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 3giw_1_A DATA FIRST_RESID 15 DATA SEQUENCE RIDTESAHSA RIYDYIIGGK DYYPADKEAG DAXSREWPAL PVHXRANRDW DATA SEQUENCE XNRAVAHLAK EAGIRQFLDI GTGIPTSPNL HEIAQSVAPE SRVVYVDNDP DATA SEQUENCE IVLTLSQGLL ASTPEGRTAY VEADXLDPAS ILDAPELRDT LDLTRPVALT DATA SEQUENCE VIAIVHFVLD EDDAVGIVRR LLEPLPSGSY LAXSIGTAEF APQEVGRVAR DATA SEQUENCE EYAARNXPXR LRTHAEAEEF FEGLELVEPG IVQVHKWHPD AATADGIRDE DATA SEQUENCE DIAXYGAVAR KP 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 15 R HA 0.000 nan 4.340 nan 0.000 0.208 15 R C 0.000 176.286 176.300 -0.023 0.000 0.893 15 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 15 R CB 0.000 30.298 30.300 -0.003 0.000 0.687 16 I N 2.331 122.866 120.570 -0.058 0.000 2.493 16 I HA -0.108 4.062 4.170 0.000 0.000 0.254 16 I C 0.277 176.311 176.117 -0.139 0.000 1.160 16 I CA 1.294 62.529 61.300 -0.108 0.000 1.445 16 I CB -0.946 36.977 38.000 -0.130 0.000 1.086 16 I HN 0.284 nan 8.210 nan 0.000 0.433 17 D N 1.887 122.239 120.400 -0.080 0.000 3.038 17 D HA -0.188 4.452 4.640 0.000 0.000 0.229 17 D C 1.241 177.507 176.300 -0.057 0.000 1.182 17 D CA 0.925 54.917 54.000 -0.013 0.000 0.852 17 D CB -0.385 40.497 40.800 0.136 0.000 0.932 17 D HN 0.497 nan 8.370 nan 0.000 0.406 18 T N -1.504 112.896 114.554 -0.257 0.000 3.072 18 T HA -0.066 4.285 4.350 0.000 0.000 0.266 18 T C 1.251 175.855 174.700 -0.161 0.000 1.127 18 T CA 0.672 62.494 62.100 -0.462 0.000 1.107 18 T CB 0.193 68.536 68.868 -0.875 0.000 0.910 18 T HN 0.209 nan 8.240 nan 0.000 0.513 19 E N 1.233 121.395 120.200 -0.064 0.000 2.474 19 E HA 0.254 4.605 4.350 0.000 0.000 0.194 19 E C 0.229 176.844 176.600 0.024 0.000 1.041 19 E CA 0.072 56.462 56.400 -0.016 0.000 0.874 19 E CB 0.453 30.139 29.700 -0.024 0.000 0.914 19 E HN 0.480 nan 8.360 nan 0.000 0.498 20 S N 0.302 116.040 115.700 0.063 0.000 2.568 20 S HA 0.656 5.126 4.470 0.000 0.000 0.302 20 S C -0.205 174.459 174.600 0.107 0.000 1.082 20 S CA -0.754 57.469 58.200 0.038 0.000 1.009 20 S CB 2.176 65.355 63.200 -0.036 0.000 1.069 20 S HN 0.211 nan 8.310 nan 0.000 0.500 21 A N 1.800 124.644 122.820 0.042 0.000 2.425 21 A HA 0.533 4.853 4.320 0.000 0.000 0.249 21 A C -0.710 176.883 177.584 0.016 0.000 1.084 21 A CA 0.095 52.188 52.037 0.092 0.000 0.781 21 A CB -0.175 18.839 19.000 0.025 0.000 1.019 21 A HN 0.857 nan 8.150 nan 0.000 0.490 22 H N 0.439 119.552 119.070 0.072 0.000 2.637 22 H HA 0.357 4.913 4.556 0.000 0.000 0.363 22 H C 1.309 176.682 175.328 0.076 0.000 1.131 22 H CA 0.097 56.177 56.048 0.052 0.000 1.183 22 H CB 1.906 31.702 29.762 0.058 0.000 1.637 22 H HN 0.698 nan 8.280 nan 0.000 0.531 23 S N 1.470 117.230 115.700 0.101 0.000 2.370 23 S HA -0.232 4.238 4.470 0.000 0.000 0.226 23 S C 2.185 176.926 174.600 0.236 0.000 1.033 23 S CA 1.040 59.317 58.200 0.128 0.000 1.011 23 S CB -0.406 62.557 63.200 -0.395 0.000 0.852 23 S HN 0.660 nan 8.310 nan 0.000 0.457 24 A N 2.320 125.236 122.820 0.160 0.000 1.933 24 A HA -0.004 4.316 4.320 0.000 0.000 0.218 24 A C 2.398 180.112 177.584 0.216 0.000 1.175 24 A CA 1.268 53.404 52.037 0.166 0.000 0.628 24 A CB -0.522 18.529 19.000 0.085 0.000 0.814 24 A HN 0.619 nan 8.150 nan 0.000 0.444 25 R N -0.596 120.035 120.500 0.218 0.000 2.093 25 R HA 0.104 4.444 4.340 0.000 0.000 0.224 25 R C 1.920 178.382 176.300 0.270 0.000 1.101 25 R CA 1.259 57.499 56.100 0.233 0.000 0.979 25 R CB -0.430 30.005 30.300 0.226 0.000 0.877 25 R HN 0.527 nan 8.270 nan 0.000 0.441 26 I N -0.103 120.626 120.570 0.265 0.000 2.163 26 I HA -0.327 3.843 4.170 0.000 0.000 0.243 26 I C 2.222 178.515 176.117 0.292 0.000 1.085 26 I CA 1.339 62.790 61.300 0.251 0.000 1.347 26 I CB -0.318 37.818 38.000 0.227 0.000 1.044 26 I HN 0.111 nan 8.210 nan 0.000 0.408 27 Y N 1.632 122.061 120.300 0.215 0.000 2.128 27 Y HA -0.354 4.196 4.550 0.000 0.000 0.284 27 Y C 2.250 178.215 175.900 0.108 0.000 1.154 27 Y CA 2.158 60.365 58.100 0.179 0.000 1.149 27 Y CB -0.481 38.094 38.460 0.191 0.000 0.976 27 Y HN 0.218 nan 8.280 nan 0.000 0.505 28 D N -1.497 119.129 120.400 0.377 0.000 2.117 28 D HA -0.266 4.374 4.640 0.000 0.000 0.197 28 D C 2.091 178.483 176.300 0.154 0.000 0.987 28 D CA 1.511 55.662 54.000 0.253 0.000 0.829 28 D CB -0.558 40.368 40.800 0.210 0.000 0.961 28 D HN 0.435 nan 8.370 nan 0.000 0.460 29 Y N 0.949 121.226 120.300 -0.038 0.000 2.081 29 Y HA -0.210 4.340 4.550 0.000 0.000 0.280 29 Y C 1.979 177.743 175.900 -0.226 0.000 1.163 29 Y CA 1.512 59.381 58.100 -0.386 0.000 1.135 29 Y CB -0.431 37.632 38.460 -0.661 0.000 0.970 29 Y HN 0.018 nan 8.280 nan 0.000 0.498 30 I N 1.179 121.557 120.570 -0.320 0.000 2.286 30 I HA -0.239 3.931 4.170 0.000 0.000 0.248 30 I C 2.356 178.297 176.117 -0.293 0.000 1.115 30 I CA 1.808 62.868 61.300 -0.400 0.000 1.392 30 I CB -1.344 36.531 38.000 -0.208 0.000 1.065 30 I HN 0.537 nan 8.210 nan 0.000 0.418 31 I N -1.724 118.761 120.570 -0.142 0.000 3.684 31 I HA 0.342 4.512 4.170 0.000 0.000 0.304 31 I C 1.258 177.337 176.117 -0.062 0.000 1.278 31 I CA 0.713 61.974 61.300 -0.066 0.000 1.272 31 I CB -0.220 37.824 38.000 0.074 0.000 1.029 31 I HN 0.268 nan 8.210 nan 0.000 0.458 32 G N 0.827 109.559 108.800 -0.114 0.000 2.148 32 G HA2 -0.170 3.790 3.960 0.000 0.000 0.203 32 G HA3 -0.170 3.790 3.960 0.000 0.000 0.203 32 G C 0.491 175.396 174.900 0.009 0.000 0.993 32 G CA -0.288 44.764 45.100 -0.079 0.000 0.661 32 G HN 0.824 nan 8.290 nan 0.000 0.518 33 G N -0.158 108.676 108.800 0.057 0.000 2.563 33 G HA2 0.611 4.571 3.960 0.000 0.000 0.283 33 G HA3 0.611 4.571 3.960 0.000 0.000 0.283 33 G C 0.776 175.813 174.900 0.229 0.000 1.309 33 G CA 0.384 45.551 45.100 0.111 0.000 1.022 33 G HN 0.918 nan 8.290 nan 0.000 0.501 34 K N -1.624 118.875 120.400 0.165 0.000 2.374 34 K HA 0.245 4.565 4.320 0.000 0.000 0.202 34 K C 0.042 176.580 176.600 -0.104 0.000 1.040 34 K CA 0.071 56.413 56.287 0.092 0.000 1.085 34 K CB 0.791 33.277 32.500 -0.024 0.000 0.873 34 K HN 0.173 nan 8.250 nan 0.000 0.539 35 D N 1.977 122.391 120.400 0.024 0.000 2.741 35 D HA 0.112 4.752 4.640 0.000 0.000 0.233 35 D C -0.844 175.413 176.300 -0.072 0.000 1.160 35 D CA 0.044 53.981 54.000 -0.106 0.000 1.003 35 D CB -0.051 40.719 40.800 -0.049 0.000 1.064 35 D HN 0.361 nan 8.370 nan 0.000 0.503 36 Y N -1.583 118.522 120.300 -0.324 0.000 2.670 36 Y HA 0.571 5.121 4.550 0.000 0.000 0.334 36 Y C -1.814 173.741 175.900 -0.575 0.000 1.185 36 Y CA -1.399 56.530 58.100 -0.285 0.000 1.053 36 Y CB 0.729 39.166 38.460 -0.038 0.000 1.298 36 Y HN -0.156 nan 8.280 nan 0.000 0.459 37 Y N 0.294 120.655 120.300 0.103 0.000 2.633 37 Y HA 0.523 5.073 4.550 0.000 0.000 0.339 37 Y C -1.853 174.103 175.900 0.095 0.000 1.045 37 Y CA -2.582 55.524 58.100 0.010 0.000 1.098 37 Y CB 1.619 40.079 38.460 -0.000 0.000 1.296 37 Y HN 0.360 nan 8.280 nan 0.000 0.494 38 P HA -0.265 nan 4.420 nan 0.000 0.217 38 P C 1.115 178.449 177.300 0.058 0.000 1.151 38 P CA 2.788 65.949 63.100 0.101 0.000 0.849 38 P CB 0.026 31.770 31.700 0.073 0.000 0.787 39 A N -0.177 122.698 122.820 0.091 0.000 1.940 39 A HA -0.233 4.088 4.320 0.000 0.000 0.219 39 A C 1.987 179.590 177.584 0.031 0.000 1.176 39 A CA 2.038 54.108 52.037 0.055 0.000 0.631 39 A CB -1.241 17.804 19.000 0.075 0.000 0.814 39 A HN 0.150 nan 8.150 nan 0.000 0.446 40 D N -0.528 119.916 120.400 0.074 0.000 2.123 40 D HA -0.132 4.508 4.640 0.000 0.000 0.200 40 D C 1.911 178.070 176.300 -0.236 0.000 0.976 40 D CA 1.499 55.509 54.000 0.017 0.000 0.831 40 D CB -0.256 40.632 40.800 0.146 0.000 0.974 40 D HN 0.616 nan 8.370 nan 0.000 0.469 41 K N 1.085 121.225 120.400 -0.434 0.000 2.057 41 K HA -0.183 4.138 4.320 0.000 0.000 0.207 41 K C 2.034 178.391 176.600 -0.405 0.000 1.049 41 K CA 1.133 56.861 56.287 -0.932 0.000 0.931 41 K CB 0.139 32.222 32.500 -0.696 0.000 0.714 41 K HN -0.110 nan 8.250 nan 0.000 0.440 42 E N 0.669 120.755 120.200 -0.189 0.000 2.077 42 E HA -0.186 4.164 4.350 0.000 0.000 0.193 42 E C 1.779 178.332 176.600 -0.078 0.000 0.989 42 E CA 1.332 57.675 56.400 -0.095 0.000 0.800 42 E CB -0.162 29.508 29.700 -0.050 0.000 0.746 42 E HN 0.415 nan 8.360 nan 0.000 0.452 43 A N 0.879 123.647 122.820 -0.088 0.000 1.858 43 A HA -0.114 4.206 4.320 0.000 0.000 0.216 43 A C 2.542 180.081 177.584 -0.075 0.000 1.190 43 A CA 2.166 54.147 52.037 -0.093 0.000 0.617 43 A CB -1.335 17.599 19.000 -0.109 0.000 0.827 43 A HN 0.423 nan 8.150 nan 0.000 0.443 44 G N -0.387 108.390 108.800 -0.038 0.000 2.440 44 G HA2 -0.248 3.713 3.960 0.000 0.000 0.218 44 G HA3 -0.248 3.713 3.960 0.000 0.000 0.218 44 G C 1.141 176.104 174.900 0.105 0.000 1.154 44 G CA 1.296 46.450 45.100 0.091 0.000 0.767 44 G HN 0.460 nan 8.290 nan 0.000 0.552 45 D N 1.169 121.621 120.400 0.086 0.000 2.117 45 D HA 0.095 4.735 4.640 0.000 0.000 0.198 45 D C 2.107 178.426 176.300 0.031 0.000 0.982 45 D CA 0.918 54.961 54.000 0.072 0.000 0.828 45 D CB -0.438 40.391 40.800 0.049 0.000 0.967 45 D HN 0.366 nan 8.370 nan 0.000 0.464 49 R N 1.765 122.290 120.500 0.042 0.000 2.096 49 R HA 0.054 4.394 4.340 0.000 0.000 0.235 49 R C 1.626 177.964 176.300 0.063 0.000 1.127 49 R CA 1.340 57.463 56.100 0.039 0.000 0.968 49 R CB -0.094 30.224 30.300 0.029 0.000 0.861 49 R HN 0.308 nan 8.270 nan 0.000 0.440 50 E N -0.984 119.268 120.200 0.087 0.000 2.107 50 E HA -0.136 4.215 4.350 0.000 0.000 0.191 50 E C -0.061 176.663 176.600 0.206 0.000 0.982 50 E CA 0.706 57.173 56.400 0.111 0.000 0.809 50 E CB 0.131 29.886 29.700 0.092 0.000 0.756 50 E HN 0.230 nan 8.360 nan 0.000 0.459 51 W N 1.412 122.698 121.300 -0.022 0.000 2.538 51 W HA 0.338 4.999 4.660 0.001 0.000 0.291 51 W C -2.438 174.060 176.519 -0.034 0.000 1.020 51 W CA -2.892 54.433 57.345 -0.034 0.000 1.375 51 W CB 1.177 30.606 29.460 -0.051 0.000 1.247 51 W HN -0.124 nan 8.180 nan 0.000 0.377 52 P HA -0.175 nan 4.420 nan 0.000 0.218 52 P C 1.422 178.492 177.300 -0.383 0.000 1.146 52 P CA 2.368 65.367 63.100 -0.170 0.000 0.813 52 P CB 0.164 31.812 31.700 -0.086 0.000 0.778 53 A N -1.184 121.195 122.820 -0.735 0.000 2.239 53 A HA -0.067 4.253 4.320 0.000 0.000 0.209 53 A C 1.898 178.826 177.584 -1.094 0.000 1.171 53 A CA 0.371 51.866 52.037 -0.902 0.000 0.768 53 A CB -1.417 17.039 19.000 -0.906 0.000 0.790 53 A HN 0.120 nan 8.150 nan 0.000 0.478 54 L N 0.852 121.459 121.223 -1.027 0.000 2.021 54 L HA -0.142 4.198 4.340 0.000 0.000 0.215 54 L C -0.713 175.951 176.870 -0.342 0.000 1.074 54 L CA 2.815 57.289 54.840 -0.611 0.000 0.760 54 L CB -1.076 40.886 42.059 -0.162 0.000 0.889 54 L HN 0.217 nan 8.230 nan 0.000 0.433 55 P HA -0.093 nan 4.420 nan 0.000 0.218 55 P C 2.092 179.261 177.300 -0.217 0.000 1.149 55 P CA 1.152 64.110 63.100 -0.237 0.000 0.817 55 P CB -0.037 31.533 31.700 -0.216 0.000 0.785 56 V N -0.762 119.002 119.914 -0.249 0.000 2.295 56 V HA -0.202 3.918 4.120 0.000 0.000 0.246 56 V C 1.898 177.894 176.094 -0.162 0.000 1.049 56 V CA 1.362 63.543 62.300 -0.198 0.000 1.024 56 V CB -1.445 30.243 31.823 -0.225 0.000 0.648 56 V HN 0.246 nan 8.190 nan 0.000 0.447 60 A N 1.561 124.369 122.820 -0.020 0.000 1.930 60 A HA -0.192 4.128 4.320 0.000 0.000 0.217 60 A C 1.676 179.316 177.584 0.093 0.000 1.175 60 A CA 2.049 54.106 52.037 0.034 0.000 0.627 60 A CB -0.670 18.326 19.000 -0.008 0.000 0.815 60 A HN 0.364 nan 8.150 nan 0.000 0.443 61 N N -0.688 118.030 118.700 0.030 0.000 2.120 61 N HA -0.207 4.533 4.740 0.000 0.000 0.188 61 N C 1.874 177.526 175.510 0.237 0.000 1.024 61 N CA 1.683 54.803 53.050 0.117 0.000 0.852 61 N CB -0.181 38.342 38.487 0.061 0.000 1.003 61 N HN 0.339 nan 8.380 nan 0.000 0.424 62 R N 0.788 121.416 120.500 0.214 0.000 2.081 62 R HA -0.050 4.290 4.340 0.000 0.000 0.235 62 R C 1.199 177.574 176.300 0.125 0.000 1.131 62 R CA 1.729 57.926 56.100 0.163 0.000 0.960 62 R CB -0.618 29.778 30.300 0.160 0.000 0.856 62 R HN 0.311 nan 8.270 nan 0.000 0.436 63 D N -0.702 119.775 120.400 0.127 0.000 2.144 63 D HA -0.165 4.476 4.640 0.000 0.000 0.199 63 D C 0.563 176.937 176.300 0.122 0.000 0.984 63 D CA 0.810 54.873 54.000 0.106 0.000 0.834 63 D CB -0.382 40.484 40.800 0.110 0.000 0.955 63 D HN 0.223 nan 8.370 nan 0.000 0.465 67 R N 1.292 121.696 120.500 -0.160 0.000 2.092 67 R HA 0.214 4.554 4.340 0.000 0.000 0.231 67 R C 1.954 178.174 176.300 -0.134 0.000 1.119 67 R CA 1.493 57.553 56.100 -0.067 0.000 0.970 67 R CB -0.170 30.173 30.300 0.072 0.000 0.864 67 R HN 0.215 nan 8.270 nan 0.000 0.440 68 A N 0.855 123.315 122.820 -0.599 0.000 1.898 68 A HA -0.095 4.225 4.320 0.000 0.000 0.216 68 A C 2.361 179.774 177.584 -0.285 0.000 1.181 68 A CA 1.266 52.852 52.037 -0.752 0.000 0.620 68 A CB -0.476 17.559 19.000 -1.608 0.000 0.819 68 A HN 0.097 nan 8.150 nan 0.000 0.442 69 V N -0.140 119.618 119.914 -0.261 0.000 2.358 69 V HA -0.207 3.913 4.120 0.000 0.000 0.246 69 V C 3.045 179.100 176.094 -0.065 0.000 1.047 69 V CA 1.783 64.002 62.300 -0.134 0.000 1.035 69 V CB -1.197 30.482 31.823 -0.240 0.000 0.658 69 V HN 0.609 nan 8.190 nan 0.000 0.452 70 A N -0.322 122.459 122.820 -0.066 0.000 1.908 70 A HA -0.323 3.997 4.320 0.000 0.000 0.218 70 A C 2.095 179.696 177.584 0.029 0.000 1.181 70 A CA 2.427 54.453 52.037 -0.019 0.000 0.627 70 A CB -0.893 18.101 19.000 -0.010 0.000 0.818 70 A HN 0.749 nan 8.150 nan 0.000 0.445 71 H N -0.209 118.853 119.070 -0.013 0.000 2.290 71 H HA -0.078 4.478 4.556 0.000 0.000 0.298 71 H C 1.789 177.095 175.328 -0.037 0.000 1.087 71 H CA 2.130 58.182 56.048 0.006 0.000 1.291 71 H CB -0.286 29.518 29.762 0.071 0.000 1.369 71 H HN 0.361 nan 8.280 nan 0.000 0.492 72 L N -0.374 120.864 121.223 0.025 0.000 2.042 72 L HA -0.190 4.150 4.340 0.000 0.000 0.210 72 L C 2.828 179.667 176.870 -0.052 0.000 1.076 72 L CA 1.165 55.949 54.840 -0.094 0.000 0.749 72 L CB -0.577 41.500 42.059 0.030 0.000 0.893 72 L HN 0.482 nan 8.230 nan 0.000 0.432 73 A N -0.435 122.434 122.820 0.081 0.000 1.872 73 A HA -0.145 4.175 4.320 0.000 0.000 0.214 73 A C 2.489 180.065 177.584 -0.013 0.000 1.187 73 A CA 1.613 53.710 52.037 0.099 0.000 0.614 73 A CB -0.271 18.789 19.000 0.101 0.000 0.826 73 A HN 0.224 nan 8.150 nan 0.000 0.442 74 K N -0.531 119.834 120.400 -0.057 0.000 2.029 74 K HA 0.035 4.355 4.320 0.000 0.000 0.205 74 K C 2.081 178.610 176.600 -0.118 0.000 1.042 74 K CA 1.542 57.788 56.287 -0.069 0.000 0.949 74 K CB -0.620 31.848 32.500 -0.052 0.000 0.740 74 K HN 0.663 nan 8.250 nan 0.000 0.442 75 E N 0.487 120.544 120.200 -0.238 0.000 2.051 75 E HA 0.126 4.476 4.350 0.000 0.000 0.189 75 E C 1.930 178.387 176.600 -0.237 0.000 0.979 75 E CA 1.207 57.436 56.400 -0.286 0.000 0.803 75 E CB -0.212 29.164 29.700 -0.539 0.000 0.761 75 E HN 0.408 nan 8.360 nan 0.000 0.451 76 A N -0.315 122.321 122.820 -0.307 0.000 2.178 76 A HA 0.346 4.666 4.320 0.000 0.000 0.211 76 A C 1.746 179.277 177.584 -0.089 0.000 1.157 76 A CA 0.804 52.729 52.037 -0.187 0.000 0.780 76 A CB -0.439 18.313 19.000 -0.414 0.000 0.828 76 A HN 0.301 nan 8.150 nan 0.000 0.476 77 G N -0.631 108.117 108.800 -0.086 0.000 2.153 77 G HA2 -0.201 3.759 3.960 0.000 0.000 0.252 77 G HA3 -0.201 3.759 3.960 0.000 0.000 0.252 77 G C 0.047 174.925 174.900 -0.037 0.000 0.994 77 G CA 0.217 45.295 45.100 -0.037 0.000 0.698 77 G HN 0.321 nan 8.290 nan 0.000 0.521 78 I N 0.328 120.850 120.570 -0.082 0.000 2.496 78 I HA 0.277 4.447 4.170 0.000 0.000 0.285 78 I C 1.240 177.304 176.117 -0.089 0.000 1.080 78 I CA 0.085 61.289 61.300 -0.160 0.000 1.404 78 I CB 1.112 38.888 38.000 -0.373 0.000 1.403 78 I HN 0.077 nan 8.210 nan 0.000 0.539 79 R N 4.651 125.091 120.500 -0.099 0.000 2.535 79 R HA 0.282 4.622 4.340 0.000 0.000 0.323 79 R C -0.330 175.990 176.300 0.033 0.000 0.979 79 R CA -0.044 56.081 56.100 0.042 0.000 1.120 79 R CB 0.808 31.127 30.300 0.032 0.000 1.306 79 R HN 0.639 nan 8.270 nan 0.000 0.540 80 Q N 0.111 119.787 119.800 -0.206 0.000 2.289 80 Q HA 0.487 4.827 4.340 0.000 0.000 0.270 80 Q C -1.445 174.292 176.000 -0.438 0.000 1.038 80 Q CA -0.512 55.211 55.803 -0.133 0.000 0.812 80 Q CB 2.558 31.234 28.738 -0.104 0.000 1.300 80 Q HN -0.128 nan 8.270 nan 0.000 0.427 81 F N 1.488 121.404 119.950 -0.056 0.000 2.569 81 F HA 0.497 5.024 4.527 0.000 0.000 0.312 81 F C -0.829 174.916 175.800 -0.093 0.000 1.109 81 F CA -0.946 57.013 58.000 -0.069 0.000 0.919 81 F CB 1.567 40.507 39.000 -0.100 0.000 1.211 81 F HN 0.320 nan 8.300 nan 0.000 0.446 82 L N 3.214 124.487 121.223 0.082 0.000 2.345 82 L HA 0.520 4.860 4.340 0.000 0.000 0.274 82 L C -1.206 175.701 176.870 0.062 0.000 0.999 82 L CA -0.345 54.517 54.840 0.036 0.000 0.849 82 L CB 0.942 43.011 42.059 0.016 0.000 1.220 82 L HN 0.538 nan 8.230 nan 0.000 0.422 83 D N 5.093 125.521 120.400 0.048 0.000 2.392 83 D HA 0.382 5.022 4.640 0.000 0.000 0.228 83 D C -0.796 175.575 176.300 0.118 0.000 1.074 83 D CA -0.276 53.783 54.000 0.099 0.000 0.838 83 D CB 0.827 41.700 40.800 0.123 0.000 1.067 83 D HN 0.317 nan 8.370 nan 0.000 0.511 84 I N 3.444 124.073 120.570 0.099 0.000 2.312 84 I HA 0.415 4.586 4.170 0.000 0.000 0.290 84 I C 1.180 177.353 176.117 0.093 0.000 1.008 84 I CA -0.473 60.876 61.300 0.082 0.000 1.226 84 I CB 0.547 38.581 38.000 0.057 0.000 1.371 84 I HN 0.766 nan 8.210 nan 0.000 0.468 85 G N 4.182 113.043 108.800 0.101 0.000 2.370 85 G HA2 -0.234 3.726 3.960 0.000 0.000 0.268 85 G HA3 -0.234 3.726 3.960 0.000 0.000 0.268 85 G C 0.705 175.668 174.900 0.106 0.000 1.122 85 G CA 0.269 45.428 45.100 0.097 0.000 0.963 85 G HN 0.581 nan 8.290 nan 0.000 0.500 86 T N -0.099 114.545 114.554 0.149 0.000 2.788 86 T HA 0.297 4.648 4.350 0.000 0.000 0.268 86 T C 2.252 176.976 174.700 0.040 0.000 1.044 86 T CA 2.293 64.483 62.100 0.150 0.000 1.139 86 T CB -0.455 68.551 68.868 0.231 0.000 0.867 86 T HN 2.389 nan 8.240 nan 0.000 0.454 87 G N 0.796 109.614 108.800 0.030 0.000 2.693 87 G HA2 -0.222 3.738 3.960 0.000 0.000 0.226 87 G HA3 -0.222 3.738 3.960 0.000 0.000 0.226 87 G C -0.341 174.529 174.900 -0.051 0.000 1.354 87 G CA -0.560 44.529 45.100 -0.019 0.000 0.873 87 G HN 0.500 nan 8.290 nan 0.000 0.562 88 I N 2.684 123.224 120.570 -0.049 0.000 2.556 88 I HA 0.239 4.409 4.170 0.000 0.000 0.284 88 I C -1.572 174.494 176.117 -0.085 0.000 1.114 88 I CA -1.376 59.889 61.300 -0.059 0.000 1.418 88 I CB 1.105 39.100 38.000 -0.008 0.000 1.394 88 I HN 0.226 nan 8.210 nan 0.000 0.552 89 P HA 0.040 nan 4.420 nan 0.000 0.262 89 P C -1.075 176.182 177.300 -0.072 0.000 1.182 89 P CA 0.278 63.300 63.100 -0.129 0.000 0.761 89 P CB 0.421 32.027 31.700 -0.157 0.000 0.795 90 T N 0.995 115.514 114.554 -0.058 0.000 2.993 90 T HA 0.294 4.644 4.350 0.000 0.000 0.312 90 T C -0.620 174.060 174.700 -0.034 0.000 1.115 90 T CA -0.618 61.463 62.100 -0.031 0.000 1.027 90 T CB 1.305 70.167 68.868 -0.010 0.000 1.116 90 T HN 0.144 nan 8.240 nan 0.000 0.464 91 S N 3.608 119.289 115.700 -0.031 0.000 2.523 91 S HA 0.529 4.999 4.470 0.000 0.000 0.275 91 S C -2.039 172.540 174.600 -0.034 0.000 1.281 91 S CA -1.143 57.033 58.200 -0.040 0.000 1.050 91 S CB -0.020 63.158 63.200 -0.036 0.000 0.937 91 S HN 0.539 nan 8.310 nan 0.000 0.492 92 P HA 0.292 nan 4.420 nan 0.000 0.280 92 P C -0.637 176.617 177.300 -0.077 0.000 1.244 92 P CA -0.620 62.434 63.100 -0.077 0.000 0.784 92 P CB 0.521 32.170 31.700 -0.085 0.000 0.913 93 N N 1.416 120.055 118.700 -0.101 0.000 2.424 93 N HA 0.067 4.808 4.740 0.000 0.000 0.257 93 N C 1.375 176.859 175.510 -0.045 0.000 1.250 93 N CA -0.478 52.549 53.050 -0.038 0.000 0.946 93 N CB 1.046 39.542 38.487 0.015 0.000 1.175 93 N HN 0.441 nan 8.380 nan 0.000 0.477 94 L N 1.499 122.774 121.223 0.087 0.000 2.021 94 L HA -0.274 4.066 4.340 0.000 0.000 0.215 94 L C 2.638 179.423 176.870 -0.142 0.000 1.074 94 L CA 1.644 56.459 54.840 -0.041 0.000 0.760 94 L CB -0.395 41.669 42.059 0.008 0.000 0.889 94 L HN 0.689 nan 8.230 nan 0.000 0.433 95 H N -0.935 118.122 119.070 -0.022 0.000 2.456 95 H HA -0.165 4.391 4.556 0.000 0.000 0.296 95 H C 1.679 176.968 175.328 -0.066 0.000 1.079 95 H CA 1.632 57.627 56.048 -0.088 0.000 1.322 95 H CB -0.371 29.407 29.762 0.025 0.000 1.388 95 H HN 0.560 nan 8.280 nan 0.000 0.538 96 E N 0.739 120.583 120.200 -0.594 0.000 2.106 96 E HA -0.023 4.327 4.350 0.000 0.000 0.192 96 E C 2.486 178.957 176.600 -0.216 0.000 0.984 96 E CA 1.000 57.148 56.400 -0.420 0.000 0.806 96 E CB 0.139 29.601 29.700 -0.398 0.000 0.750 96 E HN 0.469 nan 8.360 nan 0.000 0.458 97 I N 1.151 121.598 120.570 -0.204 0.000 2.163 97 I HA -0.258 3.912 4.170 0.000 0.000 0.240 97 I C 2.554 178.575 176.117 -0.160 0.000 1.081 97 I CA 1.017 62.220 61.300 -0.162 0.000 1.353 97 I CB -0.308 37.591 38.000 -0.168 0.000 1.054 97 I HN 0.085 nan 8.210 nan 0.000 0.407 98 A N 0.116 122.796 122.820 -0.233 0.000 1.877 98 A HA -0.253 4.067 4.320 0.000 0.000 0.216 98 A C 2.244 179.789 177.584 -0.065 0.000 1.186 98 A CA 1.597 53.514 52.037 -0.200 0.000 0.620 98 A CB -0.645 18.108 19.000 -0.411 0.000 0.822 98 A HN 0.484 nan 8.150 nan 0.000 0.443 99 Q N 0.019 119.787 119.800 -0.053 0.000 2.297 99 Q HA -0.100 4.240 4.340 0.000 0.000 0.204 99 Q C 2.323 178.315 176.000 -0.014 0.000 0.962 99 Q CA 1.364 57.166 55.803 -0.002 0.000 0.879 99 Q CB -0.177 28.586 28.738 0.041 0.000 0.947 99 Q HN 0.870 nan 8.270 nan 0.000 0.462 100 S N -0.529 115.147 115.700 -0.041 0.000 2.402 100 S HA -0.082 4.388 4.470 0.000 0.000 0.229 100 S C 1.956 176.543 174.600 -0.022 0.000 1.021 100 S CA 0.926 59.106 58.200 -0.033 0.000 0.974 100 S CB -0.278 62.893 63.200 -0.048 0.000 0.800 100 S HN 0.126 nan 8.310 nan 0.000 0.484 101 V N 1.109 121.010 119.914 -0.021 0.000 2.446 101 V HA 0.403 4.523 4.120 0.000 0.000 0.244 101 V C 1.232 177.329 176.094 0.004 0.000 1.039 101 V CA 1.113 63.407 62.300 -0.009 0.000 1.045 101 V CB -0.661 31.157 31.823 -0.008 0.000 0.681 101 V HN 0.737 nan 8.190 nan 0.000 0.459 102 A N -0.602 122.227 122.820 0.015 0.000 2.599 102 A HA 0.641 4.962 4.320 0.000 0.000 0.281 102 A C -2.217 175.386 177.584 0.032 0.000 1.137 102 A CA -0.877 51.175 52.037 0.026 0.000 0.767 102 A CB 1.015 20.038 19.000 0.039 0.000 1.266 102 A HN 0.170 nan 8.150 nan 0.000 0.420 103 P HA -0.201 nan 4.420 nan 0.000 0.218 103 P C 1.263 178.587 177.300 0.040 0.000 1.146 103 P CA 1.524 64.643 63.100 0.030 0.000 0.813 103 P CB 0.308 32.022 31.700 0.023 0.000 0.778 104 E N -0.409 119.814 120.200 0.038 0.000 2.511 104 E HA -0.007 4.343 4.350 0.000 0.000 0.196 104 E C 0.100 176.733 176.600 0.055 0.000 1.066 104 E CA 0.295 56.719 56.400 0.040 0.000 0.871 104 E CB -0.771 28.947 29.700 0.031 0.000 0.863 104 E HN 0.088 nan 8.360 nan 0.000 0.520 105 S N 1.142 116.887 115.700 0.074 0.000 2.563 105 S HA 0.164 4.634 4.470 0.000 0.000 0.284 105 S C 0.197 174.860 174.600 0.105 0.000 1.331 105 S CA -0.056 58.214 58.200 0.117 0.000 1.047 105 S CB 0.608 63.904 63.200 0.162 0.000 0.859 105 S HN 0.222 nan 8.310 nan 0.000 0.514 106 R N 0.843 121.418 120.500 0.126 0.000 2.621 106 R HA 0.699 5.039 4.340 0.000 0.000 0.292 106 R C -1.577 174.784 176.300 0.101 0.000 0.969 106 R CA -0.714 55.433 56.100 0.080 0.000 0.887 106 R CB 1.796 32.124 30.300 0.046 0.000 1.180 106 R HN 0.369 nan 8.270 nan 0.000 0.450 107 V N 2.772 122.684 119.914 -0.003 0.000 2.686 107 V HA 0.345 4.465 4.120 0.000 0.000 0.306 107 V C -0.616 175.362 176.094 -0.194 0.000 1.065 107 V CA -0.894 61.334 62.300 -0.121 0.000 0.894 107 V CB 2.282 33.905 31.823 -0.333 0.000 1.004 107 V HN 0.451 nan 8.190 nan 0.000 0.424 108 V N 4.962 124.779 119.914 -0.161 0.000 2.398 108 V HA 0.510 4.630 4.120 0.000 0.000 0.286 108 V C -0.963 175.065 176.094 -0.111 0.000 1.026 108 V CA -0.653 61.592 62.300 -0.091 0.000 0.868 108 V CB 1.431 33.236 31.823 -0.030 0.000 0.982 108 V HN 0.735 nan 8.190 nan 0.000 0.443 109 Y N 3.205 123.551 120.300 0.076 0.000 2.387 109 Y HA 0.728 5.278 4.550 0.000 0.000 0.330 109 Y C 0.092 176.007 175.900 0.024 0.000 1.133 109 Y CA -0.801 57.373 58.100 0.124 0.000 1.152 109 Y CB 2.019 40.630 38.460 0.251 0.000 1.215 109 Y HN 0.350 nan 8.280 nan 0.000 0.466 110 V N 3.015 123.050 119.914 0.203 0.000 2.733 110 V HA 0.421 4.541 4.120 0.000 0.000 0.306 110 V C -0.930 175.229 176.094 0.108 0.000 1.084 110 V CA -0.890 61.403 62.300 -0.012 0.000 0.905 110 V CB 1.965 33.779 31.823 -0.015 0.000 1.010 110 V HN 0.823 nan 8.190 nan 0.000 0.424 111 D N 2.243 122.697 120.400 0.090 0.000 2.599 111 D HA 0.295 4.935 4.640 0.000 0.000 0.252 111 D C -0.422 175.946 176.300 0.115 0.000 1.232 111 D CA -0.340 53.756 54.000 0.160 0.000 0.819 111 D CB 2.732 43.681 40.800 0.249 0.000 1.401 111 D HN 0.606 nan 8.370 nan 0.000 0.429 112 N N 0.163 118.919 118.700 0.093 0.000 2.184 112 N HA -0.010 4.730 4.740 0.000 0.000 0.206 112 N C -0.273 175.290 175.510 0.089 0.000 1.151 112 N CA -0.186 52.909 53.050 0.076 0.000 0.878 112 N CB 0.397 38.912 38.487 0.047 0.000 1.014 112 N HN 0.198 nan 8.380 nan 0.000 0.512 113 D N 1.897 122.356 120.400 0.098 0.000 2.339 113 D HA 0.197 4.837 4.640 0.000 0.000 0.256 113 D C -1.559 174.777 176.300 0.061 0.000 1.214 113 D CA -1.916 52.133 54.000 0.082 0.000 0.877 113 D CB 1.778 42.618 40.800 0.067 0.000 1.111 113 D HN -0.023 nan 8.370 nan 0.000 0.478 114 P HA -0.116 nan 4.420 nan 0.000 0.218 114 P C 1.667 178.965 177.300 -0.004 0.000 1.146 114 P CA 0.579 63.696 63.100 0.029 0.000 0.813 114 P CB 0.251 31.959 31.700 0.012 0.000 0.778 115 I N -0.998 119.551 120.570 -0.035 0.000 2.361 115 I HA -0.197 3.973 4.170 0.000 0.000 0.251 115 I C 1.703 177.779 176.117 -0.069 0.000 1.133 115 I CA 1.120 62.397 61.300 -0.038 0.000 1.413 115 I CB -0.000 37.984 38.000 -0.026 0.000 1.073 115 I HN -0.189 nan 8.210 nan 0.000 0.424 116 V N 0.743 120.613 119.914 -0.073 0.000 2.343 116 V HA -0.288 3.832 4.120 0.000 0.000 0.247 116 V C 2.383 178.257 176.094 -0.366 0.000 1.051 116 V CA 1.708 63.895 62.300 -0.188 0.000 1.036 116 V CB -0.741 31.012 31.823 -0.117 0.000 0.654 116 V HN 0.448 nan 8.190 nan 0.000 0.451 117 L N 1.277 122.365 121.223 -0.226 0.000 2.043 117 L HA -0.212 4.129 4.340 0.000 0.000 0.212 117 L C 2.758 179.533 176.870 -0.159 0.000 1.075 117 L CA 2.881 57.609 54.840 -0.186 0.000 0.752 117 L CB -1.094 41.011 42.059 0.078 0.000 0.891 117 L HN 0.625 nan 8.230 nan 0.000 0.432 118 T N -3.219 111.273 114.554 -0.103 0.000 2.929 118 T HA -0.157 4.194 4.350 0.000 0.000 0.271 118 T C 1.557 176.194 174.700 -0.105 0.000 1.085 118 T CA 1.494 63.547 62.100 -0.078 0.000 1.125 118 T CB -0.536 68.305 68.868 -0.044 0.000 0.874 118 T HN 0.394 nan 8.240 nan 0.000 0.494 119 L N 1.723 122.852 121.223 -0.157 0.000 2.700 119 L HA 0.311 4.651 4.340 0.000 0.000 0.234 119 L C 2.345 179.084 176.870 -0.220 0.000 1.156 119 L CA 0.178 54.921 54.840 -0.162 0.000 0.946 119 L CB 0.046 42.014 42.059 -0.152 0.000 1.216 119 L HN 0.351 nan 8.230 nan 0.000 0.493 120 S N -1.364 114.176 115.700 -0.268 0.000 2.522 120 S HA -0.157 4.313 4.470 0.000 0.000 0.227 120 S C 1.830 176.327 174.600 -0.171 0.000 0.986 120 S CA 0.259 58.262 58.200 -0.327 0.000 0.929 120 S CB -0.079 62.864 63.200 -0.429 0.000 0.769 120 S HN 0.434 nan 8.310 nan 0.000 0.529 121 Q N 2.063 121.796 119.800 -0.110 0.000 2.112 121 Q HA -0.131 4.210 4.340 0.000 0.000 0.206 121 Q C 2.117 178.086 176.000 -0.051 0.000 0.987 121 Q CA 2.234 58.000 55.803 -0.062 0.000 0.858 121 Q CB -1.250 27.461 28.738 -0.044 0.000 0.905 121 Q HN 0.669 nan 8.270 nan 0.000 0.420 122 G N 0.824 109.586 108.800 -0.064 0.000 2.432 122 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 122 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 122 G C 1.581 176.491 174.900 0.016 0.000 1.135 122 G CA 0.691 45.778 45.100 -0.021 0.000 0.767 122 G HN 0.360 nan 8.290 nan 0.000 0.550 123 L N -0.260 120.895 121.223 -0.113 0.000 2.141 123 L HA 0.101 4.441 4.340 0.000 0.000 0.209 123 L C 2.554 179.343 176.870 -0.136 0.000 1.094 123 L CA 0.456 55.181 54.840 -0.191 0.000 0.763 123 L CB -0.256 41.537 42.059 -0.442 0.000 0.908 123 L HN 0.173 nan 8.230 nan 0.000 0.437 124 L N -0.134 121.045 121.223 -0.074 0.000 2.554 124 L HA 0.121 4.461 4.340 0.000 0.000 0.226 124 L C 1.329 178.169 176.870 -0.049 0.000 1.137 124 L CA -0.378 54.433 54.840 -0.049 0.000 0.863 124 L CB -0.277 41.778 42.059 -0.006 0.000 0.985 124 L HN 0.100 nan 8.230 nan 0.000 0.451 125 A N 0.468 123.282 122.820 -0.010 0.000 2.797 125 A HA 0.286 4.606 4.320 0.000 0.000 0.296 125 A C 0.450 178.114 177.584 0.133 0.000 1.580 125 A CA 0.207 52.282 52.037 0.063 0.000 1.277 125 A CB -0.147 18.908 19.000 0.092 0.000 1.101 125 A HN 0.165 nan 8.150 nan 0.000 0.562 126 S N 1.824 117.558 115.700 0.056 0.000 2.617 126 S HA 0.573 5.043 4.470 0.000 0.000 0.283 126 S C 0.838 175.491 174.600 0.089 0.000 1.189 126 S CA 0.051 58.302 58.200 0.084 0.000 1.036 126 S CB 0.505 63.715 63.200 0.016 0.000 1.014 126 S HN 0.998 nan 8.310 nan 0.000 0.522 127 T N 2.596 117.211 114.554 0.100 0.000 2.908 127 T HA 0.168 4.518 4.350 0.000 0.000 0.325 127 T C -1.702 173.024 174.700 0.045 0.000 1.092 127 T CA -0.832 61.305 62.100 0.062 0.000 1.125 127 T CB -0.035 68.866 68.868 0.055 0.000 1.016 127 T HN 0.527 nan 8.240 nan 0.000 0.550 128 P HA -0.039 nan 4.420 nan 0.000 0.218 128 P C 1.019 178.334 177.300 0.024 0.000 1.149 128 P CA 1.005 64.120 63.100 0.025 0.000 0.817 128 P CB 0.090 31.802 31.700 0.020 0.000 0.785 129 E N -0.017 120.198 120.200 0.026 0.000 2.208 129 E HA 0.053 4.403 4.350 0.000 0.000 0.193 129 E C 1.545 178.163 176.600 0.029 0.000 0.988 129 E CA 0.891 57.306 56.400 0.025 0.000 0.828 129 E CB -0.676 29.039 29.700 0.024 0.000 0.763 129 E HN 0.280 nan 8.360 nan 0.000 0.478 130 G N -0.402 108.420 108.800 0.036 0.000 2.753 130 G HA2 0.665 4.625 3.960 0.000 0.000 0.285 130 G HA3 0.665 4.625 3.960 0.000 0.000 0.285 130 G C -0.756 174.164 174.900 0.032 0.000 1.344 130 G CA -0.799 44.326 45.100 0.042 0.000 1.050 130 G HN -0.045 nan 8.290 nan 0.000 0.532 131 R N -0.999 119.517 120.500 0.028 0.000 2.626 131 R HA 0.603 4.943 4.340 0.000 0.000 0.274 131 R C -1.036 175.259 176.300 -0.008 0.000 1.031 131 R CA -0.720 55.387 56.100 0.011 0.000 0.898 131 R CB 2.297 32.604 30.300 0.012 0.000 1.222 131 R HN 0.796 nan 8.270 nan 0.000 0.455 132 T N -1.337 113.200 114.554 -0.028 0.000 2.896 132 T HA 0.911 5.261 4.350 0.000 0.000 0.297 132 T C -0.864 173.847 174.700 0.017 0.000 1.108 132 T CA -0.831 61.243 62.100 -0.043 0.000 1.004 132 T CB 2.307 71.086 68.868 -0.148 0.000 1.159 132 T HN 0.720 nan 8.240 nan 0.000 0.499 133 A N 0.906 123.768 122.820 0.069 0.000 2.609 133 A HA 0.779 5.099 4.320 0.000 0.000 0.291 133 A C -2.142 175.581 177.584 0.232 0.000 1.096 133 A CA -0.951 51.152 52.037 0.110 0.000 0.684 133 A CB 1.504 20.534 19.000 0.050 0.000 1.282 133 A HN 1.153 nan 8.150 nan 0.000 0.412 134 Y N 0.595 120.947 120.300 0.086 0.000 2.391 134 Y HA 0.625 5.175 4.550 0.000 0.000 0.341 134 Y C -1.375 174.562 175.900 0.060 0.000 0.965 134 Y CA -0.840 57.319 58.100 0.098 0.000 1.067 134 Y CB 2.037 40.529 38.460 0.054 0.000 1.199 134 Y HN 0.553 nan 8.280 nan 0.000 0.450 135 V N 6.103 125.533 119.914 -0.808 0.000 2.483 135 V HA 0.277 4.397 4.120 0.000 0.000 0.297 135 V C -0.594 174.985 176.094 -0.859 0.000 1.027 135 V CA -1.048 60.901 62.300 -0.585 0.000 0.855 135 V CB 1.668 33.334 31.823 -0.262 0.000 0.995 135 V HN 0.781 nan 8.190 nan 0.000 0.424 136 E N 3.525 123.425 120.200 -0.500 0.000 2.105 136 E HA 0.644 4.994 4.350 0.000 0.000 0.285 136 E C -0.318 176.214 176.600 -0.113 0.000 1.055 136 E CA -0.042 56.232 56.400 -0.211 0.000 0.843 136 E CB 0.878 30.594 29.700 0.027 0.000 1.067 136 E HN 0.915 nan 8.360 nan 0.000 0.398 137 A N 4.334 127.104 122.820 -0.083 0.000 2.601 137 A HA 0.357 4.677 4.320 0.000 0.000 0.291 137 A C -1.409 176.167 177.584 -0.014 0.000 1.075 137 A CA -0.899 51.112 52.037 -0.044 0.000 0.671 137 A CB 1.744 20.708 19.000 -0.060 0.000 1.277 137 A HN 0.653 nan 8.150 nan 0.000 0.417 141 D N 1.249 121.655 120.400 0.010 0.000 2.456 141 D HA 0.300 4.940 4.640 0.000 0.000 0.287 141 D C -1.788 174.513 176.300 0.002 0.000 1.186 141 D CA -1.819 52.184 54.000 0.005 0.000 0.916 141 D CB 1.319 42.120 40.800 0.003 0.000 1.029 141 D HN -0.118 nan 8.370 nan 0.000 0.498 142 P HA -0.186 nan 4.420 nan 0.000 0.217 142 P C 1.184 178.482 177.300 -0.003 0.000 1.148 142 P CA 1.374 64.475 63.100 0.002 0.000 0.834 142 P CB 0.292 31.994 31.700 0.004 0.000 0.783 143 A N 0.125 122.943 122.820 -0.004 0.000 1.933 143 A HA -0.206 4.114 4.320 0.000 0.000 0.218 143 A C 2.401 179.979 177.584 -0.009 0.000 1.175 143 A CA 2.311 54.345 52.037 -0.006 0.000 0.628 143 A CB -1.645 17.352 19.000 -0.005 0.000 0.814 143 A HN 0.365 nan 8.150 nan 0.000 0.444 144 S N -0.137 115.558 115.700 -0.010 0.000 2.419 144 S HA -0.133 4.337 4.470 0.000 0.000 0.235 144 S C 1.777 176.363 174.600 -0.023 0.000 1.019 144 S CA 1.555 59.746 58.200 -0.015 0.000 0.982 144 S CB -0.663 62.529 63.200 -0.014 0.000 0.789 144 S HN 0.518 nan 8.310 nan 0.000 0.490 145 I N 0.753 121.310 120.570 -0.021 0.000 2.364 145 I HA 0.030 4.200 4.170 0.000 0.000 0.241 145 I C 2.340 178.445 176.117 -0.021 0.000 1.082 145 I CA 0.760 62.045 61.300 -0.026 0.000 1.401 145 I CB -0.311 37.678 38.000 -0.018 0.000 1.126 145 I HN 0.228 nan 8.210 nan 0.000 0.429 146 L N 0.431 121.646 121.223 -0.013 0.000 2.201 146 L HA -0.157 4.183 4.340 0.000 0.000 0.212 146 L C 1.180 178.043 176.870 -0.012 0.000 1.105 146 L CA 1.021 55.854 54.840 -0.011 0.000 0.775 146 L CB -0.425 41.629 42.059 -0.008 0.000 0.913 146 L HN 0.269 nan 8.230 nan 0.000 0.440 147 D N 0.265 120.658 120.400 -0.012 0.000 2.340 147 D HA 0.159 4.799 4.640 0.000 0.000 0.217 147 D C 0.806 177.098 176.300 -0.013 0.000 1.081 147 D CA 0.120 54.114 54.000 -0.011 0.000 0.842 147 D CB 0.276 41.071 40.800 -0.009 0.000 0.934 147 D HN 0.125 nan 8.370 nan 0.000 0.511 148 A N 2.322 125.131 122.820 -0.018 0.000 2.520 148 A HA 0.192 4.512 4.320 0.000 0.000 0.245 148 A C -1.054 176.520 177.584 -0.016 0.000 1.072 148 A CA -0.749 51.274 52.037 -0.022 0.000 0.761 148 A CB 0.576 19.555 19.000 -0.036 0.000 1.004 148 A HN -0.049 nan 8.150 nan 0.000 0.499 149 P HA -0.148 nan 4.420 nan 0.000 0.218 149 P C 0.721 178.018 177.300 -0.006 0.000 1.149 149 P CA 1.280 64.375 63.100 -0.007 0.000 0.817 149 P CB 0.245 31.942 31.700 -0.004 0.000 0.785 150 E N -0.173 120.022 120.200 -0.009 0.000 2.110 150 E HA -0.125 4.225 4.350 0.000 0.000 0.193 150 E C 2.115 178.711 176.600 -0.006 0.000 0.988 150 E CA 0.696 57.094 56.400 -0.005 0.000 0.804 150 E CB -0.965 28.730 29.700 -0.009 0.000 0.745 150 E HN 0.217 nan 8.360 nan 0.000 0.458 151 L N 0.186 121.400 121.223 -0.014 0.000 2.044 151 L HA -0.077 4.263 4.340 0.000 0.000 0.205 151 L C 2.017 178.882 176.870 -0.009 0.000 1.075 151 L CA 1.112 55.944 54.840 -0.014 0.000 0.747 151 L CB 0.107 42.154 42.059 -0.019 0.000 0.903 151 L HN -0.017 nan 8.230 nan 0.000 0.435 152 R N 0.074 120.569 120.500 -0.008 0.000 2.189 152 R HA -0.083 4.258 4.340 0.000 0.000 0.223 152 R C 1.373 177.671 176.300 -0.003 0.000 1.092 152 R CA 0.944 57.040 56.100 -0.006 0.000 0.989 152 R CB -0.730 29.566 30.300 -0.006 0.000 0.876 152 R HN 0.466 nan 8.270 nan 0.000 0.457 153 D N -0.733 119.666 120.400 -0.002 0.000 2.355 153 D HA -0.001 4.639 4.640 0.000 0.000 0.218 153 D C 1.002 177.304 176.300 0.003 0.000 1.004 153 D CA 0.813 54.814 54.000 0.001 0.000 0.880 153 D CB 0.449 41.251 40.800 0.003 0.000 0.911 153 D HN 0.142 nan 8.370 nan 0.000 0.528 154 T N -0.363 114.192 114.554 0.001 0.000 3.087 154 T HA 0.228 4.578 4.350 0.000 0.000 0.237 154 T C 1.010 175.711 174.700 0.001 0.000 0.990 154 T CA -0.045 62.057 62.100 0.002 0.000 1.160 154 T CB 0.781 69.650 68.868 0.001 0.000 0.923 154 T HN -0.061 nan 8.240 nan 0.000 0.442 155 L N 2.125 123.346 121.223 -0.003 0.000 2.343 155 L HA 0.528 4.868 4.340 0.000 0.000 0.275 155 L C -0.500 176.366 176.870 -0.007 0.000 1.056 155 L CA -0.936 53.900 54.840 -0.006 0.000 0.804 155 L CB 0.906 42.958 42.059 -0.011 0.000 1.203 155 L HN 0.109 nan 8.230 nan 0.000 0.440 156 D N 2.587 122.981 120.400 -0.009 0.000 2.443 156 D HA 0.218 4.859 4.640 0.000 0.000 0.221 156 D C 0.530 176.822 176.300 -0.013 0.000 1.097 156 D CA -0.251 53.744 54.000 -0.009 0.000 0.865 156 D CB 1.165 41.962 40.800 -0.006 0.000 1.034 156 D HN 0.397 nan 8.370 nan 0.000 0.511 157 L N 2.974 124.190 121.223 -0.012 0.000 2.650 157 L HA 0.012 4.353 4.340 0.000 0.000 0.235 157 L C 1.912 178.775 176.870 -0.012 0.000 1.149 157 L CA 0.564 55.396 54.840 -0.013 0.000 0.887 157 L CB -0.407 41.645 42.059 -0.012 0.000 1.021 157 L HN 0.436 nan 8.230 nan 0.000 0.441 158 T N -3.526 111.021 114.554 -0.010 0.000 3.107 158 T HA 0.164 4.514 4.350 0.000 0.000 0.249 158 T C 0.829 175.523 174.700 -0.010 0.000 1.096 158 T CA -0.235 61.859 62.100 -0.009 0.000 1.012 158 T CB 0.161 69.025 68.868 -0.007 0.000 0.977 158 T HN 0.207 nan 8.240 nan 0.000 0.527 159 R N 1.023 121.515 120.500 -0.013 0.000 2.854 159 R HA 0.556 4.896 4.340 0.000 0.000 0.271 159 R C -3.099 173.187 176.300 -0.023 0.000 0.994 159 R CA -2.627 53.465 56.100 -0.015 0.000 0.945 159 R CB 1.171 31.463 30.300 -0.014 0.000 1.194 159 R HN 0.038 nan 8.270 nan 0.000 0.476 160 P HA -0.002 nan 4.420 nan 0.000 0.265 160 P C -0.980 176.281 177.300 -0.065 0.000 1.187 160 P CA 0.039 63.126 63.100 -0.022 0.000 0.766 160 P CB 0.569 32.274 31.700 0.009 0.000 0.820 161 V N 2.095 121.969 119.914 -0.067 0.000 2.789 161 V HA 0.625 4.745 4.120 0.000 0.000 0.311 161 V C -0.098 175.926 176.094 -0.118 0.000 1.073 161 V CA -0.979 61.242 62.300 -0.131 0.000 0.921 161 V CB 2.071 33.849 31.823 -0.076 0.000 1.009 161 V HN 0.588 nan 8.190 nan 0.000 0.426 162 A N 4.217 126.866 122.820 -0.284 0.000 2.269 162 A HA 0.718 5.038 4.320 0.000 0.000 0.302 162 A C -0.747 176.829 177.584 -0.013 0.000 1.266 162 A CA -0.295 51.662 52.037 -0.133 0.000 0.894 162 A CB 0.415 19.250 19.000 -0.276 0.000 1.147 162 A HN 0.834 nan 8.150 nan 0.000 0.537 163 L N 4.256 125.514 121.223 0.057 0.000 2.261 163 L HA 0.478 4.818 4.340 0.000 0.000 0.289 163 L C 0.560 177.494 176.870 0.107 0.000 1.059 163 L CA 0.409 55.291 54.840 0.069 0.000 0.816 163 L CB 0.781 42.870 42.059 0.050 0.000 1.191 163 L HN 0.664 nan 8.230 nan 0.000 0.431 164 T N 2.258 116.883 114.554 0.120 0.000 2.758 164 T HA 0.620 4.971 4.350 0.000 0.000 0.285 164 T C -0.342 174.423 174.700 0.108 0.000 0.981 164 T CA -0.694 61.487 62.100 0.134 0.000 0.965 164 T CB 1.132 70.090 68.868 0.151 0.000 0.927 164 T HN 0.280 nan 8.240 nan 0.000 0.448 165 V N 5.495 125.467 119.914 0.097 0.000 2.315 165 V HA 0.391 4.511 4.120 0.000 0.000 0.265 165 V C -0.351 175.783 176.094 0.066 0.000 1.019 165 V CA -0.671 61.663 62.300 0.057 0.000 0.824 165 V CB -0.015 31.806 31.823 -0.003 0.000 1.072 165 V HN 0.914 nan 8.190 nan 0.000 0.448 166 I N 2.723 123.356 120.570 0.105 0.000 2.378 166 I HA 0.621 4.791 4.170 0.000 0.000 0.291 166 I C 0.929 177.119 176.117 0.121 0.000 0.992 166 I CA -0.720 60.660 61.300 0.133 0.000 1.154 166 I CB 1.771 39.892 38.000 0.200 0.000 1.315 166 I HN 0.650 nan 8.210 nan 0.000 0.448 167 A N 4.825 127.732 122.820 0.146 0.000 2.822 167 A HA -0.226 4.094 4.320 0.000 0.000 0.287 167 A C 0.550 178.305 177.584 0.286 0.000 1.479 167 A CA 1.537 53.738 52.037 0.273 0.000 0.779 167 A CB -1.673 17.476 19.000 0.247 0.000 1.022 167 A HN 0.792 nan 8.150 nan 0.000 0.532 168 I N -3.278 117.382 120.570 0.150 0.000 4.922 168 I HA 0.165 4.335 4.170 0.000 0.000 0.331 168 I C 1.608 177.692 176.117 -0.056 0.000 1.260 168 I CA 1.044 62.395 61.300 0.085 0.000 1.366 168 I CB 0.773 38.836 38.000 0.106 0.000 1.386 168 I HN 0.284 nan 8.210 nan 0.000 0.483 169 V N 1.791 121.684 119.914 -0.036 0.000 2.626 169 V HA -0.261 3.859 4.120 0.000 0.000 0.252 169 V C 2.249 178.311 176.094 -0.052 0.000 1.067 169 V CA 2.542 64.819 62.300 -0.039 0.000 1.081 169 V CB -0.882 30.861 31.823 -0.132 0.000 0.686 169 V HN 0.798 nan 8.190 nan 0.000 0.468 170 H N -2.915 116.051 119.070 -0.173 0.000 2.545 170 H HA -0.036 4.520 4.556 0.000 0.000 0.282 170 H C 1.548 176.650 175.328 -0.377 0.000 1.020 170 H CA 1.493 57.363 56.048 -0.296 0.000 1.243 170 H CB -0.569 28.936 29.762 -0.428 0.000 1.377 170 H HN 0.479 nan 8.280 nan 0.000 0.581 171 F N 1.005 120.757 119.950 -0.330 0.000 2.797 171 F HA 0.191 4.718 4.527 0.001 0.000 0.302 171 F C 0.320 176.078 175.800 -0.070 0.000 1.130 171 F CA -0.336 57.547 58.000 -0.194 0.000 1.387 171 F CB 0.428 39.288 39.000 -0.233 0.000 1.107 171 F HN 0.000 nan 8.300 nan 0.000 0.577 172 V N 3.402 123.366 119.914 0.084 0.000 2.348 172 V HA 0.195 4.316 4.120 0.000 0.000 0.270 172 V C 0.361 176.497 176.094 0.071 0.000 1.037 172 V CA -0.824 61.526 62.300 0.083 0.000 0.872 172 V CB 0.995 32.870 31.823 0.087 0.000 1.002 172 V HN -0.015 nan 8.190 nan 0.000 0.464 173 L N 3.033 124.294 121.223 0.065 0.000 2.439 173 L HA 0.342 4.683 4.340 0.000 0.000 0.261 173 L C 1.481 178.376 176.870 0.042 0.000 1.153 173 L CA -0.273 54.598 54.840 0.051 0.000 0.808 173 L CB 0.950 43.038 42.059 0.049 0.000 1.126 173 L HN 0.646 nan 8.230 nan 0.000 0.460 174 D N 0.928 121.347 120.400 0.032 0.000 2.158 174 D HA -0.234 4.406 4.640 0.000 0.000 0.197 174 D C 1.638 177.944 176.300 0.011 0.000 0.995 174 D CA 1.695 55.705 54.000 0.017 0.000 0.846 174 D CB 0.208 41.014 40.800 0.009 0.000 0.941 174 D HN 0.694 nan 8.370 nan 0.000 0.456 175 E N 0.873 121.082 120.200 0.015 0.000 2.265 175 E HA -0.177 4.173 4.350 0.000 0.000 0.196 175 E C 0.800 177.407 176.600 0.011 0.000 0.996 175 E CA 0.996 57.402 56.400 0.011 0.000 0.832 175 E CB -0.022 29.686 29.700 0.013 0.000 0.756 175 E HN 0.157 nan 8.360 nan 0.000 0.491 176 D N 1.112 121.523 120.400 0.018 0.000 2.349 176 D HA -0.005 4.635 4.640 0.000 0.000 0.214 176 D C -0.375 175.934 176.300 0.015 0.000 1.063 176 D CA 0.367 54.378 54.000 0.019 0.000 0.847 176 D CB -0.030 40.787 40.800 0.029 0.000 0.933 176 D HN 0.121 nan 8.370 nan 0.000 0.513 177 D N 0.287 120.691 120.400 0.007 0.000 3.133 177 D HA -0.216 4.425 4.640 0.000 0.000 0.239 177 D C 1.160 177.461 176.300 0.002 0.000 1.136 177 D CA 0.527 54.519 54.000 -0.013 0.000 0.898 177 D CB -0.847 39.938 40.800 -0.026 0.000 0.959 177 D HN 0.171 nan 8.370 nan 0.000 0.415 178 A N 1.342 124.184 122.820 0.037 0.000 1.917 178 A HA -0.171 4.149 4.320 0.000 0.000 0.219 178 A C 2.467 180.126 177.584 0.126 0.000 1.182 178 A CA 1.866 53.981 52.037 0.130 0.000 0.633 178 A CB -0.320 18.834 19.000 0.258 0.000 0.819 178 A HN 0.513 nan 8.150 nan 0.000 0.448 179 V N -0.190 119.625 119.914 -0.164 0.000 2.295 179 V HA -0.187 3.933 4.120 0.000 0.000 0.246 179 V C 2.830 178.847 176.094 -0.127 0.000 1.049 179 V CA 2.005 64.065 62.300 -0.399 0.000 1.024 179 V CB -1.471 29.967 31.823 -0.642 0.000 0.648 179 V HN 0.623 nan 8.190 nan 0.000 0.447 180 G N -0.248 108.499 108.800 -0.090 0.000 2.418 180 G HA2 -0.224 3.737 3.960 0.000 0.000 0.217 180 G HA3 -0.224 3.737 3.960 0.000 0.000 0.217 180 G C 1.583 176.477 174.900 -0.009 0.000 1.158 180 G CA 1.062 46.134 45.100 -0.047 0.000 0.771 180 G HN 0.486 nan 8.290 nan 0.000 0.545 181 I N 0.214 120.794 120.570 0.016 0.000 2.179 181 I HA -0.156 4.014 4.170 0.000 0.000 0.242 181 I C 2.793 178.935 176.117 0.042 0.000 1.088 181 I CA 0.538 61.858 61.300 0.032 0.000 1.357 181 I CB -0.301 37.728 38.000 0.048 0.000 1.051 181 I HN 0.027 nan 8.210 nan 0.000 0.409 182 V N 0.899 120.861 119.914 0.080 0.000 2.287 182 V HA -0.251 3.869 4.120 0.000 0.000 0.248 182 V C 2.582 178.696 176.094 0.033 0.000 1.053 182 V CA 1.718 64.064 62.300 0.078 0.000 1.027 182 V CB -0.737 31.187 31.823 0.169 0.000 0.646 182 V HN 0.372 nan 8.190 nan 0.000 0.447 183 R N -0.128 120.381 120.500 0.015 0.000 2.148 183 R HA -0.059 4.281 4.340 0.000 0.000 0.223 183 R C 2.272 178.567 176.300 -0.008 0.000 1.088 183 R CA 0.881 56.975 56.100 -0.010 0.000 0.985 183 R CB -0.778 29.502 30.300 -0.033 0.000 0.880 183 R HN 0.365 nan 8.270 nan 0.000 0.451 184 R N 1.296 121.795 120.500 -0.003 0.000 2.092 184 R HA 0.015 4.355 4.340 0.000 0.000 0.231 184 R C 2.120 178.420 176.300 0.000 0.000 1.119 184 R CA 1.176 57.274 56.100 -0.003 0.000 0.970 184 R CB -0.704 29.596 30.300 -0.001 0.000 0.864 184 R HN 0.190 nan 8.270 nan 0.000 0.440 185 L N -0.120 121.107 121.223 0.006 0.000 2.141 185 L HA -0.095 4.245 4.340 0.000 0.000 0.209 185 L C 2.016 178.887 176.870 0.003 0.000 1.094 185 L CA 0.552 55.396 54.840 0.006 0.000 0.763 185 L CB -0.404 41.663 42.059 0.013 0.000 0.908 185 L HN 0.203 nan 8.230 nan 0.000 0.437 186 L N -0.643 120.581 121.223 0.001 0.000 2.240 186 L HA -0.065 4.276 4.340 0.000 0.000 0.211 186 L C 2.479 179.345 176.870 -0.007 0.000 1.106 186 L CA 1.356 56.195 54.840 -0.002 0.000 0.793 186 L CB -0.523 41.533 42.059 -0.005 0.000 0.927 186 L HN 0.130 nan 8.230 nan 0.000 0.446 187 E N 0.679 120.874 120.200 -0.008 0.000 2.065 187 E HA -0.207 4.143 4.350 0.000 0.000 0.201 187 E C -0.485 176.109 176.600 -0.009 0.000 1.016 187 E CA 2.153 58.547 56.400 -0.009 0.000 0.818 187 E CB -1.674 28.021 29.700 -0.009 0.000 0.749 187 E HN 0.495 nan 8.360 nan 0.000 0.453 188 P HA -0.003 nan 4.420 nan 0.000 0.237 188 P C 0.426 177.719 177.300 -0.011 0.000 1.178 188 P CA 0.382 63.476 63.100 -0.009 0.000 0.766 188 P CB 0.002 31.697 31.700 -0.008 0.000 0.876 189 L N 2.269 123.485 121.223 -0.011 0.000 2.349 189 L HA 0.328 4.669 4.340 0.000 0.000 0.275 189 L C -1.913 174.947 176.870 -0.016 0.000 1.115 189 L CA -2.345 52.486 54.840 -0.014 0.000 0.820 189 L CB 0.276 42.328 42.059 -0.012 0.000 1.135 189 L HN -0.149 nan 8.230 nan 0.000 0.445 190 P HA 0.085 nan 4.420 nan 0.000 0.274 190 P C -0.465 176.820 177.300 -0.025 0.000 1.256 190 P CA -0.525 62.564 63.100 -0.018 0.000 0.795 190 P CB 0.565 32.256 31.700 -0.015 0.000 1.038 191 S N -0.175 115.509 115.700 -0.026 0.000 2.573 191 S HA 0.266 4.736 4.470 0.000 0.000 0.297 191 S C 1.533 176.110 174.600 -0.039 0.000 1.280 191 S CA 1.360 59.538 58.200 -0.036 0.000 1.061 191 S CB -0.940 62.244 63.200 -0.026 0.000 0.812 191 S HN 0.943 nan 8.310 nan 0.000 0.500 192 G N 2.566 111.322 108.800 -0.073 0.000 2.195 192 G HA2 -0.251 3.709 3.960 0.000 0.000 0.246 192 G HA3 -0.251 3.709 3.960 0.000 0.000 0.246 192 G C 0.288 175.155 174.900 -0.054 0.000 0.984 192 G CA 0.114 45.173 45.100 -0.068 0.000 0.633 192 G HN 0.722 nan 8.290 nan 0.000 0.525 193 S N -0.491 115.173 115.700 -0.059 0.000 2.608 193 S HA 0.669 5.139 4.470 0.000 0.000 0.261 193 S C -0.298 174.255 174.600 -0.078 0.000 1.314 193 S CA 0.207 58.410 58.200 0.005 0.000 0.992 193 S CB 0.656 63.851 63.200 -0.009 0.000 0.935 193 S HN 0.360 nan 8.310 nan 0.000 0.564 194 Y N -0.284 120.012 120.300 -0.006 0.000 2.576 194 Y HA 0.626 5.177 4.550 0.000 0.000 0.346 194 Y C -0.511 175.426 175.900 0.062 0.000 1.018 194 Y CA -0.983 57.146 58.100 0.048 0.000 1.050 194 Y CB 1.323 39.817 38.460 0.055 0.000 1.280 194 Y HN 0.427 nan 8.280 nan 0.000 0.474 195 L N 2.200 123.591 121.223 0.280 0.000 2.333 195 L HA 0.954 5.294 4.340 0.000 0.000 0.280 195 L C -0.790 176.293 176.870 0.354 0.000 1.004 195 L CA -0.349 54.631 54.840 0.233 0.000 0.820 195 L CB 0.917 43.055 42.059 0.133 0.000 1.247 195 L HN 0.718 nan 8.230 nan 0.000 0.416 199 I N 2.311 122.817 120.570 -0.108 0.000 2.447 199 I HA 0.574 4.744 4.170 0.000 0.000 0.287 199 I C 0.860 176.967 176.117 -0.016 0.000 1.023 199 I CA -0.730 60.551 61.300 -0.031 0.000 1.083 199 I CB 1.973 39.980 38.000 0.011 0.000 1.245 199 I HN 0.974 nan 8.210 nan 0.000 0.434 200 G N 3.132 111.868 108.800 -0.106 0.000 2.441 200 G HA2 0.409 4.369 3.960 0.000 0.000 0.243 200 G HA3 0.409 4.369 3.960 0.000 0.000 0.243 200 G C -0.370 174.472 174.900 -0.096 0.000 1.281 200 G CA 0.132 45.098 45.100 -0.223 0.000 0.854 200 G HN 0.511 nan 8.290 nan 0.000 0.560 201 T N -0.428 114.053 114.554 -0.122 0.000 2.916 201 T HA 0.537 4.887 4.350 0.000 0.000 0.305 201 T C 0.675 175.292 174.700 -0.137 0.000 1.119 201 T CA 0.266 62.320 62.100 -0.076 0.000 1.008 201 T CB 1.597 70.415 68.868 -0.083 0.000 1.129 201 T HN 0.879 nan 8.240 nan 0.000 0.480 202 A N 2.603 125.344 122.820 -0.131 0.000 2.308 202 A HA 0.316 4.637 4.320 0.000 0.000 0.217 202 A C 1.528 179.004 177.584 -0.179 0.000 1.216 202 A CA 0.255 52.184 52.037 -0.182 0.000 0.864 202 A CB -0.358 18.542 19.000 -0.167 0.000 0.902 202 A HN 0.924 nan 8.150 nan 0.000 0.499 203 E N -0.830 119.244 120.200 -0.209 0.000 2.265 203 E HA -0.134 4.216 4.350 0.000 0.000 0.196 203 E C 0.538 176.825 176.600 -0.523 0.000 0.996 203 E CA 1.142 57.310 56.400 -0.387 0.000 0.832 203 E CB -0.166 29.215 29.700 -0.533 0.000 0.756 203 E HN 0.775 nan 8.360 nan 0.000 0.491 204 F N -0.691 119.201 119.950 -0.097 0.000 2.746 204 F HA 0.301 4.828 4.527 0.000 0.000 0.297 204 F C 0.787 176.540 175.800 -0.080 0.000 1.113 204 F CA 0.022 57.984 58.000 -0.063 0.000 1.367 204 F CB 0.913 39.886 39.000 -0.045 0.000 1.111 204 F HN -0.165 nan 8.300 nan 0.000 0.590 205 A N -0.281 122.516 122.820 -0.039 0.000 3.422 205 A HA 0.448 4.769 4.320 0.000 0.000 0.271 205 A C -2.123 175.327 177.584 -0.224 0.000 1.104 205 A CA -0.777 51.182 52.037 -0.129 0.000 0.899 205 A CB -0.185 18.704 19.000 -0.184 0.000 1.309 205 A HN -0.065 nan 8.150 nan 0.000 0.580 206 P HA -0.243 nan 4.420 nan 0.000 0.215 206 P C 1.677 178.882 177.300 -0.158 0.000 1.157 206 P CA 1.509 64.516 63.100 -0.156 0.000 0.874 206 P CB 0.318 31.952 31.700 -0.110 0.000 0.790 207 Q N -0.261 119.463 119.800 -0.126 0.000 2.016 207 Q HA -0.212 4.129 4.340 0.000 0.000 0.200 207 Q C 1.957 177.874 176.000 -0.138 0.000 0.978 207 Q CA 1.685 57.426 55.803 -0.103 0.000 0.833 207 Q CB -0.261 28.441 28.738 -0.061 0.000 0.895 207 Q HN 0.133 nan 8.270 nan 0.000 0.427 208 E N -0.409 119.675 120.200 -0.193 0.000 2.047 208 E HA -0.136 4.214 4.350 0.000 0.000 0.191 208 E C 2.002 178.349 176.600 -0.421 0.000 0.987 208 E CA 1.393 57.648 56.400 -0.242 0.000 0.799 208 E CB -0.099 29.451 29.700 -0.251 0.000 0.752 208 E HN 0.165 nan 8.360 nan 0.000 0.449 209 V N 0.582 120.102 119.914 -0.658 0.000 2.427 209 V HA -0.160 3.960 4.120 0.000 0.000 0.248 209 V C 2.239 178.147 176.094 -0.311 0.000 1.051 209 V CA 1.895 63.797 62.300 -0.664 0.000 1.048 209 V CB -1.087 30.262 31.823 -0.790 0.000 0.666 209 V HN 0.434 nan 8.190 nan 0.000 0.456 210 G N 0.062 108.726 108.800 -0.227 0.000 2.446 210 G HA2 -0.245 3.716 3.960 0.000 0.000 0.217 210 G HA3 -0.245 3.716 3.960 0.000 0.000 0.217 210 G C 1.727 176.586 174.900 -0.069 0.000 1.168 210 G CA 0.541 45.568 45.100 -0.122 0.000 0.771 210 G HN 0.317 nan 8.290 nan 0.000 0.551 211 R N 0.072 120.531 120.500 -0.069 0.000 2.081 211 R HA -0.022 4.318 4.340 0.000 0.000 0.235 211 R C 2.724 179.036 176.300 0.020 0.000 1.131 211 R CA 0.947 57.036 56.100 -0.018 0.000 0.960 211 R CB -1.143 29.149 30.300 -0.013 0.000 0.856 211 R HN 0.364 nan 8.270 nan 0.000 0.436 212 V N 1.307 121.231 119.914 0.016 0.000 2.295 212 V HA -0.242 3.878 4.120 0.000 0.000 0.246 212 V C 2.569 178.795 176.094 0.219 0.000 1.049 212 V CA 1.915 64.285 62.300 0.116 0.000 1.024 212 V CB -0.862 31.050 31.823 0.148 0.000 0.648 212 V HN 0.334 nan 8.190 nan 0.000 0.447 213 A N -0.100 122.796 122.820 0.127 0.000 1.933 213 A HA -0.229 4.091 4.320 0.000 0.000 0.218 213 A C 2.355 180.043 177.584 0.173 0.000 1.175 213 A CA 1.792 53.922 52.037 0.155 0.000 0.628 213 A CB -0.483 18.525 19.000 0.014 0.000 0.814 213 A HN 0.533 nan 8.150 nan 0.000 0.444 214 R N -0.565 119.995 120.500 0.099 0.000 2.148 214 R HA -0.057 4.283 4.340 0.000 0.000 0.223 214 R C 1.830 178.185 176.300 0.092 0.000 1.088 214 R CA 1.056 57.205 56.100 0.082 0.000 0.985 214 R CB -0.176 30.148 30.300 0.041 0.000 0.880 214 R HN 0.508 nan 8.270 nan 0.000 0.451 215 E N 0.233 120.487 120.200 0.090 0.000 2.072 215 E HA -0.173 4.177 4.350 0.000 0.000 0.191 215 E C 1.821 178.451 176.600 0.050 0.000 0.985 215 E CA 1.274 57.698 56.400 0.039 0.000 0.801 215 E CB -0.261 29.431 29.700 -0.012 0.000 0.750 215 E HN 0.405 nan 8.360 nan 0.000 0.452 216 Y N 1.211 121.571 120.300 0.100 0.000 2.128 216 Y HA -0.217 4.334 4.550 0.001 0.000 0.284 216 Y C 2.534 178.501 175.900 0.111 0.000 1.154 216 Y CA 1.394 59.579 58.100 0.142 0.000 1.149 216 Y CB -0.589 38.012 38.460 0.234 0.000 0.976 216 Y HN 0.047 nan 8.280 nan 0.000 0.505 217 A N -0.040 122.932 122.820 0.254 0.000 1.940 217 A HA -0.166 4.155 4.320 0.000 0.000 0.219 217 A C 2.372 180.016 177.584 0.101 0.000 1.176 217 A CA 1.770 53.900 52.037 0.155 0.000 0.631 217 A CB -1.230 17.838 19.000 0.114 0.000 0.814 217 A HN 0.421 nan 8.150 nan 0.000 0.446 218 A N -0.697 122.172 122.820 0.081 0.000 2.067 218 A HA -0.050 4.270 4.320 0.000 0.000 0.219 218 A C 1.925 179.529 177.584 0.034 0.000 1.158 218 A CA 1.126 53.191 52.037 0.046 0.000 0.661 218 A CB -0.252 18.767 19.000 0.031 0.000 0.801 218 A HN 0.507 nan 8.150 nan 0.000 0.452 219 R N -0.294 120.232 120.500 0.043 0.000 2.609 219 R HA 0.249 4.589 4.340 0.000 0.000 0.326 219 R C -0.627 175.690 176.300 0.029 0.000 1.090 219 R CA 0.050 56.163 56.100 0.021 0.000 1.072 219 R CB -0.282 30.015 30.300 -0.005 0.000 1.330 219 R HN 0.689 nan 8.270 nan 0.000 0.572 225 L N 4.357 125.569 121.223 -0.019 0.000 2.350 225 L HA 0.617 4.958 4.340 0.000 0.000 0.275 225 L C 0.575 177.458 176.870 0.022 0.000 1.099 225 L CA -0.609 54.214 54.840 -0.028 0.000 0.808 225 L CB 1.243 43.251 42.059 -0.085 0.000 1.149 225 L HN 0.476 nan 8.230 nan 0.000 0.442 226 R N 0.312 120.852 120.500 0.066 0.000 2.740 226 R HA 0.457 4.797 4.340 0.000 0.000 0.282 226 R C -0.293 176.110 176.300 0.171 0.000 0.969 226 R CA -0.705 55.466 56.100 0.118 0.000 0.918 226 R CB 2.236 32.639 30.300 0.172 0.000 1.175 226 R HN 0.721 nan 8.270 nan 0.000 0.464 227 T N -2.193 112.445 114.554 0.140 0.000 2.788 227 T HA -0.005 4.345 4.350 0.000 0.000 0.287 227 T C 1.304 176.112 174.700 0.180 0.000 1.007 227 T CA -0.429 61.776 62.100 0.174 0.000 1.005 227 T CB 0.826 69.750 68.868 0.093 0.000 1.012 227 T HN 0.626 nan 8.240 nan 0.000 0.530 228 H N 0.869 119.964 119.070 0.041 0.000 2.319 228 H HA -0.133 4.423 4.556 0.000 0.000 0.299 228 H C 2.319 177.580 175.328 -0.112 0.000 1.092 228 H CA 2.251 58.144 56.048 -0.258 0.000 1.302 228 H CB -0.661 28.968 29.762 -0.221 0.000 1.373 228 H HN 0.803 nan 8.280 nan 0.000 0.497 229 A N 0.980 123.859 122.820 0.099 0.000 1.908 229 A HA -0.191 4.129 4.320 0.000 0.000 0.218 229 A C 2.379 179.974 177.584 0.017 0.000 1.181 229 A CA 1.827 53.902 52.037 0.064 0.000 0.627 229 A CB -0.478 18.559 19.000 0.062 0.000 0.818 229 A HN 0.619 nan 8.150 nan 0.000 0.445 230 E N -0.419 119.799 120.200 0.030 0.000 2.106 230 E HA -0.040 4.310 4.350 0.000 0.000 0.192 230 E C 2.281 178.939 176.600 0.098 0.000 0.984 230 E CA 0.775 57.199 56.400 0.040 0.000 0.806 230 E CB -0.266 29.474 29.700 0.066 0.000 0.750 230 E HN 0.628 nan 8.360 nan 0.000 0.458 231 A N 1.498 124.370 122.820 0.087 0.000 1.933 231 A HA -0.239 4.082 4.320 0.000 0.000 0.218 231 A C 1.875 179.608 177.584 0.248 0.000 1.175 231 A CA 1.336 53.485 52.037 0.187 0.000 0.628 231 A CB -0.378 18.561 19.000 -0.101 0.000 0.814 231 A HN 0.166 nan 8.150 nan 0.000 0.444 232 E N -0.619 119.600 120.200 0.031 0.000 2.209 232 E HA -0.226 4.124 4.350 0.000 0.000 0.196 232 E C 1.938 178.627 176.600 0.148 0.000 0.993 232 E CA 1.078 57.532 56.400 0.091 0.000 0.819 232 E CB -0.124 29.585 29.700 0.014 0.000 0.745 232 E HN 0.808 nan 8.360 nan 0.000 0.477 233 E N 0.151 120.376 120.200 0.041 0.000 2.118 233 E HA -0.197 4.153 4.350 0.000 0.000 0.195 233 E C 1.534 178.043 176.600 -0.152 0.000 0.992 233 E CA 0.875 57.218 56.400 -0.094 0.000 0.804 233 E CB -0.075 29.486 29.700 -0.232 0.000 0.741 233 E HN 0.224 nan 8.360 nan 0.000 0.458 234 F N -0.884 119.014 119.950 -0.088 0.000 2.269 234 F HA -0.130 4.397 4.527 0.000 0.000 0.301 234 F C 1.384 176.912 175.800 -0.454 0.000 1.082 234 F CA 0.836 58.647 58.000 -0.315 0.000 1.360 234 F CB -0.003 38.687 39.000 -0.517 0.000 1.041 234 F HN 0.051 nan 8.300 nan 0.000 0.512 235 F N -0.819 119.213 119.950 0.137 0.000 2.653 235 F HA 0.167 4.694 4.527 -0.000 0.000 0.304 235 F C 0.808 176.634 175.800 0.044 0.000 1.092 235 F CA -0.487 57.567 58.000 0.089 0.000 1.279 235 F CB -0.259 38.790 39.000 0.081 0.000 1.044 235 F HN -0.314 nan 8.300 nan 0.000 0.564 236 E N 0.754 121.033 120.200 0.132 0.000 2.465 236 E HA 0.164 4.514 4.350 0.000 0.000 0.260 236 E C 1.380 178.013 176.600 0.055 0.000 0.980 236 E CA 1.047 57.491 56.400 0.074 0.000 0.927 236 E CB 0.509 30.223 29.700 0.023 0.000 0.934 236 E HN 0.497 nan 8.360 nan 0.000 0.459 237 G N 2.647 111.478 108.800 0.052 0.000 2.205 237 G HA2 -0.284 3.676 3.960 0.000 0.000 0.261 237 G HA3 -0.284 3.676 3.960 0.000 0.000 0.261 237 G C 0.317 175.244 174.900 0.045 0.000 0.980 237 G CA 0.419 45.541 45.100 0.036 0.000 0.632 237 G HN 0.386 nan 8.290 nan 0.000 0.533 238 L N -0.008 121.265 121.223 0.083 0.000 2.358 238 L HA 0.637 4.978 4.340 0.000 0.000 0.268 238 L C 0.257 177.185 176.870 0.096 0.000 1.032 238 L CA -0.955 53.941 54.840 0.094 0.000 0.805 238 L CB 1.246 43.408 42.059 0.171 0.000 1.253 238 L HN 0.072 nan 8.230 nan 0.000 0.452 239 E N 2.101 122.340 120.200 0.066 0.000 2.063 239 E HA 0.341 4.691 4.350 0.000 0.000 0.265 239 E C -1.017 175.637 176.600 0.091 0.000 0.919 239 E CA -0.402 56.035 56.400 0.061 0.000 0.756 239 E CB 1.360 31.076 29.700 0.027 0.000 1.120 239 E HN 0.356 nan 8.360 nan 0.000 0.414 240 L N 3.006 124.282 121.223 0.089 0.000 2.455 240 L HA 0.045 4.385 4.340 0.000 0.000 0.272 240 L C 0.122 177.068 176.870 0.126 0.000 1.174 240 L CA -0.299 54.588 54.840 0.080 0.000 0.869 240 L CB 0.493 42.558 42.059 0.011 0.000 1.130 240 L HN 0.267 nan 8.230 nan 0.000 0.474 241 V N 2.779 122.809 119.914 0.193 0.000 2.572 241 V HA -0.001 4.119 4.120 0.000 0.000 0.291 241 V C 0.317 176.512 176.094 0.168 0.000 1.039 241 V CA -0.719 61.711 62.300 0.216 0.000 1.055 241 V CB 0.939 32.931 31.823 0.281 0.000 0.969 241 V HN 0.833 nan 8.190 nan 0.000 0.482 242 E N 8.133 128.398 120.200 0.108 0.000 2.442 242 E HA 0.067 4.417 4.350 0.000 0.000 0.262 242 E C -2.088 174.517 176.600 0.008 0.000 1.004 242 E CA -1.127 55.301 56.400 0.047 0.000 0.928 242 E CB 0.120 29.818 29.700 -0.003 0.000 0.937 242 E HN 0.442 nan 8.360 nan 0.000 0.446 243 P HA 0.141 nan 4.420 nan 0.000 0.256 243 P C 0.515 177.869 177.300 0.090 0.000 1.384 243 P CA 0.629 63.730 63.100 0.001 0.000 0.879 243 P CB 0.120 31.799 31.700 -0.036 0.000 1.403 244 G N 1.424 110.306 108.800 0.137 0.000 2.488 244 G HA2 -0.234 3.726 3.960 0.000 0.000 0.237 244 G HA3 -0.234 3.726 3.960 0.000 0.000 0.237 244 G C -0.676 174.301 174.900 0.129 0.000 1.209 244 G CA -0.442 44.722 45.100 0.106 0.000 0.929 244 G HN 0.203 nan 8.290 nan 0.000 0.578 245 I N 1.935 122.538 120.570 0.056 0.000 2.291 245 I HA 0.516 4.686 4.170 0.000 0.000 0.290 245 I C 0.727 176.961 176.117 0.195 0.000 1.050 245 I CA -0.584 60.705 61.300 -0.017 0.000 1.245 245 I CB 0.840 38.634 38.000 -0.343 0.000 1.405 245 I HN 0.791 nan 8.210 nan 0.000 0.478 246 V N 2.102 122.180 119.914 0.274 0.000 3.130 246 V HA 0.475 4.595 4.120 0.000 0.000 0.310 246 V C -0.402 175.899 176.094 0.344 0.000 1.158 246 V CA -1.087 61.423 62.300 0.350 0.000 1.029 246 V CB 1.684 33.659 31.823 0.253 0.000 1.057 246 V HN 0.641 nan 8.190 nan 0.000 0.436 247 Q N 0.605 120.543 119.800 0.230 0.000 2.333 247 Q HA 0.140 4.480 4.340 0.000 0.000 0.299 247 Q C 1.502 177.557 176.000 0.092 0.000 1.067 247 Q CA 0.583 56.412 55.803 0.044 0.000 0.943 247 Q CB 1.595 30.277 28.738 -0.092 0.000 1.233 247 Q HN 1.078 nan 8.270 nan 0.000 0.401 248 V N 0.711 120.642 119.914 0.028 0.000 2.469 248 V HA -0.296 3.824 4.120 0.000 0.000 0.251 248 V C 1.880 178.152 176.094 0.297 0.000 1.064 248 V CA 2.162 64.454 62.300 -0.012 0.000 1.066 248 V CB -1.046 30.648 31.823 -0.215 0.000 0.667 248 V HN 0.942 nan 8.190 nan 0.000 0.461 249 H N 1.057 120.184 119.070 0.095 0.000 2.559 249 H HA 0.123 4.679 4.556 0.000 0.000 0.273 249 H C 1.526 176.940 175.328 0.144 0.000 1.000 249 H CA 1.191 57.314 56.048 0.125 0.000 1.195 249 H CB -0.359 29.433 29.762 0.050 0.000 1.368 249 H HN 0.488 nan 8.280 nan 0.000 0.592 250 K N -0.434 119.847 120.400 -0.198 0.000 2.358 250 K HA 0.036 4.356 4.320 0.000 0.000 0.197 250 K C -0.478 176.194 176.600 0.120 0.000 1.025 250 K CA -0.343 55.861 56.287 -0.139 0.000 1.104 250 K CB 0.369 32.725 32.500 -0.240 0.000 0.855 250 K HN 0.141 nan 8.250 nan 0.000 0.531 251 W N 3.425 124.807 121.300 0.138 0.000 2.357 251 W HA 0.086 4.746 4.660 -0.000 0.000 0.317 251 W C -0.240 176.468 176.519 0.314 0.000 1.101 251 W CA 0.137 57.652 57.345 0.283 0.000 1.380 251 W CB -0.063 29.673 29.460 0.460 0.000 1.266 251 W HN 0.279 nan 8.180 nan 0.000 0.419 252 H N 4.460 123.331 119.070 -0.331 0.000 2.506 252 H HA -0.181 4.375 4.556 -0.000 0.000 0.323 252 H C -1.996 173.317 175.328 -0.025 0.000 1.076 252 H CA 0.013 55.879 56.048 -0.304 0.000 1.108 252 H CB -1.133 28.275 29.762 -0.590 0.000 1.569 252 H HN 0.236 nan 8.280 nan 0.000 0.399 253 P HA 0.031 nan 4.420 nan 0.000 0.271 253 P C 0.484 177.821 177.300 0.061 0.000 1.218 253 P CA 0.073 63.234 63.100 0.101 0.000 0.780 253 P CB 1.121 32.857 31.700 0.059 0.000 0.901 254 D N 0.905 121.349 120.400 0.073 0.000 2.433 254 D HA 0.161 4.802 4.640 0.000 0.000 0.255 254 D C 1.610 177.930 176.300 0.033 0.000 1.226 254 D CA -0.380 53.647 54.000 0.046 0.000 1.015 254 D CB 0.448 41.277 40.800 0.049 0.000 1.091 254 D HN 0.303 nan 8.370 nan 0.000 0.527 255 A N 0.283 123.116 122.820 0.021 0.000 1.986 255 A HA -0.135 4.185 4.320 0.000 0.000 0.220 255 A C 1.709 179.307 177.584 0.022 0.000 1.171 255 A CA 2.435 54.481 52.037 0.016 0.000 0.640 255 A CB -0.456 18.550 19.000 0.010 0.000 0.811 255 A HN 0.514 nan 8.150 nan 0.000 0.451 256 A N -2.412 120.426 122.820 0.029 0.000 2.390 256 A HA 0.295 4.615 4.320 0.000 0.000 0.232 256 A C 1.845 179.457 177.584 0.047 0.000 1.233 256 A CA 1.080 53.136 52.037 0.031 0.000 0.907 256 A CB -0.565 18.449 19.000 0.023 0.000 0.967 256 A HN 0.321 nan 8.150 nan 0.000 0.512 257 T N 0.469 115.061 114.554 0.064 0.000 2.699 257 T HA -0.138 4.212 4.350 0.000 0.000 0.268 257 T C 1.674 176.443 174.700 0.115 0.000 1.036 257 T CA 1.933 64.090 62.100 0.096 0.000 1.147 257 T CB -0.140 68.802 68.868 0.124 0.000 0.862 257 T HN 0.579 nan 8.240 nan 0.000 0.446 258 A N 0.720 123.606 122.820 0.110 0.000 2.500 258 A HA 0.470 4.791 4.320 0.000 0.000 0.267 258 A C 0.641 178.276 177.584 0.085 0.000 1.290 258 A CA 0.361 52.487 52.037 0.149 0.000 0.928 258 A CB -0.511 18.602 19.000 0.188 0.000 1.066 258 A HN 0.532 nan 8.150 nan 0.000 0.516 259 D N 0.032 120.463 120.400 0.052 0.000 2.426 259 D HA 0.423 5.063 4.640 0.000 0.000 0.261 259 D C 1.355 177.664 176.300 0.014 0.000 1.245 259 D CA 0.524 54.541 54.000 0.028 0.000 0.917 259 D CB -0.577 nan 40.800 nan 0.000 1.123 259 D HN 1.609 nan 8.370 nan 0.000 0.508 260 G N 1.415 110.223 108.800 0.012 0.000 2.155 260 G HA2 -0.231 3.729 3.960 0.000 0.000 0.257 260 G HA3 -0.231 3.729 3.960 0.000 0.000 0.257 260 G C 0.391 175.283 174.900 -0.015 0.000 0.983 260 G CA 0.407 45.506 45.100 -0.002 0.000 0.676 260 G HN 0.930 nan 8.290 nan 0.000 0.528 261 I N 0.878 121.445 120.570 -0.004 0.000 2.321 261 I HA 0.394 4.564 4.170 0.000 0.000 0.291 261 I C 0.942 177.044 176.117 -0.025 0.000 0.998 261 I CA -0.848 60.422 61.300 -0.050 0.000 1.227 261 I CB 1.013 38.958 38.000 -0.091 0.000 1.368 261 I HN 0.033 nan 8.210 nan 0.000 0.466 262 R N 3.871 124.346 120.500 -0.040 0.000 2.528 262 R HA 0.185 4.525 4.340 0.000 0.000 0.271 262 R C 0.293 176.577 176.300 -0.026 0.000 1.056 262 R CA -0.796 55.307 56.100 0.005 0.000 1.117 262 R CB 0.900 31.213 30.300 0.022 0.000 1.085 262 R HN 0.493 nan 8.270 nan 0.000 0.530 263 D N 1.636 122.063 120.400 0.044 0.000 2.149 263 D HA -0.195 4.445 4.640 0.000 0.000 0.198 263 D C 1.510 177.807 176.300 -0.005 0.000 0.990 263 D CA 1.615 55.612 54.000 -0.005 0.000 0.839 263 D CB 0.035 40.867 40.800 0.053 0.000 0.948 263 D HN 0.683 nan 8.370 nan 0.000 0.460 264 E N 0.472 120.736 120.200 0.106 0.000 2.338 264 E HA -0.132 4.218 4.350 0.000 0.000 0.197 264 E C 0.599 177.367 176.600 0.280 0.000 1.007 264 E CA 0.811 57.325 56.400 0.190 0.000 0.849 264 E CB -0.055 29.751 29.700 0.176 0.000 0.774 264 E HN 0.115 nan 8.360 nan 0.000 0.506 265 D N 0.595 121.075 120.400 0.134 0.000 2.349 265 D HA 0.088 4.728 4.640 0.000 0.000 0.224 265 D C 0.047 176.398 176.300 0.086 0.000 1.029 265 D CA 0.373 54.418 54.000 0.075 0.000 0.879 265 D CB 0.415 41.148 40.800 -0.111 0.000 0.906 265 D HN 0.214 nan 8.370 nan 0.000 0.528 266 I N 0.966 121.600 120.570 0.105 0.000 2.478 266 I HA 0.486 4.656 4.170 0.000 0.000 0.287 266 I C 0.011 176.221 176.117 0.154 0.000 1.042 266 I CA -0.986 60.361 61.300 0.078 0.000 1.067 266 I CB 1.438 39.266 38.000 -0.288 0.000 1.233 266 I HN -0.255 nan 8.210 nan 0.000 0.431 270 G N 0.585 109.190 108.800 -0.325 0.000 2.524 270 G HA2 0.934 4.894 3.960 0.000 0.000 0.310 270 G HA3 0.934 4.894 3.960 0.000 0.000 0.310 270 G C -1.607 173.073 174.900 -0.366 0.000 1.279 270 G CA -0.442 44.146 45.100 -0.854 0.000 0.974 270 G HN 1.047 nan 8.290 nan 0.000 0.484 271 A N 0.170 122.826 122.820 -0.273 0.000 2.605 271 A HA 0.782 5.102 4.320 0.000 0.000 0.294 271 A C -1.575 176.015 177.584 0.009 0.000 1.062 271 A CA -0.488 51.443 52.037 -0.177 0.000 0.682 271 A CB 1.724 20.337 19.000 -0.646 0.000 1.278 271 A HN 1.443 nan 8.150 nan 0.000 0.410 272 V N 0.204 120.166 119.914 0.080 0.000 2.760 272 V HA 0.890 5.010 4.120 0.000 0.000 0.309 272 V C 0.074 176.339 176.094 0.285 0.000 1.077 272 V CA 0.097 62.541 62.300 0.241 0.000 0.910 272 V CB 1.637 33.591 31.823 0.218 0.000 1.008 272 V HN 1.952 nan 8.190 nan 0.000 0.424 273 A N 4.066 127.130 122.820 0.407 0.000 2.549 273 A HA 0.851 5.171 4.320 0.000 0.000 0.297 273 A C -0.878 176.792 177.584 0.142 0.000 1.061 273 A CA -0.787 51.434 52.037 0.306 0.000 0.690 273 A CB 1.875 21.092 19.000 0.361 0.000 1.287 273 A HN 0.774 nan 8.150 nan 0.000 0.402 274 R N 1.047 121.464 120.500 -0.137 0.000 2.428 274 R HA 0.395 4.735 4.340 0.000 0.000 0.294 274 R C -0.316 175.833 176.300 -0.251 0.000 1.000 274 R CA -0.501 55.239 56.100 -0.600 0.000 0.960 274 R CB 0.938 30.842 30.300 -0.660 0.000 1.076 274 R HN 0.724 nan 8.270 nan 0.000 0.475 275 K N 5.817 126.066 120.400 -0.253 0.000 2.285 275 K HA 0.253 4.573 4.320 0.000 0.000 0.286 275 K C -2.242 174.295 176.600 -0.106 0.000 1.072 275 K CA -1.786 54.431 56.287 -0.117 0.000 0.913 275 K CB 1.018 33.469 32.500 -0.082 0.000 1.067 275 K HN 0.317 nan 8.250 nan 0.000 0.479 276 P HA 0.000 nan 4.420 nan 0.000 0.216 276 P CA 0.000 63.074 63.100 -0.044 0.000 0.800 276 P CB 0.000 31.687 31.700 -0.022 0.000 0.726