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 3cjy_1_A DATA FIRST_RESID 4 DATA SEQUENCE AFPALVRQDD ARYAITVGPD LAVGPPGHAY LFGGASXALA LDVAAETVGR DATA SEQUENCE PVVQGSLQFV SFTPLGSVLD LTVEVLQSGR TLAQARVAGT VDGRLVFHSG DATA SEQUENCE ISLGXREGFS ARQWALAPPV PQPDNCPPCT TLPAQDDNAR YLEGIEVREA DATA SEQUENCE GGPEVPSGRT RLWLRRKDGA PLDAASLAXF ADFLPIALGR ATGCSXXGNS DATA SEQUENCE LDNSLRITGA AAPGWCLCDX IIPSSASGFA QGQVTLWDQS GRLLATGAQS DATA SEQUENCE LLLKG 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.265 177.584 -0.532 0.000 1.274 4 A CA 0.000 51.869 52.037 -0.279 0.000 0.836 4 A CB 0.000 18.872 19.000 -0.214 0.000 0.831 5 F N 0.755 120.716 119.950 0.019 0.000 2.691 5 F HA 0.461 4.988 4.527 -0.000 0.000 0.371 5 F C -1.986 173.838 175.800 0.040 0.000 1.159 5 F CA -1.583 56.437 58.000 0.032 0.000 1.174 5 F CB 1.688 40.708 39.000 0.032 0.000 1.419 5 F HN -0.032 nan 8.300 nan 0.000 0.514 6 P HA -0.213 nan 4.420 nan 0.000 0.216 6 P C 1.501 178.875 177.300 0.123 0.000 1.150 6 P CA 1.374 64.537 63.100 0.106 0.000 0.843 6 P CB 0.301 32.040 31.700 0.065 0.000 0.787 7 A N -1.460 121.449 122.820 0.149 0.000 2.206 7 A HA 0.015 4.335 4.320 -0.000 0.000 0.211 7 A C 0.928 178.588 177.584 0.127 0.000 1.158 7 A CA 0.020 52.133 52.037 0.126 0.000 0.761 7 A CB -1.047 18.029 19.000 0.127 0.000 0.801 7 A HN 0.151 nan 8.150 nan 0.000 0.473 8 L N 1.077 122.395 121.223 0.160 0.000 2.360 8 L HA 0.376 4.716 4.340 -0.000 0.000 0.276 8 L C -0.439 176.521 176.870 0.149 0.000 1.121 8 L CA 0.279 55.204 54.840 0.143 0.000 0.845 8 L CB 1.031 43.181 42.059 0.152 0.000 1.143 8 L HN 0.009 nan 8.230 nan 0.000 0.452 9 V N 6.247 126.244 119.914 0.138 0.000 2.459 9 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 9 V C 0.097 176.253 176.094 0.102 0.000 1.029 9 V CA -0.809 61.553 62.300 0.105 0.000 0.874 9 V CB 1.608 33.467 31.823 0.059 0.000 0.985 9 V HN 0.746 nan 8.190 nan 0.000 0.438 10 R N 3.131 123.643 120.500 0.021 0.000 2.265 10 R HA 0.335 4.675 4.340 -0.000 0.000 0.319 10 R C 0.577 176.741 176.300 -0.226 0.000 1.006 10 R CA -0.526 55.422 56.100 -0.254 0.000 0.880 10 R CB 1.109 31.256 30.300 -0.255 0.000 1.077 10 R HN 0.722 nan 8.270 nan 0.000 0.454 11 Q N 1.949 121.582 119.800 -0.279 0.000 2.204 11 Q HA 0.075 4.414 4.340 -0.000 0.000 0.198 11 Q C -0.296 175.595 176.000 -0.181 0.000 0.946 11 Q CA 1.034 56.738 55.803 -0.165 0.000 0.859 11 Q CB 0.250 28.919 28.738 -0.115 0.000 0.946 11 Q HN 0.786 nan 8.270 nan 0.000 0.474 12 D N -1.450 118.780 120.400 -0.282 0.000 2.792 12 D HA 0.141 4.781 4.640 -0.000 0.000 0.335 12 D C -1.374 174.761 176.300 -0.275 0.000 1.353 12 D CA -0.789 53.083 54.000 -0.213 0.000 0.839 12 D CB 0.022 40.750 40.800 -0.120 0.000 1.396 12 D HN -0.255 nan 8.370 nan 0.000 0.479 13 D N -1.402 118.921 120.400 -0.129 0.000 2.400 13 D HA 0.392 5.032 4.640 -0.000 0.000 0.238 13 D C 1.063 177.336 176.300 -0.045 0.000 1.157 13 D CA 2.047 56.018 54.000 -0.048 0.000 0.889 13 D CB 0.833 41.633 40.800 -0.001 0.000 1.199 13 D HN 0.912 nan 8.370 nan 0.000 0.436 14 A N 1.001 123.868 122.820 0.078 0.000 3.250 14 A HA -0.218 4.102 4.320 -0.000 0.000 0.237 14 A C 0.790 178.434 177.584 0.100 0.000 0.676 14 A CA 1.430 53.526 52.037 0.099 0.000 1.294 14 A CB -1.226 17.794 19.000 0.034 0.000 1.250 14 A HN 0.487 nan 8.150 nan 0.000 0.686 15 R N -1.349 119.097 120.500 -0.089 0.000 2.513 15 R HA 0.693 5.033 4.340 -0.000 0.000 0.301 15 R C -1.246 174.921 176.300 -0.221 0.000 0.968 15 R CA -0.140 55.933 56.100 -0.045 0.000 0.872 15 R CB 1.186 31.456 30.300 -0.050 0.000 1.177 15 R HN 0.708 nan 8.270 nan 0.000 0.444 16 Y N -0.266 120.031 120.300 -0.004 0.000 2.576 16 Y HA 0.861 5.411 4.550 -0.000 0.000 0.346 16 Y C 0.204 176.100 175.900 -0.006 0.000 1.018 16 Y CA -1.108 56.992 58.100 -0.001 0.000 1.050 16 Y CB 2.712 41.172 38.460 0.000 0.000 1.280 16 Y HN 0.863 nan 8.280 nan 0.000 0.474 17 A N 1.844 124.764 122.820 0.165 0.000 2.549 17 A HA 0.855 5.175 4.320 -0.000 0.000 0.297 17 A C -1.948 175.684 177.584 0.079 0.000 1.061 17 A CA -0.666 51.425 52.037 0.091 0.000 0.690 17 A CB 1.699 20.731 19.000 0.054 0.000 1.287 17 A HN 0.784 nan 8.150 nan 0.000 0.402 18 I N 0.762 121.366 120.570 0.055 0.000 2.692 18 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 18 I C -0.821 175.327 176.117 0.053 0.000 1.200 18 I CA -0.098 61.233 61.300 0.052 0.000 1.036 18 I CB 2.374 40.386 38.000 0.020 0.000 1.258 18 I HN 0.622 nan 8.210 nan 0.000 0.421 19 T N 6.135 120.725 114.554 0.061 0.000 2.771 19 T HA 0.324 4.674 4.350 -0.000 0.000 0.291 19 T C -0.279 174.465 174.700 0.074 0.000 0.954 19 T CA -0.329 61.807 62.100 0.061 0.000 1.045 19 T CB 1.245 70.146 68.868 0.056 0.000 0.917 19 T HN 0.285 nan 8.240 nan 0.000 0.484 20 V N 4.065 124.026 119.914 0.078 0.000 2.405 20 V HA 0.487 4.607 4.120 -0.000 0.000 0.264 20 V C 1.024 177.169 176.094 0.085 0.000 1.048 20 V CA -0.324 62.031 62.300 0.092 0.000 0.966 20 V CB 0.452 32.338 31.823 0.105 0.000 1.015 20 V HN 1.027 nan 8.190 nan 0.000 0.477 21 G N 5.356 114.211 108.800 0.091 0.000 2.552 21 G HA2 0.525 4.485 3.960 -0.000 0.000 0.324 21 G HA3 0.525 4.485 3.960 -0.000 0.000 0.324 21 G C -1.992 172.956 174.900 0.079 0.000 1.217 21 G CA -1.399 43.748 45.100 0.077 0.000 0.989 21 G HN 0.505 nan 8.290 nan 0.000 0.490 22 P HA -0.061 nan 4.420 nan 0.000 0.219 22 P C 0.905 178.248 177.300 0.072 0.000 1.146 22 P CA 0.987 64.117 63.100 0.050 0.000 0.808 22 P CB 0.278 31.997 31.700 0.032 0.000 0.779 23 D N -1.445 119.010 120.400 0.091 0.000 2.348 23 D HA -0.005 4.635 4.640 -0.000 0.000 0.216 23 D C 1.395 177.831 176.300 0.225 0.000 0.970 23 D CA 0.779 54.852 54.000 0.122 0.000 0.889 23 D CB -0.154 40.705 40.800 0.098 0.000 0.912 23 D HN 0.263 nan 8.370 nan 0.000 0.524 24 L N -0.360 120.986 121.223 0.206 0.000 2.808 24 L HA 0.355 4.695 4.340 -0.000 0.000 0.246 24 L C 0.526 177.495 176.870 0.166 0.000 1.153 24 L CA -0.258 54.727 54.840 0.242 0.000 0.956 24 L CB 0.528 42.723 42.059 0.227 0.000 1.270 24 L HN -0.155 nan 8.230 nan 0.000 0.528 25 A N 0.923 123.810 122.820 0.112 0.000 2.312 25 A HA 0.702 5.022 4.320 -0.000 0.000 0.326 25 A C -0.309 177.230 177.584 -0.075 0.000 1.172 25 A CA -0.379 51.664 52.037 0.010 0.000 0.821 25 A CB 1.396 20.391 19.000 -0.008 0.000 1.166 25 A HN -0.002 nan 8.150 nan 0.000 0.493 26 V N -1.049 118.713 119.914 -0.254 0.000 3.141 26 V HA 1.062 5.182 4.120 -0.000 0.000 0.312 26 V C 0.074 175.782 176.094 -0.645 0.000 1.157 26 V CA -0.197 61.899 62.300 -0.341 0.000 1.041 26 V CB 1.256 32.907 31.823 -0.286 0.000 1.071 26 V HN 2.486 nan 8.190 nan 0.000 0.441 27 G N 0.684 109.258 108.800 -0.376 0.000 2.321 27 G HA2 0.403 4.363 3.960 -0.000 0.000 0.339 27 G HA3 0.403 4.363 3.960 -0.000 0.000 0.339 27 G C -3.584 171.286 174.900 -0.050 0.000 1.518 27 G CA -0.157 44.801 45.100 -0.237 0.000 0.994 27 G HN 0.835 nan 8.290 nan 0.000 0.668 28 P HA 0.391 nan 4.420 nan 0.000 0.274 28 P C -2.700 174.676 177.300 0.127 0.000 1.246 28 P CA -1.451 61.674 63.100 0.042 0.000 0.795 28 P CB -0.103 31.602 31.700 0.008 0.000 1.006 29 P HA 0.007 nan 4.420 nan 0.000 0.260 29 P C 1.034 178.414 177.300 0.134 0.000 1.172 29 P CA 1.764 64.911 63.100 0.078 0.000 0.760 29 P CB -0.466 31.261 31.700 0.045 0.000 0.773 30 G N 1.841 110.654 108.800 0.021 0.000 2.195 30 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.224 30 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.224 30 G C -0.242 174.375 174.900 -0.472 0.000 0.990 30 G CA -0.314 44.678 45.100 -0.181 0.000 0.639 30 G HN 0.673 nan 8.290 nan 0.000 0.514 31 H N -0.070 118.996 119.070 -0.006 0.000 2.717 31 H HA 0.797 5.352 4.556 -0.000 0.000 0.366 31 H C -0.026 175.288 175.328 -0.022 0.000 1.132 31 H CA 0.067 56.128 56.048 0.022 0.000 1.180 31 H CB 2.154 31.963 29.762 0.077 0.000 1.678 31 H HN 0.912 nan 8.280 nan 0.000 0.537 32 A N 2.583 125.462 122.820 0.098 0.000 2.497 32 A HA 0.587 4.907 4.320 -0.000 0.000 0.280 32 A C -1.775 175.836 177.584 0.046 0.000 1.065 32 A CA -0.804 51.204 52.037 -0.050 0.000 0.781 32 A CB 0.321 19.307 19.000 -0.023 0.000 1.289 32 A HN 0.658 nan 8.150 nan 0.000 0.415 33 Y N 0.269 120.615 120.300 0.077 0.000 2.615 33 Y HA 0.754 5.304 4.550 0.001 0.000 0.341 33 Y C -0.637 175.352 175.900 0.148 0.000 1.089 33 Y CA -1.895 56.279 58.100 0.124 0.000 1.049 33 Y CB 0.868 39.440 38.460 0.186 0.000 1.296 33 Y HN 0.565 nan 8.280 nan 0.000 0.470 34 L N 3.257 124.669 121.223 0.315 0.000 2.584 34 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 34 L C -0.147 176.885 176.870 0.271 0.000 1.195 34 L CA 0.116 55.098 54.840 0.236 0.000 0.920 34 L CB -0.540 41.649 42.059 0.217 0.000 1.173 34 L HN 0.642 nan 8.230 nan 0.000 0.489 35 F N 5.041 124.976 119.950 -0.025 0.000 2.608 35 F HA 0.242 4.769 4.527 0.001 0.000 0.380 35 F C 1.458 177.215 175.800 -0.072 0.000 1.083 35 F CA 0.288 58.218 58.000 -0.117 0.000 1.266 35 F CB 0.754 39.544 39.000 -0.350 0.000 1.076 35 F HN 0.677 nan 8.300 nan 0.000 0.574 36 G N 4.363 112.931 108.800 -0.386 0.000 2.446 36 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 36 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 36 G C 1.651 176.267 174.900 -0.474 0.000 1.168 36 G CA 0.655 45.510 45.100 -0.408 0.000 0.771 36 G HN 0.993 nan 8.290 nan 0.000 0.551 37 G N 0.906 108.969 108.800 -1.227 0.000 2.432 37 G HA2 0.057 4.017 3.960 -0.000 0.000 0.219 37 G HA3 0.057 4.017 3.960 -0.000 0.000 0.219 37 G C 1.982 176.590 174.900 -0.485 0.000 1.135 37 G CA 1.475 46.051 45.100 -0.873 0.000 0.767 37 G HN 0.676 nan 8.290 nan 0.000 0.550 38 A N 0.351 122.889 122.820 -0.471 0.000 1.929 38 A HA 0.272 4.592 4.320 -0.000 0.000 0.216 38 A C 2.028 179.524 177.584 -0.147 0.000 1.176 38 A CA 1.155 53.156 52.037 -0.059 0.000 0.628 38 A CB -0.357 18.708 19.000 0.109 0.000 0.816 38 A HN 0.320 nan 8.150 nan 0.000 0.444 42 L N 0.724 121.796 121.223 -0.251 0.000 2.056 42 L HA -0.044 4.295 4.340 -0.000 0.000 0.207 42 L C 2.983 179.717 176.870 -0.227 0.000 1.078 42 L CA 1.529 56.126 54.840 -0.406 0.000 0.749 42 L CB -0.342 41.428 42.059 -0.481 0.000 0.901 42 L HN 0.551 nan 8.230 nan 0.000 0.433 43 A N 0.034 122.739 122.820 -0.192 0.000 1.902 43 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 43 A C 2.219 179.730 177.584 -0.122 0.000 1.181 43 A CA 1.393 53.355 52.037 -0.124 0.000 0.623 43 A CB -0.672 18.222 19.000 -0.177 0.000 0.818 43 A HN 0.362 nan 8.150 nan 0.000 0.443 44 L N -0.754 120.398 121.223 -0.117 0.000 2.093 44 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 44 L C 1.949 178.778 176.870 -0.067 0.000 1.085 44 L CA 1.239 56.030 54.840 -0.081 0.000 0.755 44 L CB -0.598 41.423 42.059 -0.063 0.000 0.904 44 L HN 0.256 nan 8.230 nan 0.000 0.435 45 D N -0.206 120.157 120.400 -0.061 0.000 2.149 45 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 45 D C 2.287 178.494 176.300 -0.154 0.000 0.972 45 D CA 1.508 55.483 54.000 -0.042 0.000 0.835 45 D CB -0.032 40.818 40.800 0.083 0.000 0.966 45 D HN 0.279 nan 8.370 nan 0.000 0.476 46 V N -0.895 118.837 119.914 -0.303 0.000 2.548 46 V HA -0.018 4.102 4.120 -0.000 0.000 0.249 46 V C 2.242 178.176 176.094 -0.267 0.000 1.055 46 V CA 1.501 63.444 62.300 -0.596 0.000 1.065 46 V CB -0.921 30.353 31.823 -0.916 0.000 0.681 46 V HN 0.090 nan 8.190 nan 0.000 0.462 47 A N 0.995 123.731 122.820 -0.141 0.000 1.873 47 A HA 0.096 4.416 4.320 -0.000 0.000 0.215 47 A C 2.509 180.078 177.584 -0.026 0.000 1.186 47 A CA 2.380 54.385 52.037 -0.053 0.000 0.616 47 A CB -1.174 17.799 19.000 -0.044 0.000 0.823 47 A HN 0.943 nan 8.150 nan 0.000 0.442 48 A N -0.943 121.857 122.820 -0.033 0.000 1.933 48 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 48 A C 2.057 179.650 177.584 0.015 0.000 1.175 48 A CA 1.682 53.715 52.037 -0.008 0.000 0.628 48 A CB -0.407 18.588 19.000 -0.008 0.000 0.814 48 A HN 0.505 nan 8.150 nan 0.000 0.444 49 E N -0.592 119.616 120.200 0.014 0.000 2.107 49 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 49 E C 1.965 178.638 176.600 0.121 0.000 0.982 49 E CA 1.562 58.005 56.400 0.073 0.000 0.809 49 E CB -0.138 29.617 29.700 0.092 0.000 0.756 49 E HN 0.569 nan 8.360 nan 0.000 0.459 50 T N 0.268 114.899 114.554 0.128 0.000 2.812 50 T HA -0.048 4.302 4.350 -0.000 0.000 0.264 50 T C 1.960 176.706 174.700 0.077 0.000 1.042 50 T CA 0.910 63.095 62.100 0.143 0.000 1.140 50 T CB 0.048 69.012 68.868 0.161 0.000 0.870 50 T HN -0.020 nan 8.240 nan 0.000 0.445 51 V N 0.254 120.198 119.914 0.051 0.000 2.649 51 V HA 0.242 4.362 4.120 -0.000 0.000 0.248 51 V C 1.997 178.109 176.094 0.030 0.000 1.054 51 V CA 1.170 63.490 62.300 0.033 0.000 1.073 51 V CB -0.718 31.117 31.823 0.020 0.000 0.699 51 V HN 0.695 nan 8.190 nan 0.000 0.463 52 G N 0.866 109.685 108.800 0.032 0.000 2.132 52 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.228 52 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.228 52 G C 0.051 174.964 174.900 0.021 0.000 1.000 52 G CA 0.199 45.317 45.100 0.029 0.000 0.693 52 G HN 0.542 nan 8.290 nan 0.000 0.515 53 R N -0.242 120.268 120.500 0.016 0.000 2.740 53 R HA 0.596 4.936 4.340 -0.000 0.000 0.273 53 R C -2.792 173.511 176.300 0.004 0.000 0.998 53 R CA -1.906 54.200 56.100 0.010 0.000 0.900 53 R CB 2.304 32.609 30.300 0.008 0.000 1.223 53 R HN 0.086 nan 8.270 nan 0.000 0.466 54 P HA 0.087 nan 4.420 nan 0.000 0.274 54 P C -0.394 176.899 177.300 -0.013 0.000 1.231 54 P CA -0.417 62.681 63.100 -0.004 0.000 0.790 54 P CB 0.646 32.345 31.700 -0.003 0.000 0.951 55 V N 2.818 122.721 119.914 -0.018 0.000 2.637 55 V HA -0.017 4.103 4.120 -0.000 0.000 0.296 55 V C 1.664 177.740 176.094 -0.030 0.000 1.046 55 V CA 0.247 62.531 62.300 -0.027 0.000 1.066 55 V CB 1.145 32.948 31.823 -0.033 0.000 0.968 55 V HN 0.361 nan 8.190 nan 0.000 0.483 56 V N 3.271 123.164 119.914 -0.035 0.000 2.581 56 V HA 0.122 4.242 4.120 -0.000 0.000 0.240 56 V C 0.256 176.324 176.094 -0.045 0.000 1.054 56 V CA 1.071 63.347 62.300 -0.040 0.000 1.076 56 V CB 0.288 32.085 31.823 -0.044 0.000 0.748 56 V HN 1.072 nan 8.190 nan 0.000 0.474 57 Q N -0.923 118.848 119.800 -0.048 0.000 2.578 57 Q HA 0.670 5.010 4.340 -0.000 0.000 0.284 57 Q C -0.761 175.202 176.000 -0.062 0.000 0.960 57 Q CA -0.096 55.674 55.803 -0.055 0.000 0.809 57 Q CB 1.573 30.278 28.738 -0.055 0.000 1.462 57 Q HN 0.204 nan 8.270 nan 0.000 0.392 58 G N 0.167 108.922 108.800 -0.076 0.000 2.718 58 G HA2 0.665 4.624 3.960 -0.000 0.000 0.295 58 G HA3 0.665 4.624 3.960 -0.000 0.000 0.295 58 G C -1.427 173.402 174.900 -0.118 0.000 1.421 58 G CA -0.791 44.253 45.100 -0.093 0.000 0.902 58 G HN 0.559 nan 8.290 nan 0.000 0.501 59 S N -0.302 115.318 115.700 -0.134 0.000 2.521 59 S HA 0.738 5.208 4.470 -0.000 0.000 0.295 59 S C -0.930 173.523 174.600 -0.246 0.000 1.098 59 S CA -0.563 57.533 58.200 -0.173 0.000 0.999 59 S CB 1.702 64.820 63.200 -0.137 0.000 1.034 59 S HN 0.751 nan 8.310 nan 0.000 0.483 60 L N 2.682 123.690 121.223 -0.359 0.000 2.436 60 L HA 0.549 4.889 4.340 -0.000 0.000 0.268 60 L C -1.460 175.005 176.870 -0.673 0.000 0.974 60 L CA -0.510 54.013 54.840 -0.529 0.000 0.826 60 L CB 1.636 43.298 42.059 -0.662 0.000 1.291 60 L HN 0.478 nan 8.230 nan 0.000 0.406 61 Q N 4.412 123.795 119.800 -0.695 0.000 2.307 61 Q HA 0.389 4.729 4.340 -0.000 0.000 0.262 61 Q C -1.314 174.399 176.000 -0.479 0.000 0.961 61 Q CA -0.299 55.160 55.803 -0.573 0.000 0.882 61 Q CB 1.857 30.262 28.738 -0.554 0.000 1.264 61 Q HN 0.430 nan 8.270 nan 0.000 0.446 62 F N 1.203 121.074 119.950 -0.131 0.000 2.424 62 F HA 0.150 4.677 4.527 0.000 0.000 0.356 62 F C 1.324 177.075 175.800 -0.082 0.000 1.110 62 F CA -0.427 57.515 58.000 -0.097 0.000 1.161 62 F CB 0.772 39.661 39.000 -0.185 0.000 1.115 62 F HN 0.268 nan 8.300 nan 0.000 0.507 63 V N 0.947 120.944 119.914 0.137 0.000 2.788 63 V HA 0.078 4.198 4.120 -0.000 0.000 0.241 63 V C 0.630 176.738 176.094 0.023 0.000 1.083 63 V CA 1.100 63.446 62.300 0.078 0.000 1.103 63 V CB 0.130 32.010 31.823 0.096 0.000 0.800 63 V HN 0.776 nan 8.190 nan 0.000 0.476 64 S N -1.687 114.017 115.700 0.007 0.000 2.819 64 S HA 0.666 5.136 4.470 -0.000 0.000 0.299 64 S C -1.197 173.324 174.600 -0.131 0.000 1.192 64 S CA -0.625 57.549 58.200 -0.044 0.000 0.847 64 S CB 1.583 64.813 63.200 0.049 0.000 1.224 64 S HN -0.017 nan 8.310 nan 0.000 0.537 65 F N 1.134 121.085 119.950 0.003 0.000 2.397 65 F HA 0.557 5.084 4.527 0.000 0.000 0.331 65 F C 0.711 176.542 175.800 0.052 0.000 1.090 65 F CA -0.220 57.765 58.000 -0.024 0.000 1.065 65 F CB 1.850 40.778 39.000 -0.120 0.000 1.184 65 F HN 0.515 nan 8.300 nan 0.000 0.499 66 T N 4.621 119.370 114.554 0.326 0.000 2.947 66 T HA 0.311 4.661 4.350 -0.000 0.000 0.337 66 T C -2.618 172.245 174.700 0.273 0.000 1.139 66 T CA -1.604 60.645 62.100 0.248 0.000 0.992 66 T CB 0.758 69.760 68.868 0.223 0.000 1.043 66 T HN 0.126 nan 8.240 nan 0.000 0.498 67 P HA 0.101 nan 4.420 nan 0.000 0.269 67 P C 0.123 177.510 177.300 0.145 0.000 1.215 67 P CA -0.874 62.333 63.100 0.179 0.000 0.780 67 P CB 0.444 32.211 31.700 0.112 0.000 0.898 68 L N 2.501 123.798 121.223 0.123 0.000 2.593 68 L HA 0.185 4.525 4.340 -0.000 0.000 0.287 68 L C 1.434 178.346 176.870 0.070 0.000 1.243 68 L CA 2.218 57.108 54.840 0.084 0.000 0.890 68 L CB -1.186 40.905 42.059 0.053 0.000 1.134 68 L HN 0.801 nan 8.230 nan 0.000 0.502 69 G N 2.187 111.027 108.800 0.067 0.000 2.195 69 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.246 69 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.246 69 G C 0.439 175.372 174.900 0.056 0.000 0.984 69 G CA 0.244 45.377 45.100 0.055 0.000 0.633 69 G HN 0.920 nan 8.290 nan 0.000 0.525 70 S N -0.412 115.328 115.700 0.068 0.000 2.593 70 S HA 0.505 4.975 4.470 -0.000 0.000 0.269 70 S C 0.495 175.130 174.600 0.057 0.000 1.334 70 S CA -0.159 58.078 58.200 0.062 0.000 1.015 70 S CB 2.231 65.476 63.200 0.076 0.000 0.912 70 S HN 0.733 nan 8.310 nan 0.000 0.541 71 V N 2.879 122.820 119.914 0.045 0.000 2.383 71 V HA 0.281 4.401 4.120 -0.000 0.000 0.275 71 V C -0.278 175.836 176.094 0.035 0.000 1.036 71 V CA -0.590 61.734 62.300 0.040 0.000 0.889 71 V CB 0.967 32.809 31.823 0.031 0.000 0.985 71 V HN 0.645 nan 8.190 nan 0.000 0.459 72 L N 5.654 126.901 121.223 0.039 0.000 2.264 72 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 72 L C -0.247 176.632 176.870 0.014 0.000 1.044 72 L CA 0.245 55.100 54.840 0.026 0.000 0.807 72 L CB 1.029 43.124 42.059 0.059 0.000 1.192 72 L HN 0.536 nan 8.230 nan 0.000 0.425 73 D N 5.692 126.083 120.400 -0.015 0.000 2.198 73 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 73 D C -0.800 175.482 176.300 -0.029 0.000 1.079 73 D CA 0.042 54.039 54.000 -0.005 0.000 0.854 73 D CB 1.858 42.649 40.800 -0.015 0.000 1.148 73 D HN 0.351 nan 8.370 nan 0.000 0.456 74 L N 1.764 123.009 121.223 0.036 0.000 2.333 74 L HA 0.370 4.710 4.340 -0.000 0.000 0.280 74 L C 0.289 177.220 176.870 0.101 0.000 1.004 74 L CA -0.429 54.433 54.840 0.037 0.000 0.820 74 L CB 2.016 44.105 42.059 0.050 0.000 1.247 74 L HN 0.130 nan 8.230 nan 0.000 0.416 75 T N 2.278 116.862 114.554 0.051 0.000 2.792 75 T HA 0.621 4.971 4.350 -0.000 0.000 0.280 75 T C -0.391 174.351 174.700 0.070 0.000 0.990 75 T CA -0.513 61.628 62.100 0.069 0.000 0.960 75 T CB 1.716 70.596 68.868 0.021 0.000 0.939 75 T HN 0.175 nan 8.240 nan 0.000 0.439 76 V N 3.265 123.241 119.914 0.103 0.000 2.398 76 V HA 0.482 4.602 4.120 -0.000 0.000 0.286 76 V C 0.148 176.276 176.094 0.057 0.000 1.026 76 V CA -0.780 61.569 62.300 0.082 0.000 0.868 76 V CB 1.523 33.417 31.823 0.119 0.000 0.982 76 V HN 0.881 nan 8.190 nan 0.000 0.443 77 E N 3.725 123.948 120.200 0.037 0.000 2.165 77 E HA 0.528 4.878 4.350 -0.000 0.000 0.266 77 E C -1.519 175.094 176.600 0.021 0.000 0.889 77 E CA -0.587 55.828 56.400 0.025 0.000 0.756 77 E CB 2.047 31.755 29.700 0.014 0.000 1.131 77 E HN 0.496 nan 8.360 nan 0.000 0.411 78 V N 7.017 126.943 119.914 0.020 0.000 2.385 78 V HA 0.100 4.220 4.120 -0.000 0.000 0.269 78 V C 1.188 177.288 176.094 0.009 0.000 1.043 78 V CA -0.126 62.184 62.300 0.016 0.000 0.906 78 V CB 0.976 32.810 31.823 0.019 0.000 0.995 78 V HN 0.835 nan 8.190 nan 0.000 0.467 79 L N 3.968 125.195 121.223 0.006 0.000 2.270 79 L HA 0.169 4.509 4.340 -0.000 0.000 0.210 79 L C 0.824 177.694 176.870 0.001 0.000 1.104 79 L CA 0.621 55.462 54.840 0.002 0.000 0.804 79 L CB -0.091 41.968 42.059 -0.001 0.000 0.937 79 L HN 0.893 nan 8.230 nan 0.000 0.450 80 Q N -1.814 117.988 119.800 0.002 0.000 2.574 80 Q HA 0.338 4.678 4.340 -0.000 0.000 0.265 80 Q C -1.043 174.960 176.000 0.004 0.000 0.975 80 Q CA -0.519 55.285 55.803 0.003 0.000 0.923 80 Q CB 1.525 30.263 28.738 0.000 0.000 1.518 80 Q HN -0.155 nan 8.270 nan 0.000 0.401 81 S N 0.951 116.655 115.700 0.006 0.000 2.381 81 S HA 0.674 5.144 4.470 -0.000 0.000 0.193 81 S C -0.608 173.997 174.600 0.008 0.000 1.287 81 S CA 0.220 58.424 58.200 0.007 0.000 1.199 81 S CB 0.499 63.706 63.200 0.010 0.000 1.214 81 S HN 0.880 nan 8.310 nan 0.000 0.444 82 G N 1.462 110.266 108.800 0.008 0.000 2.705 82 G HA2 0.559 4.519 3.960 -0.000 0.000 0.299 82 G HA3 0.559 4.519 3.960 -0.000 0.000 0.299 82 G C 0.847 175.755 174.900 0.013 0.000 1.315 82 G CA -0.082 45.024 45.100 0.010 0.000 1.045 82 G HN 0.776 nan 8.290 nan 0.000 0.517 83 R N -1.484 119.026 120.500 0.016 0.000 2.159 83 R HA -0.038 4.302 4.340 -0.000 0.000 0.237 83 R C 2.485 178.801 176.300 0.025 0.000 1.131 83 R CA 2.796 58.909 56.100 0.022 0.000 0.982 83 R CB -1.434 nan 30.300 nan 0.000 0.868 83 R HN 0.942 nan 8.270 nan 0.000 0.453 84 T N -4.186 110.381 114.554 0.022 0.000 2.990 84 T HA 0.400 4.750 4.350 -0.000 0.000 0.249 84 T C 0.521 175.224 174.700 0.004 0.000 1.039 84 T CA 0.541 62.654 62.100 0.022 0.000 1.036 84 T CB 0.353 69.237 68.868 0.027 0.000 0.994 84 T HN 0.274 nan 8.240 nan 0.000 0.489 85 L N 0.740 121.964 121.223 0.002 0.000 2.506 85 L HA 0.781 5.121 4.340 -0.000 0.000 0.257 85 L C -2.140 174.728 176.870 -0.003 0.000 0.964 85 L CA -0.678 54.158 54.840 -0.007 0.000 0.836 85 L CB 1.642 43.693 42.059 -0.013 0.000 1.384 85 L HN 0.292 nan 8.230 nan 0.000 0.410 86 A N 3.586 126.403 122.820 -0.006 0.000 2.435 86 A HA 0.837 5.157 4.320 -0.000 0.000 0.304 86 A C -1.338 176.242 177.584 -0.007 0.000 1.064 86 A CA -0.522 51.513 52.037 -0.003 0.000 0.727 86 A CB 2.126 21.127 19.000 0.002 0.000 1.284 86 A HN 0.745 nan 8.150 nan 0.000 0.415 87 Q N -0.223 119.574 119.800 -0.005 0.000 2.372 87 Q HA 0.700 5.040 4.340 -0.000 0.000 0.273 87 Q C -0.795 175.204 176.000 -0.002 0.000 1.078 87 Q CA -0.735 55.064 55.803 -0.007 0.000 0.806 87 Q CB 2.610 31.343 28.738 -0.009 0.000 1.332 87 Q HN 1.093 nan 8.270 nan 0.000 0.435 88 A N 2.083 124.902 122.820 -0.003 0.000 2.566 88 A HA 0.818 5.138 4.320 -0.000 0.000 0.292 88 A C -1.289 176.299 177.584 0.006 0.000 1.112 88 A CA -0.745 51.294 52.037 0.005 0.000 0.707 88 A CB 1.772 20.776 19.000 0.006 0.000 1.302 88 A HN 0.665 nan 8.150 nan 0.000 0.409 89 R N -0.027 120.483 120.500 0.016 0.000 2.670 89 R HA 0.670 5.010 4.340 -0.000 0.000 0.289 89 R C -1.668 174.655 176.300 0.039 0.000 0.965 89 R CA -0.700 55.418 56.100 0.029 0.000 0.899 89 R CB 2.304 32.623 30.300 0.032 0.000 1.173 89 R HN 0.434 nan 8.270 nan 0.000 0.456 90 V N 1.752 121.702 119.914 0.060 0.000 2.483 90 V HA 0.543 4.663 4.120 -0.000 0.000 0.297 90 V C -0.463 175.699 176.094 0.114 0.000 1.027 90 V CA -0.880 61.467 62.300 0.079 0.000 0.855 90 V CB 1.690 33.565 31.823 0.087 0.000 0.995 90 V HN 0.916 nan 8.190 nan 0.000 0.424 91 A N 3.343 126.181 122.820 0.030 0.000 2.304 91 A HA 0.881 5.201 4.320 -0.000 0.000 0.323 91 A C 0.310 177.719 177.584 -0.291 0.000 1.195 91 A CA -0.162 51.829 52.037 -0.078 0.000 0.826 91 A CB 1.310 20.273 19.000 -0.062 0.000 1.184 91 A HN 1.097 nan 8.150 nan 0.000 0.496 92 G N 1.129 109.443 108.800 -0.809 0.000 2.372 92 G HA2 0.598 4.558 3.960 -0.000 0.000 0.323 92 G HA3 0.598 4.558 3.960 -0.000 0.000 0.323 92 G C -0.275 174.267 174.900 -0.596 0.000 1.152 92 G CA 0.061 44.510 45.100 -1.086 0.000 0.906 92 G HN 1.187 nan 8.290 nan 0.000 0.460 93 T N -1.579 112.785 114.554 -0.317 0.000 2.909 93 T HA 0.660 5.010 4.350 -0.000 0.000 0.299 93 T C -1.067 173.577 174.700 -0.094 0.000 1.073 93 T CA -0.764 61.235 62.100 -0.168 0.000 0.999 93 T CB 2.085 70.888 68.868 -0.108 0.000 1.098 93 T HN 0.490 nan 8.240 nan 0.000 0.477 94 V N 2.412 122.296 119.914 -0.050 0.000 2.443 94 V HA 0.411 4.531 4.120 -0.000 0.000 0.293 94 V C -0.468 175.623 176.094 -0.005 0.000 1.021 94 V CA -0.629 61.664 62.300 -0.011 0.000 0.848 94 V CB 1.049 32.883 31.823 0.018 0.000 0.998 94 V HN 1.126 nan 8.190 nan 0.000 0.424 95 D N 4.229 124.627 120.400 -0.003 0.000 2.837 95 D HA -0.198 4.442 4.640 -0.000 0.000 0.230 95 D C 1.366 177.661 176.300 -0.007 0.000 1.152 95 D CA 1.941 55.941 54.000 -0.000 0.000 0.736 95 D CB -1.141 39.663 40.800 0.008 0.000 1.084 95 D HN 1.423 nan 8.370 nan 0.000 0.429 96 G N -0.185 108.605 108.800 -0.017 0.000 2.225 96 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.254 96 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.254 96 G C 0.391 175.275 174.900 -0.026 0.000 0.988 96 G CA 0.473 45.560 45.100 -0.022 0.000 0.625 96 G HN 0.647 nan 8.290 nan 0.000 0.527 97 R N 0.394 120.882 120.500 -0.021 0.000 2.340 97 R HA 0.533 4.873 4.340 -0.000 0.000 0.300 97 R C 0.153 176.430 176.300 -0.037 0.000 1.069 97 R CA -0.778 55.312 56.100 -0.017 0.000 0.984 97 R CB 0.311 30.611 30.300 0.002 0.000 1.003 97 R HN 0.232 nan 8.270 nan 0.000 0.459 98 L N 6.343 127.544 121.223 -0.038 0.000 2.418 98 L HA 0.018 4.358 4.340 -0.000 0.000 0.274 98 L C 0.761 177.609 176.870 -0.038 0.000 1.135 98 L CA 0.461 55.267 54.840 -0.058 0.000 0.870 98 L CB 1.574 43.614 42.059 -0.033 0.000 1.154 98 L HN 0.692 nan 8.230 nan 0.000 0.462 99 V N 2.713 122.571 119.914 -0.093 0.000 3.379 99 V HA 0.447 4.567 4.120 -0.000 0.000 0.249 99 V C -0.017 176.145 176.094 0.113 0.000 1.184 99 V CA 0.374 62.672 62.300 -0.003 0.000 1.106 99 V CB -0.473 31.362 31.823 0.021 0.000 0.826 99 V HN 0.694 nan 8.190 nan 0.000 0.465 100 F N 0.498 120.466 119.950 0.030 0.000 2.744 100 F HA 0.829 5.356 4.527 -0.000 0.000 0.311 100 F C -1.086 174.707 175.800 -0.012 0.000 1.144 100 F CA -1.297 56.674 58.000 -0.049 0.000 0.938 100 F CB 0.443 39.358 39.000 -0.141 0.000 1.292 100 F HN 0.352 nan 8.300 nan 0.000 0.444 101 H N -0.432 118.742 119.070 0.173 0.000 2.895 101 H HA 0.919 5.475 4.556 0.000 0.000 0.373 101 H C -1.406 173.958 175.328 0.061 0.000 1.174 101 H CA -0.502 55.602 56.048 0.094 0.000 1.144 101 H CB 2.049 31.810 29.762 -0.002 0.000 1.793 101 H HN 1.021 nan 8.280 nan 0.000 0.551 102 S N 1.254 117.000 115.700 0.077 0.000 2.579 102 S HA 0.775 5.245 4.470 -0.000 0.000 0.272 102 S C -0.596 174.012 174.600 0.013 0.000 1.141 102 S CA -0.598 57.572 58.200 -0.050 0.000 0.843 102 S CB 1.598 64.744 63.200 -0.089 0.000 1.122 102 S HN 1.319 nan 8.310 nan 0.000 0.468 103 G N 0.484 109.263 108.800 -0.034 0.000 2.609 103 G HA2 0.711 4.671 3.960 -0.000 0.000 0.308 103 G HA3 0.711 4.671 3.960 -0.000 0.000 0.308 103 G C -1.230 173.643 174.900 -0.045 0.000 1.369 103 G CA -0.797 44.291 45.100 -0.019 0.000 0.958 103 G HN 0.782 nan 8.290 nan 0.000 0.499 104 I N 1.111 121.660 120.570 -0.035 0.000 2.582 104 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 104 I C -0.208 175.890 176.117 -0.032 0.000 1.066 104 I CA -0.716 60.559 61.300 -0.042 0.000 1.053 104 I CB 2.591 40.565 38.000 -0.044 0.000 1.241 104 I HN 0.319 nan 8.210 nan 0.000 0.421 105 S N 6.253 121.931 115.700 -0.036 0.000 2.475 105 S HA 0.807 5.277 4.470 -0.000 0.000 0.298 105 S C -0.630 173.952 174.600 -0.030 0.000 1.119 105 S CA -0.581 57.601 58.200 -0.030 0.000 1.085 105 S CB 1.485 64.664 63.200 -0.035 0.000 1.028 105 S HN 0.275 nan 8.310 nan 0.000 0.489 106 L N 1.685 122.895 121.223 -0.023 0.000 2.388 106 L HA 0.970 5.310 4.340 -0.000 0.000 0.264 106 L C 0.418 177.277 176.870 -0.017 0.000 0.998 106 L CA -0.153 54.675 54.840 -0.019 0.000 0.817 106 L CB 2.059 44.111 42.059 -0.012 0.000 1.338 106 L HN 0.901 nan 8.230 nan 0.000 0.414 110 E N 0.050 120.359 120.200 0.182 0.000 2.349 110 E HA 0.529 4.879 4.350 -0.000 0.000 0.265 110 E C 1.084 177.769 176.600 0.143 0.000 1.064 110 E CA -0.155 56.330 56.400 0.142 0.000 0.886 110 E CB 0.849 30.592 29.700 0.070 0.000 1.036 110 E HN 1.075 nan 8.360 nan 0.000 0.413 111 G N -0.365 108.470 108.800 0.057 0.000 2.159 111 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.227 111 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.227 111 G C -0.097 174.645 174.900 -0.263 0.000 0.986 111 G CA 0.105 45.135 45.100 -0.117 0.000 0.651 111 G HN 0.638 nan 8.290 nan 0.000 0.523 112 F N 1.722 121.679 119.950 0.012 0.000 2.522 112 F HA 0.683 5.210 4.527 -0.000 0.000 0.324 112 F C 0.959 176.764 175.800 0.008 0.000 1.077 112 F CA -0.317 57.691 58.000 0.014 0.000 0.944 112 F CB 2.003 41.016 39.000 0.022 0.000 1.175 112 F HN 0.228 nan 8.300 nan 0.000 0.468 113 S N 1.434 117.247 115.700 0.189 0.000 2.617 113 S HA 0.781 5.251 4.470 -0.000 0.000 0.269 113 S C -0.267 174.384 174.600 0.084 0.000 1.292 113 S CA -0.814 57.443 58.200 0.096 0.000 1.010 113 S CB 1.370 64.596 63.200 0.045 0.000 0.944 113 S HN 0.854 nan 8.310 nan 0.000 0.536 114 A N 1.574 124.412 122.820 0.030 0.000 2.328 114 A HA 0.695 5.015 4.320 -0.000 0.000 0.284 114 A C 0.232 177.774 177.584 -0.070 0.000 1.160 114 A CA -0.736 51.301 52.037 0.001 0.000 0.818 114 A CB 0.268 19.269 19.000 0.002 0.000 1.087 114 A HN 0.899 nan 8.150 nan 0.000 0.504 115 R N 1.097 121.522 120.500 -0.125 0.000 2.651 115 R HA 0.528 4.868 4.340 -0.000 0.000 0.278 115 R C -1.370 174.707 176.300 -0.372 0.000 1.010 115 R CA -0.387 55.498 56.100 -0.358 0.000 0.896 115 R CB 1.626 31.584 30.300 -0.570 0.000 1.211 115 R HN 0.856 nan 8.270 nan 0.000 0.456 116 Q N 4.033 123.573 119.800 -0.434 0.000 2.274 116 Q HA 0.220 4.560 4.340 -0.000 0.000 0.268 116 Q C -0.554 175.320 176.000 -0.209 0.000 1.015 116 Q CA -0.631 55.070 55.803 -0.169 0.000 0.775 116 Q CB 1.086 29.824 28.738 -0.001 0.000 1.256 116 Q HN 0.766 nan 8.270 nan 0.000 0.442 117 W N 1.607 122.947 121.300 0.066 0.000 2.762 117 W HA 0.303 4.963 4.660 -0.000 0.000 0.265 117 W C 0.675 177.249 176.519 0.091 0.000 1.263 117 W CA 0.116 57.500 57.345 0.064 0.000 1.411 117 W CB 0.561 30.049 29.460 0.046 0.000 1.065 117 W HN 0.660 nan 8.180 nan 0.000 0.609 118 A N 1.699 124.738 122.820 0.364 0.000 2.388 118 A HA 0.395 4.715 4.320 -0.000 0.000 0.257 118 A C -0.857 176.939 177.584 0.353 0.000 1.095 118 A CA -0.129 52.115 52.037 0.345 0.000 0.791 118 A CB 0.498 19.718 19.000 0.367 0.000 1.029 118 A HN 0.096 nan 8.150 nan 0.000 0.489 119 L N 2.408 123.783 121.223 0.253 0.000 2.322 119 L HA 0.687 5.027 4.340 -0.000 0.000 0.281 119 L C 0.553 177.310 176.870 -0.188 0.000 1.014 119 L CA -0.082 54.799 54.840 0.068 0.000 0.815 119 L CB 1.314 43.386 42.059 0.022 0.000 1.247 119 L HN 0.872 nan 8.230 nan 0.000 0.421 120 A N 6.760 129.184 122.820 -0.660 0.000 2.498 120 A HA 0.491 4.811 4.320 -0.000 0.000 0.239 120 A C -2.235 174.966 177.584 -0.638 0.000 1.068 120 A CA -0.781 50.450 52.037 -1.344 0.000 0.766 120 A CB -0.919 17.317 19.000 -1.272 0.000 1.003 120 A HN 0.644 nan 8.150 nan 0.000 0.497 121 P HA 0.199 nan 4.420 nan 0.000 0.271 121 P C -2.581 174.566 177.300 -0.255 0.000 1.218 121 P CA -1.211 61.716 63.100 -0.288 0.000 0.780 121 P CB 0.012 31.583 31.700 -0.215 0.000 0.901 122 P HA 0.050 nan 4.420 nan 0.000 0.220 122 P C 0.187 177.439 177.300 -0.080 0.000 1.806 122 P CA -0.185 62.849 63.100 -0.109 0.000 0.976 122 P CB -0.336 31.319 31.700 -0.075 0.000 1.952 123 V N -0.516 119.342 119.914 -0.092 0.000 2.953 123 V HA 0.556 4.676 4.120 -0.000 0.000 0.304 123 V C -2.301 173.825 176.094 0.053 0.000 1.073 123 V CA -2.296 59.978 62.300 -0.043 0.000 1.064 123 V CB -0.356 31.393 31.823 -0.122 0.000 1.047 123 V HN 0.048 nan 8.190 nan 0.000 0.478 124 P HA 0.205 nan 4.420 nan 0.000 0.272 124 P C -0.415 176.979 177.300 0.158 0.000 1.223 124 P CA -0.230 62.915 63.100 0.074 0.000 0.784 124 P CB 0.268 31.988 31.700 0.034 0.000 0.923 125 Q N 2.275 122.065 119.800 -0.017 0.000 2.524 125 Q HA 0.015 4.355 4.340 -0.000 0.000 0.246 125 Q C -1.459 174.189 176.000 -0.587 0.000 1.063 125 Q CA -1.010 54.638 55.803 -0.258 0.000 0.945 125 Q CB -0.562 28.026 28.738 -0.251 0.000 1.292 125 Q HN 0.309 nan 8.270 nan 0.000 0.518 126 P HA -0.152 nan 4.420 nan 0.000 0.216 126 P C 0.230 177.037 177.300 -0.822 0.000 1.153 126 P CA 1.351 63.498 63.100 -1.590 0.000 0.858 126 P CB 0.256 30.483 31.700 -2.453 0.000 0.789 127 D N -1.764 118.306 120.400 -0.549 0.000 2.363 127 D HA -0.028 4.612 4.640 -0.000 0.000 0.226 127 D C 0.793 176.972 176.300 -0.203 0.000 1.020 127 D CA 0.628 54.453 54.000 -0.293 0.000 0.892 127 D CB -0.528 40.159 40.800 -0.188 0.000 0.900 127 D HN 0.175 nan 8.370 nan 0.000 0.531 128 N N -0.393 118.179 118.700 -0.214 0.000 2.214 128 N HA 0.051 4.791 4.740 -0.000 0.000 0.214 128 N C -0.595 174.861 175.510 -0.090 0.000 1.132 128 N CA -0.042 52.934 53.050 -0.122 0.000 0.856 128 N CB 0.606 39.035 38.487 -0.097 0.000 1.020 128 N HN 0.038 nan 8.380 nan 0.000 0.509 129 C N 2.254 121.481 119.300 -0.122 0.000 2.455 129 C HA 0.522 4.982 4.460 -0.000 0.000 0.320 129 C C -2.024 172.934 174.990 -0.053 0.000 1.226 129 C CA -1.316 57.670 59.018 -0.053 0.000 1.569 129 C CB 2.500 30.249 27.740 0.016 0.000 2.200 129 C HN 0.232 nan 8.230 nan 0.000 0.491 130 P HA 0.336 nan 4.420 nan 0.000 0.276 130 P C -2.816 174.493 177.300 0.016 0.000 1.244 130 P CA -1.378 61.719 63.100 -0.004 0.000 0.801 130 P CB -0.018 31.683 31.700 0.003 0.000 1.006 131 P HA -0.014 nan 4.420 nan 0.000 0.267 131 P C -0.051 177.278 177.300 0.048 0.000 1.200 131 P CA -0.141 62.989 63.100 0.050 0.000 0.772 131 P CB 0.168 31.896 31.700 0.047 0.000 0.855 132 C N 3.471 122.810 119.300 0.065 0.000 2.464 132 C HA 0.264 4.724 4.460 -0.000 0.000 0.370 132 C C 1.599 176.620 174.990 0.051 0.000 1.267 132 C CA 0.496 59.550 59.018 0.060 0.000 1.781 132 C CB -1.542 26.247 27.740 0.081 0.000 2.431 132 C HN 0.738 nan 8.230 nan 0.000 0.556 133 T N 0.501 115.078 114.554 0.038 0.000 3.092 133 T HA 0.090 4.440 4.350 -0.000 0.000 0.258 133 T C 0.816 175.531 174.700 0.026 0.000 1.031 133 T CA 0.553 62.670 62.100 0.029 0.000 0.925 133 T CB -0.348 68.534 68.868 0.022 0.000 1.036 133 T HN 0.844 nan 8.240 nan 0.000 0.544 134 T N 0.125 114.697 114.554 0.031 0.000 3.266 134 T HA 0.493 4.843 4.350 -0.000 0.000 0.278 134 T C 0.309 175.026 174.700 0.029 0.000 1.010 134 T CA -0.646 61.470 62.100 0.026 0.000 0.909 134 T CB -0.491 68.392 68.868 0.026 0.000 1.122 134 T HN 0.304 nan 8.240 nan 0.000 0.536 135 L N 2.683 123.924 121.223 0.031 0.000 2.467 135 L HA 0.359 4.699 4.340 -0.000 0.000 0.270 135 L C -1.515 175.359 176.870 0.007 0.000 1.205 135 L CA -1.907 52.948 54.840 0.025 0.000 0.828 135 L CB 0.087 42.161 42.059 0.024 0.000 1.101 135 L HN 0.163 nan 8.230 nan 0.000 0.479 136 P HA 0.112 nan 4.420 nan 0.000 0.271 136 P C -0.789 176.502 177.300 -0.014 0.000 1.218 136 P CA -0.492 62.603 63.100 -0.009 0.000 0.780 136 P CB 0.724 32.415 31.700 -0.015 0.000 0.901 137 A N 3.294 126.110 122.820 -0.008 0.000 2.531 137 A HA 0.148 4.468 4.320 -0.000 0.000 0.236 137 A C 0.333 177.908 177.584 -0.014 0.000 1.062 137 A CA 0.201 52.233 52.037 -0.008 0.000 0.760 137 A CB -0.252 18.748 19.000 -0.000 0.000 0.995 137 A HN 0.510 nan 8.150 nan 0.000 0.501 138 Q N 1.057 120.845 119.800 -0.019 0.000 2.394 138 Q HA 0.228 4.568 4.340 -0.000 0.000 0.273 138 Q C -0.729 175.261 176.000 -0.017 0.000 1.089 138 Q CA -0.713 55.073 55.803 -0.029 0.000 0.812 138 Q CB 1.962 30.671 28.738 -0.048 0.000 1.353 138 Q HN 0.923 nan 8.270 nan 0.000 0.438 139 D N 1.099 121.490 120.400 -0.014 0.000 2.472 139 D HA -0.087 4.553 4.640 -0.000 0.000 0.237 139 D C -0.081 176.209 176.300 -0.017 0.000 1.141 139 D CA 0.147 54.143 54.000 -0.007 0.000 0.875 139 D CB 0.932 41.729 40.800 -0.004 0.000 1.192 139 D HN 0.332 nan 8.370 nan 0.000 0.450 140 D N 2.574 122.967 120.400 -0.012 0.000 2.350 140 D HA -0.102 4.538 4.640 -0.000 0.000 0.216 140 D C 0.779 177.072 176.300 -0.012 0.000 0.968 140 D CA 0.881 54.874 54.000 -0.012 0.000 0.894 140 D CB -0.078 40.717 40.800 -0.008 0.000 0.909 140 D HN 0.505 nan 8.370 nan 0.000 0.520 141 N N -0.483 118.209 118.700 -0.013 0.000 2.236 141 N HA 0.183 4.923 4.740 -0.000 0.000 0.196 141 N C -0.034 175.469 175.510 -0.012 0.000 1.114 141 N CA -0.085 52.960 53.050 -0.008 0.000 0.859 141 N CB 0.902 39.385 38.487 -0.007 0.000 0.982 141 N HN -0.063 nan 8.380 nan 0.000 0.493 142 A N 1.155 123.959 122.820 -0.028 0.000 2.511 142 A HA 0.363 4.683 4.320 -0.000 0.000 0.340 142 A C 0.442 178.006 177.584 -0.033 0.000 1.396 142 A CA -0.638 51.370 52.037 -0.048 0.000 0.887 142 A CB 0.156 19.093 19.000 -0.105 0.000 1.145 142 A HN 0.225 nan 8.150 nan 0.000 0.497 143 R N 1.173 121.671 120.500 -0.003 0.000 2.509 143 R HA 0.071 4.411 4.340 -0.000 0.000 0.300 143 R C 0.843 177.137 176.300 -0.010 0.000 0.985 143 R CA -0.102 55.992 56.100 -0.010 0.000 1.092 143 R CB -0.004 30.294 30.300 -0.004 0.000 1.237 143 R HN 0.818 nan 8.270 nan 0.000 0.546 144 Y N 1.848 122.092 120.300 -0.093 0.000 2.128 144 Y HA -0.207 4.344 4.550 0.001 0.000 0.284 144 Y C 1.742 177.581 175.900 -0.103 0.000 1.154 144 Y CA 1.600 59.637 58.100 -0.106 0.000 1.149 144 Y CB -0.161 38.164 38.460 -0.225 0.000 0.976 144 Y HN -0.005 nan 8.280 nan 0.000 0.505 145 L N 0.243 121.308 121.223 -0.264 0.000 2.191 145 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 145 L C 2.222 178.964 176.870 -0.212 0.000 1.103 145 L CA 1.598 56.266 54.840 -0.287 0.000 0.769 145 L CB -0.548 41.432 42.059 -0.131 0.000 0.908 145 L HN 0.357 nan 8.230 nan 0.000 0.438 146 E N -0.149 119.956 120.200 -0.158 0.000 2.265 146 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 146 E C 1.957 178.489 176.600 -0.114 0.000 0.996 146 E CA 0.886 57.227 56.400 -0.098 0.000 0.832 146 E CB -0.171 29.490 29.700 -0.064 0.000 0.756 146 E HN 0.539 nan 8.360 nan 0.000 0.491 147 G N 0.409 109.095 108.800 -0.191 0.000 3.088 147 G HA2 0.081 4.041 3.960 -0.000 0.000 0.212 147 G HA3 0.081 4.041 3.960 -0.000 0.000 0.212 147 G C 0.383 175.192 174.900 -0.151 0.000 1.173 147 G CA -0.138 44.863 45.100 -0.166 0.000 0.779 147 G HN -0.015 nan 8.290 nan 0.000 0.540 148 I N 0.480 120.967 120.570 -0.138 0.000 2.465 148 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 148 I C -0.546 175.577 176.117 0.009 0.000 1.014 148 I CA -1.548 59.734 61.300 -0.031 0.000 1.093 148 I CB 1.784 39.824 38.000 0.067 0.000 1.267 148 I HN 0.033 nan 8.210 nan 0.000 0.431 149 E N 5.467 125.670 120.200 0.004 0.000 2.194 149 E HA 0.480 4.830 4.350 -0.000 0.000 0.284 149 E C -1.428 175.284 176.600 0.186 0.000 1.035 149 E CA -0.358 56.084 56.400 0.070 0.000 0.836 149 E CB 1.162 30.877 29.700 0.025 0.000 1.070 149 E HN 0.391 nan 8.360 nan 0.000 0.401 150 V N 5.775 125.807 119.914 0.197 0.000 2.487 150 V HA 0.493 4.612 4.120 -0.000 0.000 0.298 150 V C -0.114 176.094 176.094 0.190 0.000 1.028 150 V CA -0.773 61.649 62.300 0.203 0.000 0.860 150 V CB 1.608 33.532 31.823 0.167 0.000 0.991 150 V HN 0.698 nan 8.190 nan 0.000 0.427 151 R N 2.290 122.906 120.500 0.194 0.000 2.803 151 R HA 0.552 4.892 4.340 -0.000 0.000 0.276 151 R C -0.982 175.380 176.300 0.104 0.000 0.978 151 R CA -0.960 55.209 56.100 0.116 0.000 0.939 151 R CB 2.193 32.508 30.300 0.025 0.000 1.179 151 R HN 0.588 nan 8.270 nan 0.000 0.472 152 E N 1.307 121.548 120.200 0.068 0.000 2.180 152 E HA 0.139 4.489 4.350 -0.000 0.000 0.283 152 E C -0.080 176.543 176.600 0.038 0.000 1.061 152 E CA -0.042 56.381 56.400 0.038 0.000 0.861 152 E CB 1.644 31.360 29.700 0.026 0.000 1.056 152 E HN 0.735 nan 8.360 nan 0.000 0.407 153 A N 2.761 125.559 122.820 -0.035 0.000 2.390 153 A HA 0.220 4.540 4.320 -0.000 0.000 0.232 153 A C 1.691 179.223 177.584 -0.088 0.000 1.233 153 A CA 0.467 52.452 52.037 -0.086 0.000 0.907 153 A CB 0.330 19.053 19.000 -0.461 0.000 0.967 153 A HN 0.590 nan 8.150 nan 0.000 0.512 154 G N -0.455 108.309 108.800 -0.061 0.000 2.623 154 G HA2 0.408 4.368 3.960 -0.000 0.000 0.214 154 G HA3 0.408 4.368 3.960 -0.000 0.000 0.214 154 G C 1.037 175.918 174.900 -0.031 0.000 1.138 154 G CA 0.637 45.707 45.100 -0.051 0.000 0.794 154 G HN 1.570 nan 8.290 nan 0.000 0.535 155 G N 0.173 108.962 108.800 -0.019 0.000 2.855 155 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.352 155 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.352 155 G C -0.849 174.046 174.900 -0.010 0.000 1.415 155 G CA -0.081 45.012 45.100 -0.013 0.000 0.871 155 G HN 0.189 nan 8.290 nan 0.000 0.543 156 P HA 0.237 nan 4.420 nan 0.000 0.219 156 P C 1.105 178.402 177.300 -0.005 0.000 1.150 156 P CA 2.578 65.675 63.100 -0.005 0.000 0.814 156 P CB 0.014 31.711 31.700 -0.005 0.000 0.787 157 E N 0.338 120.533 120.200 -0.008 0.000 3.105 157 E HA 0.352 4.702 4.350 -0.000 0.000 0.219 157 E C -0.109 176.486 176.600 -0.008 0.000 1.064 157 E CA -0.524 55.872 56.400 -0.007 0.000 1.342 157 E CB -0.610 29.085 29.700 -0.007 0.000 1.295 157 E HN 0.078 nan 8.360 nan 0.000 0.438 158 V N 1.667 121.575 119.914 -0.009 0.000 2.673 158 V HA 0.268 4.388 4.120 -0.000 0.000 0.303 158 V C -2.136 173.955 176.094 -0.005 0.000 1.046 158 V CA -1.253 61.041 62.300 -0.011 0.000 1.126 158 V CB 1.361 33.177 31.823 -0.012 0.000 0.934 158 V HN 0.460 nan 8.190 nan 0.000 0.487 159 P HA 0.119 nan 4.420 nan 0.000 0.270 159 P C -0.494 176.809 177.300 0.006 0.000 1.223 159 P CA -0.064 63.037 63.100 0.001 0.000 0.785 159 P CB 0.347 32.048 31.700 0.003 0.000 0.923 160 S N 0.742 116.447 115.700 0.008 0.000 2.626 160 S HA 0.252 4.722 4.470 -0.000 0.000 0.303 160 S C 1.514 176.122 174.600 0.014 0.000 1.256 160 S CA 1.186 59.392 58.200 0.011 0.000 1.069 160 S CB -1.418 61.788 63.200 0.010 0.000 0.807 160 S HN 0.873 nan 8.310 nan 0.000 0.500 161 G N 4.792 113.602 108.800 0.017 0.000 2.205 161 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.261 161 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.261 161 G C 0.114 175.029 174.900 0.025 0.000 0.980 161 G CA 0.267 45.380 45.100 0.022 0.000 0.632 161 G HN 0.762 nan 8.290 nan 0.000 0.533 162 R N 0.283 120.795 120.500 0.020 0.000 2.457 162 R HA 0.643 4.983 4.340 -0.000 0.000 0.284 162 R C -0.756 175.555 176.300 0.017 0.000 1.024 162 R CA -0.007 56.105 56.100 0.020 0.000 1.025 162 R CB 1.282 31.590 30.300 0.013 0.000 1.063 162 R HN 0.126 nan 8.270 nan 0.000 0.493 163 T N 2.642 117.208 114.554 0.020 0.000 3.011 163 T HA 0.353 4.703 4.350 -0.000 0.000 0.303 163 T C -0.713 173.984 174.700 -0.004 0.000 0.997 163 T CA -0.788 61.322 62.100 0.017 0.000 1.007 163 T CB 1.267 70.160 68.868 0.043 0.000 1.017 163 T HN 0.400 nan 8.240 nan 0.000 0.443 164 R N 2.971 123.446 120.500 -0.042 0.000 2.388 164 R HA 0.652 4.992 4.340 -0.000 0.000 0.314 164 R C -1.001 175.209 176.300 -0.151 0.000 0.959 164 R CA -0.636 55.397 56.100 -0.113 0.000 0.851 164 R CB 1.440 31.648 30.300 -0.154 0.000 1.168 164 R HN 0.443 nan 8.270 nan 0.000 0.472 165 L N 2.127 123.246 121.223 -0.173 0.000 2.362 165 L HA 0.525 4.865 4.340 -0.000 0.000 0.271 165 L C -0.731 175.998 176.870 -0.234 0.000 1.002 165 L CA -0.901 53.854 54.840 -0.142 0.000 0.818 165 L CB 1.826 43.853 42.059 -0.052 0.000 1.298 165 L HN 0.468 nan 8.230 nan 0.000 0.420 166 W N 3.734 124.988 121.300 -0.076 0.000 2.322 166 W HA 0.588 5.248 4.660 -0.000 0.000 0.307 166 W C -0.589 175.981 176.519 0.086 0.000 1.220 166 W CA -0.252 57.071 57.345 -0.038 0.000 1.210 166 W CB 0.985 30.280 29.460 -0.275 0.000 1.223 166 W HN 0.160 nan 8.180 nan 0.000 0.511 167 L N 4.102 125.494 121.223 0.281 0.000 2.365 167 L HA 0.677 5.017 4.340 -0.000 0.000 0.273 167 L C -0.195 176.630 176.870 -0.075 0.000 1.000 167 L CA -1.251 53.499 54.840 -0.150 0.000 0.819 167 L CB 2.144 43.492 42.059 -1.185 0.000 1.284 167 L HN 0.369 nan 8.230 nan 0.000 0.418 168 R N 2.209 122.608 120.500 -0.169 0.000 2.522 168 R HA 0.413 4.753 4.340 -0.000 0.000 0.283 168 R C -1.039 175.201 176.300 -0.099 0.000 1.074 168 R CA -0.795 55.111 56.100 -0.324 0.000 0.925 168 R CB 1.779 31.325 30.300 -1.256 0.000 1.205 168 R HN 0.615 nan 8.270 nan 0.000 0.436 169 R N 3.152 123.697 120.500 0.074 0.000 2.449 169 R HA 0.034 4.374 4.340 -0.000 0.000 0.296 169 R C 0.705 176.951 176.300 -0.090 0.000 1.047 169 R CA 0.223 56.338 56.100 0.025 0.000 1.018 169 R CB 0.770 31.075 30.300 0.008 0.000 0.962 169 R HN 0.551 nan 8.270 nan 0.000 0.428 170 K N 1.521 121.870 120.400 -0.085 0.000 2.283 170 K HA -0.136 4.184 4.320 -0.000 0.000 0.202 170 K C 0.884 177.436 176.600 -0.080 0.000 1.048 170 K CA 1.424 57.655 56.287 -0.094 0.000 0.948 170 K CB 0.118 32.575 32.500 -0.073 0.000 0.742 170 K HN 0.618 nan 8.250 nan 0.000 0.458 171 D N -0.478 119.880 120.400 -0.070 0.000 2.349 171 D HA -0.003 4.636 4.640 -0.000 0.000 0.224 171 D C 1.029 177.289 176.300 -0.067 0.000 1.029 171 D CA 0.632 54.595 54.000 -0.062 0.000 0.879 171 D CB -0.083 40.684 40.800 -0.055 0.000 0.906 171 D HN 0.190 nan 8.370 nan 0.000 0.528 172 G N -0.176 108.575 108.800 -0.081 0.000 2.168 172 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 172 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 172 G C 0.589 175.447 174.900 -0.070 0.000 0.997 172 G CA 0.334 45.385 45.100 -0.082 0.000 0.708 172 G HN 0.860 nan 8.290 nan 0.000 0.520 173 A N 0.751 123.526 122.820 -0.074 0.000 2.466 173 A HA 0.603 4.923 4.320 -0.000 0.000 0.238 173 A C -0.590 176.955 177.584 -0.065 0.000 1.074 173 A CA -0.095 51.895 52.037 -0.078 0.000 0.774 173 A CB 0.310 19.244 19.000 -0.110 0.000 1.015 173 A HN 0.354 nan 8.150 nan 0.000 0.498 174 P HA 0.119 nan 4.420 nan 0.000 0.272 174 P C -0.433 176.843 177.300 -0.040 0.000 1.240 174 P CA -0.208 62.871 63.100 -0.034 0.000 0.791 174 P CB 0.454 32.138 31.700 -0.026 0.000 0.978 175 L N 1.461 122.683 121.223 -0.003 0.000 2.533 175 L HA 0.076 4.416 4.340 -0.000 0.000 0.239 175 L C 1.056 177.923 176.870 -0.006 0.000 1.376 175 L CA -0.278 54.569 54.840 0.012 0.000 1.240 175 L CB -1.282 40.829 42.059 0.087 0.000 1.487 175 L HN 0.424 nan 8.230 nan 0.000 0.419 176 D N -0.108 120.267 120.400 -0.041 0.000 2.478 176 D HA 0.178 4.818 4.640 -0.000 0.000 0.274 176 D C 1.280 177.555 176.300 -0.042 0.000 1.234 176 D CA -0.130 53.849 54.000 -0.036 0.000 1.069 176 D CB 0.856 41.630 40.800 -0.042 0.000 1.113 176 D HN 0.051 nan 8.370 nan 0.000 0.571 177 A N -0.243 122.560 122.820 -0.028 0.000 1.940 177 A HA 0.008 4.327 4.320 -0.000 0.000 0.219 177 A C 2.183 179.751 177.584 -0.027 0.000 1.176 177 A CA 2.718 54.740 52.037 -0.024 0.000 0.631 177 A CB -1.361 17.630 19.000 -0.016 0.000 0.814 177 A HN 0.681 nan 8.150 nan 0.000 0.446 178 A N -0.616 122.190 122.820 -0.023 0.000 1.877 178 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 178 A C 2.467 180.004 177.584 -0.079 0.000 1.186 178 A CA 2.097 54.135 52.037 0.003 0.000 0.620 178 A CB -0.953 18.037 19.000 -0.017 0.000 0.822 178 A HN 0.454 nan 8.150 nan 0.000 0.443 179 S N -0.066 115.531 115.700 -0.171 0.000 2.368 179 S HA -0.109 4.360 4.470 -0.000 0.000 0.225 179 S C 1.844 176.219 174.600 -0.376 0.000 1.030 179 S CA 1.537 59.520 58.200 -0.362 0.000 0.999 179 S CB -0.498 62.478 63.200 -0.373 0.000 0.844 179 S HN 0.489 nan 8.310 nan 0.000 0.459 180 L N 1.099 122.235 121.223 -0.145 0.000 2.046 180 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 180 L C 1.652 178.536 176.870 0.023 0.000 1.077 180 L CA 0.526 55.359 54.840 -0.012 0.000 0.747 180 L CB -0.838 41.226 42.059 0.007 0.000 0.896 180 L HN 0.245 nan 8.230 nan 0.000 0.432 184 A N -0.289 122.739 122.820 0.346 0.000 1.972 184 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 184 A C 1.479 179.217 177.584 0.257 0.000 1.169 184 A CA 2.310 54.477 52.037 0.216 0.000 0.635 184 A CB -0.670 18.387 19.000 0.096 0.000 0.810 184 A HN 0.221 nan 8.150 nan 0.000 0.446 185 D N -1.730 118.857 120.400 0.312 0.000 2.413 185 D HA 0.148 4.788 4.640 -0.000 0.000 0.237 185 D C 0.267 176.856 176.300 0.482 0.000 1.171 185 D CA -0.056 54.091 54.000 0.245 0.000 0.839 185 D CB -0.475 40.234 40.800 -0.152 0.000 0.950 185 D HN 0.312 nan 8.370 nan 0.000 0.499 186 F N -0.118 120.010 119.950 0.297 0.000 2.797 186 F HA 0.220 4.747 4.527 -0.001 0.000 0.302 186 F C 1.764 177.660 175.800 0.159 0.000 1.130 186 F CA 0.040 58.192 58.000 0.254 0.000 1.387 186 F CB -0.035 39.094 39.000 0.215 0.000 1.107 186 F HN 0.076 nan 8.300 nan 0.000 0.577 187 L N 0.386 121.771 121.223 0.271 0.000 2.131 187 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 187 L C -0.388 176.559 176.870 0.128 0.000 1.092 187 L CA 1.209 56.151 54.840 0.170 0.000 0.759 187 L CB -1.526 40.610 42.059 0.128 0.000 0.903 187 L HN 0.035 nan 8.230 nan 0.000 0.435 188 P HA -0.183 nan 4.420 nan 0.000 0.219 188 P C 1.695 179.035 177.300 0.067 0.000 1.146 188 P CA 1.464 64.613 63.100 0.081 0.000 0.808 188 P CB 0.038 31.785 31.700 0.078 0.000 0.779 189 I N -0.868 119.748 120.570 0.076 0.000 2.315 189 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 189 I C 2.278 178.444 176.117 0.082 0.000 1.117 189 I CA 1.261 62.604 61.300 0.071 0.000 1.404 189 I CB -0.684 37.374 38.000 0.096 0.000 1.071 189 I HN -0.080 nan 8.210 nan 0.000 0.419 190 A N 0.643 123.523 122.820 0.100 0.000 1.969 190 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 190 A C 2.224 179.844 177.584 0.060 0.000 1.169 190 A CA 1.291 53.377 52.037 0.081 0.000 0.635 190 A CB -0.620 18.433 19.000 0.088 0.000 0.810 190 A HN 0.378 nan 8.150 nan 0.000 0.445 191 L N 0.116 121.375 121.223 0.060 0.000 2.056 191 L HA 0.025 4.365 4.340 -0.000 0.000 0.207 191 L C 2.360 179.251 176.870 0.036 0.000 1.078 191 L CA 2.309 57.176 54.840 0.046 0.000 0.749 191 L CB -1.133 40.955 42.059 0.048 0.000 0.901 191 L HN 0.276 nan 8.230 nan 0.000 0.433 192 G N -0.738 108.083 108.800 0.035 0.000 2.422 192 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 192 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 192 G C 1.732 176.647 174.900 0.025 0.000 1.146 192 G CA 0.700 45.816 45.100 0.026 0.000 0.769 192 G HN 0.396 nan 8.290 nan 0.000 0.547 193 R N 0.343 120.863 120.500 0.032 0.000 2.090 193 R HA 0.101 4.441 4.340 -0.000 0.000 0.228 193 R C 2.981 179.295 176.300 0.024 0.000 1.110 193 R CA 1.017 57.135 56.100 0.029 0.000 0.973 193 R CB -0.314 30.006 30.300 0.034 0.000 0.869 193 R HN 0.351 nan 8.270 nan 0.000 0.440 194 A N 0.857 123.693 122.820 0.027 0.000 1.929 194 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 194 A C 2.226 179.821 177.584 0.019 0.000 1.176 194 A CA 1.868 53.919 52.037 0.023 0.000 0.628 194 A CB -0.516 18.500 19.000 0.028 0.000 0.816 194 A HN 0.469 nan 8.150 nan 0.000 0.444 195 T N -5.100 109.465 114.554 0.018 0.000 3.031 195 T HA 0.396 4.746 4.350 -0.000 0.000 0.254 195 T C 1.487 176.193 174.700 0.010 0.000 1.060 195 T CA 1.272 63.380 62.100 0.012 0.000 1.135 195 T CB 0.112 68.986 68.868 0.009 0.000 0.896 195 T HN 1.649 nan 8.240 nan 0.000 0.472 196 G N 0.408 109.215 108.800 0.011 0.000 2.163 196 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.213 196 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.213 196 G C 0.034 174.938 174.900 0.007 0.000 0.991 196 G CA -0.292 44.813 45.100 0.009 0.000 0.653 196 G HN 0.775 nan 8.290 nan 0.000 0.518 197 C N 1.806 121.110 119.300 0.007 0.000 2.291 197 C HA 0.792 5.252 4.460 -0.000 0.000 0.322 197 C C 1.184 176.177 174.990 0.005 0.000 1.205 197 C CA -0.216 58.804 59.018 0.003 0.000 1.495 197 C CB 0.156 27.895 27.740 -0.002 0.000 2.127 197 C HN 0.639 nan 8.230 nan 0.000 0.452 202 N N 0.196 118.913 118.700 0.028 0.000 2.405 202 N HA 0.540 5.280 4.740 -0.000 0.000 0.299 202 N C -0.036 175.480 175.510 0.011 0.000 1.075 202 N CA -0.378 52.687 53.050 0.025 0.000 0.884 202 N CB 1.849 40.358 38.487 0.037 0.000 1.194 202 N HN 0.454 nan 8.380 nan 0.000 0.491 203 S N 1.455 117.137 115.700 -0.030 0.000 2.549 203 S HA 0.159 4.629 4.470 -0.000 0.000 0.283 203 S C 1.741 176.391 174.600 0.084 0.000 1.320 203 S CA -0.409 57.808 58.200 0.029 0.000 1.058 203 S CB 0.693 63.909 63.200 0.026 0.000 0.882 203 S HN 0.398 nan 8.310 nan 0.000 0.498 204 L N 1.393 122.712 121.223 0.160 0.000 2.354 204 L HA 0.196 4.536 4.340 -0.000 0.000 0.212 204 L C 0.740 177.734 176.870 0.206 0.000 1.091 204 L CA 0.472 55.412 54.840 0.166 0.000 0.828 204 L CB -0.124 41.998 42.059 0.106 0.000 0.973 204 L HN 0.746 nan 8.230 nan 0.000 0.461 205 D N -1.969 118.552 120.400 0.201 0.000 2.692 205 D HA 0.168 4.808 4.640 -0.000 0.000 0.290 205 D C -1.289 175.010 176.300 -0.002 0.000 1.281 205 D CA -0.587 53.367 54.000 -0.077 0.000 0.804 205 D CB 1.474 42.190 40.800 -0.141 0.000 1.331 205 D HN -0.117 nan 8.370 nan 0.000 0.432 206 N N -0.849 117.721 118.700 -0.216 0.000 2.260 206 N HA 0.466 5.206 4.740 -0.000 0.000 0.293 206 N C -1.612 173.795 175.510 -0.170 0.000 1.058 206 N CA -0.567 52.406 53.050 -0.128 0.000 0.824 206 N CB 2.208 40.612 38.487 -0.139 0.000 1.551 206 N HN 0.268 nan 8.380 nan 0.000 0.475 207 S N 1.630 117.268 115.700 -0.104 0.000 2.521 207 S HA 0.617 5.087 4.470 -0.000 0.000 0.295 207 S C -1.377 173.177 174.600 -0.076 0.000 1.098 207 S CA -0.470 57.671 58.200 -0.099 0.000 0.999 207 S CB 1.568 64.722 63.200 -0.078 0.000 1.034 207 S HN 0.393 nan 8.310 nan 0.000 0.483 208 L N 3.362 124.537 121.223 -0.080 0.000 2.436 208 L HA 0.611 4.951 4.340 -0.000 0.000 0.268 208 L C -1.260 175.573 176.870 -0.062 0.000 0.974 208 L CA -0.246 54.556 54.840 -0.064 0.000 0.826 208 L CB 1.589 43.610 42.059 -0.064 0.000 1.291 208 L HN 0.633 nan 8.230 nan 0.000 0.406 209 R N 6.027 126.493 120.500 -0.058 0.000 2.409 209 R HA 0.618 4.958 4.340 -0.000 0.000 0.313 209 R C -1.206 175.061 176.300 -0.055 0.000 0.953 209 R CA -0.591 55.475 56.100 -0.056 0.000 0.849 209 R CB 1.613 31.879 30.300 -0.057 0.000 1.171 209 R HN 0.541 nan 8.270 nan 0.000 0.458 210 I N 2.096 122.638 120.570 -0.047 0.000 2.336 210 I HA 0.170 4.340 4.170 -0.000 0.000 0.292 210 I C 0.864 176.961 176.117 -0.034 0.000 0.991 210 I CA -0.182 61.094 61.300 -0.040 0.000 1.227 210 I CB 2.061 40.042 38.000 -0.032 0.000 1.366 210 I HN 0.625 nan 8.210 nan 0.000 0.466 211 T N 3.613 118.148 114.554 -0.032 0.000 3.033 211 T HA 0.237 4.586 4.350 -0.000 0.000 0.248 211 T C 0.600 175.296 174.700 -0.007 0.000 1.040 211 T CA 0.270 62.359 62.100 -0.018 0.000 1.133 211 T CB 0.455 69.315 68.868 -0.013 0.000 0.895 211 T HN 0.821 nan 8.240 nan 0.000 0.465 212 G N -0.149 108.649 108.800 -0.005 0.000 2.601 212 G HA2 0.646 4.606 3.960 -0.000 0.000 0.291 212 G HA3 0.646 4.606 3.960 -0.000 0.000 0.291 212 G C -1.564 173.344 174.900 0.014 0.000 1.456 212 G CA -0.221 44.884 45.100 0.008 0.000 0.804 212 G HN 0.335 nan 8.290 nan 0.000 0.499 213 A N -0.723 122.108 122.820 0.019 0.000 2.284 213 A HA 1.083 5.403 4.320 -0.000 0.000 0.317 213 A C 0.262 177.868 177.584 0.037 0.000 1.120 213 A CA 0.103 52.154 52.037 0.023 0.000 0.900 213 A CB 1.454 20.461 19.000 0.012 0.000 1.319 213 A HN 2.454 nan 8.150 nan 0.000 0.494 214 A N -1.401 121.444 122.820 0.042 0.000 2.594 214 A HA 0.801 5.121 4.320 -0.000 0.000 0.291 214 A C 0.041 177.649 177.584 0.040 0.000 1.105 214 A CA -0.080 51.989 52.037 0.053 0.000 0.694 214 A CB 0.479 19.531 19.000 0.087 0.000 1.291 214 A HN 2.376 nan 8.150 nan 0.000 0.410 215 A N 0.731 123.574 122.820 0.039 0.000 2.366 215 A HA 0.647 4.967 4.320 -0.000 0.000 0.250 215 A C -2.372 175.226 177.584 0.024 0.000 1.099 215 A CA -0.996 51.056 52.037 0.024 0.000 0.794 215 A CB -0.922 18.092 19.000 0.023 0.000 1.056 215 A HN 0.543 nan 8.150 nan 0.000 0.499 216 P HA 0.410 nan 4.420 nan 0.000 0.266 216 P C 0.441 177.733 177.300 -0.014 0.000 1.195 216 P CA 1.268 64.358 63.100 -0.016 0.000 0.768 216 P CB 0.590 32.266 31.700 -0.040 0.000 0.838 217 G N 0.731 109.510 108.800 -0.036 0.000 2.345 217 G HA2 0.136 4.096 3.960 -0.000 0.000 0.285 217 G HA3 0.136 4.096 3.960 -0.000 0.000 0.285 217 G C -1.845 173.022 174.900 -0.055 0.000 1.297 217 G CA -1.033 44.024 45.100 -0.072 0.000 0.875 217 G HN 0.306 nan 8.290 nan 0.000 0.506 218 W N -0.373 120.968 121.300 0.069 0.000 2.190 218 W HA 0.511 5.170 4.660 -0.001 0.000 0.330 218 W C 0.668 177.358 176.519 0.286 0.000 1.299 218 W CA 0.019 57.438 57.345 0.123 0.000 1.215 218 W CB 1.247 30.664 29.460 -0.071 0.000 1.147 218 W HN 0.535 nan 8.180 nan 0.000 0.563 219 C N 6.437 126.099 119.300 0.603 0.000 2.369 219 C HA 0.568 5.028 4.460 -0.000 0.000 0.322 219 C C -0.568 174.623 174.990 0.335 0.000 1.258 219 C CA -1.155 58.125 59.018 0.437 0.000 1.487 219 C CB -0.522 27.406 27.740 0.313 0.000 2.165 219 C HN 0.556 nan 8.230 nan 0.000 0.483 220 L N 7.016 128.332 121.223 0.155 0.000 2.315 220 L HA 0.434 4.774 4.340 -0.000 0.000 0.283 220 L C 0.058 176.898 176.870 -0.051 0.000 1.089 220 L CA 0.356 54.984 54.840 -0.353 0.000 0.833 220 L CB 0.502 42.184 42.059 -0.629 0.000 1.170 220 L HN 0.891 nan 8.230 nan 0.000 0.442 221 C N 6.058 125.259 119.300 -0.166 0.000 2.176 221 C HA 0.524 4.984 4.460 -0.000 0.000 0.329 221 C C 0.063 175.021 174.990 -0.053 0.000 1.113 221 C CA -0.631 58.327 59.018 -0.101 0.000 1.562 221 C CB -0.977 26.630 27.740 -0.222 0.000 2.040 221 C HN 0.916 nan 8.230 nan 0.000 0.460 225 I N 9.225 129.818 120.570 0.039 0.000 2.371 225 I HA 0.335 4.505 4.170 -0.000 0.000 0.282 225 I C -1.741 174.395 176.117 0.032 0.000 1.031 225 I CA -1.839 59.484 61.300 0.039 0.000 1.180 225 I CB 0.808 38.833 38.000 0.041 0.000 1.336 225 I HN 0.458 nan 8.210 nan 0.000 0.467 226 P HA 0.034 nan 4.420 nan 0.000 0.230 226 P C 0.122 177.436 177.300 0.025 0.000 1.168 226 P CA 0.650 63.765 63.100 0.025 0.000 0.793 226 P CB 0.871 32.584 31.700 0.022 0.000 0.851 227 S N -2.284 113.434 115.700 0.030 0.000 2.595 227 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 227 S C -1.135 173.491 174.600 0.043 0.000 1.145 227 S CA -0.617 57.602 58.200 0.031 0.000 0.825 227 S CB 1.620 64.836 63.200 0.027 0.000 1.107 227 S HN 0.085 nan 8.310 nan 0.000 0.461 228 S N -0.081 115.645 115.700 0.045 0.000 2.537 228 S HA 0.868 5.338 4.470 -0.000 0.000 0.271 228 S C -1.411 173.225 174.600 0.060 0.000 1.148 228 S CA 0.066 58.301 58.200 0.060 0.000 0.868 228 S CB 1.082 64.310 63.200 0.047 0.000 1.115 228 S HN 2.349 nan 8.310 nan 0.000 0.461 229 A N 1.659 124.532 122.820 0.088 0.000 2.594 229 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 229 A C 0.283 177.948 177.584 0.135 0.000 1.056 229 A CA 0.048 52.136 52.037 0.084 0.000 0.693 229 A CB 0.494 19.535 19.000 0.069 0.000 1.278 229 A HN 1.863 nan 8.150 nan 0.000 0.408 230 S N -0.130 115.629 115.700 0.098 0.000 3.587 230 S HA -0.032 4.438 4.470 -0.000 0.000 0.337 230 S C 1.668 176.321 174.600 0.088 0.000 1.119 230 S CA 2.224 60.498 58.200 0.124 0.000 0.976 230 S CB -1.494 61.822 63.200 0.194 0.000 0.922 230 S HN 2.872 nan 8.310 nan 0.000 0.503 231 G N -1.386 107.382 108.800 -0.053 0.000 2.175 231 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 231 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 231 G C -0.150 174.374 174.900 -0.627 0.000 0.982 231 G CA 0.158 45.059 45.100 -0.332 0.000 0.641 231 G HN 0.708 nan 8.290 nan 0.000 0.527 232 F N 0.348 120.303 119.950 0.009 0.000 2.603 232 F HA 0.858 5.385 4.527 0.000 0.000 0.317 232 F C 0.389 176.196 175.800 0.011 0.000 1.066 232 F CA -0.380 57.626 58.000 0.010 0.000 0.941 232 F CB 2.179 41.184 39.000 0.009 0.000 1.291 232 F HN 0.408 nan 8.300 nan 0.000 0.472 233 A N 1.280 124.222 122.820 0.203 0.000 2.532 233 A HA 0.869 5.189 4.320 -0.000 0.000 0.290 233 A C -1.557 176.093 177.584 0.109 0.000 1.143 233 A CA -0.750 51.359 52.037 0.121 0.000 0.728 233 A CB 2.136 21.181 19.000 0.075 0.000 1.317 233 A HN 0.776 nan 8.150 nan 0.000 0.414 234 Q N -0.229 119.615 119.800 0.074 0.000 2.456 234 Q HA 0.765 5.105 4.340 -0.000 0.000 0.283 234 Q C -0.366 175.664 176.000 0.049 0.000 1.084 234 Q CA -0.827 55.010 55.803 0.057 0.000 0.801 234 Q CB 2.237 30.998 28.738 0.039 0.000 1.434 234 Q HN 1.340 nan 8.270 nan 0.000 0.419 235 G N 0.659 109.486 108.800 0.046 0.000 2.690 235 G HA2 0.566 4.526 3.960 -0.000 0.000 0.293 235 G HA3 0.566 4.526 3.960 -0.000 0.000 0.293 235 G C -1.753 173.168 174.900 0.036 0.000 1.399 235 G CA -0.550 44.577 45.100 0.045 0.000 0.890 235 G HN 0.418 nan 8.290 nan 0.000 0.485 236 Q N -0.986 118.835 119.800 0.034 0.000 2.397 236 Q HA 0.740 5.080 4.340 -0.000 0.000 0.275 236 Q C -1.008 175.010 176.000 0.030 0.000 1.090 236 Q CA -0.823 54.994 55.803 0.023 0.000 0.809 236 Q CB 3.218 31.963 28.738 0.013 0.000 1.362 236 Q HN 0.669 nan 8.270 nan 0.000 0.431 237 V N 0.714 120.637 119.914 0.016 0.000 2.888 237 V HA 0.768 4.888 4.120 -0.000 0.000 0.309 237 V C -1.497 174.570 176.094 -0.046 0.000 1.114 237 V CA -0.246 62.063 62.300 0.014 0.000 0.940 237 V CB 2.611 34.462 31.823 0.047 0.000 1.021 237 V HN 0.821 nan 8.190 nan 0.000 0.426 238 T N 7.531 122.036 114.554 -0.080 0.000 2.807 238 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 238 T C -0.688 173.824 174.700 -0.313 0.000 0.993 238 T CA -0.303 61.624 62.100 -0.288 0.000 0.970 238 T CB 1.208 69.816 68.868 -0.435 0.000 0.950 238 T HN 0.551 nan 8.240 nan 0.000 0.441 239 L N 3.493 124.503 121.223 -0.355 0.000 2.280 239 L HA 0.566 4.906 4.340 -0.000 0.000 0.287 239 L C -0.992 175.734 176.870 -0.240 0.000 1.023 239 L CA -0.791 53.948 54.840 -0.167 0.000 0.819 239 L CB 0.788 42.842 42.059 -0.008 0.000 1.212 239 L HN 0.617 nan 8.230 nan 0.000 0.420 240 W N 1.350 122.668 121.300 0.031 0.000 2.647 240 W HA 0.409 5.068 4.660 -0.000 0.000 0.353 240 W C 0.335 176.933 176.519 0.131 0.000 1.080 240 W CA -0.677 56.703 57.345 0.058 0.000 1.208 240 W CB 0.799 30.269 29.460 0.017 0.000 1.396 240 W HN 0.464 nan 8.180 nan 0.000 0.573 241 D N -0.328 120.314 120.400 0.404 0.000 2.440 241 D HA -0.020 4.620 4.640 -0.000 0.000 0.269 241 D C 0.818 177.380 176.300 0.436 0.000 1.249 241 D CA -0.273 53.942 54.000 0.358 0.000 1.055 241 D CB 0.162 41.110 40.800 0.248 0.000 1.104 241 D HN 0.584 nan 8.370 nan 0.000 0.561 242 Q N -1.329 118.695 119.800 0.374 0.000 2.472 242 Q HA 0.016 4.356 4.340 -0.000 0.000 0.208 242 Q C 0.474 176.613 176.000 0.232 0.000 0.958 242 Q CA 0.406 56.417 55.803 0.346 0.000 0.932 242 Q CB 0.115 28.937 28.738 0.140 0.000 1.007 242 Q HN 0.392 nan 8.270 nan 0.000 0.508 243 S N -1.246 114.570 115.700 0.193 0.000 2.593 243 S HA 0.282 4.752 4.470 -0.000 0.000 0.236 243 S C 0.650 175.315 174.600 0.109 0.000 0.991 243 S CA 0.330 58.603 58.200 0.121 0.000 0.963 243 S CB 1.253 64.511 63.200 0.096 0.000 0.865 243 S HN 0.593 nan 8.310 nan 0.000 0.488 244 G N 2.388 111.271 108.800 0.139 0.000 2.141 244 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.231 244 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.231 244 G C 0.035 175.100 174.900 0.276 0.000 0.984 244 G CA -0.179 44.970 45.100 0.082 0.000 0.660 244 G HN 0.511 nan 8.290 nan 0.000 0.525 245 R N 0.158 120.845 120.500 0.311 0.000 2.297 245 R HA 0.633 4.973 4.340 -0.000 0.000 0.308 245 R C 0.341 176.866 176.300 0.376 0.000 1.029 245 R CA -0.812 55.466 56.100 0.297 0.000 0.929 245 R CB 0.497 30.901 30.300 0.175 0.000 1.046 245 R HN 0.291 nan 8.270 nan 0.000 0.461 246 L N 6.495 127.874 121.223 0.261 0.000 2.313 246 L HA 0.147 4.487 4.340 -0.000 0.000 0.282 246 L C 0.272 177.102 176.870 -0.066 0.000 1.092 246 L CA -0.175 54.609 54.840 -0.092 0.000 0.831 246 L CB 0.678 42.546 42.059 -0.319 0.000 1.159 246 L HN 0.863 nan 8.230 nan 0.000 0.442 247 L N 5.566 126.735 121.223 -0.089 0.000 2.200 247 L HA 0.450 4.790 4.340 -0.000 0.000 0.200 247 L C 0.730 177.556 176.870 -0.073 0.000 1.072 247 L CA 0.499 55.318 54.840 -0.034 0.000 0.787 247 L CB -0.234 41.840 42.059 0.025 0.000 0.957 247 L HN 0.738 nan 8.230 nan 0.000 0.459 248 A N -0.579 122.162 122.820 -0.131 0.000 2.599 248 A HA 0.644 4.964 4.320 -0.000 0.000 0.290 248 A C -0.737 176.745 177.584 -0.171 0.000 1.101 248 A CA -0.151 51.816 52.037 -0.116 0.000 0.674 248 A CB 1.317 20.282 19.000 -0.058 0.000 1.277 248 A HN 0.090 nan 8.150 nan 0.000 0.419 249 T N -1.818 112.660 114.554 -0.126 0.000 2.916 249 T HA 0.915 5.265 4.350 -0.000 0.000 0.292 249 T C 0.024 174.684 174.700 -0.067 0.000 1.064 249 T CA -0.188 61.841 62.100 -0.117 0.000 1.011 249 T CB 1.828 70.627 68.868 -0.115 0.000 1.152 249 T HN 2.206 nan 8.240 nan 0.000 0.510 250 G N -0.809 107.963 108.800 -0.046 0.000 2.649 250 G HA2 0.867 4.827 3.960 -0.000 0.000 0.290 250 G HA3 0.867 4.827 3.960 -0.000 0.000 0.290 250 G C -1.572 173.321 174.900 -0.013 0.000 1.426 250 G CA -0.493 44.592 45.100 -0.026 0.000 0.794 250 G HN 1.363 nan 8.290 nan 0.000 0.483 251 A N -0.357 122.457 122.820 -0.010 0.000 2.601 251 A HA 0.918 5.238 4.320 -0.000 0.000 0.291 251 A C -1.017 176.569 177.584 0.003 0.000 1.075 251 A CA -0.119 51.919 52.037 0.001 0.000 0.671 251 A CB 1.844 20.837 19.000 -0.011 0.000 1.277 251 A HN 1.690 nan 8.150 nan 0.000 0.417 252 Q N -0.303 119.509 119.800 0.020 0.000 2.633 252 Q HA 0.731 5.071 4.340 -0.000 0.000 0.289 252 Q C -1.357 174.668 176.000 0.042 0.000 0.940 252 Q CA -0.825 54.996 55.803 0.030 0.000 0.785 252 Q CB 1.302 30.076 28.738 0.061 0.000 1.467 252 Q HN 0.612 nan 8.270 nan 0.000 0.401 253 S N 0.522 116.251 115.700 0.049 0.000 2.578 253 S HA 0.810 5.280 4.470 -0.000 0.000 0.301 253 S C -0.980 173.687 174.600 0.113 0.000 1.091 253 S CA -0.593 57.650 58.200 0.073 0.000 1.032 253 S CB 0.836 64.061 63.200 0.042 0.000 1.064 253 S HN 0.411 nan 8.310 nan 0.000 0.508 254 L N 1.816 123.129 121.223 0.150 0.000 2.388 254 L HA 0.605 4.945 4.340 -0.000 0.000 0.264 254 L C -0.996 175.985 176.870 0.186 0.000 0.998 254 L CA -0.627 54.298 54.840 0.141 0.000 0.817 254 L CB 1.412 43.524 42.059 0.088 0.000 1.338 254 L HN 0.506 nan 8.230 nan 0.000 0.414 255 L N 2.795 124.085 121.223 0.112 0.000 2.276 255 L HA 0.491 4.831 4.340 -0.000 0.000 0.286 255 L C -0.676 176.134 176.870 -0.101 0.000 1.061 255 L CA 0.075 54.883 54.840 -0.053 0.000 0.807 255 L CB 0.602 42.649 42.059 -0.019 0.000 1.177 255 L HN 0.428 nan 8.230 nan 0.000 0.429 256 L N 5.210 126.317 121.223 -0.195 0.000 2.397 256 L HA 0.338 4.678 4.340 -0.000 0.000 0.271 256 L C 0.782 177.587 176.870 -0.110 0.000 1.148 256 L CA -0.313 54.454 54.840 -0.122 0.000 0.825 256 L CB 0.365 42.349 42.059 -0.126 0.000 1.117 256 L HN 0.715 nan 8.230 nan 0.000 0.456 257 K N 2.344 122.705 120.400 -0.065 0.000 2.297 257 K HA 0.665 4.985 4.320 -0.000 0.000 0.286 257 K C 0.161 176.728 176.600 -0.055 0.000 1.053 257 K CA 0.275 56.528 56.287 -0.056 0.000 0.940 257 K CB 1.018 33.493 32.500 -0.040 0.000 1.019 257 K HN 0.925 nan 8.250 nan 0.000 0.475 258 G N 0.000 108.767 108.800 -0.056 0.000 5.446 258 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 258 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 258 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 258 G HN 0.000 nan 8.290 nan 0.000 0.925