261 37.696 38.000 -0.072 0.000 1.058 235 I HN 0.084 nan 8.210 nan 0.000 0.410 236 Q N 1.353 121.169 119.800 0.027 0.000 2.135 236 Q HA -0.232 4.111 4.340 0.004 0.000 0.204 236 Q C 2.259 178.275 176.000 0.026 0.000 0.981 236 Q CA 2.512 58.337 55.803 0.037 0.000 0.856 236 Q CB -0.420 28.345 28.738 0.045 0.000 0.902 236 Q HN 0.578 nan 8.270 nan 0.000 0.425 237 S N -0.889 114.823 115.700 0.019 0.000 2.440 237 S HA -0.101 4.371 4.470 0.004 0.000 0.238 237 S C 1.256 175.864 174.600 0.013 0.000 1.010 237 S CA 0.910 59.119 58.200 0.015 0.000 0.972 237 S CB -0.133 63.073 63.200 0.011 0.000 0.774 237 S HN 0.236 nan 8.310 nan 0.000 0.501 238 K N 0.834 121.241 120.400 0.011 0.000 2.387 238 K HA 0.446 4.768 4.320 0.004 0.000 0.198 238 K C -0.036 176.575 176.600 0.018 0.000 1.022 238 K CA 0.024 56.318 56.287 0.010 0.000 1.128 238 K CB -0.042 32.459 32.500 0.003 0.000 0.853 238 K HN 0.463 nan 8.250 nan 0.000 0.523 239 L N 0.394 121.632 121.223 0.025 0.000 2.341 239 L HA 0.356 4.699 4.340 0.004 0.000 0.267 239 L C 0.883 177.776 176.870 0.037 0.000 1.009 239 L CA -0.726 54.135 54.840 0.034 0.000 0.819 239 L CB 1.667 43.752 42.059 0.044 0.000 1.323 239 L HN -0.170 nan 8.230 nan 0.000 0.425 240 N N 0.210 118.934 118.700 0.041 0.000 2.368 240 N HA -0.004 4.738 4.740 0.004 0.000 0.178 240 N C 0.401 175.945 175.510 0.056 0.000 1.021 240 N CA 0.463 53.539 53.050 0.043 0.000 0.875 240 N CB 0.470 38.981 38.487 0.040 0.000 1.020 240 N HN 0.286 nan 8.380 nan 0.000 0.433 241 V N 4.386 124.339 119.914 0.065 0.000 2.872 241 V HA 0.104 4.227 4.120 0.004 0.000 0.307 241 V C -2.114 174.037 176.094 0.095 0.000 1.072 241 V CA -1.285 61.067 62.300 0.086 0.000 1.148 241 V CB 0.926 32.803 31.823 0.089 0.000 0.954 241 V HN 0.123 nan 8.190 nan 0.000 0.490 242 P HA 0.197 nan 4.420 nan 0.000 0.280 242 P C -0.743 176.615 177.300 0.096 0.000 1.244 242 P CA -0.049 63.112 63.100 0.102 0.000 0.784 242 P CB 1.103 32.876 31.700 0.122 0.000 0.913 243 V N 3.850 123.795 119.914 0.052 0.000 2.498 243 V HA 0.195 4.318 4.120 0.004 0.000 0.279 243 V C 0.542 176.587 176.094 -0.083 0.000 1.048 243 V CA 0.165 62.485 62.300 0.034 0.000 0.967 243 V CB 0.831 32.698 31.823 0.073 0.000 0.988 243 V HN 0.571 nan 8.190 nan 0.000 0.473 244 Q N 5.844 125.523 119.800 -0.203 0.000 2.337 244 Q HA 0.848 5.190 4.340 0.004 0.000 0.266 244 Q C -0.767 174.997 176.000 -0.393 0.000 1.023 244 Q CA -0.537 54.988 55.803 -0.465 0.000 0.829 244 Q CB 1.805 29.871 28.738 -1.120 0.000 1.306 244 Q HN 0.824 nan 8.270 nan 0.000 0.449 245 M N 0.762 120.084 119.600 -0.463 0.000 3.084 245 M HA 0.815 5.297 4.480 0.004 0.000 0.273 245 M C -0.351 175.397 176.300 -0.920 0.000 1.242 245 M CA -0.045 54.907 55.300 -0.579 0.000 0.819 245 M CB 1.197 33.444 32.600 -0.588 0.000 1.625 245 M HN 0.781 nan 8.290 nan 0.000 0.493 246 G N 0.142 108.156 108.800 -1.310 0.000 2.551 246 G HA2 -0.194 3.769 3.960 0.004 0.000 0.186 246 G HA3 -0.194 3.769 3.960 0.004 0.000 0.186 246 G C 0.483 174.824 174.900 -0.931 0.000 1.002 246 G CA 0.441 44.320 45.100 -2.034 0.000 0.723 246 G HN 1.062 nan 8.290 nan 0.000 0.481 247 E N 0.456 120.289 120.200 -0.612 0.000 2.333 247 E HA -0.040 4.312 4.350 0.004 0.000 0.198 247 E C 1.347 177.798 176.600 -0.249 0.000 1.007 247 E CA 1.103 57.243 56.400 -0.434 0.000 0.845 247 E CB -0.151 29.008 29.700 -0.901 0.000 0.766 247 E HN 0.395 nan 8.360 nan 0.000 0.507 248 N N -0.118 118.393 118.700 -0.316 0.000 2.205 248 N HA 0.023 4.765 4.740 0.004 0.000 0.201 248 N C -0.771 174.750 175.510 0.018 0.000 1.128 248 N CA -0.051 52.920 53.050 -0.132 0.000 0.867 248 N CB 0.235 38.639 38.487 -0.138 0.000 0.996 248 N HN 0.183 nan 8.380 nan 0.000 0.503 249 W N 1.541 122.838 121.300 -0.005 0.000 2.303 249 W HA 0.219 4.882 4.660 0.005 0.000 0.318 249 W C 0.322 176.846 176.519 0.008 0.000 1.362 249 W CA -0.466 56.881 57.345 0.004 0.000 1.234 249 W CB -0.097 29.334 29.460 -0.048 0.000 1.248 249 W HN -0.106 nan 8.180 nan 0.000 0.546 250 L N 4.484 125.839 121.223 0.220 0.000 2.287 250 L HA 0.531 4.873 4.340 0.004 0.000 0.280 250 L C 0.837 177.744 176.870 0.061 0.000 1.055 250 L CA 0.042 54.943 54.840 0.100 0.000 0.863 250 L CB 0.002 42.088 42.059 0.046 0.000 1.245 250 L HN 0.641 nan 8.230 nan 0.000 0.432 251 G N 3.821 112.654 108.800 0.055 0.000 2.690 251 G HA2 -0.150 3.813 3.960 0.004 0.000 0.686 251 G HA3 -0.150 3.813 3.960 0.004 0.000 0.686 251 G C -2.516 172.390 174.900 0.009 0.000 1.277 251 G CA -0.911 44.202 45.100 0.021 0.000 0.799 251 G HN 0.395 nan 8.290 nan 0.000 0.613 252 P HA -0.038 nan 4.420 nan 0.000 0.220 252 P C 1.801 179.045 177.300 -0.094 0.000 1.148 252 P CA 1.696 64.750 63.100 -0.076 0.000 0.803 252 P CB 0.086 31.752 31.700 -0.056 0.000 0.782 253 E N 0.864 121.042 120.200 -0.036 0.000 2.204 253 E HA -0.212 4.140 4.350 0.004 0.000 0.195 253 E C 1.474 178.064 176.600 -0.016 0.000 0.990 253 E CA 1.283 57.685 56.400 0.005 0.000 0.821 253 E CB -0.805 28.917 29.700 0.038 0.000 0.750 253 E HN 0.364 nan 8.360 nan 0.000 0.477 254 E N 0.490 120.643 120.200 -0.077 0.000 2.112 254 E HA -0.047 4.306 4.350 0.004 0.000 0.190 254 E C 2.186 178.390 176.600 -0.659 0.000 0.979 254 E CA 0.791 57.117 56.400 -0.122 0.000 0.814 254 E CB -0.178 29.578 29.700 0.095 0.000 0.762 254 E HN 0.251 nan 8.360 nan 0.000 0.460 255 M N 0.526 119.553 119.600 -0.955 0.000 2.106 255 M HA -0.221 4.261 4.480 0.004 0.000 0.259 255 M C 2.090 177.797 176.300 -0.988 0.000 1.068 255 M CA 1.537 55.839 55.300 -1.663 0.000 1.100 255 M CB -0.153 31.786 32.600 -1.101 0.000 1.351 255 M HN 0.102 nan 8.290 nan 0.000 0.404 256 F N 1.108 120.680 119.950 -0.630 0.000 2.134 256 F HA -0.185 4.348 4.527 0.011 0.000 0.299 256 F C 1.987 177.531 175.800 -0.427 0.000 1.097 256 F CA 1.837 59.580 58.000 -0.429 0.000 1.264 256 F CB -0.342 38.539 39.000 -0.198 0.000 1.001 256 F HN 0.107 nan 8.300 nan 0.000 0.479 257 K N -0.066 120.099 120.400 -0.392 0.000 2.057 257 K HA -0.107 4.215 4.320 0.004 0.000 0.207 257 K C 2.325 178.602 176.600 -0.539 0.000 1.049 257 K CA 1.226 57.298 56.287 -0.357 0.000 0.931 257 K CB -0.546 31.946 32.500 -0.014 0.000 0.714 257 K HN 0.323 nan 8.250 nan 0.000 0.440 258 A N 1.450 123.702 122.820 -0.947 0.000 1.873 258 A HA -0.107 4.215 4.320 0.004 0.000 0.215 258 A C 2.125 179.331 177.584 -0.630 0.000 1.186 258 A CA 1.179 52.625 52.037 -0.985 0.000 0.616 258 A CB -0.607 17.743 19.000 -1.083 0.000 0.823 258 A HN 0.137 nan 8.150 nan 0.000 0.442 259 L N -0.501 120.239 121.223 -0.805 0.000 2.093 259 L HA -0.131 4.212 4.340 0.004 0.000 0.208 259 L C 2.746 179.099 176.870 -0.862 0.000 1.085 259 L CA 1.353 55.646 54.840 -0.911 0.000 0.755 259 L CB -0.566 40.631 42.059 -1.437 0.000 0.904 259 L HN 0.300 nan 8.230 nan 0.000 0.435 260 S N 0.678 115.892 115.700 -0.811 0.000 2.419 260 S HA -0.144 4.328 4.470 0.004 0.000 0.235 260 S C 1.635 176.097 174.600 -0.229 0.000 1.019 260 S CA 1.595 59.525 58.200 -0.450 0.000 0.982 260 S CB -0.256 62.608 63.200 -0.559 0.000 0.789 260 S HN 0.551 nan 8.310 nan 0.000 0.490 261 I N -2.291 118.145 120.570 -0.224 0.000 3.976 261 I HA 0.537 4.709 4.170 0.004 0.000 0.337 261 I C 0.939 177.009 176.117 -0.077 0.000 1.359 261 I CA 0.153 61.393 61.300 -0.100 0.000 1.098 261 I CB -0.166 37.810 38.000 -0.040 0.000 1.027 261 I HN 0.111 nan 8.210 nan 0.000 0.394 262 G N 1.478 110.201 108.800 -0.129 0.000 2.225 262 G HA2 -0.228 3.734 3.960 0.004 0.000 0.264 262 G HA3 -0.228 3.734 3.960 0.004 0.000 0.264 262 G C 0.954 175.828 174.900 -0.044 0.000 1.060 262 G CA 0.273 45.326 45.100 -0.078 0.000 0.833 262 G HN 0.846 nan 8.290 nan 0.000 0.498 263 A N -1.420 121.361 122.820 -0.065 0.000 2.067 263 A HA 0.398 4.720 4.320 0.004 0.000 0.219 263 A C 1.673 179.271 177.584 0.023 0.000 1.158 263 A CA 2.039 54.086 52.037 0.016 0.000 0.661 263 A CB -0.424 18.583 19.000 0.011 0.000 0.801 263 A HN 2.196 nan 8.150 nan 0.000 0.452 264 C N -4.977 114.311 119.300 -0.019 0.000 3.285 264 C HA 0.704 5.167 4.460 0.004 0.000 0.325 264 C C 0.750 175.728 174.990 -0.021 0.000 1.304 264 C CA -0.978 58.030 59.018 -0.016 0.000 1.319 264 C CB 1.322 29.032 27.740 -0.050 0.000 1.640 264 C HN 0.334 nan 8.230 nan 0.000 0.477 265 R N -0.008 120.484 120.500 -0.013 0.000 2.312 265 R HA 0.430 4.772 4.340 0.004 0.000 0.205 265 R C -0.357 175.935 176.300 -0.014 0.000 0.904 265 R CA 0.309 56.407 56.100 -0.003 0.000 1.052 265 R CB 0.189 30.501 30.300 0.020 0.000 1.014 265 R HN 0.661 nan 8.270 nan 0.000 0.503 266 L N -0.589 120.603 121.223 -0.051 0.000 2.350 266 L HA 0.676 5.018 4.340 0.004 0.000 0.260 266 L C -0.941 175.863 176.870 -0.110 0.000 1.015 266 L CA -1.110 53.685 54.840 -0.074 0.000 0.821 266 L CB 2.180 44.152 42.059 -0.145 0.000 1.370 266 L HN -0.146 nan 8.230 nan 0.000 0.416 267 A N 2.720 125.497 122.820 -0.071 0.000 2.435 267 A HA 0.893 5.215 4.320 0.004 0.000 0.304 267 A C -0.685 176.838 177.584 -0.101 0.000 1.064 267 A CA -0.537 51.469 52.037 -0.053 0.000 0.727 267 A CB 1.922 21.015 19.000 0.155 0.000 1.284 267 A HN 0.763 nan 8.150 nan 0.000 0.415 268 M N 0.834 120.319 119.600 -0.192 0.000 2.073 268 M HA 0.384 4.866 4.480 0.004 0.000 0.218 268 M C -3.048 173.228 176.300 -0.039 0.000 0.949 268 M CA -1.575 53.692 55.300 -0.055 0.000 0.722 268 M CB 0.899 33.468 32.600 -0.051 0.000 1.762 268 M HN 0.188 nan 8.290 nan 0.000 0.348 269 P HA 0.001 nan 4.420 nan 0.000 0.268 269 P C -0.860 176.627 177.300 0.311 0.000 1.208 269 P CA 0.349 63.507 63.100 0.095 0.000 0.777 269 P CB 0.579 32.246 31.700 -0.055 0.000 0.875 270 D N 1.733 122.332 120.400 0.332 0.000 2.274 270 D HA 0.212 4.854 4.640 0.004 0.000 0.239 270 D C 0.950 177.454 176.300 0.339 0.000 1.104 270 D CA -0.434 53.843 54.000 0.461 0.000 0.840 270 D CB 1.512 42.620 40.800 0.514 0.000 1.100 270 D HN 0.274 nan 8.370 nan 0.000 0.477 271 A N 4.701 127.677 122.820 0.260 0.000 1.978 271 A HA -0.212 4.110 4.320 0.004 0.000 0.220 271 A C 2.071 179.525 177.584 -0.216 0.000 1.170 271 A CA 1.399 53.458 52.037 0.036 0.000 0.636 271 A CB -0.423 18.447 19.000 -0.217 0.000 0.810 271 A HN 0.783 nan 8.150 nan 0.000 0.448 272 M N -0.901 118.410 119.600 -0.481 0.000 2.098 272 M HA -0.087 4.395 4.480 0.004 0.000 0.262 272 M C 1.949 178.231 176.300 -0.031 0.000 1.072 272 M CA 1.888 56.991 55.300 -0.328 0.000 1.133 272 M CB -0.168 32.244 32.600 -0.313 0.000 1.344 272 M HN 0.276 nan 8.290 nan 0.000 0.414 273 K N 0.022 120.481 120.400 0.099 0.000 2.155 273 K HA -0.090 4.233 4.320 0.004 0.000 0.203 273 K C 1.725 178.382 176.600 0.094 0.000 1.052 273 K CA 0.933 57.290 56.287 0.117 0.000 0.948 273 K CB -0.182 32.427 32.500 0.181 0.000 0.728 273 K HN 0.294 nan 8.250 nan 0.000 0.448 274 I N 0.276 120.922 120.570 0.126 0.000 2.916 274 I HA -0.085 4.088 4.170 0.004 0.000 0.267 274 I C 0.907 177.070 176.117 0.076 0.000 1.263 274 I CA 1.017 62.389 61.300 0.119 0.000 1.471 274 I CB -0.015 38.078 38.000 0.156 0.000 1.089 274 I HN 0.411 nan 8.210 nan 0.000 0.468 275 G N -0.846 107.983 108.800 0.048 0.000 2.145 275 G HA2 0.128 4.091 3.960 0.004 0.000 0.145 275 G HA3 0.128 4.091 3.960 0.004 0.000 0.145 275 G C 0.847 175.791 174.900 0.072 0.000 1.017 275 G CA -0.124 45.003 45.100 0.045 0.000 0.682 275 G HN 1.103 nan 8.290 nan 0.000 0.504 276 G N -1.558 107.265 108.800 0.038 0.000 2.553 276 G HA2 -0.054 3.908 3.960 0.004 0.000 0.242 276 G HA3 -0.054 3.908 3.960 0.004 0.000 0.242 276 G C 1.064 175.987 174.900 0.037 0.000 1.277 276 G CA 0.790 45.898 45.100 0.013 0.000 0.910 276 G HN 1.257 nan 8.290 nan 0.000 0.576 277 V N 0.630 120.520 119.914 -0.041 0.000 2.379 277 V HA -0.114 4.009 4.120 0.004 0.000 0.245 277 V C 3.173 179.196 176.094 -0.118 0.000 1.044 277 V CA 3.182 65.332 62.300 -0.249 0.000 1.036 277 V CB -1.172 30.148 31.823 -0.837 0.000 0.664 277 V HN 0.930 nan 8.190 nan 0.000 0.453 278 T N 0.677 115.283 114.554 0.085 0.000 2.665 278 T HA -0.172 4.180 4.350 0.004 0.000 0.268 278 T C 1.893 176.676 174.700 0.138 0.000 1.035 278 T CA 1.799 64.020 62.100 0.201 0.000 1.151 278 T CB -0.687 68.373 68.868 0.320 0.000 0.862 278 T HN 0.623 nan 8.240 nan 0.000 0.438 279 G N -0.083 108.798 108.800 0.135 0.000 2.408 279 G HA2 -0.177 3.785 3.960 0.004 0.000 0.217 279 G HA3 -0.177 3.785 3.960 0.004 0.000 0.217 279 G C 1.418 176.388 174.900 0.116 0.000 1.150 279 G CA 0.282 45.447 45.100 0.109 0.000 0.776 279 G HN 0.521 nan 8.290 nan 0.000 0.542 280 W N 1.191 122.476 121.300 -0.026 0.000 2.388 280 W HA -0.015 4.649 4.660 0.007 0.000 0.294 280 W C 2.146 178.646 176.519 -0.032 0.000 1.212 280 W CA 0.807 58.137 57.345 -0.026 0.000 1.271 280 W CB -0.210 29.215 29.460 -0.060 0.000 1.126 280 W HN 0.214 nan 8.180 nan 0.000 0.535 281 I N 0.557 121.248 120.570 0.201 0.000 2.226 281 I HA -0.338 3.835 4.170 0.004 0.000 0.245 281 I C 2.652 178.791 176.117 0.036 0.000 1.100 281 I CA 1.401 62.768 61.300 0.112 0.000 1.374 281 I CB -0.443 37.584 38.000 0.045 0.000 1.057 281 I HN -0.119 nan 8.210 nan 0.000 0.413 282 R N 0.578 121.092 120.500 0.023 0.000 2.062 282 R HA -0.094 4.248 4.340 0.004 0.000 0.231 282 R C 2.504 178.771 176.300 -0.056 0.000 1.136 282 R CA 1.437 57.531 56.100 -0.010 0.000 0.948 282 R CB -0.580 29.721 30.300 0.001 0.000 0.845 282 R HN 0.329 nan 8.270 nan 0.000 0.430 283 A N 0.674 123.430 122.820 -0.107 0.000 1.917 283 A HA -0.263 4.059 4.320 0.004 0.000 0.219 283 A C 2.204 179.665 177.584 -0.205 0.000 1.182 283 A CA 2.164 54.089 52.037 -0.187 0.000 0.633 283 A CB -0.822 17.998 19.000 -0.300 0.000 0.819 283 A HN 0.379 nan 8.150 nan 0.000 0.448 284 S N -0.409 115.150 115.700 -0.235 0.000 2.368 284 S HA -0.047 4.426 4.470 0.004 0.000 0.225 284 S C 2.146 176.722 174.600 -0.040 0.000 1.030 284 S CA 1.652 59.768 58.200 -0.141 0.000 0.999 284 S CB -0.508 62.670 63.200 -0.037 0.000 0.844 284 S HN 0.903 nan 8.310 nan 0.000 0.459 285 A N 1.344 124.150 122.820 -0.022 0.000 1.930 285 A HA 0.110 4.432 4.320 0.004 0.000 0.217 285 A C 2.237 179.834 177.584 0.022 0.000 1.175 285 A CA 1.370 53.407 52.037 -0.001 0.000 0.627 285 A CB -0.691 18.306 19.000 -0.005 0.000 0.815 285 A HN 0.594 nan 8.150 nan 0.000 0.443 286 L N -0.943 120.304 121.223 0.040 0.000 2.072 286 L HA -0.128 4.215 4.340 0.004 0.000 0.205 286 L C 3.068 180.066 176.870 0.213 0.000 1.079 286 L CA 1.014 55.953 54.840 0.166 0.000 0.752 286 L CB -0.653 41.496 42.059 0.150 0.000 0.906 286 L HN 0.404 nan 8.230 nan 0.000 0.436 287 A N -0.374 122.489 122.820 0.071 0.000 1.972 287 A HA -0.273 4.049 4.320 0.004 0.000 0.219 287 A C 2.289 179.923 177.584 0.083 0.000 1.169 287 A CA 1.831 53.907 52.037 0.066 0.000 0.635 287 A CB -0.532 18.462 19.000 -0.009 0.000 0.810 287 A HN 0.517 nan 8.150 nan 0.000 0.446 288 Q N -1.128 118.702 119.800 0.051 0.000 2.079 288 Q HA -0.205 4.137 4.340 0.004 0.000 0.200 288 Q C 2.067 178.079 176.000 0.020 0.000 0.974 288 Q CA 1.474 57.295 55.803 0.030 0.000 0.840 288 Q CB -0.123 28.624 28.738 0.015 0.000 0.898 288 Q HN 0.613 nan 8.270 nan 0.000 0.430 289 Q N -0.478 119.325 119.800 0.006 0.000 2.123 289 Q HA -0.084 4.259 4.340 0.004 0.000 0.199 289 Q C 1.643 177.559 176.000 -0.140 0.000 0.966 289 Q CA 1.025 56.771 55.803 -0.095 0.000 0.845 289 Q CB -0.098 28.534 28.738 -0.177 0.000 0.907 289 Q HN 0.402 nan 8.270 nan 0.000 0.439 290 F N 0.221 120.157 119.950 -0.023 0.000 2.802 290 F HA 0.158 4.682 4.527 -0.004 0.000 0.300 290 F C 1.302 177.082 175.800 -0.033 0.000 1.168 290 F CA 0.728 58.707 58.000 -0.035 0.000 1.433 290 F CB 0.008 38.974 39.000 -0.057 0.000 1.115 290 F HN 0.189 nan 8.300 nan 0.000 0.582 291 G N 1.405 110.274 108.800 0.115 0.000 2.256 291 G HA2 -0.244 3.718 3.960 0.004 0.000 0.272 291 G HA3 -0.244 3.718 3.960 0.004 0.000 0.272 291 G C -0.204 174.728 174.900 0.053 0.000 1.076 291 G CA -0.316 44.820 45.100 0.059 0.000 0.882 291 G HN 0.140 nan 8.290 nan 0.000 0.497 292 I N 0.558 121.162 120.570 0.057 0.000 2.354 292 I HA 0.292 4.464 4.170 0.004 0.000 0.286 292 I C -2.110 174.013 176.117 0.010 0.000 1.007 292 I CA -3.055 58.262 61.300 0.028 0.000 1.167 292 I CB 1.331 39.347 38.000 0.027 0.000 1.320 292 I HN -0.138 nan 8.210 nan 0.000 0.458 293 P HA 0.135 nan 4.420 nan 0.000 0.263 293 P C -0.400 176.949 177.300 0.081 0.000 1.195 293 P CA 0.132 63.206 63.100 -0.043 0.000 0.762 293 P CB 0.524 32.043 31.700 -0.302 0.000 0.799 294 M N 3.195 122.880 119.600 0.142 0.000 2.181 294 M HA 0.353 4.835 4.480 0.004 0.000 0.323 294 M C -0.650 175.817 176.300 0.278 0.000 1.004 294 M CA 0.026 55.411 55.300 0.142 0.000 0.941 294 M CB 0.966 33.588 32.600 0.036 0.000 1.579 294 M HN 0.216 nan 8.290 nan 0.000 0.427 295 S N 1.356 117.232 115.700 0.293 0.000 2.767 295 S HA 0.744 5.216 4.470 0.004 0.000 0.300 295 S C -0.560 174.299 174.600 0.430 0.000 1.123 295 S CA -0.866 57.579 58.200 0.408 0.000 0.992 295 S CB 1.762 65.236 63.200 0.456 0.000 1.138 295 S HN 0.797 nan 8.310 nan 0.000 0.550 296 S N 0.077 116.067 115.700 0.483 0.000 2.704 296 S HA 0.529 5.001 4.470 0.004 0.000 0.305 296 S C -1.049 173.807 174.600 0.426 0.000 1.107 296 S CA -0.733 57.783 58.200 0.527 0.000 0.993 296 S CB 1.125 64.581 63.200 0.426 0.000 1.110 296 S HN 0.806 nan 8.310 nan 0.000 0.534 297 H N 1.507 120.771 119.070 0.324 0.000 2.800 297 H HA 0.499 5.058 4.556 0.005 0.000 0.322 297 H C -0.049 175.442 175.328 0.272 0.000 0.979 297 H CA -0.423 55.776 56.048 0.252 0.000 1.277 297 H CB 0.237 30.134 29.762 0.225 0.000 1.484 297 H HN 0.838 nan 8.280 nan 0.000 0.512 298 L N 2.656 123.694 121.223 -0.309 0.000 5.766 298 L HA -0.384 3.958 4.340 0.004 0.000 0.272 298 L C 0.050 176.886 176.870 -0.057 0.000 1.146 298 L CA 1.114 55.730 54.840 -0.373 0.000 1.320 298 L CB -0.894 40.733 42.059 -0.720 0.000 2.115 298 L HN 0.870 nan 8.230 nan 0.000 0.874 299 F N -0.484 119.421 119.950 -0.075 0.000 3.004 299 F HA -0.249 4.281 4.527 0.004 0.000 0.264 299 F C 1.830 177.620 175.800 -0.016 0.000 0.979 299 F CA 1.328 59.297 58.000 -0.052 0.000 0.896 299 F CB -1.652 37.260 39.000 -0.146 0.000 0.813 299 F HN 0.576 nan 8.300 nan 0.000 0.804 300 Q N -0.573 119.287 119.800 0.100 0.000 2.234 300 Q HA -0.236 4.107 4.340 0.004 0.000 0.206 300 Q C 1.421 177.490 176.000 0.115 0.000 0.980 300 Q CA 2.070 57.941 55.803 0.113 0.000 0.869 300 Q CB -0.183 28.647 28.738 0.154 0.000 0.912 300 Q HN 0.619 nan 8.270 nan 0.000 0.436 301 E N 1.438 121.724 120.200 0.144 0.000 2.028 301 E HA -0.057 4.295 4.350 0.004 0.000 0.190 301 E C 1.853 178.528 176.600 0.126 0.000 0.984 301 E CA 1.186 57.664 56.400 0.130 0.000 0.800 301 E CB -0.180 29.616 29.700 0.160 0.000 0.758 301 E HN 0.401 nan 8.360 nan 0.000 0.448 302 I N 0.130 120.739 120.570 0.064 0.000 2.617 302 I HA -0.178 3.995 4.170 0.004 0.000 0.256 302 I C 1.455 177.505 176.117 -0.111 0.000 1.167 302 I CA 0.684 61.960 61.300 -0.039 0.000 1.469 302 I CB 0.163 38.084 38.000 -0.131 0.000 1.098 302 I HN -0.006 nan 8.210 nan 0.000 0.436 303 S N 0.921 116.554 115.700 -0.111 0.000 2.402 303 S HA -0.072 4.400 4.470 0.004 0.000 0.229 303 S C 2.132 176.647 174.600 -0.143 0.000 1.021 303 S CA 1.048 59.107 58.200 -0.235 0.000 0.974 303 S CB -0.259 62.891 63.200 -0.082 0.000 0.800 303 S HN 0.630 nan 8.310 nan 0.000 0.484 304 A N 1.475 124.263 122.820 -0.052 0.000 1.972 304 A HA -0.155 4.167 4.320 0.004 0.000 0.219 304 A C 1.832 179.338 177.584 -0.130 0.000 1.169 304 A CA 1.218 53.204 52.037 -0.085 0.000 0.635 304 A CB -0.733 18.189 19.000 -0.130 0.000 0.810 304 A HN 0.570 nan 8.150 nan 0.000 0.446 305 H N -0.541 118.436 119.070 -0.156 0.000 2.363 305 H HA 0.020 4.578 4.556 0.004 0.000 0.301 305 H C 2.041 177.239 175.328 -0.216 0.000 1.074 305 H CA 1.575 57.526 56.048 -0.163 0.000 1.354 305 H CB -0.105 29.558 29.762 -0.165 0.000 1.397 305 H HN 0.404 nan 8.280 nan 0.000 0.516 306 L N 0.458 121.535 121.223 -0.243 0.000 2.109 306 L HA -0.140 4.202 4.340 0.004 0.000 0.207 306 L C 2.541 179.307 176.870 -0.172 0.000 1.086 306 L CA 0.576 55.130 54.840 -0.477 0.000 0.760 306 L CB -0.285 40.988 42.059 -1.309 0.000 0.910 306 L HN 0.155 nan 8.230 nan 0.000 0.437 307 L N -0.362 120.817 121.223 -0.073 0.000 2.141 307 L HA -0.136 4.207 4.340 0.004 0.000 0.209 307 L C 2.752 179.678 176.870 0.093 0.000 1.094 307 L CA 0.902 55.832 54.840 0.150 0.000 0.763 307 L CB -0.619 41.533 42.059 0.154 0.000 0.908 307 L HN 0.217 nan 8.230 nan 0.000 0.437 308 A N -0.144 122.684 122.820 0.014 0.000 2.121 308 A HA 0.014 4.336 4.320 0.004 0.000 0.218 308 A C 2.101 179.699 177.584 0.023 0.000 1.154 308 A CA 1.422 53.461 52.037 0.003 0.000 0.679 308 A CB -0.409 18.565 19.000 -0.043 0.000 0.795 308 A HN 0.368 nan 8.150 nan 0.000 0.458 309 A N -1.012 121.832 122.820 0.040 0.000 2.423 309 A HA 0.417 4.739 4.320 0.004 0.000 0.246 309 A C 0.561 178.211 177.584 0.110 0.000 1.278 309 A CA 0.159 52.227 52.037 0.052 0.000 0.903 309 A CB -0.164 18.850 19.000 0.024 0.000 0.997 309 A HN 0.174 nan 8.150 nan 0.000 0.510 310 T N 1.685 116.332 114.554 0.154 0.000 2.756 310 T HA 0.363 4.715 4.350 0.004 0.000 0.290 310 T C -1.919 172.849 174.700 0.113 0.000 0.985 310 T CA -0.973 61.240 62.100 0.190 0.000 0.955 310 T CB 1.635 70.700 68.868 0.328 0.000 0.930 310 T HN 0.038 nan 8.240 nan 0.000 0.451 311 P HA -0.089 nan 4.420 nan 0.000 0.215 311 P C 1.352 178.681 177.300 0.048 0.000 1.153 311 P CA 1.048 64.177 63.100 0.049 0.000 0.853 311 P CB 0.014 31.735 31.700 0.033 0.000 0.788 312 T N -3.840 110.747 114.554 0.055 0.000 3.273 312 T HA 0.552 4.904 4.350 0.004 0.000 0.254 312 T C 0.631 175.385 174.700 0.089 0.000 1.002 312 T CA -0.547 61.582 62.100 0.048 0.000 0.913 312 T CB -0.929 67.957 68.868 0.030 0.000 1.056 312 T HN 0.075 nan 8.240 nan 0.000 0.576 313 A N 1.030 123.924 122.820 0.122 0.000 2.584 313 A HA 0.185 4.507 4.320 0.004 0.000 0.239 313 A C 0.782 178.484 177.584 0.197 0.000 1.043 313 A CA 0.352 52.497 52.037 0.180 0.000 0.756 313 A CB -0.170 18.921 19.000 0.152 0.000 0.963 313 A HN 0.821 nan 8.150 nan 0.000 0.511 314 H N 0.925 120.077 119.070 0.136 0.000 3.022 314 H HA 0.317 4.875 4.556 0.004 0.000 0.180 314 H C -0.652 174.707 175.328 0.052 0.000 1.111 314 H CA -0.430 55.680 56.048 0.103 0.000 1.304 314 H CB 0.546 30.458 29.762 0.250 0.000 1.290 314 H HN 0.685 nan 8.280 nan 0.000 0.441 315 W N 1.609 123.036 121.300 0.211 0.000 2.761 315 W HA 0.425 5.086 4.660 0.003 0.000 0.340 315 W C -1.110 175.570 176.519 0.268 0.000 1.072 315 W CA -0.719 56.752 57.345 0.210 0.000 1.215 315 W CB 1.644 31.273 29.460 0.280 0.000 1.420 315 W HN 0.159 nan 8.180 nan 0.000 0.519 316 L N 2.462 123.963 121.223 0.462 0.000 2.334 316 L HA 0.407 4.750 4.340 0.004 0.000 0.277 316 L C 0.179 177.103 176.870 0.090 0.000 1.075 316 L CA -0.351 54.664 54.840 0.291 0.000 0.804 316 L CB 1.017 43.211 42.059 0.226 0.000 1.174 316 L HN 0.455 nan 8.230 nan 0.000 0.438 317 E N 5.352 125.498 120.200 -0.091 0.000 2.167 317 E HA 0.176 4.529 4.350 0.004 0.000 0.284 317 E C -0.759 175.612 176.600 -0.381 0.000 1.016 317 E CA -0.696 55.336 56.400 -0.614 0.000 0.817 317 E CB 0.807 30.303 29.700 -0.339 0.000 1.080 317 E HN 0.546 nan 8.360 nan 0.000 0.397 318 R N 5.409 125.605 120.500 -0.506 0.000 2.221 318 R HA 0.381 4.723 4.340 0.004 0.000 0.327 318 R C -1.157 174.911 176.300 -0.387 0.000 1.033 318 R CA -0.321 55.549 56.100 -0.382 0.000 0.887 318 R CB 0.376 30.298 30.300 -0.630 0.000 1.057 318 R HN 0.586 nan 8.270 nan 0.000 0.455 319 L N 4.601 125.661 121.223 -0.273 0.000 2.666 319 L HA 0.180 4.523 4.340 0.004 0.000 0.258 319 L C -1.533 175.201 176.870 -0.226 0.000 0.991 319 L CA -0.557 54.132 54.840 -0.252 0.000 0.916 319 L CB 1.677 43.577 42.059 -0.265 0.000 1.199 319 L HN 0.647 nan 8.230 nan 0.000 0.439 320 D N 4.355 124.646 120.400 -0.183 0.000 2.483 320 D HA 0.193 4.835 4.640 0.004 0.000 0.220 320 D C 1.047 177.227 176.300 -0.199 0.000 1.173 320 D CA 0.004 53.918 54.000 -0.144 0.000 0.964 320 D CB 0.765 41.512 40.800 -0.087 0.000 1.046 320 D HN 0.518 nan 8.370 nan 0.000 0.517 321 L N 1.870 122.924 121.223 -0.282 0.000 2.109 321 L HA 0.002 4.344 4.340 0.004 0.000 0.207 321 L C 1.900 178.574 176.870 -0.327 0.000 1.086 321 L CA 0.896 55.523 54.840 -0.356 0.000 0.760 321 L CB -0.075 41.664 42.059 -0.533 0.000 0.910 321 L HN 0.361 nan 8.230 nan 0.000 0.437 322 A N -0.478 122.133 122.820 -0.349 0.000 2.500 322 A HA 0.318 4.640 4.320 0.004 0.000 0.267 322 A C 1.973 179.441 177.584 -0.194 0.000 1.290 322 A CA 0.438 52.250 52.037 -0.375 0.000 0.928 322 A CB -0.391 18.166 19.000 -0.738 0.000 1.066 322 A HN 0.340 nan 8.150 nan 0.000 0.516 323 G N 0.065 108.784 108.800 -0.134 0.000 2.450 323 G HA2 -0.189 3.774 3.960 0.004 0.000 0.220 323 G HA3 -0.189 3.774 3.960 0.004 0.000 0.220 323 G C 1.595 176.472 174.900 -0.039 0.000 1.130 323 G CA 1.403 46.468 45.100 -0.058 0.000 0.760 323 G HN 0.473 nan 8.290 nan 0.000 0.557 324 S N -0.351 115.303 115.700 -0.076 0.000 2.399 324 S HA -0.088 4.385 4.470 0.004 0.000 0.231 324 S C 2.204 176.837 174.600 0.054 0.000 1.022 324 S CA 1.415 59.598 58.200 -0.027 0.000 0.983 324 S CB -0.028 63.085 63.200 -0.145 0.000 0.803 324 S HN 0.583 nan 8.310 nan 0.000 0.480 325 V N -0.586 119.349 119.914 0.035 0.000 3.427 325 V HA 0.521 4.643 4.120 0.004 0.000 0.305 325 V C 0.071 176.279 176.094 0.189 0.000 1.412 325 V CA -0.607 61.755 62.300 0.103 0.000 1.086 325 V CB -0.864 30.988 31.823 0.048 0.000 0.964 325 V HN 0.447 nan 8.190 nan 0.000 0.439 326 I N -3.345 117.305 120.570 0.133 0.000 2.828 326 I HA 0.706 4.878 4.170 0.004 0.000 0.302 326 I C -0.353 175.812 176.117 0.081 0.000 1.101 326 I CA -0.921 60.465 61.300 0.143 0.000 1.031 326 I CB 1.969 40.026 38.000 0.095 0.000 1.231 326 I HN -0.198 nan 8.210 nan 0.000 0.427 327 E N 4.372 124.611 120.200 0.065 0.000 2.398 327 E HA 0.178 4.530 4.350 0.004 0.000 0.263 327 E C -2.124 174.501 176.600 0.042 0.000 1.046 327 E CA -1.477 54.953 56.400 0.049 0.000 0.908 327 E CB 0.480 30.204 29.700 0.039 0.000 0.963 327 E HN 0.463 nan 8.360 nan 0.000 0.431 328 P HA 0.013 nan 4.420 nan 0.000 0.226 328 P C 0.616 177.936 177.300 0.033 0.000 1.783 328 P CA 0.163 63.293 63.100 0.050 0.000 0.980 328 P CB -0.574 31.161 31.700 0.057 0.000 1.967 329 T N -1.902 112.665 114.554 0.022 0.000 3.023 329 T HA -0.005 4.347 4.350 0.004 0.000 0.266 329 T C 0.786 175.471 174.700 -0.024 0.000 1.093 329 T CA 0.025 62.127 62.100 0.003 0.000 1.129 329 T CB -0.305 68.567 68.868 0.006 0.000 0.899 329 T HN 0.096 nan 8.240 nan 0.000 0.491 330 L N 3.875 125.083 121.223 -0.026 0.000 2.313 330 L HA 0.464 4.806 4.340 0.004 0.000 0.282 330 L C 0.153 176.929 176.870 -0.157 0.000 1.092 330 L CA 0.032 54.802 54.840 -0.115 0.000 0.831 330 L CB 0.739 42.743 42.059 -0.093 0.000 1.159 330 L HN 0.379 nan 8.230 nan 0.000 0.442 331 T N 1.263 115.666 114.554 -0.252 0.000 2.950 331 T HA 0.637 4.990 4.350 0.004 0.000 0.288 331 T C -0.446 173.972 174.700 -0.470 0.000 1.035 331 T CA -0.545 61.441 62.100 -0.190 0.000 1.028 331 T CB 1.060 69.875 68.868 -0.088 0.000 1.109 331 T HN 0.244 nan 8.240 nan 0.000 0.514 332 F N 0.855 120.792 119.950 -0.021 0.000 2.427 332 F HA 0.594 5.123 4.527 0.004 0.000 0.348 332 F C 0.167 175.891 175.800 -0.127 0.000 1.125 332 F CA -0.798 57.160 58.000 -0.069 0.000 0.989 332 F CB 1.956 40.916 39.000 -0.067 0.000 1.165 332 F HN 0.631 nan 8.300 nan 0.000 0.442 333 E N 1.788 121.971 120.200 -0.029 0.000 2.191 333 E HA 0.534 4.886 4.350 0.004 0.000 0.263 333 E C 0.450 177.008 176.600 -0.069 0.000 0.881 333 E CA -0.479 55.891 56.400 -0.050 0.000 0.757 333 E CB 1.511 31.180 29.700 -0.053 0.000 1.147 333 E HN 0.776 nan 8.360 nan 0.000 0.414 334 G N 3.334 112.081 108.800 -0.089 0.000 2.341 334 G HA2 -0.122 3.840 3.960 0.004 0.000 0.292 334 G HA3 -0.122 3.840 3.960 0.004 0.000 0.292 334 G C 0.974 175.817 174.900 -0.095 0.000 1.021 334 G CA 0.820 45.872 45.100 -0.080 0.000 0.905 334 G HN 1.734 nan 8.290 nan 0.000 0.508 335 G N -1.907 106.767 108.800 -0.211 0.000 2.159 335 G HA2 -0.272 3.690 3.960 0.004 0.000 0.256 335 G HA3 -0.272 3.690 3.960 0.004 0.000 0.256 335 G C 0.025 174.965 174.900 0.066 0.000 0.977 335 G CA 0.608 45.602 45.100 -0.177 0.000 0.652 335 G HN 1.244 nan 8.290 nan 0.000 0.531 336 N N 0.104 118.833 118.700 0.049 0.000 2.314 336 N HA 0.683 5.426 4.740 0.004 0.000 0.304 336 N C 0.066 175.580 175.510 0.006 0.000 1.073 336 N CA -0.206 52.887 53.050 0.071 0.000 0.822 336 N CB 1.696 40.175 38.487 -0.013 0.000 1.280 336 N HN 0.507 nan 8.380 nan 0.000 0.489 337 A N 1.291 124.077 122.820 -0.056 0.000 2.363 337 A HA 0.464 4.787 4.320 0.004 0.000 0.270 337 A C -0.380 177.023 177.584 -0.301 0.000 1.121 337 A CA -0.305 51.471 52.037 -0.436 0.000 0.800 337 A CB 0.308 19.109 19.000 -0.331 0.000 1.052 337 A HN 0.447 nan 8.150 nan 0.000 0.493 338 V N 4.548 124.250 119.914 -0.355 0.000 2.407 338 V HA 0.235 4.357 4.120 0.004 0.000 0.291 338 V C 0.031 175.978 176.094 -0.244 0.000 1.018 338 V CA -0.282 61.877 62.300 -0.235 0.000 0.842 338 V CB 1.157 32.870 31.823 -0.183 0.000 0.996 338 V HN 0.779 nan 8.190 nan 0.000 0.426 339 I N 8.420 128.843 120.570 -0.246 0.000 2.683 339 I HA 0.135 4.307 4.170 0.004 0.000 0.286 339 I C -1.419 174.584 176.117 -0.191 0.000 1.175 339 I CA -0.845 60.275 61.300 -0.301 0.000 1.429 339 I CB 0.733 38.465 38.000 -0.447 0.000 1.371 339 I HN 0.482 nan 8.210 nan 0.000 0.569 340 P HA 0.015 nan 4.420 nan 0.000 0.274 340 P C -0.804 176.476 177.300 -0.033 0.000 1.237 340 P CA -0.287 62.778 63.100 -0.058 0.000 0.793 340 P CB 0.760 32.448 31.700 -0.020 0.000 0.977 341 D N 1.936 122.322 120.400 -0.023 0.000 2.741 341 D HA 0.303 4.946 4.640 0.004 0.000 0.233 341 D C -0.687 175.618 176.300 0.008 0.000 1.160 341 D CA -0.036 53.959 54.000 -0.008 0.000 1.003 341 D CB -1.073 39.717 40.800 -0.016 0.000 1.064 341 D HN 0.218 nan 8.370 nan 0.000 0.503 342 L N 1.880 123.120 121.223 0.027 0.000 2.388 342 L HA 0.537 4.879 4.340 0.004 0.000 0.264 342 L C -2.168 174.721 176.870 0.031 0.000 0.998 342 L CA -2.455 52.398 54.840 0.022 0.000 0.817 342 L CB 2.377 44.445 42.059 0.015 0.000 1.338 342 L HN 0.025 nan 8.230 nan 0.000 0.414 343 P HA 0.111 nan 4.420 nan 0.000 0.268 343 P C 0.492 177.779 177.300 -0.022 0.000 1.208 343 P CA 0.686 63.788 63.100 0.003 0.000 0.777 343 P CB 0.556 32.248 31.700 -0.013 0.000 0.875 344 G N 0.840 109.623 108.800 -0.029 0.000 2.574 344 G HA2 -0.308 3.654 3.960 0.004 0.000 0.286 344 G HA3 -0.308 3.654 3.960 0.004 0.000 0.286 344 G C 0.891 175.668 174.900 -0.205 0.000 1.212 344 G CA 0.246 45.293 45.100 -0.089 0.000 0.979 344 G HN 0.382 nan 8.290 nan 0.000 0.557 345 V N 1.222 120.997 119.914 -0.231 0.000 2.992 345 V HA 0.452 4.575 4.120 0.004 0.000 0.250 345 V C 2.302 178.364 176.094 -0.054 0.000 1.090 345 V CA 1.977 64.079 62.300 -0.332 0.000 1.101 345 V CB -0.029 31.663 31.823 -0.217 0.000 0.743 345 V HN 2.734 nan 8.190 nan 0.000 0.468 346 G N 0.794 109.571 108.800 -0.037 0.000 2.130 346 G HA2 -0.204 3.759 3.960 0.004 0.000 0.216 346 G HA3 -0.204 3.759 3.960 0.004 0.000 0.216 346 G C -0.049 174.842 174.900 -0.016 0.000 0.999 346 G CA -0.107 44.996 45.100 0.006 0.000 0.686 346 G HN 0.436 nan 8.290 nan 0.000 0.515 347 I N 0.942 121.478 120.570 -0.058 0.000 2.325 347 I HA 0.511 4.684 4.170 0.004 0.000 0.291 347 I C 0.362 176.379 176.117 -0.167 0.000 1.019 347 I CA -0.511 60.723 61.300 -0.111 0.000 1.302 347 I CB 1.010 38.919 38.000 -0.152 0.000 1.401 347 I HN 0.024 nan 8.210 nan 0.000 0.485 348 I N 5.772 126.246 120.570 -0.160 0.000 2.468 348 I HA 0.237 4.410 4.170 0.004 0.000 0.285 348 I C -0.754 175.323 176.117 -0.066 0.000 1.039 348 I CA -0.458 60.772 61.300 -0.118 0.000 1.074 348 I CB 1.181 39.175 38.000 -0.009 0.000 1.228 348 I HN 0.491 nan 8.210 nan 0.000 0.436 349 W N 5.274 126.567 121.300 -0.012 0.000 2.210 349 W HA 0.259 4.922 4.660 0.004 0.000 0.330 349 W C 0.553 177.064 176.519 -0.015 0.000 1.334 349 W CA -0.729 56.587 57.345 -0.049 0.000 1.227 349 W CB 0.318 29.707 29.460 -0.118 0.000 1.178 349 W HN 0.258 nan 8.180 nan 0.000 0.560 350 R N 2.903 123.557 120.500 0.257 0.000 2.870 350 R HA 0.012 4.354 4.340 0.004 0.000 0.254 350 R C 1.184 177.548 176.300 0.106 0.000 1.392 350 R CA -0.310 55.875 56.100 0.142 0.000 1.322 350 R CB 0.303 30.669 30.300 0.110 0.000 1.205 350 R HN 0.503 nan 8.270 nan 0.000 0.597 351 E N 2.459 122.719 120.200 0.100 0.000 2.130 351 E HA -0.259 4.094 4.350 0.004 0.000 0.196 351 E C 1.388 177.983 176.600 -0.009 0.000 0.998 351 E CA 1.478 57.898 56.400 0.035 0.000 0.806 351 E CB 0.212 29.939 29.700 0.045 0.000 0.738 351 E HN 0.521 nan 8.360 nan 0.000 0.459 352 K N 0.457 120.854 120.400 -0.004 0.000 2.418 352 K HA -0.012 4.310 4.320 0.004 0.000 0.195 352 K C 1.326 177.886 176.600 -0.067 0.000 1.035 352 K CA 0.579 56.844 56.287 -0.036 0.000 1.003 352 K CB 0.240 32.724 32.500 -0.027 0.000 0.793 352 K HN -0.072 nan 8.250 nan 0.000 0.494 353 E N 1.585 121.764 120.200 -0.036 0.000 2.158 353 E HA 0.008 4.361 4.350 0.004 0.000 0.191 353 E C 2.120 178.663 176.600 -0.095 0.000 0.982 353 E CA 0.550 56.918 56.400 -0.053 0.000 0.823 353 E CB -0.223 29.528 29.700 0.085 0.000 0.766 353 E HN 0.377 nan 8.360 nan 0.000 0.468 354 I N 0.987 121.534 120.570 -0.038 0.000 2.163 354 I HA -0.204 3.968 4.170 0.004 0.000 0.243 354 I C 2.457 178.510 176.117 -0.108 0.000 1.085 354 I CA 1.376 62.648 61.300 -0.048 0.000 1.347 354 I CB -0.622 37.294 38.000 -0.140 0.000 1.044 354 I HN 0.123 nan 8.210 nan 0.000 0.408 355 G N 1.092 109.812 108.800 -0.134 0.000 2.475 355 G HA2 -0.262 3.700 3.960 0.004 0.000 0.220 355 G HA3 -0.262 3.700 3.960 0.004 0.000 0.220 355 G C 1.681 176.463 174.900 -0.197 0.000 1.125 355 G CA 0.722 45.740 45.100 -0.136 0.000 0.755 355 G HN 0.385 nan 8.290 nan 0.000 0.565 356 K N -0.839 119.346 120.400 -0.358 0.000 2.283 356 K HA -0.015 4.308 4.320 0.004 0.000 0.202 356 K C 1.271 177.555 176.600 -0.527 0.000 1.048 356 K CA 0.834 56.802 56.287 -0.532 0.000 0.948 356 K CB -0.047 31.912 32.500 -0.901 0.000 0.742 356 K HN 0.492 nan 8.250 nan 0.000 0.458 357 Y N 0.035 120.303 120.300 -0.053 0.000 2.531 357 Y HA 0.208 4.761 4.550 0.004 0.000 0.249 357 Y C 0.217 176.084 175.900 -0.054 0.000 1.168 357 Y CA -1.210 56.859 58.100 -0.052 0.000 1.226 357 Y CB 0.061 38.485 38.460 -0.060 0.000 1.177 357 Y HN -0.083 nan 8.280 nan 0.000 0.527 358 L N 0.559 121.800 121.223 0.031 0.000 2.490 358 L HA 0.195 4.538 4.340 0.004 0.000 0.274 358 L C 0.173 177.048 176.870 0.009 0.000 1.201 358 L CA 0.254 55.094 54.840 0.001 0.000 0.869 358 L CB 0.372 42.408 42.059 -0.039 0.000 1.123 358 L HN -0.099 nan 8.230 nan 0.000 0.484 359 V N 0.000 119.918 119.914 0.006 0.000 2.409 359 V HA 0.000 4.122 4.120 0.004 0.000 0.244 359 V CA 0.000 62.305 62.300 0.008 0.000 1.235 359 V CB 0.000 31.831 31.823 0.013 0.000 1.184 359 V HN 0.000 nan 8.190 nan 0.000 0.556