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 2iyp_1_B DATA FIRST_RESID 0 DATA SEQUENCE HMAQANFGVV GMAVMGKNLA LNVESRGYTV AIYNRTTSKT EEVFKEHQDK DATA SEQUENCE NLVFTKTLEE FVGSLEKPRR IMLMVQAGAA TDATIKSLLP LLDIGDILID DATA SEQUENCE GGNTHFPDTM RRNAELADSG INFIGTGVSG GEKGALLGPS MMPGGQKEAY DATA SEQUENCE DLVAPIFEQI AAKAPQDGKP CVAYMGANGA GHYVKMVHNG IEYGDMQLIA DATA SEQUENCE ESYDLLKRIL GLSNAEIQAI FEEWNEGELD SYLIEITKEV LKRKDDEGEG DATA SEQUENCE YIVDKILDKA GNKGTGKWTS ESALDLGVPL PLITESVFAR YISTYKDERV DATA SEQUENCE KASKVLSGPA LDFSGDKKEV IEKIRKALYF SKIMSYAQGF AQLRKASEEF DATA SEQUENCE DWDLPYGTIA QIWRAGCIIR AEFLQNITDA FDKDSELENL LLDDYFVDIT DATA SEQUENCE KRYQEAVRDV VSLAVQAGTP IPTFTSAISY YDSYRSENLP ANLIQAQRDY DATA SEQUENCE FGAHTYERTD KAGIFHYDWY T 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.332 175.328 0.007 0.000 0.993 0 H CA 0.000 56.062 56.048 0.024 0.000 1.023 0 H CB 0.000 29.782 29.762 0.033 0.000 1.292 1 M N 1.546 121.206 119.600 0.101 0.000 2.219 1 M HA 0.284 4.764 4.480 0.001 0.000 0.353 1 M C 0.898 177.212 176.300 0.025 0.000 1.304 1 M CA 1.179 56.507 55.300 0.046 0.000 1.115 1 M CB 0.024 32.641 32.600 0.027 0.000 1.664 1 M HN 0.417 nan 8.290 nan 0.000 0.459 2 A N 4.219 127.040 122.820 0.001 0.000 2.798 2 A HA -0.253 4.068 4.320 0.001 0.000 0.282 2 A C 1.150 178.738 177.584 0.006 0.000 1.464 2 A CA 1.675 53.705 52.037 -0.012 0.000 0.844 2 A CB -1.970 17.022 19.000 -0.014 0.000 1.006 2 A HN 0.945 nan 8.150 nan 0.000 0.577 3 Q N -1.280 118.539 119.800 0.031 0.000 2.212 3 Q HA 0.259 4.599 4.340 0.001 0.000 0.199 3 Q C 1.161 177.197 176.000 0.060 0.000 0.950 3 Q CA 0.974 56.810 55.803 0.055 0.000 0.863 3 Q CB 0.076 28.877 28.738 0.105 0.000 0.944 3 Q HN 1.190 nan 8.270 nan 0.000 0.465 4 A N 0.347 123.191 122.820 0.040 0.000 2.310 4 A HA 0.230 4.551 4.320 0.001 0.000 0.299 4 A C -0.081 177.530 177.584 0.044 0.000 1.147 4 A CA -0.477 51.591 52.037 0.053 0.000 0.818 4 A CB 0.427 19.438 19.000 0.018 0.000 1.096 4 A HN 0.345 nan 8.150 nan 0.000 0.495 5 N N 0.094 118.861 118.700 0.111 0.000 2.376 5 N HA 0.175 4.916 4.740 0.001 0.000 0.177 5 N C -0.559 175.021 175.510 0.115 0.000 1.024 5 N CA 0.776 53.897 53.050 0.118 0.000 0.893 5 N CB 0.223 38.843 38.487 0.222 0.000 0.980 5 N HN 0.636 nan 8.380 nan 0.000 0.439 6 F N -0.407 119.503 119.950 -0.067 0.000 2.654 6 F HA 0.579 5.106 4.527 0.001 0.000 0.308 6 F C -0.945 174.838 175.800 -0.028 0.000 1.108 6 F CA -0.870 57.084 58.000 -0.078 0.000 0.957 6 F CB 1.641 40.567 39.000 -0.124 0.000 1.309 6 F HN -0.173 nan 8.300 nan 0.000 0.446 7 G N 2.201 110.804 108.800 -0.329 0.000 2.563 7 G HA2 0.650 4.610 3.960 0.001 0.000 0.302 7 G HA3 0.650 4.610 3.960 0.001 0.000 0.302 7 G C -2.366 172.619 174.900 0.142 0.000 1.301 7 G CA -0.891 44.198 45.100 -0.018 0.000 0.965 7 G HN 0.619 nan 8.290 nan 0.000 0.480 8 V N 0.727 120.878 119.914 0.395 0.000 2.638 8 V HA 0.510 4.630 4.120 0.001 0.000 0.306 8 V C -0.509 175.667 176.094 0.137 0.000 1.052 8 V CA -0.699 61.759 62.300 0.262 0.000 0.885 8 V CB 1.845 33.819 31.823 0.250 0.000 0.999 8 V HN 0.589 nan 8.190 nan 0.000 0.424 9 V N 3.189 123.108 119.914 0.010 0.000 2.384 9 V HA 0.934 5.055 4.120 0.001 0.000 0.287 9 V C 0.461 176.537 176.094 -0.030 0.000 1.020 9 V CA 0.244 62.485 62.300 -0.098 0.000 0.850 9 V CB 1.232 32.967 31.823 -0.148 0.000 0.987 9 V HN 1.309 nan 8.190 nan 0.000 0.436 10 G N 5.678 114.440 108.800 -0.065 0.000 3.152 10 G HA2 -0.071 3.889 3.960 0.001 0.000 0.666 10 G HA3 -0.071 3.889 3.960 0.001 0.000 0.666 10 G C -0.540 174.343 174.900 -0.029 0.000 1.205 10 G CA -0.766 44.306 45.100 -0.047 0.000 1.178 10 G HN 0.409 nan 8.290 nan 0.000 0.510 11 M N 1.604 121.172 119.600 -0.054 0.000 2.655 11 M HA 0.369 4.850 4.480 0.001 0.000 0.311 11 M C 1.358 177.656 176.300 -0.003 0.000 1.229 11 M CA 0.049 55.339 55.300 -0.017 0.000 0.972 11 M CB 0.084 32.670 32.600 -0.023 0.000 1.366 11 M HN 0.951 nan 8.290 nan 0.000 0.500 12 A N 0.524 123.340 122.820 -0.006 0.000 2.387 12 A HA 0.258 4.578 4.320 0.001 0.000 0.251 12 A C 1.617 179.210 177.584 0.016 0.000 1.113 12 A CA -0.188 51.852 52.037 0.004 0.000 0.794 12 A CB 0.330 19.331 19.000 0.002 0.000 1.069 12 A HN 0.219 nan 8.150 nan 0.000 0.506 13 V N 0.412 120.337 119.914 0.017 0.000 2.324 13 V HA -0.307 3.813 4.120 0.001 0.000 0.250 13 V C 2.515 178.620 176.094 0.018 0.000 1.060 13 V CA 2.251 64.564 62.300 0.021 0.000 1.042 13 V CB -0.934 30.900 31.823 0.019 0.000 0.650 13 V HN 0.794 nan 8.190 nan 0.000 0.450 14 M N 0.362 119.972 119.600 0.016 0.000 2.084 14 M HA -0.126 4.354 4.480 0.001 0.000 0.259 14 M C 2.417 178.730 176.300 0.022 0.000 1.072 14 M CA 2.438 57.747 55.300 0.015 0.000 1.107 14 M CB -1.868 30.742 32.600 0.017 0.000 1.299 14 M HN 0.455 nan 8.290 nan 0.000 0.413 15 G N 0.095 108.913 108.800 0.031 0.000 2.459 15 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 15 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 15 G C 1.672 176.602 174.900 0.050 0.000 1.183 15 G CA 1.354 46.483 45.100 0.048 0.000 0.776 15 G HN 0.496 nan 8.290 nan 0.000 0.552 16 K N 0.338 120.760 120.400 0.038 0.000 2.034 16 K HA -0.244 4.077 4.320 0.001 0.000 0.214 16 K C 2.350 178.955 176.600 0.008 0.000 1.051 16 K CA 1.820 58.128 56.287 0.034 0.000 0.931 16 K CB -0.315 32.208 32.500 0.038 0.000 0.715 16 K HN 0.181 nan 8.250 nan 0.000 0.446 17 N N 0.993 119.695 118.700 0.002 0.000 2.149 17 N HA -0.180 4.561 4.740 0.001 0.000 0.188 17 N C 1.743 177.244 175.510 -0.014 0.000 1.019 17 N CA 1.009 54.050 53.050 -0.015 0.000 0.857 17 N CB -0.340 38.142 38.487 -0.007 0.000 0.997 17 N HN 0.176 nan 8.380 nan 0.000 0.426 18 L N 0.775 122.001 121.223 0.006 0.000 2.027 18 L HA -0.032 4.308 4.340 0.001 0.000 0.206 18 L C 2.074 178.962 176.870 0.031 0.000 1.074 18 L CA 1.580 56.425 54.840 0.009 0.000 0.745 18 L CB -0.811 41.269 42.059 0.035 0.000 0.898 18 L HN 0.137 nan 8.230 nan 0.000 0.433 19 A N -0.710 122.153 122.820 0.071 0.000 1.940 19 A HA -0.210 4.110 4.320 0.001 0.000 0.219 19 A C 2.269 179.882 177.584 0.048 0.000 1.176 19 A CA 2.101 54.200 52.037 0.104 0.000 0.631 19 A CB -0.907 18.169 19.000 0.127 0.000 0.814 19 A HN 0.494 nan 8.150 nan 0.000 0.446 20 L N -0.562 120.654 121.223 -0.013 0.000 2.056 20 L HA -0.173 4.167 4.340 0.001 0.000 0.207 20 L C 2.605 179.457 176.870 -0.030 0.000 1.078 20 L CA 1.253 56.054 54.840 -0.064 0.000 0.749 20 L CB -0.550 41.413 42.059 -0.159 0.000 0.901 20 L HN 0.461 nan 8.230 nan 0.000 0.433 21 N N 0.341 119.026 118.700 -0.025 0.000 2.036 21 N HA -0.181 4.559 4.740 0.001 0.000 0.195 21 N C 1.776 177.283 175.510 -0.005 0.000 1.037 21 N CA 1.799 54.836 53.050 -0.022 0.000 0.855 21 N CB -0.266 38.198 38.487 -0.038 0.000 1.033 21 N HN 0.052 nan 8.380 nan 0.000 0.423 22 V N 1.722 121.624 119.914 -0.019 0.000 2.295 22 V HA -0.151 3.970 4.120 0.001 0.000 0.246 22 V C 2.564 178.729 176.094 0.119 0.000 1.049 22 V CA 1.730 64.013 62.300 -0.028 0.000 1.024 22 V CB -0.633 31.074 31.823 -0.193 0.000 0.648 22 V HN 0.410 nan 8.190 nan 0.000 0.447 23 E N 1.056 121.318 120.200 0.103 0.000 2.070 23 E HA -0.265 4.085 4.350 0.001 0.000 0.197 23 E C 2.443 179.094 176.600 0.085 0.000 1.004 23 E CA 2.119 58.593 56.400 0.123 0.000 0.805 23 E CB -0.314 29.439 29.700 0.089 0.000 0.744 23 E HN 0.714 nan 8.360 nan 0.000 0.451 24 S N 0.202 115.930 115.700 0.047 0.000 2.465 24 S HA -0.092 4.379 4.470 0.001 0.000 0.241 24 S C 1.547 176.155 174.600 0.013 0.000 1.000 24 S CA 0.526 58.739 58.200 0.021 0.000 0.964 24 S CB -0.208 62.996 63.200 0.008 0.000 0.763 24 S HN 0.142 nan 8.310 nan 0.000 0.512 25 R N 1.213 121.743 120.500 0.050 0.000 2.313 25 R HA 0.282 4.623 4.340 0.001 0.000 0.199 25 R C 1.451 177.636 176.300 -0.191 0.000 0.958 25 R CA 0.511 56.624 56.100 0.022 0.000 1.047 25 R CB -1.074 29.324 30.300 0.165 0.000 0.955 25 R HN 0.684 nan 8.270 nan 0.000 0.481 26 G N 0.293 108.961 108.800 -0.220 0.000 2.181 26 G HA2 -0.219 3.742 3.960 0.001 0.000 0.152 26 G HA3 -0.219 3.742 3.960 0.001 0.000 0.152 26 G C -0.715 173.863 174.900 -0.537 0.000 1.026 26 G CA -0.597 44.276 45.100 -0.379 0.000 0.699 26 G HN 0.232 nan 8.290 nan 0.000 0.497 27 Y N -0.186 120.123 120.300 0.016 0.000 2.562 27 Y HA 0.717 5.267 4.550 0.001 0.000 0.343 27 Y C 0.837 176.772 175.900 0.059 0.000 1.025 27 Y CA -0.758 57.363 58.100 0.034 0.000 1.082 27 Y CB 1.738 40.217 38.460 0.031 0.000 1.264 27 Y HN 0.059 nan 8.280 nan 0.000 0.478 28 T N 2.361 117.062 114.554 0.246 0.000 2.856 28 T HA 0.548 4.898 4.350 0.001 0.000 0.292 28 T C -0.830 174.001 174.700 0.217 0.000 0.980 28 T CA -0.451 61.766 62.100 0.196 0.000 1.091 28 T CB 0.501 69.463 68.868 0.157 0.000 0.936 28 T HN 0.329 nan 8.240 nan 0.000 0.503 29 V N 2.465 122.504 119.914 0.209 0.000 2.577 29 V HA 0.671 4.792 4.120 0.001 0.000 0.303 29 V C -0.018 176.199 176.094 0.204 0.000 1.042 29 V CA -1.160 61.273 62.300 0.223 0.000 0.872 29 V CB 1.728 33.699 31.823 0.247 0.000 0.998 29 V HN 1.070 nan 8.190 nan 0.000 0.423 30 A N 6.522 129.437 122.820 0.159 0.000 2.301 30 A HA 0.861 5.181 4.320 0.001 0.000 0.298 30 A C -0.292 177.510 177.584 0.364 0.000 1.185 30 A CA -0.390 51.750 52.037 0.171 0.000 0.830 30 A CB 0.307 19.274 19.000 -0.056 0.000 1.112 30 A HN 0.982 nan 8.150 nan 0.000 0.508 31 I N 0.054 120.827 120.570 0.338 0.000 2.433 31 I HA 0.767 4.937 4.170 0.001 0.000 0.292 31 I C -1.035 175.211 176.117 0.216 0.000 1.001 31 I CA -0.835 60.634 61.300 0.280 0.000 1.119 31 I CB 1.635 39.753 38.000 0.196 0.000 1.289 31 I HN 0.646 nan 8.210 nan 0.000 0.438 32 Y N 5.100 125.335 120.300 -0.108 0.000 2.492 32 Y HA 0.618 5.169 4.550 0.001 0.000 0.346 32 Y C -1.522 174.227 175.900 -0.251 0.000 0.997 32 Y CA -0.732 57.191 58.100 -0.294 0.000 1.025 32 Y CB 2.127 40.211 38.460 -0.628 0.000 1.263 32 Y HN 0.822 nan 8.280 nan 0.000 0.454 33 N N 2.792 120.835 118.700 -1.094 0.000 2.284 33 N HA 0.348 5.089 4.740 0.001 0.000 0.289 33 N C 0.397 175.235 175.510 -1.121 0.000 1.179 33 N CA -0.760 51.771 53.050 -0.865 0.000 0.774 33 N CB 1.972 40.223 38.487 -0.393 0.000 1.548 33 N HN 0.794 nan 8.380 nan 0.000 0.473 34 R N 0.488 120.629 120.500 -0.599 0.000 2.083 34 R HA -0.022 4.319 4.340 0.001 0.000 0.237 34 R C -0.302 175.861 176.300 -0.228 0.000 1.137 34 R CA 1.396 57.309 56.100 -0.312 0.000 0.951 34 R CB -0.363 29.866 30.300 -0.117 0.000 0.851 34 R HN 0.585 nan 8.270 nan 0.000 0.434 35 T N 1.018 115.457 114.554 -0.191 0.000 2.875 35 T HA 0.106 4.457 4.350 0.001 0.000 0.307 35 T C 0.621 175.248 174.700 -0.122 0.000 1.013 35 T CA -0.276 61.756 62.100 -0.114 0.000 0.970 35 T CB 1.567 70.395 68.868 -0.067 0.000 0.986 35 T HN 0.194 nan 8.240 nan 0.000 0.536 36 T N 2.909 117.401 114.554 -0.104 0.000 2.685 36 T HA -0.201 4.149 4.350 0.001 0.000 0.268 36 T C 2.371 177.083 174.700 0.021 0.000 1.034 36 T CA 2.123 64.181 62.100 -0.070 0.000 1.149 36 T CB -0.353 68.512 68.868 -0.005 0.000 0.860 36 T HN 0.778 nan 8.240 nan 0.000 0.449 37 S N 0.849 116.567 115.700 0.031 0.000 2.465 37 S HA -0.119 4.351 4.470 0.001 0.000 0.241 37 S C 1.772 176.408 174.600 0.059 0.000 1.000 37 S CA 1.183 59.417 58.200 0.058 0.000 0.964 37 S CB -0.229 62.993 63.200 0.036 0.000 0.763 37 S HN 0.426 nan 8.310 nan 0.000 0.512 38 K N 1.402 121.815 120.400 0.023 0.000 2.044 38 K HA 0.032 4.352 4.320 0.001 0.000 0.204 38 K C 2.252 178.890 176.600 0.063 0.000 1.045 38 K CA 1.522 57.824 56.287 0.025 0.000 0.951 38 K CB -0.662 31.825 32.500 -0.021 0.000 0.738 38 K HN 0.397 nan 8.250 nan 0.000 0.443 39 T N 0.989 115.558 114.554 0.024 0.000 2.597 39 T HA -0.251 4.100 4.350 0.001 0.000 0.267 39 T C 1.650 176.549 174.700 0.333 0.000 1.053 39 T CA 1.856 63.996 62.100 0.067 0.000 1.165 39 T CB -0.434 68.334 68.868 -0.168 0.000 0.863 39 T HN 0.402 nan 8.240 nan 0.000 0.427 40 E N 0.985 121.460 120.200 0.459 0.000 2.058 40 E HA -0.248 4.102 4.350 0.001 0.000 0.194 40 E C 2.313 179.086 176.600 0.287 0.000 0.997 40 E CA 1.460 58.160 56.400 0.500 0.000 0.801 40 E CB -0.146 29.753 29.700 0.331 0.000 0.746 40 E HN 0.618 nan 8.360 nan 0.000 0.450 41 E N -0.293 120.022 120.200 0.192 0.000 2.085 41 E HA -0.191 4.159 4.350 0.001 0.000 0.194 41 E C 2.142 178.836 176.600 0.156 0.000 0.994 41 E CA 1.469 57.948 56.400 0.132 0.000 0.801 41 E CB 0.129 29.883 29.700 0.090 0.000 0.743 41 E HN 0.163 nan 8.360 nan 0.000 0.453 42 V N 0.640 120.677 119.914 0.204 0.000 2.343 42 V HA -0.237 3.883 4.120 0.001 0.000 0.247 42 V C 2.013 178.286 176.094 0.300 0.000 1.051 42 V CA 1.814 64.262 62.300 0.247 0.000 1.036 42 V CB -0.587 31.372 31.823 0.226 0.000 0.654 42 V HN 0.333 nan 8.190 nan 0.000 0.451 43 F N 1.085 121.158 119.950 0.205 0.000 2.095 43 F HA -0.209 4.318 4.527 0.001 0.000 0.298 43 F C 2.384 178.236 175.800 0.086 0.000 1.104 43 F CA 1.994 60.104 58.000 0.184 0.000 1.232 43 F CB -0.234 38.896 39.000 0.217 0.000 0.987 43 F HN 0.007 nan 8.300 nan 0.000 0.475 44 K N -0.169 120.266 120.400 0.059 0.000 2.097 44 K HA -0.205 4.115 4.320 0.001 0.000 0.205 44 K C 2.128 178.639 176.600 -0.149 0.000 1.050 44 K CA 1.512 57.754 56.287 -0.076 0.000 0.938 44 K CB -0.282 32.221 32.500 0.005 0.000 0.718 44 K HN 0.357 nan 8.250 nan 0.000 0.442 45 E N -0.191 119.929 120.200 -0.134 0.000 2.274 45 E HA -0.139 4.211 4.350 0.001 0.000 0.194 45 E C 0.337 176.592 176.600 -0.575 0.000 0.996 45 E CA 0.776 56.987 56.400 -0.315 0.000 0.840 45 E CB 0.320 29.845 29.700 -0.292 0.000 0.772 45 E HN 0.371 nan 8.360 nan 0.000 0.491 46 H N -0.243 118.762 119.070 -0.108 0.000 2.549 46 H HA 0.032 4.588 4.556 0.001 0.000 0.253 46 H C 1.228 176.418 175.328 -0.230 0.000 1.170 46 H CA 0.014 55.994 56.048 -0.112 0.000 0.943 46 H CB 0.812 30.556 29.762 -0.031 0.000 1.849 46 H HN 0.214 nan 8.280 nan 0.000 0.603 47 Q N 1.278 120.889 119.800 -0.315 0.000 2.181 47 Q HA -0.158 4.183 4.340 0.001 0.000 0.205 47 Q C 1.068 176.945 176.000 -0.205 0.000 0.980 47 Q CA 1.806 57.327 55.803 -0.470 0.000 0.862 47 Q CB -0.327 28.151 28.738 -0.433 0.000 0.905 47 Q HN 0.522 nan 8.270 nan 0.000 0.429 48 D N 0.213 120.551 120.400 -0.103 0.000 2.264 48 D HA -0.092 4.548 4.640 0.001 0.000 0.208 48 D C 0.133 176.436 176.300 0.005 0.000 0.966 48 D CA 0.545 54.524 54.000 -0.034 0.000 0.864 48 D CB 0.003 40.791 40.800 -0.019 0.000 0.933 48 D HN 0.057 nan 8.370 nan 0.000 0.499 49 K N 0.842 121.257 120.400 0.025 0.000 2.120 49 K HA 0.155 4.475 4.320 0.001 0.000 0.245 49 K C 0.512 177.157 176.600 0.075 0.000 1.024 49 K CA -0.466 55.855 56.287 0.057 0.000 0.906 49 K CB 0.220 32.767 32.500 0.079 0.000 1.051 49 K HN -0.061 nan 8.250 nan 0.000 0.491 50 N N 1.321 120.082 118.700 0.101 0.000 2.597 50 N HA 0.064 4.804 4.740 0.001 0.000 0.269 50 N C -0.569 175.056 175.510 0.192 0.000 1.204 50 N CA -0.104 53.029 53.050 0.138 0.000 0.947 50 N CB -0.150 38.405 38.487 0.114 0.000 1.258 50 N HN 0.151 nan 8.380 nan 0.000 0.508 51 L N 0.721 122.080 121.223 0.227 0.000 2.397 51 L HA 0.274 4.614 4.340 0.001 0.000 0.271 51 L C 0.373 177.481 176.870 0.397 0.000 1.148 51 L CA -0.406 54.612 54.840 0.297 0.000 0.825 51 L CB 1.121 43.375 42.059 0.326 0.000 1.117 51 L HN -0.127 nan 8.230 nan 0.000 0.456 52 V N 4.342 124.439 119.914 0.306 0.000 2.347 52 V HA 0.257 4.378 4.120 0.001 0.000 0.280 52 V C -0.170 176.014 176.094 0.149 0.000 1.021 52 V CA -0.724 61.708 62.300 0.219 0.000 0.847 52 V CB 1.039 32.942 31.823 0.133 0.000 0.990 52 V HN 0.505 nan 8.190 nan 0.000 0.444 53 F N 5.487 125.323 119.950 -0.190 0.000 2.438 53 F HA 0.562 5.089 4.527 0.001 0.000 0.356 53 F C 0.632 176.322 175.800 -0.184 0.000 1.099 53 F CA 0.072 57.895 58.000 -0.296 0.000 1.185 53 F CB 0.934 39.386 39.000 -0.912 0.000 1.115 53 F HN 0.592 nan 8.300 nan 0.000 0.526 54 T N 2.930 117.132 114.554 -0.587 0.000 2.861 54 T HA 0.385 4.735 4.350 0.001 0.000 0.287 54 T C 0.182 174.656 174.700 -0.378 0.000 1.003 54 T CA -0.917 60.995 62.100 -0.312 0.000 0.977 54 T CB 1.999 70.893 68.868 0.043 0.000 0.996 54 T HN 0.767 nan 8.240 nan 0.000 0.448 55 K N 1.081 121.372 120.400 -0.182 0.000 2.242 55 K HA 0.161 4.481 4.320 0.001 0.000 0.200 55 K C 0.968 177.641 176.600 0.121 0.000 1.050 55 K CA 0.671 56.919 56.287 -0.064 0.000 0.981 55 K CB 0.373 32.889 32.500 0.028 0.000 0.795 55 K HN 0.870 nan 8.250 nan 0.000 0.477 56 T N -2.306 112.286 114.554 0.063 0.000 2.916 56 T HA 0.244 4.594 4.350 0.001 0.000 0.292 56 T C 1.016 175.545 174.700 -0.284 0.000 1.055 56 T CA -0.945 61.149 62.100 -0.009 0.000 1.009 56 T CB 1.369 70.226 68.868 -0.017 0.000 1.118 56 T HN -0.283 nan 8.240 nan 0.000 0.497 57 L N 0.830 121.759 121.223 -0.490 0.000 2.010 57 L HA -0.145 4.195 4.340 0.001 0.000 0.219 57 L C 2.686 179.453 176.870 -0.172 0.000 1.077 57 L CA 2.314 56.856 54.840 -0.496 0.000 0.773 57 L CB -1.699 40.165 42.059 -0.326 0.000 0.892 57 L HN 0.986 nan 8.230 nan 0.000 0.436 58 E N -0.093 120.042 120.200 -0.107 0.000 2.086 58 E HA -0.304 4.047 4.350 0.001 0.000 0.205 58 E C 2.191 178.771 176.600 -0.032 0.000 1.027 58 E CA 2.173 58.543 56.400 -0.051 0.000 0.830 58 E CB -0.110 29.568 29.700 -0.037 0.000 0.751 58 E HN 0.501 nan 8.360 nan 0.000 0.456 59 E N -1.062 119.121 120.200 -0.028 0.000 2.051 59 E HA -0.212 4.138 4.350 0.001 0.000 0.192 59 E C 1.912 178.508 176.600 -0.007 0.000 0.991 59 E CA 1.196 57.588 56.400 -0.013 0.000 0.799 59 E CB -0.281 29.412 29.700 -0.012 0.000 0.748 59 E HN 0.363 nan 8.360 nan 0.000 0.449 60 F N 0.823 120.678 119.950 -0.158 0.000 2.051 60 F HA -0.225 4.303 4.527 0.001 0.000 0.296 60 F C 2.084 177.813 175.800 -0.119 0.000 1.122 60 F CA 1.666 59.576 58.000 -0.151 0.000 1.201 60 F CB -0.514 38.333 39.000 -0.255 0.000 0.978 60 F HN -0.117 nan 8.300 nan 0.000 0.472 61 V N 0.715 120.614 119.914 -0.024 0.000 2.332 61 V HA -0.277 3.844 4.120 0.001 0.000 0.248 61 V C 2.728 178.732 176.094 -0.151 0.000 1.055 61 V CA 1.960 64.192 62.300 -0.113 0.000 1.038 61 V CB -1.857 29.959 31.823 -0.011 0.000 0.651 61 V HN 0.601 nan 8.190 nan 0.000 0.450 62 G N -0.147 108.596 108.800 -0.096 0.000 2.471 62 G HA2 -0.227 3.733 3.960 0.001 0.000 0.219 62 G HA3 -0.227 3.733 3.960 0.001 0.000 0.219 62 G C 1.748 176.600 174.900 -0.081 0.000 1.125 62 G CA 1.180 46.238 45.100 -0.071 0.000 0.775 62 G HN 0.665 nan 8.290 nan 0.000 0.548 63 S N -0.614 115.008 115.700 -0.129 0.000 2.562 63 S HA 0.301 4.772 4.470 0.001 0.000 0.221 63 S C 0.782 175.302 174.600 -0.133 0.000 0.975 63 S CA -0.380 57.758 58.200 -0.104 0.000 0.918 63 S CB -0.125 63.009 63.200 -0.111 0.000 0.772 63 S HN 0.125 nan 8.310 nan 0.000 0.531 64 L N 2.543 123.645 121.223 -0.201 0.000 2.264 64 L HA 0.416 4.756 4.340 0.001 0.000 0.289 64 L C 0.376 177.179 176.870 -0.112 0.000 1.044 64 L CA -0.592 54.131 54.840 -0.194 0.000 0.807 64 L CB 1.108 42.979 42.059 -0.314 0.000 1.192 64 L HN 0.221 nan 8.230 nan 0.000 0.425 65 E N 2.971 123.129 120.200 -0.070 0.000 2.492 65 E HA -0.040 4.310 4.350 0.001 0.000 0.266 65 E C -0.532 176.034 176.600 -0.056 0.000 1.047 65 E CA 0.647 57.021 56.400 -0.043 0.000 0.968 65 E CB 0.632 30.323 29.700 -0.016 0.000 0.960 65 E HN 0.396 nan 8.360 nan 0.000 0.452 66 K N 2.578 122.953 120.400 -0.042 0.000 2.164 66 K HA 0.315 4.635 4.320 0.001 0.000 0.258 66 K C -2.187 174.391 176.600 -0.037 0.000 0.951 66 K CA -1.781 54.479 56.287 -0.044 0.000 0.844 66 K CB 0.980 33.458 32.500 -0.037 0.000 1.099 66 K HN 0.363 nan 8.250 nan 0.000 0.435 67 P HA 0.045 nan 4.420 nan 0.000 0.268 67 P C -0.912 176.347 177.300 -0.068 0.000 1.204 67 P CA -0.009 63.061 63.100 -0.049 0.000 0.768 67 P CB 0.550 32.222 31.700 -0.047 0.000 0.842 68 R N 2.814 123.266 120.500 -0.079 0.000 2.401 68 R HA 0.230 4.570 4.340 0.001 0.000 0.299 68 R C 0.450 176.664 176.300 -0.144 0.000 1.064 68 R CA -0.148 55.881 56.100 -0.118 0.000 1.000 68 R CB 0.629 30.857 30.300 -0.121 0.000 0.973 68 R HN 0.402 nan 8.270 nan 0.000 0.438 69 R N 3.576 123.948 120.500 -0.213 0.000 2.247 69 R HA 0.335 4.676 4.340 0.001 0.000 0.329 69 R C -0.593 175.349 176.300 -0.597 0.000 1.014 69 R CA -0.342 55.565 56.100 -0.322 0.000 0.907 69 R CB 0.789 30.952 30.300 -0.229 0.000 1.146 69 R HN 0.440 nan 8.270 nan 0.000 0.499 70 I N 3.293 123.625 120.570 -0.398 0.000 2.389 70 I HA 0.306 4.476 4.170 0.001 0.000 0.288 70 I C -0.242 175.743 176.117 -0.221 0.000 0.999 70 I CA -0.452 60.682 61.300 -0.277 0.000 1.129 70 I CB 1.884 39.892 38.000 0.012 0.000 1.288 70 I HN 0.410 nan 8.210 nan 0.000 0.444 71 M N 7.220 126.695 119.600 -0.208 0.000 2.180 71 M HA 0.504 4.985 4.480 0.001 0.000 0.350 71 M C -1.334 175.015 176.300 0.081 0.000 1.125 71 M CA -0.441 54.883 55.300 0.039 0.000 1.031 71 M CB 0.870 33.637 32.600 0.279 0.000 1.623 71 M HN 0.421 nan 8.290 nan 0.000 0.451 72 L N 6.363 127.634 121.223 0.079 0.000 2.264 72 L HA 0.388 4.729 4.340 0.001 0.000 0.289 72 L C -0.291 176.632 176.870 0.088 0.000 1.044 72 L CA -0.329 54.559 54.840 0.081 0.000 0.807 72 L CB 1.047 43.166 42.059 0.100 0.000 1.192 72 L HN 0.737 nan 8.230 nan 0.000 0.425 73 M N 5.224 124.867 119.600 0.072 0.000 3.080 73 M HA 0.233 4.714 4.480 0.001 0.000 0.288 73 M C -0.243 176.084 176.300 0.045 0.000 1.224 73 M CA -0.250 55.089 55.300 0.064 0.000 0.787 73 M CB 0.585 33.221 32.600 0.061 0.000 1.368 73 M HN 0.412 nan 8.290 nan 0.000 0.511 74 V N -1.280 118.664 119.914 0.050 0.000 3.302 74 V HA 0.519 4.640 4.120 0.001 0.000 0.316 74 V C 0.286 176.406 176.094 0.043 0.000 1.111 74 V CA -1.010 61.311 62.300 0.035 0.000 1.029 74 V CB 1.286 33.128 31.823 0.031 0.000 1.170 74 V HN 0.617 nan 8.190 nan 0.000 0.452 75 Q N 1.196 121.015 119.800 0.033 0.000 2.300 75 Q HA 0.370 4.710 4.340 0.001 0.000 0.280 75 Q C 0.248 176.278 176.000 0.049 0.000 1.033 75 Q CA 0.081 55.905 55.803 0.036 0.000 0.903 75 Q CB 0.803 29.556 28.738 0.025 0.000 1.195 75 Q HN 1.249 nan 8.270 nan 0.000 0.386 76 A N 3.805 126.661 122.820 0.061 0.000 2.511 76 A HA 0.508 4.828 4.320 0.001 0.000 0.242 76 A C 0.822 178.447 177.584 0.068 0.000 1.069 76 A CA 0.732 52.815 52.037 0.075 0.000 0.763 76 A CB -0.306 18.758 19.000 0.108 0.000 1.001 76 A HN 1.258 nan 8.150 nan 0.000 0.498 77 G N 0.845 109.679 108.800 0.056 0.000 2.443 77 G HA2 0.258 4.218 3.960 0.001 0.000 0.209 77 G HA3 0.258 4.218 3.960 0.001 0.000 0.209 77 G C 1.163 176.078 174.900 0.026 0.000 1.176 77 G CA 0.773 45.898 45.100 0.041 0.000 1.074 77 G HN 1.955 nan 8.290 nan 0.000 0.577 78 A N -0.217 122.615 122.820 0.020 0.000 1.958 78 A HA 0.142 4.463 4.320 0.001 0.000 0.221 78 A C 2.965 180.558 177.584 0.014 0.000 1.178 78 A CA 4.063 56.107 52.037 0.011 0.000 0.642 78 A CB -1.127 17.879 19.000 0.010 0.000 0.816 78 A HN 2.397 nan 8.150 nan 0.000 0.453 79 A N -1.398 121.435 122.820 0.021 0.000 1.902 79 A HA -0.060 4.260 4.320 0.001 0.000 0.217 79 A C 2.311 179.913 177.584 0.030 0.000 1.181 79 A CA 2.253 54.304 52.037 0.022 0.000 0.623 79 A CB -1.108 17.906 19.000 0.023 0.000 0.818 79 A HN 0.454 nan 8.150 nan 0.000 0.443 80 T N 0.101 114.680 114.554 0.040 0.000 2.812 80 T HA -0.093 4.257 4.350 0.001 0.000 0.264 80 T C 1.483 176.210 174.700 0.045 0.000 1.042 80 T CA 1.299 63.435 62.100 0.060 0.000 1.140 80 T CB -0.352 68.569 68.868 0.088 0.000 0.870 80 T HN 0.451 nan 8.240 nan 0.000 0.445 81 D N 1.526 121.937 120.400 0.018 0.000 2.117 81 D HA -0.037 4.603 4.640 0.001 0.000 0.197 81 D C 2.400 178.699 176.300 -0.002 0.000 0.987 81 D CA 1.195 55.191 54.000 -0.007 0.000 0.829 81 D CB -0.348 40.439 40.800 -0.021 0.000 0.961 81 D HN 0.386 nan 8.370 nan 0.000 0.460 82 A N 0.689 123.512 122.820 0.006 0.000 1.865 82 A HA -0.197 4.123 4.320 0.001 0.000 0.217 82 A C 2.434 180.025 177.584 0.011 0.000 1.191 82 A CA 2.328 54.369 52.037 0.007 0.000 0.623 82 A CB -1.024 17.982 19.000 0.010 0.000 0.826 82 A HN 0.206 nan 8.150 nan 0.000 0.444 83 T N 0.193 114.761 114.554 0.022 0.000 2.746 83 T HA -0.093 4.257 4.350 0.001 0.000 0.267 83 T C 1.802 176.517 174.700 0.024 0.000 1.039 83 T CA 1.491 63.607 62.100 0.027 0.000 1.142 83 T CB -0.429 68.463 68.868 0.040 0.000 0.866 83 T HN 0.406 nan 8.240 nan 0.000 0.444 84 I N 0.818 121.409 120.570 0.034 0.000 2.163 84 I HA -0.217 3.953 4.170 0.001 0.000 0.243 84 I C 2.621 178.741 176.117 0.006 0.000 1.085 84 I CA 1.405 62.724 61.300 0.032 0.000 1.347 84 I CB -0.278 37.730 38.000 0.014 0.000 1.044 84 I HN 0.178 nan 8.210 nan 0.000 0.408 85 K N 0.442 120.838 120.400 -0.006 0.000 2.152 85 K HA -0.163 4.157 4.320 0.001 0.000 0.206 85 K C 2.155 178.749 176.600 -0.010 0.000 1.048 85 K CA 1.566 57.846 56.287 -0.012 0.000 0.933 85 K CB 0.019 32.511 32.500 -0.013 0.000 0.721 85 K HN 0.152 nan 8.250 nan 0.000 0.447 86 S N 0.532 116.227 115.700 -0.008 0.000 2.453 86 S HA 0.034 4.504 4.470 0.001 0.000 0.231 86 S C 1.576 176.160 174.600 -0.027 0.000 1.005 86 S CA 0.604 58.793 58.200 -0.018 0.000 0.949 86 S CB 0.070 63.259 63.200 -0.019 0.000 0.774 86 S HN 0.255 nan 8.310 nan 0.000 0.510 87 L N 0.047 121.262 121.223 -0.014 0.000 2.357 87 L HA 0.154 4.494 4.340 0.001 0.000 0.211 87 L C 2.033 178.904 176.870 0.002 0.000 1.075 87 L CA 0.137 54.973 54.840 -0.005 0.000 0.830 87 L CB -0.285 41.786 42.059 0.020 0.000 0.996 87 L HN 0.241 nan 8.230 nan 0.000 0.467 88 L N 1.298 122.522 121.223 0.002 0.000 2.021 88 L HA -0.167 4.173 4.340 0.001 0.000 0.215 88 L C -0.352 176.516 176.870 -0.004 0.000 1.074 88 L CA 2.410 57.250 54.840 0.001 0.000 0.760 88 L CB -1.485 40.570 42.059 -0.006 0.000 0.889 88 L HN 0.106 nan 8.230 nan 0.000 0.433 89 P HA -0.151 nan 4.420 nan 0.000 0.215 89 P C 1.992 179.286 177.300 -0.011 0.000 1.157 89 P CA 1.504 64.598 63.100 -0.010 0.000 0.868 89 P CB -0.074 31.619 31.700 -0.013 0.000 0.788 90 L N -2.164 119.052 121.223 -0.013 0.000 2.362 90 L HA -0.048 4.292 4.340 0.001 0.000 0.219 90 L C 1.433 178.296 176.870 -0.012 0.000 1.134 90 L CA 0.356 55.188 54.840 -0.015 0.000 0.807 90 L CB -0.874 41.174 42.059 -0.019 0.000 0.927 90 L HN -0.034 nan 8.230 nan 0.000 0.447 91 L N -0.457 120.762 121.223 -0.006 0.000 2.475 91 L HA 0.184 4.524 4.340 0.001 0.000 0.253 91 L C -0.120 176.745 176.870 -0.010 0.000 1.198 91 L CA 0.011 54.847 54.840 -0.006 0.000 0.814 91 L CB 0.405 42.468 42.059 0.006 0.000 1.134 91 L HN 0.052 nan 8.230 nan 0.000 0.478 92 D N 0.178 120.570 120.400 -0.012 0.000 2.419 92 D HA 0.412 5.052 4.640 0.001 0.000 0.234 92 D C -0.187 176.108 176.300 -0.008 0.000 1.014 92 D CA -0.548 53.445 54.000 -0.012 0.000 0.919 92 D CB 2.421 43.211 40.800 -0.017 0.000 1.366 92 D HN 0.235 nan 8.370 nan 0.000 0.490 93 I N 0.856 121.423 120.570 -0.006 0.000 2.845 93 I HA 0.001 4.171 4.170 0.001 0.000 0.296 93 I C 1.672 177.786 176.117 -0.005 0.000 1.216 93 I CA 1.007 62.306 61.300 -0.002 0.000 1.438 93 I CB 0.123 38.121 38.000 -0.002 0.000 1.342 93 I HN 0.807 nan 8.210 nan 0.000 0.577 94 G N 3.903 112.702 108.800 -0.000 0.000 2.241 94 G HA2 -0.227 3.733 3.960 0.001 0.000 0.244 94 G HA3 -0.227 3.733 3.960 0.001 0.000 0.244 94 G C 0.097 174.990 174.900 -0.011 0.000 0.998 94 G CA -0.231 44.866 45.100 -0.005 0.000 0.621 94 G HN 0.620 nan 8.290 nan 0.000 0.519 95 D N 0.474 120.868 120.400 -0.011 0.000 2.449 95 D HA 0.388 5.029 4.640 0.001 0.000 0.236 95 D C 0.835 177.131 176.300 -0.006 0.000 1.149 95 D CA 0.482 54.470 54.000 -0.020 0.000 0.878 95 D CB 0.648 41.437 40.800 -0.020 0.000 1.198 95 D HN 0.381 nan 8.370 nan 0.000 0.446 96 I N 2.514 123.066 120.570 -0.030 0.000 2.359 96 I HA 0.174 4.344 4.170 0.001 0.000 0.284 96 I C 0.006 176.101 176.117 -0.036 0.000 1.018 96 I CA -0.526 60.759 61.300 -0.026 0.000 1.173 96 I CB 0.808 38.772 38.000 -0.060 0.000 1.326 96 I HN 0.029 nan 8.210 nan 0.000 0.462 97 L N 7.031 128.270 121.223 0.027 0.000 2.371 97 L HA 0.505 4.845 4.340 0.001 0.000 0.272 97 L C -0.329 176.453 176.870 -0.145 0.000 1.124 97 L CA -0.374 54.483 54.840 0.029 0.000 0.816 97 L CB 1.104 43.301 42.059 0.230 0.000 1.129 97 L HN 0.495 nan 8.230 nan 0.000 0.448 98 I N 2.044 122.527 120.570 -0.145 0.000 2.447 98 I HA 0.192 4.362 4.170 0.001 0.000 0.287 98 I C -0.827 175.205 176.117 -0.142 0.000 1.023 98 I CA -0.507 60.678 61.300 -0.191 0.000 1.083 98 I CB 2.012 40.038 38.000 0.043 0.000 1.245 98 I HN 0.450 nan 8.210 nan 0.000 0.434 99 D N 5.130 125.356 120.400 -0.290 0.000 2.443 99 D HA 0.318 4.958 4.640 0.001 0.000 0.221 99 D C 0.827 177.183 176.300 0.094 0.000 1.097 99 D CA -0.293 53.706 54.000 -0.002 0.000 0.865 99 D CB 1.435 42.339 40.800 0.174 0.000 1.034 99 D HN 0.686 nan 8.370 nan 0.000 0.511 100 G N 2.682 111.550 108.800 0.114 0.000 3.518 100 G HA2 0.369 4.330 3.960 0.001 0.000 0.273 100 G HA3 0.369 4.330 3.960 0.001 0.000 0.273 100 G C 0.674 175.661 174.900 0.146 0.000 1.199 100 G CA -0.264 44.903 45.100 0.111 0.000 0.899 100 G HN 0.515 nan 8.290 nan 0.000 0.533 101 G N -0.397 108.518 108.800 0.193 0.000 2.528 101 G HA2 0.225 4.186 3.960 0.001 0.000 0.289 101 G HA3 0.225 4.186 3.960 0.001 0.000 0.289 101 G C 0.054 175.044 174.900 0.150 0.000 1.192 101 G CA -0.807 44.377 45.100 0.140 0.000 0.921 101 G HN 0.220 nan 8.290 nan 0.000 0.512 102 N N 0.543 119.304 118.700 0.102 0.000 2.971 102 N HA 0.040 4.780 4.740 0.001 0.000 0.294 102 N C -0.223 175.371 175.510 0.140 0.000 1.210 102 N CA -0.124 52.995 53.050 0.115 0.000 1.157 102 N CB -0.030 38.508 38.487 0.084 0.000 1.450 102 N HN 0.251 nan 8.380 nan 0.000 0.527 103 T N 1.170 115.650 114.554 -0.124 0.000 2.889 103 T HA 0.042 4.392 4.350 0.001 0.000 0.291 103 T C -0.034 174.540 174.700 -0.210 0.000 0.995 103 T CA -0.290 61.661 62.100 -0.249 0.000 1.092 103 T CB 1.149 69.627 68.868 -0.651 0.000 0.954 103 T HN 0.347 nan 8.240 nan 0.000 0.506 104 H N 3.269 122.080 119.070 -0.432 0.000 2.767 104 H HA 0.081 4.637 4.556 0.001 0.000 0.316 104 H C 1.118 176.166 175.328 -0.466 0.000 1.059 104 H CA -0.729 54.790 56.048 -0.882 0.000 1.461 104 H CB 0.330 29.359 29.762 -1.221 0.000 1.475 104 H HN 0.747 nan 8.280 nan 0.000 0.531 105 F N 5.607 125.273 119.950 -0.472 0.000 2.115 105 F HA -0.080 4.447 4.527 0.001 0.000 0.300 105 F C -1.356 174.277 175.800 -0.280 0.000 1.092 105 F CA 0.199 58.057 58.000 -0.237 0.000 1.245 105 F CB -1.914 37.075 39.000 -0.018 0.000 0.995 105 F HN 0.465 nan 8.300 nan 0.000 0.481 106 P HA -0.142 nan 4.420 nan 0.000 0.216 106 P C 1.092 178.151 177.300 -0.401 0.000 1.150 106 P CA 2.041 64.653 63.100 -0.813 0.000 0.837 106 P CB -0.130 31.016 31.700 -0.923 0.000 0.786 107 D N -1.130 119.051 120.400 -0.365 0.000 2.149 107 D HA -0.145 4.496 4.640 0.001 0.000 0.194 107 D C 1.816 178.062 176.300 -0.090 0.000 1.001 107 D CA 1.572 55.462 54.000 -0.183 0.000 0.849 107 D CB -1.066 39.655 40.800 -0.133 0.000 0.939 107 D HN 0.174 nan 8.370 nan 0.000 0.449 108 T N 0.462 115.023 114.554 0.011 0.000 2.857 108 T HA -0.017 4.334 4.350 0.001 0.000 0.266 108 T C 2.102 176.875 174.700 0.121 0.000 1.048 108 T CA 0.614 62.843 62.100 0.216 0.000 1.139 108 T CB -0.064 69.070 68.868 0.443 0.000 0.874 108 T HN 0.126 nan 8.240 nan 0.000 0.455 109 M N 0.551 120.183 119.600 0.054 0.000 2.159 109 M HA -0.060 4.420 4.480 0.001 0.000 0.263 109 M C 2.519 178.811 176.300 -0.013 0.000 1.063 109 M CA 1.367 56.699 55.300 0.053 0.000 1.110 109 M CB -0.249 32.365 32.600 0.024 0.000 1.374 109 M HN 0.119 nan 8.290 nan 0.000 0.411 110 R N 0.497 120.950 120.500 -0.079 0.000 2.062 110 R HA -0.103 4.237 4.340 0.001 0.000 0.229 110 R C 2.117 178.332 176.300 -0.141 0.000 1.128 110 R CA 1.400 57.440 56.100 -0.100 0.000 0.960 110 R CB -0.049 30.179 30.300 -0.119 0.000 0.855 110 R HN 0.274 nan 8.270 nan 0.000 0.432 111 R N 0.692 121.056 120.500 -0.227 0.000 2.066 111 R HA -0.108 4.232 4.340 0.001 0.000 0.232 111 R C 2.385 178.417 176.300 -0.447 0.000 1.131 111 R CA 1.497 57.333 56.100 -0.440 0.000 0.955 111 R CB -0.764 29.072 30.300 -0.773 0.000 0.851 111 R HN 0.411 nan 8.270 nan 0.000 0.432 112 N N 1.292 119.823 118.700 -0.281 0.000 2.049 112 N HA -0.246 4.494 4.740 0.001 0.000 0.198 112 N C 1.637 177.147 175.510 -0.000 0.000 1.030 112 N CA 2.246 55.304 53.050 0.014 0.000 0.870 112 N CB -0.094 38.507 38.487 0.191 0.000 1.045 112 N HN 0.246 nan 8.380 nan 0.000 0.434 113 A N 0.689 123.499 122.820 -0.016 0.000 1.873 113 A HA -0.114 4.207 4.320 0.001 0.000 0.215 113 A C 2.163 179.729 177.584 -0.030 0.000 1.186 113 A CA 1.486 53.519 52.037 -0.006 0.000 0.616 113 A CB -0.645 18.354 19.000 -0.002 0.000 0.823 113 A HN 0.564 nan 8.150 nan 0.000 0.442 114 E N -0.066 120.093 120.200 -0.068 0.000 2.049 114 E HA -0.201 4.150 4.350 0.001 0.000 0.198 114 E C 1.915 178.482 176.600 -0.056 0.000 1.007 114 E CA 1.536 57.894 56.400 -0.069 0.000 0.809 114 E CB -0.361 29.279 29.700 -0.100 0.000 0.749 114 E HN 0.628 nan 8.360 nan 0.000 0.450 115 L N 0.364 121.541 121.223 -0.076 0.000 2.201 115 L HA -0.094 4.246 4.340 0.001 0.000 0.212 115 L C 2.508 179.380 176.870 0.004 0.000 1.105 115 L CA 0.580 55.397 54.840 -0.038 0.000 0.775 115 L CB -0.432 41.602 42.059 -0.041 0.000 0.913 115 L HN 0.139 nan 8.230 nan 0.000 0.440 116 A N -0.010 122.818 122.820 0.013 0.000 2.019 116 A HA -0.219 4.102 4.320 0.001 0.000 0.219 116 A C 1.876 179.469 177.584 0.015 0.000 1.164 116 A CA 1.828 53.882 52.037 0.028 0.000 0.644 116 A CB -0.382 18.641 19.000 0.038 0.000 0.805 116 A HN 0.337 nan 8.150 nan 0.000 0.449 117 D N -0.259 120.143 120.400 0.003 0.000 2.144 117 D HA -0.038 4.602 4.640 0.001 0.000 0.200 117 D C 1.761 178.060 176.300 -0.001 0.000 0.978 117 D CA 1.372 55.372 54.000 -0.000 0.000 0.833 117 D CB -0.228 40.567 40.800 -0.007 0.000 0.961 117 D HN 0.342 nan 8.370 nan 0.000 0.470 118 S N -1.002 114.697 115.700 -0.002 0.000 2.603 118 S HA 0.246 4.716 4.470 0.001 0.000 0.220 118 S C 1.617 176.221 174.600 0.005 0.000 0.967 118 S CA 0.581 58.781 58.200 -0.001 0.000 0.920 118 S CB 0.541 63.738 63.200 -0.005 0.000 0.773 118 S HN 0.462 nan 8.310 nan 0.000 0.529 119 G N 1.261 110.067 108.800 0.010 0.000 2.241 119 G HA2 -0.216 3.745 3.960 0.001 0.000 0.244 119 G HA3 -0.216 3.745 3.960 0.001 0.000 0.244 119 G C 0.094 175.008 174.900 0.023 0.000 0.998 119 G CA -0.207 44.901 45.100 0.014 0.000 0.621 119 G HN 0.432 nan 8.290 nan 0.000 0.519 120 I N 2.298 122.886 120.570 0.030 0.000 2.496 120 I HA 0.216 4.386 4.170 0.001 0.000 0.285 120 I C 0.452 176.617 176.117 0.081 0.000 1.080 120 I CA -0.817 60.512 61.300 0.049 0.000 1.404 120 I CB 0.211 38.245 38.000 0.056 0.000 1.403 120 I HN 0.147 nan 8.210 nan 0.000 0.539 121 N N 5.744 124.495 118.700 0.085 0.000 2.530 121 N HA 0.306 5.047 4.740 0.001 0.000 0.277 121 N C -1.010 174.621 175.510 0.200 0.000 1.168 121 N CA -0.106 53.013 53.050 0.114 0.000 0.979 121 N CB 1.797 40.322 38.487 0.063 0.000 1.141 121 N HN 0.409 nan 8.380 nan 0.000 0.459 122 F N 2.131 122.101 119.950 0.033 0.000 2.579 122 F HA 0.401 4.929 4.527 0.001 0.000 0.325 122 F C -1.121 174.707 175.800 0.046 0.000 1.162 122 F CA -0.891 57.132 58.000 0.039 0.000 0.946 122 F CB 0.862 39.885 39.000 0.038 0.000 1.211 122 F HN 0.233 nan 8.300 nan 0.000 0.447 123 I N 5.628 125.927 120.570 -0.451 0.000 2.337 123 I HA 0.292 4.462 4.170 0.001 0.000 0.285 123 I C 0.715 176.517 176.117 -0.525 0.000 1.041 123 I CA -0.390 60.722 61.300 -0.314 0.000 1.199 123 I CB 0.711 38.647 38.000 -0.107 0.000 1.370 123 I HN 0.738 nan 8.210 nan 0.000 0.470 124 G N 4.959 113.508 108.800 -0.417 0.000 2.354 124 G HA2 0.400 4.360 3.960 0.001 0.000 0.266 124 G HA3 0.400 4.360 3.960 0.001 0.000 0.266 124 G C -0.140 174.366 174.900 -0.657 0.000 1.242 124 G CA 0.108 44.953 45.100 -0.425 0.000 0.923 124 G HN 0.555 nan 8.290 nan 0.000 0.476 125 T N 1.546 115.708 114.554 -0.654 0.000 2.937 125 T HA 0.554 4.904 4.350 0.001 0.000 0.297 125 T C 0.479 175.023 174.700 -0.260 0.000 0.991 125 T CA -0.275 61.607 62.100 -0.363 0.000 0.990 125 T CB 1.846 70.699 68.868 -0.024 0.000 0.991 125 T HN 0.704 nan 8.240 nan 0.000 0.440 126 G N 1.331 110.019 108.800 -0.188 0.000 2.390 126 G HA2 0.524 4.485 3.960 0.001 0.000 0.270 126 G HA3 0.524 4.485 3.960 0.001 0.000 0.270 126 G C -0.614 174.249 174.900 -0.063 0.000 1.211 126 G CA -0.363 44.737 45.100 -0.001 0.000 0.842 126 G HN 0.658 nan 8.290 nan 0.000 0.519 127 V N 2.546 122.434 119.914 -0.043 0.000 2.357 127 V HA 0.301 4.421 4.120 0.001 0.000 0.281 127 V C 0.224 176.267 176.094 -0.084 0.000 1.015 127 V CA -0.685 61.562 62.300 -0.088 0.000 0.827 127 V CB 0.846 32.621 31.823 -0.081 0.000 1.018 127 V HN 0.761 nan 8.190 nan 0.000 0.432 128 S N 2.405 118.029 115.700 -0.127 0.000 2.669 128 S HA 0.735 5.205 4.470 0.001 0.000 0.270 128 S C 1.223 175.784 174.600 -0.065 0.000 1.225 128 S CA 0.400 58.518 58.200 -0.136 0.000 0.991 128 S CB 1.434 64.462 63.200 -0.287 0.000 0.987 128 S HN 1.485 nan 8.310 nan 0.000 0.552 129 G N -0.344 108.441 108.800 -0.024 0.000 2.179 129 G HA2 0.158 4.119 3.960 0.001 0.000 0.220 129 G HA3 0.158 4.119 3.960 0.001 0.000 0.220 129 G C 0.774 175.674 174.900 0.000 0.000 0.990 129 G CA 0.109 45.204 45.100 -0.007 0.000 0.646 129 G HN 1.780 nan 8.290 nan 0.000 0.517 130 G N -0.067 108.733 108.800 0.001 0.000 2.569 130 G HA2 -0.193 3.767 3.960 0.001 0.000 0.259 130 G HA3 -0.193 3.767 3.960 0.001 0.000 0.259 130 G C 0.640 175.540 174.900 0.000 0.000 1.263 130 G CA 0.970 46.074 45.100 0.007 0.000 0.928 130 G HN 0.961 nan 8.290 nan 0.000 0.572 131 E N -0.119 120.084 120.200 0.006 0.000 2.107 131 E HA -0.046 4.304 4.350 0.001 0.000 0.191 131 E C 2.456 179.056 176.600 0.001 0.000 0.982 131 E CA 0.998 57.401 56.400 0.005 0.000 0.809 131 E CB -0.058 29.648 29.700 0.010 0.000 0.756 131 E HN 0.416 nan 8.360 nan 0.000 0.459 132 K N 0.612 121.014 120.400 0.004 0.000 2.057 132 K HA -0.112 4.208 4.320 0.001 0.000 0.207 132 K C 2.227 178.819 176.600 -0.013 0.000 1.049 132 K CA 1.304 57.591 56.287 0.000 0.000 0.931 132 K CB -0.296 32.208 32.500 0.007 0.000 0.714 132 K HN 0.178 nan 8.250 nan 0.000 0.440 133 G N 0.644 109.433 108.800 -0.019 0.000 2.418 133 G HA2 -0.249 3.711 3.960 0.001 0.000 0.217 133 G HA3 -0.249 3.711 3.960 0.001 0.000 0.217 133 G C 1.598 176.475 174.900 -0.038 0.000 1.158 133 G CA 1.035 46.116 45.100 -0.032 0.000 0.771 133 G HN 0.406 nan 8.290 nan 0.000 0.545 134 A N 0.334 123.133 122.820 -0.034 0.000 1.948 134 A HA -0.031 4.289 4.320 0.001 0.000 0.220 134 A C 2.350 179.913 177.584 -0.035 0.000 1.177 134 A CA 1.857 53.871 52.037 -0.038 0.000 0.636 134 A CB -0.376 18.611 19.000 -0.023 0.000 0.815 134 A HN 0.492 nan 8.150 nan 0.000 0.449 135 L N -1.381 119.827 121.223 -0.025 0.000 2.131 135 L HA 0.132 4.472 4.340 0.001 0.000 0.206 135 L C 1.942 178.797 176.870 -0.025 0.000 1.087 135 L CA 1.627 56.452 54.840 -0.024 0.000 0.767 135 L CB -0.140 41.910 42.059 -0.015 0.000 0.917 135 L HN 0.360 nan 8.230 nan 0.000 0.441 136 L N -1.605 119.603 121.223 -0.025 0.000 2.609 136 L HA 0.466 4.806 4.340 0.001 0.000 0.230 136 L C 0.370 177.223 176.870 -0.028 0.000 1.064 136 L CA 0.364 55.191 54.840 -0.023 0.000 0.873 136 L CB 0.413 42.461 42.059 -0.018 0.000 1.139 136 L HN 0.325 nan 8.230 nan 0.000 0.490 137 G N 1.488 110.266 108.800 -0.037 0.000 2.667 137 G HA2 0.161 4.122 3.960 0.001 0.000 0.244 137 G HA3 0.161 4.122 3.960 0.001 0.000 0.244 137 G C -3.241 171.631 174.900 -0.046 0.000 3.242 137 G CA -0.504 44.572 45.100 -0.039 0.000 0.634 137 G HN -0.293 nan 8.290 nan 0.000 0.410 138 P HA 0.531 nan 4.420 nan 0.000 0.282 138 P C 0.102 177.367 177.300 -0.058 0.000 1.259 138 P CA -0.411 62.647 63.100 -0.070 0.000 0.826 138 P CB 2.003 33.641 31.700 -0.104 0.000 1.064 139 S N 1.607 117.285 115.700 -0.035 0.000 2.513 139 S HA 0.583 5.054 4.470 0.001 0.000 0.276 139 S C -0.305 174.270 174.600 -0.043 0.000 1.254 139 S CA -0.497 57.706 58.200 0.005 0.000 1.053 139 S CB -0.651 62.596 63.200 0.079 0.000 0.958 139 S HN 0.270 nan 8.310 nan 0.000 0.491 140 M N 4.476 124.052 119.600 -0.040 0.000 2.393 140 M HA 0.440 4.921 4.480 0.001 0.000 0.299 140 M C -1.257 175.010 176.300 -0.055 0.000 1.103 140 M CA -0.383 54.860 55.300 -0.095 0.000 0.910 140 M CB 2.280 34.751 32.600 -0.215 0.000 1.659 140 M HN 0.489 nan 8.290 nan 0.000 0.445 141 M N 4.534 124.083 119.600 -0.085 0.000 2.182 141 M HA 0.353 4.833 4.480 0.001 0.000 0.285 141 M C -2.492 173.680 176.300 -0.213 0.000 0.956 141 M CA -1.385 53.840 55.300 -0.124 0.000 0.878 141 M CB 1.046 33.603 32.600 -0.072 0.000 1.373 141 M HN 0.157 nan 8.290 nan 0.000 0.393 142 P HA 0.531 nan 4.420 nan 0.000 0.282 142 P C -0.320 176.672 177.300 -0.514 0.000 1.249 142 P CA -0.120 62.802 63.100 -0.296 0.000 0.806 142 P CB 1.622 33.186 31.700 -0.226 0.000 0.984 143 G N -0.168 108.356 108.800 -0.461 0.000 2.706 143 G HA2 0.722 4.683 3.960 0.001 0.000 0.297 143 G HA3 0.722 4.683 3.960 0.001 0.000 0.297 143 G C -0.802 173.955 174.900 -0.237 0.000 1.403 143 G CA -0.540 44.246 45.100 -0.523 0.000 0.954 143 G HN 0.786 nan 8.290 nan 0.000 0.500 144 G N -0.482 108.265 108.800 -0.088 0.000 2.350 144 G HA2 0.386 4.346 3.960 0.001 0.000 0.276 144 G HA3 0.386 4.346 3.960 0.001 0.000 0.276 144 G C -1.133 173.901 174.900 0.224 0.000 1.313 144 G CA -0.944 44.210 45.100 0.091 0.000 0.903 144 G HN 0.763 nan 8.290 nan 0.000 0.490 145 Q N 0.135 120.039 119.800 0.173 0.000 2.262 145 Q HA 0.268 4.608 4.340 0.001 0.000 0.298 145 Q C 1.381 177.457 176.000 0.127 0.000 1.083 145 Q CA 0.457 56.344 55.803 0.140 0.000 0.962 145 Q CB 1.270 30.063 28.738 0.092 0.000 1.104 145 Q HN 0.594 nan 8.270 nan 0.000 0.376 146 K N 3.047 123.463 120.400 0.027 0.000 2.147 146 K HA -0.199 4.122 4.320 0.001 0.000 0.205 146 K C 1.209 177.705 176.600 -0.174 0.000 1.049 146 K CA 1.652 57.758 56.287 -0.301 0.000 0.936 146 K CB 0.202 32.442 32.500 -0.433 0.000 0.722 146 K HN 0.701 nan 8.250 nan 0.000 0.446 147 E N -0.870 119.281 120.200 -0.082 0.000 2.072 147 E HA -0.098 4.252 4.350 0.001 0.000 0.190 147 E C 1.751 178.311 176.600 -0.067 0.000 0.982 147 E CA 0.944 57.300 56.400 -0.072 0.000 0.803 147 E CB -0.109 29.566 29.700 -0.041 0.000 0.755 147 E HN 0.426 nan 8.360 nan 0.000 0.453 148 A N 0.251 123.056 122.820 -0.025 0.000 1.930 148 A HA -0.187 4.133 4.320 0.001 0.000 0.217 148 A C 1.982 179.536 177.584 -0.051 0.000 1.175 148 A CA 1.189 53.209 52.037 -0.028 0.000 0.627 148 A CB -0.734 18.272 19.000 0.011 0.000 0.815 148 A HN 0.476 nan 8.150 nan 0.000 0.443 149 Y N 1.360 121.592 120.300 -0.114 0.000 2.181 149 Y HA -0.214 4.336 4.550 0.001 0.000 0.288 149 Y C 1.766 177.565 175.900 -0.169 0.000 1.146 149 Y CA 1.874 59.894 58.100 -0.134 0.000 1.164 149 Y CB -0.303 38.136 38.460 -0.036 0.000 0.982 149 Y HN 0.343 nan 8.280 nan 0.000 0.515 150 D N 0.285 120.477 120.400 -0.347 0.000 2.190 150 D HA -0.204 4.436 4.640 0.001 0.000 0.200 150 D C 2.087 178.177 176.300 -0.350 0.000 0.992 150 D CA 1.621 55.400 54.000 -0.367 0.000 0.854 150 D CB -0.291 40.387 40.800 -0.203 0.000 0.936 150 D HN 0.434 nan 8.370 nan 0.000 0.462 151 L N -0.245 120.808 121.223 -0.284 0.000 2.395 151 L HA -0.041 4.300 4.340 0.001 0.000 0.218 151 L C 2.199 178.902 176.870 -0.279 0.000 1.130 151 L CA 0.180 54.887 54.840 -0.222 0.000 0.826 151 L CB 0.228 42.199 42.059 -0.145 0.000 0.941 151 L HN -0.088 nan 8.230 nan 0.000 0.451 152 V N -0.712 118.938 119.914 -0.439 0.000 2.949 152 V HA 0.035 4.156 4.120 0.001 0.000 0.245 152 V C 2.608 178.299 176.094 -0.672 0.000 1.086 152 V CA 1.081 63.061 62.300 -0.533 0.000 1.097 152 V CB -0.001 31.449 31.823 -0.622 0.000 0.762 152 V HN 0.368 nan 8.190 nan 0.000 0.470 153 A N 1.174 123.475 122.820 -0.864 0.000 1.903 153 A HA -0.202 4.118 4.320 0.001 0.000 0.219 153 A C 0.444 177.888 177.584 -0.232 0.000 1.191 153 A CA 2.487 54.136 52.037 -0.647 0.000 0.638 153 A CB -1.973 16.606 19.000 -0.702 0.000 0.823 153 A HN 0.521 nan 8.150 nan 0.000 0.451 154 P HA -0.167 nan 4.420 nan 0.000 0.215 154 P C 1.434 178.713 177.300 -0.035 0.000 1.157 154 P CA 1.179 64.231 63.100 -0.080 0.000 0.874 154 P CB -0.146 31.517 31.700 -0.061 0.000 0.790 155 I N -2.225 118.277 120.570 -0.114 0.000 2.113 155 I HA -0.258 3.912 4.170 0.001 0.000 0.238 155 I C 2.210 178.364 176.117 0.061 0.000 1.070 155 I CA 1.381 62.600 61.300 -0.135 0.000 1.332 155 I CB -0.749 36.981 38.000 -0.452 0.000 1.044 155 I HN -0.161 nan 8.210 nan 0.000 0.402 156 F N 1.372 121.230 119.950 -0.153 0.000 2.147 156 F HA -0.263 4.265 4.527 0.001 0.000 0.301 156 F C 2.560 178.343 175.800 -0.029 0.000 1.084 156 F CA 1.516 59.477 58.000 -0.064 0.000 1.268 156 F CB -0.990 38.034 39.000 0.040 0.000 1.009 156 F HN 0.198 nan 8.300 nan 0.000 0.486 157 E N -0.763 119.536 120.200 0.166 0.000 2.152 157 E HA -0.183 4.167 4.350 0.001 0.000 0.192 157 E C 2.106 178.743 176.600 0.061 0.000 0.983 157 E CA 0.801 57.260 56.400 0.097 0.000 0.818 157 E CB -0.135 29.606 29.700 0.068 0.000 0.758 157 E HN 0.514 nan 8.360 nan 0.000 0.467 158 Q N 0.250 120.086 119.800 0.060 0.000 2.123 158 Q HA -0.097 4.243 4.340 0.001 0.000 0.199 158 Q C 2.361 178.381 176.000 0.034 0.000 0.966 158 Q CA 1.243 57.078 55.803 0.054 0.000 0.845 158 Q CB -0.113 28.681 28.738 0.093 0.000 0.907 158 Q HN 0.460 nan 8.270 nan 0.000 0.439 159 I N -2.536 118.045 120.570 0.017 0.000 3.030 159 I HA 0.228 4.399 4.170 0.001 0.000 0.270 159 I C 0.940 177.035 176.117 -0.036 0.000 1.211 159 I CA -0.309 60.978 61.300 -0.021 0.000 1.479 159 I CB -0.230 37.730 38.000 -0.067 0.000 1.105 159 I HN -0.131 nan 8.210 nan 0.000 0.447 160 A N 2.069 124.874 122.820 -0.025 0.000 2.536 160 A HA 0.515 4.835 4.320 0.001 0.000 0.234 160 A C 0.822 178.398 177.584 -0.014 0.000 1.076 160 A CA 0.263 52.282 52.037 -0.028 0.000 0.769 160 A CB -0.204 18.799 19.000 0.006 0.000 1.020 160 A HN 0.590 nan 8.150 nan 0.000 0.508 161 A N 1.615 124.426 122.820 -0.015 0.000 2.445 161 A HA 0.489 4.809 4.320 0.001 0.000 0.242 161 A C 0.170 177.759 177.584 0.008 0.000 1.075 161 A CA -0.073 51.960 52.037 -0.007 0.000 0.777 161 A CB 0.082 19.078 19.000 -0.007 0.000 1.013 161 A HN 0.629 nan 8.150 nan 0.000 0.493 162 K N 1.435 121.839 120.400 0.007 0.000 2.265 162 K HA 0.506 4.826 4.320 0.001 0.000 0.267 162 K C -0.087 176.524 176.600 0.017 0.000 0.994 162 K CA -0.249 56.047 56.287 0.014 0.000 0.860 162 K CB 1.423 33.929 32.500 0.011 0.000 1.099 162 K HN 0.756 nan 8.250 nan 0.000 0.448 163 A N 5.487 128.323 122.820 0.026 0.000 2.545 163 A HA 0.141 4.461 4.320 0.001 0.000 0.253 163 A C -1.117 176.482 177.584 0.025 0.000 1.074 163 A CA -0.713 51.343 52.037 0.031 0.000 0.760 163 A CB -0.142 18.881 19.000 0.037 0.000 1.005 163 A HN 0.429 nan 8.150 nan 0.000 0.506 164 P HA -0.203 nan 4.420 nan 0.000 0.223 164 P C 0.926 178.240 177.300 0.024 0.000 1.144 164 P CA 1.146 64.260 63.100 0.022 0.000 0.783 164 P CB 0.193 31.908 31.700 0.024 0.000 0.771 165 Q N 0.521 120.338 119.800 0.027 0.000 2.331 165 Q HA -0.062 4.279 4.340 0.001 0.000 0.203 165 Q C 0.349 176.360 176.000 0.019 0.000 0.944 165 Q CA 1.341 57.158 55.803 0.024 0.000 0.892 165 Q CB -0.483 28.270 28.738 0.025 0.000 0.983 165 Q HN 0.370 nan 8.270 nan 0.000 0.482 166 D N -2.440 117.971 120.400 0.019 0.000 2.557 166 D HA 0.162 4.802 4.640 0.001 0.000 0.317 166 D C 0.874 177.183 176.300 0.016 0.000 1.403 166 D CA 0.258 54.267 54.000 0.016 0.000 0.886 166 D CB -0.513 40.295 40.800 0.014 0.000 1.363 166 D HN 0.205 nan 8.370 nan 0.000 0.458 167 G N 1.138 109.948 108.800 0.017 0.000 2.187 167 G HA2 -0.377 3.584 3.960 0.001 0.000 0.261 167 G HA3 -0.377 3.584 3.960 0.001 0.000 0.261 167 G C 0.070 174.981 174.900 0.018 0.000 1.000 167 G CA 0.471 45.581 45.100 0.016 0.000 0.718 167 G HN 0.427 nan 8.290 nan 0.000 0.519 168 K N 0.982 121.394 120.400 0.021 0.000 2.379 168 K HA 0.282 4.602 4.320 0.001 0.000 0.284 168 K C -2.307 174.310 176.600 0.028 0.000 1.044 168 K CA -1.443 54.858 56.287 0.023 0.000 0.974 168 K CB 0.723 33.236 32.500 0.022 0.000 0.962 168 K HN 0.071 nan 8.250 nan 0.000 0.474 169 P HA -0.018 nan 4.420 nan 0.000 0.267 169 P C -0.508 176.817 177.300 0.041 0.000 1.205 169 P CA -0.203 62.919 63.100 0.037 0.000 0.765 169 P CB 0.377 32.105 31.700 0.047 0.000 0.828 170 C N 4.554 123.877 119.300 0.040 0.000 3.247 170 C HA 0.375 4.836 4.460 0.001 0.000 0.573 170 C C 0.618 175.634 174.990 0.044 0.000 1.106 170 C CA -0.062 58.985 59.018 0.049 0.000 1.209 170 C CB -1.838 25.941 27.740 0.066 0.000 1.460 170 C HN 0.380 nan 8.230 nan 0.000 0.634 171 V N 1.217 121.164 119.914 0.054 0.000 2.924 171 V HA 0.876 4.996 4.120 0.001 0.000 0.300 171 V C -1.083 175.075 176.094 0.106 0.000 1.227 171 V CA 0.143 62.493 62.300 0.082 0.000 0.954 171 V CB 1.990 33.896 31.823 0.138 0.000 1.055 171 V HN 0.675 nan 8.190 nan 0.000 0.429 172 A N 4.661 127.530 122.820 0.082 0.000 2.605 172 A HA 0.671 4.991 4.320 0.001 0.000 0.294 172 A C -1.809 175.766 177.584 -0.015 0.000 1.062 172 A CA -0.552 51.536 52.037 0.085 0.000 0.682 172 A CB 1.138 20.147 19.000 0.016 0.000 1.278 172 A HN 1.631 nan 8.150 nan 0.000 0.410 173 Y N 2.807 123.018 120.300 -0.149 0.000 2.544 173 Y HA 0.272 4.822 4.550 0.001 0.000 0.330 173 Y C 1.202 176.922 175.900 -0.300 0.000 1.136 173 Y CA 0.023 57.893 58.100 -0.384 0.000 1.417 173 Y CB 0.553 38.874 38.460 -0.231 0.000 1.229 173 Y HN 0.627 nan 8.280 nan 0.000 0.532 174 M N 4.278 123.382 119.600 -0.828 0.000 2.248 174 M HA 0.240 4.720 4.480 0.001 0.000 0.265 174 M C 0.977 176.758 176.300 -0.865 0.000 1.079 174 M CA 1.278 56.147 55.300 -0.718 0.000 1.150 174 M CB -0.964 31.262 32.600 -0.623 0.000 1.366 174 M HN 0.872 nan 8.290 nan 0.000 0.433 175 G N -0.959 106.999 108.800 -1.404 0.000 2.356 175 G HA2 0.414 4.375 3.960 0.001 0.000 0.288 175 G HA3 0.414 4.375 3.960 0.001 0.000 0.288 175 G C -1.539 172.938 174.900 -0.706 0.000 1.302 175 G CA -0.490 44.085 45.100 -0.875 0.000 0.887 175 G HN 0.462 nan 8.290 nan 0.000 0.521 176 A N -0.420 122.304 122.820 -0.160 0.000 2.310 176 A HA 0.667 4.987 4.320 0.001 0.000 0.260 176 A C 1.359 178.951 177.584 0.014 0.000 1.112 176 A CA 1.185 53.255 52.037 0.055 0.000 0.804 176 A CB -0.452 18.684 19.000 0.226 0.000 1.081 176 A HN 2.557 nan 8.150 nan 0.000 0.499 177 N N -0.935 117.840 118.700 0.126 0.000 1.537 177 N HA -0.322 4.418 4.740 0.001 0.000 0.143 177 N C 0.937 176.488 175.510 0.068 0.000 0.407 177 N CA 2.352 55.499 53.050 0.162 0.000 1.184 177 N CB -1.326 37.313 38.487 0.253 0.000 1.383 177 N HN 1.118 nan 8.380 nan 0.000 0.425 178 G N -1.402 107.465 108.800 0.112 0.000 3.277 178 G HA2 0.562 4.523 3.960 0.001 0.000 0.243 178 G HA3 0.562 4.523 3.960 0.001 0.000 0.243 178 G C 1.238 175.909 174.900 -0.382 0.000 1.107 178 G CA 0.636 45.771 45.100 0.059 0.000 0.771 178 G HN 0.855 nan 8.290 nan 0.000 0.544 179 A N 0.932 123.055 122.820 -1.163 0.000 1.986 179 A HA 0.044 4.364 4.320 0.001 0.000 0.220 179 A C 2.546 179.625 177.584 -0.842 0.000 1.171 179 A CA 2.241 53.161 52.037 -1.862 0.000 0.640 179 A CB -0.710 17.080 19.000 -2.017 0.000 0.811 179 A HN 0.472 nan 8.150 nan 0.000 0.451 180 G N -1.333 107.106 108.800 -0.602 0.000 2.453 180 G HA2 -0.231 3.730 3.960 0.001 0.000 0.215 180 G HA3 -0.231 3.730 3.960 0.001 0.000 0.215 180 G C 1.405 176.164 174.900 -0.236 0.000 1.201 180 G CA 1.158 46.003 45.100 -0.425 0.000 0.784 180 G HN 0.751 nan 8.290 nan 0.000 0.545 181 H N -1.944 117.057 119.070 -0.114 0.000 2.456 181 H HA -0.048 4.509 4.556 0.001 0.000 0.296 181 H C 2.170 177.513 175.328 0.025 0.000 1.079 181 H CA 1.096 57.147 56.048 0.005 0.000 1.322 181 H CB 0.005 29.815 29.762 0.079 0.000 1.388 181 H HN 0.417 nan 8.280 nan 0.000 0.538 182 Y N 0.534 120.797 120.300 -0.062 0.000 2.163 182 Y HA -0.234 4.316 4.550 0.001 0.000 0.288 182 Y C 2.339 178.199 175.900 -0.066 0.000 1.136 182 Y CA 1.118 59.119 58.100 -0.165 0.000 1.147 182 Y CB -0.365 37.877 38.460 -0.362 0.000 0.987 182 Y HN -0.048 nan 8.280 nan 0.000 0.509 183 V N 0.598 120.570 119.914 0.097 0.000 2.332 183 V HA -0.321 3.799 4.120 0.001 0.000 0.248 183 V C 2.307 178.535 176.094 0.225 0.000 1.055 183 V CA 2.284 64.662 62.300 0.130 0.000 1.038 183 V CB -0.733 31.088 31.823 -0.003 0.000 0.651 183 V HN 0.251 nan 8.190 nan 0.000 0.450 184 K N 0.277 120.761 120.400 0.141 0.000 2.097 184 K HA -0.138 4.183 4.320 0.001 0.000 0.205 184 K C 2.083 178.758 176.600 0.125 0.000 1.050 184 K CA 1.748 58.114 56.287 0.131 0.000 0.938 184 K CB -0.455 32.115 32.500 0.117 0.000 0.718 184 K HN 0.444 nan 8.250 nan 0.000 0.442 185 M N -0.304 119.343 119.600 0.080 0.000 2.067 185 M HA -0.163 4.317 4.480 0.001 0.000 0.260 185 M C 1.713 177.989 176.300 -0.040 0.000 1.069 185 M CA 1.759 57.082 55.300 0.038 0.000 1.117 185 M CB -0.117 32.459 32.600 -0.040 0.000 1.334 185 M HN 0.030 nan 8.290 nan 0.000 0.407 186 V N 0.527 120.397 119.914 -0.073 0.000 2.324 186 V HA -0.355 3.765 4.120 0.001 0.000 0.250 186 V C 2.610 178.644 176.094 -0.099 0.000 1.060 186 V CA 2.380 64.641 62.300 -0.065 0.000 1.042 186 V CB -1.448 30.385 31.823 0.016 0.000 0.650 186 V HN 0.637 nan 8.190 nan 0.000 0.450 187 H N 1.040 120.009 119.070 -0.167 0.000 2.265 187 H HA -0.239 4.317 4.556 0.001 0.000 0.293 187 H C 2.243 177.344 175.328 -0.378 0.000 1.089 187 H CA 2.554 58.261 56.048 -0.568 0.000 1.244 187 H CB -0.259 29.173 29.762 -0.549 0.000 1.355 187 H HN 0.398 nan 8.280 nan 0.000 0.485 188 N N 0.186 118.874 118.700 -0.020 0.000 2.223 188 N HA -0.096 4.644 4.740 0.001 0.000 0.185 188 N C 2.167 177.555 175.510 -0.203 0.000 1.016 188 N CA 1.079 54.092 53.050 -0.063 0.000 0.863 188 N CB -0.901 37.560 38.487 -0.043 0.000 0.983 188 N HN 0.538 nan 8.380 nan 0.000 0.429 189 G N 1.191 109.841 108.800 -0.250 0.000 2.433 189 G HA2 -0.170 3.790 3.960 0.001 0.000 0.216 189 G HA3 -0.170 3.790 3.960 0.001 0.000 0.216 189 G C 1.618 176.390 174.900 -0.213 0.000 1.186 189 G CA 0.418 45.348 45.100 -0.284 0.000 0.779 189 G HN 0.269 nan 8.290 nan 0.000 0.543 190 I N 0.813 121.207 120.570 -0.293 0.000 2.194 190 I HA -0.246 3.925 4.170 0.001 0.000 0.246 190 I C 2.709 178.671 176.117 -0.258 0.000 1.093 190 I CA 1.760 62.839 61.300 -0.367 0.000 1.355 190 I CB -0.219 37.426 38.000 -0.592 0.000 1.046 190 I HN 0.388 nan 8.210 nan 0.000 0.413 191 E N 0.487 120.531 120.200 -0.260 0.000 2.085 191 E HA -0.276 4.074 4.350 0.001 0.000 0.194 191 E C 2.232 178.835 176.600 0.005 0.000 0.994 191 E CA 1.579 57.895 56.400 -0.140 0.000 0.801 191 E CB -0.159 29.457 29.700 -0.140 0.000 0.743 191 E HN 0.442 nan 8.360 nan 0.000 0.453 192 Y N 0.279 120.474 120.300 -0.175 0.000 2.274 192 Y HA -0.052 4.499 4.550 0.001 0.000 0.290 192 Y C 2.343 178.174 175.900 -0.115 0.000 1.145 192 Y CA 1.328 59.343 58.100 -0.142 0.000 1.203 192 Y CB -0.865 37.496 38.460 -0.164 0.000 0.984 192 Y HN 0.192 nan 8.280 nan 0.000 0.533 193 G N -0.292 108.527 108.800 0.031 0.000 2.434 193 G HA2 -0.233 3.727 3.960 0.001 0.000 0.214 193 G HA3 -0.233 3.727 3.960 0.001 0.000 0.214 193 G C 1.326 176.245 174.900 0.031 0.000 1.202 193 G CA 1.131 46.235 45.100 0.006 0.000 0.788 193 G HN 0.253 nan 8.290 nan 0.000 0.539 194 D N 0.552 120.974 120.400 0.037 0.000 2.126 194 D HA -0.153 4.488 4.640 0.001 0.000 0.190 194 D C 2.566 178.881 176.300 0.025 0.000 1.001 194 D CA 1.126 55.168 54.000 0.071 0.000 0.841 194 D CB -0.382 40.470 40.800 0.087 0.000 0.949 194 D HN 0.286 nan 8.370 nan 0.000 0.446 195 M N -0.263 119.316 119.600 -0.034 0.000 2.108 195 M HA -0.227 4.253 4.480 0.001 0.000 0.261 195 M C 2.226 178.486 176.300 -0.067 0.000 1.066 195 M CA 1.336 56.586 55.300 -0.083 0.000 1.107 195 M CB -0.141 32.365 32.600 -0.156 0.000 1.356 195 M HN -0.048 nan 8.290 nan 0.000 0.406 196 Q N 0.934 120.703 119.800 -0.051 0.000 2.079 196 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 196 Q C 1.730 177.728 176.000 -0.002 0.000 0.974 196 Q CA 1.713 57.495 55.803 -0.034 0.000 0.840 196 Q CB -0.484 28.239 28.738 -0.025 0.000 0.898 196 Q HN 0.537 nan 8.270 nan 0.000 0.430 197 L N -0.401 120.858 121.223 0.061 0.000 2.042 197 L HA -0.178 4.162 4.340 0.001 0.000 0.210 197 L C 2.346 179.310 176.870 0.156 0.000 1.076 197 L CA 1.081 56.015 54.840 0.156 0.000 0.749 197 L CB -0.432 41.782 42.059 0.258 0.000 0.893 197 L HN 0.250 nan 8.230 nan 0.000 0.432 198 I N -0.354 120.289 120.570 0.122 0.000 2.179 198 I HA -0.289 3.881 4.170 0.001 0.000 0.242 198 I C 2.788 178.989 176.117 0.139 0.000 1.088 198 I CA 1.226 62.608 61.300 0.136 0.000 1.357 198 I CB -0.457 37.525 38.000 -0.030 0.000 1.051 198 I HN 0.192 nan 8.210 nan 0.000 0.409 199 A N 0.318 123.167 122.820 0.049 0.000 1.903 199 A HA -0.315 4.006 4.320 0.001 0.000 0.219 199 A C 2.232 179.874 177.584 0.098 0.000 1.191 199 A CA 2.246 54.333 52.037 0.084 0.000 0.638 199 A CB -0.804 18.204 19.000 0.013 0.000 0.823 199 A HN 0.492 nan 8.150 nan 0.000 0.451 200 E N -0.384 119.776 120.200 -0.067 0.000 2.110 200 E HA -0.124 4.227 4.350 0.001 0.000 0.193 200 E C 2.393 178.869 176.600 -0.206 0.000 0.988 200 E CA 1.255 57.494 56.400 -0.268 0.000 0.804 200 E CB -0.144 29.153 29.700 -0.670 0.000 0.745 200 E HN 0.635 nan 8.360 nan 0.000 0.458 201 S N 0.480 116.180 115.700 -0.000 0.000 2.348 201 S HA -0.210 4.260 4.470 0.001 0.000 0.221 201 S C 1.769 176.520 174.600 0.252 0.000 1.033 201 S CA 1.400 59.759 58.200 0.265 0.000 1.010 201 S CB -0.531 63.032 63.200 0.604 0.000 0.891 201 S HN 0.400 nan 8.310 nan 0.000 0.442 202 Y N 2.729 123.177 120.300 0.246 0.000 2.081 202 Y HA -0.276 4.274 4.550 0.001 0.000 0.280 202 Y C 2.133 178.048 175.900 0.025 0.000 1.163 202 Y CA 2.121 60.327 58.100 0.176 0.000 1.135 202 Y CB -0.868 37.711 38.460 0.199 0.000 0.970 202 Y HN 0.172 nan 8.280 nan 0.000 0.498 203 D N 0.127 120.419 120.400 -0.181 0.000 2.133 203 D HA -0.212 4.429 4.640 0.001 0.000 0.195 203 D C 2.202 178.346 176.300 -0.261 0.000 0.997 203 D CA 1.781 55.590 54.000 -0.318 0.000 0.840 203 D CB -0.379 40.337 40.800 -0.139 0.000 0.947 203 D HN 0.509 nan 8.370 nan 0.000 0.452 204 L N -0.292 120.833 121.223 -0.164 0.000 1.976 204 L HA -0.170 4.170 4.340 0.001 0.000 0.209 204 L C 2.693 179.453 176.870 -0.183 0.000 1.071 204 L CA 0.817 55.575 54.840 -0.137 0.000 0.746 204 L CB -0.559 41.468 42.059 -0.053 0.000 0.890 204 L HN 0.114 nan 8.230 nan 0.000 0.432 205 L N -0.271 120.845 121.223 -0.179 0.000 2.043 205 L HA -0.267 4.074 4.340 0.001 0.000 0.212 205 L C 2.695 179.413 176.870 -0.253 0.000 1.075 205 L CA 1.475 56.181 54.840 -0.224 0.000 0.752 205 L CB -0.727 41.182 42.059 -0.250 0.000 0.891 205 L HN 0.280 nan 8.230 nan 0.000 0.432 206 K N 0.200 120.406 120.400 -0.324 0.000 2.057 206 K HA -0.134 4.186 4.320 0.001 0.000 0.206 206 K C 2.367 178.823 176.600 -0.241 0.000 1.050 206 K CA 1.311 57.397 56.287 -0.336 0.000 0.935 206 K CB 0.131 32.284 32.500 -0.579 0.000 0.715 206 K HN 0.252 nan 8.250 nan 0.000 0.439 207 R N -0.272 120.090 120.500 -0.229 0.000 2.103 207 R HA 0.168 4.508 4.340 0.001 0.000 0.212 207 R C 2.418 178.638 176.300 -0.133 0.000 1.107 207 R CA 0.495 56.499 56.100 -0.161 0.000 1.025 207 R CB 0.011 30.224 30.300 -0.145 0.000 0.929 207 R HN 0.173 nan 8.270 nan 0.000 0.456 208 I N 1.024 121.493 120.570 -0.168 0.000 2.206 208 I HA -0.188 3.983 4.170 0.001 0.000 0.239 208 I C 1.705 177.664 176.117 -0.264 0.000 1.078 208 I CA 1.171 62.357 61.300 -0.191 0.000 1.367 208 I CB 0.016 37.872 38.000 -0.240 0.000 1.078 208 I HN 0.103 nan 8.210 nan 0.000 0.413 209 L N 1.000 122.020 121.223 -0.339 0.000 2.627 209 L HA 0.171 4.512 4.340 0.001 0.000 0.233 209 L C 1.312 178.099 176.870 -0.140 0.000 1.144 209 L CA 0.232 54.880 54.840 -0.319 0.000 0.892 209 L CB -0.984 40.867 42.059 -0.347 0.000 1.039 209 L HN 0.492 nan 8.230 nan 0.000 0.442 210 G N 1.394 110.123 108.800 -0.118 0.000 2.361 210 G HA2 -0.303 3.657 3.960 0.001 0.000 0.294 210 G HA3 -0.303 3.657 3.960 0.001 0.000 0.294 210 G C 0.358 175.202 174.900 -0.093 0.000 1.004 210 G CA 0.208 45.257 45.100 -0.084 0.000 0.870 210 G HN 0.330 nan 8.290 nan 0.000 0.510 211 L N 0.501 121.646 121.223 -0.131 0.000 2.452 211 L HA 0.412 4.753 4.340 0.001 0.000 0.267 211 L C 1.409 178.204 176.870 -0.124 0.000 1.188 211 L CA 0.177 54.940 54.840 -0.129 0.000 0.821 211 L CB 0.975 42.935 42.059 -0.165 0.000 1.102 211 L HN 0.449 nan 8.230 nan 0.000 0.470 212 S N 0.887 116.522 115.700 -0.109 0.000 2.646 212 S HA 0.205 4.676 4.470 0.001 0.000 0.276 212 S C 0.851 175.365 174.600 -0.144 0.000 1.222 212 S CA -0.855 57.274 58.200 -0.117 0.000 1.014 212 S CB 1.286 64.436 63.200 -0.084 0.000 0.991 212 S HN 0.588 nan 8.310 nan 0.000 0.533 213 N N 1.886 120.447 118.700 -0.232 0.000 2.060 213 N HA -0.182 4.559 4.740 0.001 0.000 0.195 213 N C 2.000 177.425 175.510 -0.142 0.000 1.028 213 N CA 2.046 54.935 53.050 -0.269 0.000 0.861 213 N CB -1.317 36.719 38.487 -0.751 0.000 1.029 213 N HN 0.858 nan 8.380 nan 0.000 0.428 214 A N 1.260 124.017 122.820 -0.105 0.000 1.902 214 A HA -0.166 4.154 4.320 0.001 0.000 0.217 214 A C 2.109 179.669 177.584 -0.040 0.000 1.181 214 A CA 1.567 53.599 52.037 -0.008 0.000 0.623 214 A CB -0.535 18.490 19.000 0.042 0.000 0.818 214 A HN 0.410 nan 8.150 nan 0.000 0.443 215 E N -0.263 119.895 120.200 -0.071 0.000 2.077 215 E HA -0.161 4.189 4.350 0.001 0.000 0.193 215 E C 1.904 178.411 176.600 -0.156 0.000 0.989 215 E CA 1.288 57.627 56.400 -0.102 0.000 0.800 215 E CB -0.320 29.317 29.700 -0.105 0.000 0.746 215 E HN 0.697 nan 8.360 nan 0.000 0.452 216 I N 1.167 121.650 120.570 -0.146 0.000 2.315 216 I HA -0.275 3.896 4.170 0.001 0.000 0.248 216 I C 2.832 178.866 176.117 -0.138 0.000 1.117 216 I CA 0.995 62.179 61.300 -0.193 0.000 1.404 216 I CB -0.375 37.593 38.000 -0.053 0.000 1.071 216 I HN 0.201 nan 8.210 nan 0.000 0.419 217 Q N 1.632 121.419 119.800 -0.022 0.000 2.014 217 Q HA -0.279 4.061 4.340 0.001 0.000 0.207 217 Q C 2.376 178.364 176.000 -0.021 0.000 0.993 217 Q CA 2.539 58.367 55.803 0.041 0.000 0.850 217 Q CB -0.193 28.571 28.738 0.043 0.000 0.916 217 Q HN 0.493 nan 8.270 nan 0.000 0.417 218 A N 0.806 123.583 122.820 -0.072 0.000 1.927 218 A HA -0.238 4.082 4.320 0.001 0.000 0.220 218 A C 2.047 179.516 177.584 -0.191 0.000 1.185 218 A CA 1.864 53.844 52.037 -0.096 0.000 0.639 218 A CB -0.883 18.062 19.000 -0.092 0.000 0.820 218 A HN 0.558 nan 8.150 nan 0.000 0.451 219 I N -2.076 118.270 120.570 -0.373 0.000 2.142 219 I HA -0.235 3.935 4.170 0.001 0.000 0.240 219 I C 2.287 177.930 176.117 -0.790 0.000 1.078 219 I CA 1.394 62.260 61.300 -0.724 0.000 1.343 219 I CB -0.367 36.996 38.000 -1.063 0.000 1.046 219 I HN 0.309 nan 8.210 nan 0.000 0.405 220 F N 1.132 120.814 119.950 -0.447 0.000 2.134 220 F HA -0.202 4.325 4.527 0.001 0.000 0.299 220 F C 2.510 178.294 175.800 -0.025 0.000 1.097 220 F CA 1.373 59.267 58.000 -0.176 0.000 1.264 220 F CB -0.851 38.101 39.000 -0.080 0.000 1.001 220 F HN 0.053 nan 8.300 nan 0.000 0.479 221 E N -0.151 120.122 120.200 0.122 0.000 2.086 221 E HA -0.320 4.030 4.350 0.001 0.000 0.200 221 E C 2.121 178.779 176.600 0.096 0.000 1.012 221 E CA 1.932 58.386 56.400 0.091 0.000 0.812 221 E CB -0.128 29.597 29.700 0.043 0.000 0.743 221 E HN 0.426 nan 8.360 nan 0.000 0.453 222 E N -0.402 119.828 120.200 0.050 0.000 2.016 222 E HA -0.174 4.176 4.350 0.001 0.000 0.190 222 E C 1.633 178.375 176.600 0.237 0.000 0.985 222 E CA 1.261 57.718 56.400 0.097 0.000 0.802 222 E CB -0.308 29.416 29.700 0.040 0.000 0.762 222 E HN 0.263 nan 8.360 nan 0.000 0.448 223 W N 1.258 122.588 121.300 0.050 0.000 2.292 223 W HA -0.170 4.490 4.660 0.001 0.000 0.304 223 W C 2.136 178.708 176.519 0.088 0.000 1.228 223 W CA 1.473 58.857 57.345 0.065 0.000 1.241 223 W CB -1.344 28.180 29.460 0.107 0.000 1.142 223 W HN 0.265 nan 8.180 nan 0.000 0.520 224 N N 0.078 118.984 118.700 0.344 0.000 2.381 224 N HA -0.131 4.610 4.740 0.001 0.000 0.182 224 N C 1.407 177.020 175.510 0.170 0.000 1.025 224 N CA 1.030 54.223 53.050 0.238 0.000 0.888 224 N CB -0.225 38.386 38.487 0.206 0.000 0.965 224 N HN 0.019 nan 8.380 nan 0.000 0.438 225 E N -0.447 119.844 120.200 0.153 0.000 2.268 225 E HA 0.005 4.355 4.350 0.001 0.000 0.195 225 E C 1.192 177.847 176.600 0.093 0.000 0.995 225 E CA 0.391 56.857 56.400 0.110 0.000 0.836 225 E CB -0.418 29.339 29.700 0.094 0.000 0.763 225 E HN 0.350 nan 8.360 nan 0.000 0.491 226 G N 1.301 110.158 108.800 0.095 0.000 2.773 226 G HA2 0.079 4.039 3.960 0.001 0.000 0.186 226 G HA3 0.079 4.039 3.960 0.001 0.000 0.186 226 G C 0.866 175.779 174.900 0.022 0.000 1.411 226 G CA 0.171 45.296 45.100 0.042 0.000 1.054 226 G HN 0.149 nan 8.290 nan 0.000 0.579 227 E N -0.347 119.811 120.200 -0.070 0.000 2.208 227 E HA -0.029 4.321 4.350 0.001 0.000 0.193 227 E C 2.374 178.970 176.600 -0.006 0.000 0.988 227 E CA 0.432 56.768 56.400 -0.106 0.000 0.828 227 E CB -0.235 29.246 29.700 -0.365 0.000 0.763 227 E HN 0.337 nan 8.360 nan 0.000 0.478 228 L N 1.638 122.844 121.223 -0.028 0.000 2.012 228 L HA -0.150 4.190 4.340 0.001 0.000 0.210 228 L C 0.826 177.819 176.870 0.205 0.000 1.073 228 L CA 0.936 55.865 54.840 0.149 0.000 0.748 228 L CB -0.857 41.278 42.059 0.126 0.000 0.891 228 L HN 0.191 nan 8.230 nan 0.000 0.431 229 D N 1.159 121.669 120.400 0.184 0.000 8.123 229 D HA -0.180 4.461 4.640 0.001 0.000 0.129 229 D C -0.356 176.078 176.300 0.222 0.000 1.103 229 D CA 0.989 55.103 54.000 0.191 0.000 0.894 229 D CB 0.072 40.970 40.800 0.164 0.000 1.688 229 D HN 0.358 nan 8.370 nan 0.000 0.961 230 S N 2.887 118.714 115.700 0.212 0.000 2.537 230 S HA 0.252 4.722 4.470 0.001 0.000 0.271 230 S C 0.297 175.026 174.600 0.215 0.000 1.148 230 S CA -0.842 57.495 58.200 0.229 0.000 0.868 230 S CB 0.866 64.196 63.200 0.217 0.000 1.115 230 S HN 0.305 nan 8.310 nan 0.000 0.461 231 Y N 2.678 123.036 120.300 0.097 0.000 2.224 231 Y HA 0.084 4.634 4.550 0.001 0.000 0.289 231 Y C 1.679 177.598 175.900 0.030 0.000 1.146 231 Y CA 1.574 59.712 58.100 0.062 0.000 1.182 231 Y CB -0.347 38.149 38.460 0.060 0.000 0.983 231 Y HN 0.769 nan 8.280 nan 0.000 0.524 232 L N -0.585 120.610 121.223 -0.046 0.000 2.042 232 L HA -0.265 4.075 4.340 0.001 0.000 0.210 232 L C 2.405 179.148 176.870 -0.211 0.000 1.076 232 L CA 1.540 56.277 54.840 -0.171 0.000 0.749 232 L CB -0.450 41.572 42.059 -0.061 0.000 0.893 232 L HN 0.264 nan 8.230 nan 0.000 0.432 233 I N -0.753 119.755 120.570 -0.102 0.000 2.252 233 I HA -0.287 3.883 4.170 0.001 0.000 0.245 233 I C 2.562 178.598 176.117 -0.135 0.000 1.102 233 I CA 1.131 62.354 61.300 -0.128 0.000 1.385 233 I CB -0.268 37.785 38.000 0.087 0.000 1.064 233 I HN 0.331 nan 8.210 nan 0.000 0.414 234 E N 1.283 121.434 120.200 -0.081 0.000 2.110 234 E HA -0.224 4.127 4.350 0.001 0.000 0.193 234 E C 2.322 178.803 176.600 -0.199 0.000 0.988 234 E CA 1.252 57.605 56.400 -0.078 0.000 0.804 234 E CB 0.020 29.733 29.700 0.022 0.000 0.745 234 E HN 0.491 nan 8.360 nan 0.000 0.458 235 I N 0.611 120.950 120.570 -0.385 0.000 2.286 235 I HA -0.252 3.919 4.170 0.001 0.000 0.248 235 I C 2.357 178.314 176.117 -0.268 0.000 1.115 235 I CA 1.248 62.322 61.300 -0.376 0.000 1.392 235 I CB -0.372 37.340 38.000 -0.480 0.000 1.065 235 I HN 0.124 nan 8.210 nan 0.000 0.418 236 T N 1.231 115.597 114.554 -0.314 0.000 2.737 236 T HA -0.177 4.174 4.350 0.001 0.000 0.265 236 T C 1.762 176.331 174.700 -0.217 0.000 1.038 236 T CA 1.814 63.698 62.100 -0.361 0.000 1.144 236 T CB -0.234 68.222 68.868 -0.686 0.000 0.866 236 T HN 0.370 nan 8.240 nan 0.000 0.434 237 K N 1.710 122.029 120.400 -0.134 0.000 2.211 237 K HA -0.004 4.316 4.320 0.001 0.000 0.203 237 K C 1.958 178.551 176.600 -0.011 0.000 1.050 237 K CA 1.097 57.384 56.287 0.001 0.000 0.945 237 K CB -0.195 32.346 32.500 0.069 0.000 0.732 237 K HN 0.138 nan 8.250 nan 0.000 0.451 238 E N 0.968 121.138 120.200 -0.050 0.000 2.047 238 E HA -0.119 4.232 4.350 0.001 0.000 0.191 238 E C 2.263 178.844 176.600 -0.032 0.000 0.987 238 E CA 1.725 58.104 56.400 -0.034 0.000 0.799 238 E CB -0.452 29.218 29.700 -0.049 0.000 0.752 238 E HN 0.381 nan 8.360 nan 0.000 0.449 239 V N -0.634 119.238 119.914 -0.070 0.000 2.594 239 V HA -0.155 3.965 4.120 0.001 0.000 0.253 239 V C 2.312 178.404 176.094 -0.004 0.000 1.069 239 V CA 1.264 63.529 62.300 -0.057 0.000 1.082 239 V CB -0.838 30.920 31.823 -0.109 0.000 0.680 239 V HN 0.089 nan 8.190 nan 0.000 0.469 240 L N -0.447 120.778 121.223 0.003 0.000 2.291 240 L HA -0.002 4.338 4.340 0.001 0.000 0.214 240 L C 2.736 179.726 176.870 0.199 0.000 1.120 240 L CA 1.247 56.130 54.840 0.071 0.000 0.799 240 L CB -0.555 41.528 42.059 0.040 0.000 0.925 240 L HN 0.291 nan 8.230 nan 0.000 0.446 241 K N -0.200 120.278 120.400 0.130 0.000 2.148 241 K HA -0.038 4.282 4.320 0.001 0.000 0.204 241 K C 0.505 177.154 176.600 0.082 0.000 1.050 241 K CA 0.514 56.878 56.287 0.128 0.000 0.942 241 K CB 0.036 32.570 32.500 0.055 0.000 0.724 241 K HN 0.117 nan 8.250 nan 0.000 0.446 242 R N 2.720 123.257 120.500 0.062 0.000 2.390 242 R HA 0.066 4.407 4.340 0.001 0.000 0.291 242 R C -0.063 176.174 176.300 -0.105 0.000 1.070 242 R CA -0.058 56.029 56.100 -0.021 0.000 1.014 242 R CB 0.591 30.886 30.300 -0.008 0.000 1.007 242 R HN 0.256 nan 8.270 nan 0.000 0.466 243 K N 0.597 120.895 120.400 -0.170 0.000 2.202 243 K HA 0.103 4.424 4.320 0.001 0.000 0.264 243 K C 0.052 176.587 176.600 -0.108 0.000 1.010 243 K CA -0.667 55.487 56.287 -0.222 0.000 0.940 243 K CB 0.608 32.994 32.500 -0.189 0.000 0.983 243 K HN 0.281 nan 8.250 nan 0.000 0.475 244 D N 1.374 121.721 120.400 -0.088 0.000 2.455 244 D HA -0.075 4.565 4.640 0.001 0.000 0.241 244 D C 0.153 176.430 176.300 -0.039 0.000 1.138 244 D CA -0.188 53.791 54.000 -0.036 0.000 0.877 244 D CB 0.791 41.581 40.800 -0.016 0.000 1.187 244 D HN 0.744 nan 8.370 nan 0.000 0.451 245 D N 2.138 122.522 120.400 -0.026 0.000 2.348 245 D HA -0.082 4.558 4.640 0.001 0.000 0.211 245 D C 0.406 176.695 176.300 -0.018 0.000 0.998 245 D CA 0.630 54.615 54.000 -0.024 0.000 0.873 245 D CB 0.016 40.804 40.800 -0.019 0.000 0.925 245 D HN 0.566 nan 8.370 nan 0.000 0.524 246 E N -0.314 119.877 120.200 -0.014 0.000 2.714 246 E HA 0.427 4.778 4.350 0.001 0.000 0.219 246 E C 0.522 177.117 176.600 -0.009 0.000 0.979 246 E CA -0.191 56.203 56.400 -0.010 0.000 1.092 246 E CB 1.538 31.234 29.700 -0.007 0.000 1.049 246 E HN 0.297 nan 8.360 nan 0.000 0.487 247 G N 1.419 110.212 108.800 -0.012 0.000 2.428 247 G HA2 0.103 4.063 3.960 0.001 0.000 0.305 247 G HA3 0.103 4.063 3.960 0.001 0.000 0.305 247 G C -1.456 173.435 174.900 -0.015 0.000 1.260 247 G CA -0.824 44.271 45.100 -0.009 0.000 0.853 247 G HN 0.016 nan 8.290 nan 0.000 0.480 248 E N 0.270 120.465 120.200 -0.008 0.000 2.343 248 E HA 0.576 4.926 4.350 0.001 0.000 0.269 248 E C 0.733 177.332 176.600 -0.002 0.000 1.047 248 E CA 0.268 56.661 56.400 -0.012 0.000 0.874 248 E CB 1.521 31.221 29.700 0.000 0.000 1.033 248 E HN 2.083 nan 8.360 nan 0.000 0.409 249 G N 1.611 110.391 108.800 -0.033 0.000 2.464 249 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 249 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 249 G C -1.408 173.426 174.900 -0.111 0.000 1.186 249 G CA -0.483 44.622 45.100 0.009 0.000 1.010 249 G HN 0.469 nan 8.290 nan 0.000 0.585 250 Y N -0.293 120.009 120.300 0.004 0.000 2.352 250 Y HA 0.615 5.165 4.550 0.001 0.000 0.339 250 Y C 1.428 177.326 175.900 -0.004 0.000 0.992 250 Y CA -0.163 57.937 58.100 0.001 0.000 1.100 250 Y CB 1.644 40.109 38.460 0.008 0.000 1.192 250 Y HN 0.601 nan 8.280 nan 0.000 0.458 251 I N 2.261 122.894 120.570 0.104 0.000 2.264 251 I HA -0.204 3.966 4.170 0.001 0.000 0.248 251 I C 2.006 178.157 176.117 0.057 0.000 1.111 251 I CA 1.444 62.776 61.300 0.054 0.000 1.382 251 I CB -0.310 37.699 38.000 0.015 0.000 1.060 251 I HN 0.612 nan 8.210 nan 0.000 0.418 252 V N 0.776 120.736 119.914 0.077 0.000 2.469 252 V HA -0.282 3.838 4.120 0.001 0.000 0.251 252 V C 1.573 177.691 176.094 0.040 0.000 1.064 252 V CA 2.500 64.812 62.300 0.021 0.000 1.066 252 V CB -0.737 31.071 31.823 -0.025 0.000 0.667 252 V HN 0.482 nan 8.190 nan 0.000 0.461 253 D N -1.038 119.412 120.400 0.083 0.000 2.340 253 D HA 0.019 4.660 4.640 0.001 0.000 0.220 253 D C 1.697 178.031 176.300 0.057 0.000 1.039 253 D CA 0.278 54.323 54.000 0.076 0.000 0.866 253 D CB 0.265 41.118 40.800 0.088 0.000 0.913 253 D HN 0.309 nan 8.370 nan 0.000 0.523 254 K N -0.009 120.420 120.400 0.048 0.000 2.355 254 K HA 0.297 4.617 4.320 0.001 0.000 0.198 254 K C 0.432 177.042 176.600 0.017 0.000 1.039 254 K CA -0.099 56.207 56.287 0.031 0.000 1.075 254 K CB 0.785 33.302 32.500 0.030 0.000 0.870 254 K HN 0.086 nan 8.250 nan 0.000 0.540 255 I N 2.348 122.925 120.570 0.012 0.000 2.322 255 I HA 0.060 4.231 4.170 0.001 0.000 0.292 255 I C -0.140 175.979 176.117 0.002 0.000 1.060 255 I CA -1.054 60.246 61.300 -0.001 0.000 1.309 255 I CB 0.558 38.549 38.000 -0.016 0.000 1.415 255 I HN -0.083 nan 8.210 nan 0.000 0.492 256 L N 7.896 129.120 121.223 0.002 0.000 2.559 256 L HA -0.093 4.247 4.340 0.001 0.000 0.282 256 L C 0.799 177.673 176.870 0.006 0.000 1.232 256 L CA 0.373 55.216 54.840 0.006 0.000 0.885 256 L CB 0.153 42.213 42.059 0.002 0.000 1.131 256 L HN 0.591 nan 8.230 nan 0.000 0.498 257 D N 4.703 125.113 120.400 0.016 0.000 2.801 257 D HA 0.054 4.695 4.640 0.001 0.000 0.232 257 D C -0.435 175.880 176.300 0.025 0.000 1.128 257 D CA 0.006 54.018 54.000 0.020 0.000 1.003 257 D CB -0.344 40.476 40.800 0.033 0.000 1.110 257 D HN 0.410 nan 8.370 nan 0.000 0.477 258 K N 0.543 120.952 120.400 0.015 0.000 2.502 258 K HA 0.572 4.892 4.320 0.001 0.000 0.254 258 K C -0.590 176.018 176.600 0.013 0.000 0.947 258 K CA -0.744 55.557 56.287 0.023 0.000 0.834 258 K CB 2.333 34.840 32.500 0.012 0.000 1.112 258 K HN 0.253 nan 8.250 nan 0.000 0.427 259 A N 1.926 124.763 122.820 0.029 0.000 2.287 259 A HA 0.619 4.939 4.320 0.001 0.000 0.273 259 A C 0.340 177.932 177.584 0.014 0.000 1.091 259 A CA -0.310 51.733 52.037 0.010 0.000 0.817 259 A CB 0.506 19.513 19.000 0.012 0.000 1.069 259 A HN 0.765 nan 8.150 nan 0.000 0.492 260 G N 0.893 109.685 108.800 -0.013 0.000 2.442 260 G HA2 0.315 4.276 3.960 0.001 0.000 0.249 260 G HA3 0.315 4.276 3.960 0.001 0.000 0.249 260 G C -0.074 174.838 174.900 0.019 0.000 1.263 260 G CA -0.615 44.478 45.100 -0.011 0.000 0.846 260 G HN 0.752 nan 8.290 nan 0.000 0.555 261 N N 2.033 120.734 118.700 0.001 0.000 2.374 261 N HA -0.030 4.710 4.740 0.001 0.000 0.269 261 N C 0.416 175.929 175.510 0.004 0.000 1.310 261 N CA 0.374 53.420 53.050 -0.006 0.000 0.877 261 N CB 0.780 39.252 38.487 -0.025 0.000 1.096 261 N HN 0.473 nan 8.380 nan 0.000 0.484 262 K N 2.001 122.413 120.400 0.020 0.000 2.382 262 K HA 0.298 4.618 4.320 0.001 0.000 0.286 262 K C 0.880 177.449 176.600 -0.051 0.000 1.062 262 K CA -0.384 55.907 56.287 0.007 0.000 1.000 262 K CB -0.457 32.072 32.500 0.050 0.000 0.954 262 K HN 0.740 nan 8.250 nan 0.000 0.470 263 G N 2.023 110.768 108.800 -0.092 0.000 2.566 263 G HA2 -0.226 3.734 3.960 0.001 0.000 0.599 263 G HA3 -0.226 3.734 3.960 0.001 0.000 0.599 263 G C 0.258 174.924 174.900 -0.390 0.000 1.292 263 G CA -0.167 44.831 45.100 -0.170 0.000 0.922 263 G HN 0.782 nan 8.290 nan 0.000 0.514 264 T N -2.961 111.234 114.554 -0.599 0.000 3.010 264 T HA 0.415 4.765 4.350 0.001 0.000 0.257 264 T C 2.243 176.266 174.700 -1.129 0.000 1.020 264 T CA 1.277 62.574 62.100 -1.338 0.000 0.938 264 T CB 0.757 68.848 68.868 -1.296 0.000 1.049 264 T HN 1.844 nan 8.240 nan 0.000 0.522 265 G N 2.748 111.142 108.800 -0.675 0.000 2.509 265 G HA2 -0.114 3.846 3.960 0.001 0.000 0.218 265 G HA3 -0.114 3.846 3.960 0.001 0.000 0.218 265 G C 1.440 175.903 174.900 -0.728 0.000 1.124 265 G CA 0.675 45.215 45.100 -0.933 0.000 0.776 265 G HN 0.740 nan 8.290 nan 0.000 0.547 266 K N -0.896 119.237 120.400 -0.444 0.000 2.432 266 K HA 0.042 4.363 4.320 0.001 0.000 0.196 266 K C 1.795 178.377 176.600 -0.031 0.000 1.038 266 K CA 0.158 56.318 56.287 -0.213 0.000 0.986 266 K CB -0.057 32.429 32.500 -0.024 0.000 0.782 266 K HN 0.242 nan 8.250 nan 0.000 0.485 267 W N 2.479 123.672 121.300 -0.178 0.000 2.358 267 W HA -0.036 4.624 4.660 0.001 0.000 0.303 267 W C 1.918 178.396 176.519 -0.068 0.000 1.208 267 W CA 1.005 58.295 57.345 -0.093 0.000 1.274 267 W CB -1.260 28.158 29.460 -0.070 0.000 1.138 267 W HN 0.109 nan 8.180 nan 0.000 0.515 268 T N 0.186 114.783 114.554 0.071 0.000 2.708 268 T HA -0.174 4.176 4.350 0.001 0.000 0.266 268 T C 1.995 176.688 174.700 -0.011 0.000 1.037 268 T CA 2.227 64.307 62.100 -0.034 0.000 1.146 268 T CB -0.581 68.207 68.868 -0.133 0.000 0.865 268 T HN -0.005 nan 8.240 nan 0.000 0.435 269 S N 1.248 116.915 115.700 -0.055 0.000 2.382 269 S HA -0.115 4.356 4.470 0.001 0.000 0.228 269 S C 2.047 176.670 174.600 0.039 0.000 1.027 269 S CA 1.039 59.211 58.200 -0.048 0.000 0.991 269 S CB -0.292 62.815 63.200 -0.154 0.000 0.823 269 S HN 0.573 nan 8.310 nan 0.000 0.469 270 E N 0.794 121.051 120.200 0.095 0.000 2.110 270 E HA -0.097 4.254 4.350 0.001 0.000 0.193 270 E C 2.232 178.942 176.600 0.183 0.000 0.988 270 E CA 1.059 57.548 56.400 0.149 0.000 0.804 270 E CB -0.134 29.683 29.700 0.196 0.000 0.745 270 E HN 0.398 nan 8.360 nan 0.000 0.458 271 S N -0.128 115.701 115.700 0.215 0.000 2.387 271 S HA -0.081 4.390 4.470 0.001 0.000 0.226 271 S C 1.989 176.722 174.600 0.222 0.000 1.026 271 S CA 0.988 59.362 58.200 0.289 0.000 0.972 271 S CB -0.049 63.343 63.200 0.320 0.000 0.814 271 S HN 0.324 nan 8.310 nan 0.000 0.477 272 A N 1.179 124.086 122.820 0.146 0.000 1.968 272 A HA 0.174 4.495 4.320 0.001 0.000 0.217 272 A C 2.144 179.788 177.584 0.099 0.000 1.169 272 A CA 0.943 53.046 52.037 0.109 0.000 0.638 272 A CB -0.629 18.407 19.000 0.059 0.000 0.812 272 A HN 0.558 nan 8.150 nan 0.000 0.446 273 L N -0.803 120.480 121.223 0.099 0.000 2.093 273 L HA -0.189 4.152 4.340 0.001 0.000 0.208 273 L C 2.300 179.229 176.870 0.099 0.000 1.085 273 L CA 1.772 56.669 54.840 0.096 0.000 0.755 273 L CB -0.411 41.708 42.059 0.099 0.000 0.904 273 L HN 0.398 nan 8.230 nan 0.000 0.435 274 D N -0.076 120.399 120.400 0.124 0.000 2.149 274 D HA -0.127 4.514 4.640 0.001 0.000 0.201 274 D C 2.086 178.446 176.300 0.099 0.000 0.972 274 D CA 0.983 55.058 54.000 0.126 0.000 0.835 274 D CB 0.127 41.037 40.800 0.184 0.000 0.966 274 D HN 0.186 nan 8.370 nan 0.000 0.476 275 L N -1.149 120.136 121.223 0.104 0.000 2.558 275 L HA 0.286 4.627 4.340 0.001 0.000 0.225 275 L C 1.423 178.314 176.870 0.034 0.000 1.128 275 L CA 0.382 55.250 54.840 0.048 0.000 0.868 275 L CB 0.110 42.199 42.059 0.049 0.000 1.006 275 L HN 0.235 nan 8.230 nan 0.000 0.454 276 G N 0.543 109.376 108.800 0.055 0.000 2.147 276 G HA2 -0.229 3.731 3.960 0.001 0.000 0.244 276 G HA3 -0.229 3.731 3.960 0.001 0.000 0.244 276 G C 0.022 174.959 174.900 0.062 0.000 1.005 276 G CA -0.007 45.125 45.100 0.053 0.000 0.713 276 G HN 0.104 nan 8.290 nan 0.000 0.515 277 V N 2.266 122.222 119.914 0.070 0.000 2.407 277 V HA 0.486 4.606 4.120 0.001 0.000 0.278 277 V C -1.344 174.798 176.094 0.080 0.000 1.037 277 V CA -1.507 60.838 62.300 0.076 0.000 0.900 277 V CB 1.633 33.499 31.823 0.071 0.000 0.983 277 V HN 0.251 nan 8.190 nan 0.000 0.459 278 P HA 0.189 nan 4.420 nan 0.000 0.275 278 P C -0.567 176.760 177.300 0.044 0.000 1.276 278 P CA -0.048 63.126 63.100 0.124 0.000 0.782 278 P CB 0.955 32.797 31.700 0.236 0.000 0.851 279 L N 7.191 128.416 121.223 0.003 0.000 2.913 279 L HA 0.323 4.664 4.340 0.001 0.000 0.283 279 L C -1.640 175.189 176.870 -0.069 0.000 1.336 279 L CA -1.676 53.117 54.840 -0.080 0.000 0.815 279 L CB 1.024 43.045 42.059 -0.063 0.000 1.188 279 L HN 0.116 nan 8.230 nan 0.000 0.551 280 P HA -0.244 nan 4.420 nan 0.000 0.215 280 P C 1.704 178.990 177.300 -0.024 0.000 1.157 280 P CA 1.424 64.531 63.100 0.012 0.000 0.874 280 P CB 0.541 32.288 31.700 0.078 0.000 0.790 281 L N -0.691 120.488 121.223 -0.073 0.000 1.943 281 L HA -0.175 4.166 4.340 0.001 0.000 0.215 281 L C 2.766 179.603 176.870 -0.055 0.000 1.074 281 L CA 1.721 56.535 54.840 -0.043 0.000 0.759 281 L CB -0.827 41.193 42.059 -0.065 0.000 0.888 281 L HN -0.206 nan 8.230 nan 0.000 0.433 282 I N -0.673 119.839 120.570 -0.098 0.000 2.194 282 I HA -0.367 3.803 4.170 0.001 0.000 0.246 282 I C 2.309 178.329 176.117 -0.162 0.000 1.093 282 I CA 1.962 63.194 61.300 -0.114 0.000 1.355 282 I CB -0.652 37.260 38.000 -0.148 0.000 1.046 282 I HN 0.395 nan 8.210 nan 0.000 0.413 283 T N -0.165 114.279 114.554 -0.183 0.000 2.867 283 T HA -0.129 4.221 4.350 0.001 0.000 0.268 283 T C 1.774 176.280 174.700 -0.324 0.000 1.057 283 T CA 0.963 62.870 62.100 -0.321 0.000 1.136 283 T CB -0.162 68.564 68.868 -0.236 0.000 0.874 283 T HN 0.307 nan 8.240 nan 0.000 0.466 284 E N 1.482 121.630 120.200 -0.086 0.000 2.106 284 E HA -0.085 4.265 4.350 0.001 0.000 0.192 284 E C 2.690 179.282 176.600 -0.013 0.000 0.984 284 E CA 1.264 57.685 56.400 0.034 0.000 0.806 284 E CB -0.337 29.409 29.700 0.077 0.000 0.750 284 E HN 0.660 nan 8.360 nan 0.000 0.458 285 S N 0.354 116.021 115.700 -0.054 0.000 2.383 285 S HA -0.100 4.370 4.470 0.001 0.000 0.227 285 S C 2.270 176.827 174.600 -0.071 0.000 1.026 285 S CA 1.207 59.387 58.200 -0.033 0.000 0.981 285 S CB -0.597 62.605 63.200 0.003 0.000 0.818 285 S HN 0.036 nan 8.310 nan 0.000 0.472 286 V N 1.172 120.965 119.914 -0.202 0.000 2.261 286 V HA -0.107 4.013 4.120 0.001 0.000 0.246 286 V C 2.382 178.139 176.094 -0.561 0.000 1.047 286 V CA 1.927 63.992 62.300 -0.391 0.000 1.015 286 V CB -1.208 30.201 31.823 -0.690 0.000 0.642 286 V HN 0.419 nan 8.190 nan 0.000 0.446 287 F N 1.099 120.815 119.950 -0.390 0.000 2.161 287 F HA -0.130 4.397 4.527 0.001 0.000 0.300 287 F C 2.483 178.239 175.800 -0.074 0.000 1.089 287 F CA 0.928 58.777 58.000 -0.251 0.000 1.282 287 F CB -1.504 37.426 39.000 -0.118 0.000 1.010 287 F HN 0.098 nan 8.300 nan 0.000 0.485 288 A N 0.399 123.281 122.820 0.103 0.000 1.892 288 A HA -0.232 4.088 4.320 0.001 0.000 0.218 288 A C 2.475 180.108 177.584 0.082 0.000 1.188 288 A CA 1.791 53.871 52.037 0.071 0.000 0.631 288 A CB -0.674 18.341 19.000 0.025 0.000 0.822 288 A HN 0.276 nan 8.150 nan 0.000 0.447 289 R N -1.694 118.842 120.500 0.061 0.000 2.082 289 R HA -0.165 4.175 4.340 0.001 0.000 0.234 289 R C 2.098 178.573 176.300 0.292 0.000 1.136 289 R CA 1.790 57.963 56.100 0.121 0.000 0.935 289 R CB -0.781 29.582 30.300 0.105 0.000 0.842 289 R HN 0.629 nan 8.270 nan 0.000 0.430 290 Y N 0.936 121.321 120.300 0.140 0.000 2.014 290 Y HA -0.257 4.293 4.550 0.001 0.000 0.272 290 Y C 2.391 178.408 175.900 0.194 0.000 1.164 290 Y CA 0.845 59.061 58.100 0.194 0.000 1.114 290 Y CB -1.161 37.450 38.460 0.252 0.000 0.961 290 Y HN 0.074 nan 8.280 nan 0.000 0.489 291 I N -0.003 120.727 120.570 0.267 0.000 2.248 291 I HA -0.353 3.817 4.170 0.001 0.000 0.248 291 I C 2.572 178.795 176.117 0.177 0.000 1.107 291 I CA 1.960 63.318 61.300 0.096 0.000 1.373 291 I CB -0.353 37.653 38.000 0.009 0.000 1.055 291 I HN 0.323 nan 8.210 nan 0.000 0.418 292 S N -0.589 115.212 115.700 0.168 0.000 2.399 292 S HA -0.215 4.255 4.470 0.001 0.000 0.231 292 S C 2.075 176.768 174.600 0.155 0.000 1.022 292 S CA 1.522 59.802 58.200 0.134 0.000 0.983 292 S CB -1.236 62.017 63.200 0.088 0.000 0.803 292 S HN 0.684 nan 8.310 nan 0.000 0.480 293 T N -2.261 112.417 114.554 0.207 0.000 3.113 293 T HA 0.047 4.397 4.350 0.001 0.000 0.263 293 T C 0.660 175.427 174.700 0.112 0.000 1.143 293 T CA 0.257 62.438 62.100 0.136 0.000 1.090 293 T CB -0.760 68.160 68.868 0.087 0.000 0.922 293 T HN 0.469 nan 8.240 nan 0.000 0.521 294 Y N 1.228 121.545 120.300 0.028 0.000 2.676 294 Y HA 0.436 4.987 4.550 0.001 0.000 0.331 294 Y C 1.804 177.712 175.900 0.013 0.000 1.128 294 Y CA -1.187 56.923 58.100 0.017 0.000 1.360 294 Y CB -0.143 38.330 38.460 0.023 0.000 1.176 294 Y HN 0.162 nan 8.280 nan 0.000 0.518 295 K N 0.859 121.322 120.400 0.104 0.000 2.059 295 K HA -0.234 4.087 4.320 0.001 0.000 0.212 295 K C 1.311 177.939 176.600 0.046 0.000 1.050 295 K CA 2.417 58.742 56.287 0.063 0.000 0.927 295 K CB -0.149 32.371 32.500 0.034 0.000 0.714 295 K HN 0.219 nan 8.250 nan 0.000 0.447 296 D N 0.435 120.847 120.400 0.019 0.000 2.104 296 D HA -0.162 4.478 4.640 0.001 0.000 0.194 296 D C 1.841 178.160 176.300 0.032 0.000 0.994 296 D CA 1.443 55.449 54.000 0.010 0.000 0.830 296 D CB -0.195 40.595 40.800 -0.018 0.000 0.959 296 D HN 0.469 nan 8.370 nan 0.000 0.452 297 E N 0.321 120.558 120.200 0.062 0.000 2.077 297 E HA -0.134 4.216 4.350 0.001 0.000 0.193 297 E C 2.282 178.926 176.600 0.073 0.000 0.989 297 E CA 0.633 57.086 56.400 0.089 0.000 0.800 297 E CB 0.010 29.816 29.700 0.177 0.000 0.746 297 E HN 0.252 nan 8.360 nan 0.000 0.452 298 R N 0.492 121.041 120.500 0.081 0.000 2.083 298 R HA -0.134 4.206 4.340 0.001 0.000 0.237 298 R C 2.529 178.851 176.300 0.036 0.000 1.137 298 R CA 1.278 57.412 56.100 0.056 0.000 0.951 298 R CB -0.601 29.735 30.300 0.060 0.000 0.851 298 R HN 0.051 nan 8.270 nan 0.000 0.434 299 V N 1.777 121.711 119.914 0.033 0.000 2.250 299 V HA -0.350 3.770 4.120 0.001 0.000 0.250 299 V C 2.237 178.343 176.094 0.019 0.000 1.060 299 V CA 2.020 64.333 62.300 0.022 0.000 1.030 299 V CB -0.504 31.329 31.823 0.017 0.000 0.643 299 V HN 0.358 nan 8.190 nan 0.000 0.445 300 K N 0.026 120.439 120.400 0.021 0.000 2.032 300 K HA -0.162 4.159 4.320 0.001 0.000 0.209 300 K C 2.275 178.886 176.600 0.017 0.000 1.048 300 K CA 1.601 57.899 56.287 0.018 0.000 0.927 300 K CB -0.467 32.045 32.500 0.020 0.000 0.712 300 K HN 0.504 nan 8.250 nan 0.000 0.441 301 A N 1.245 124.078 122.820 0.022 0.000 1.969 301 A HA -0.155 4.165 4.320 0.001 0.000 0.218 301 A C 2.167 179.759 177.584 0.013 0.000 1.169 301 A CA 1.881 53.929 52.037 0.017 0.000 0.635 301 A CB -0.595 18.417 19.000 0.020 0.000 0.810 301 A HN 0.405 nan 8.150 nan 0.000 0.445 302 S N 0.260 115.968 115.700 0.014 0.000 2.399 302 S HA -0.181 4.289 4.470 0.001 0.000 0.231 302 S C 1.679 176.284 174.600 0.007 0.000 1.022 302 S CA 1.596 59.801 58.200 0.010 0.000 0.983 302 S CB -0.367 62.839 63.200 0.010 0.000 0.803 302 S HN 0.613 nan 8.310 nan 0.000 0.480 303 K N 0.790 121.195 120.400 0.008 0.000 2.418 303 K HA 0.146 4.466 4.320 0.001 0.000 0.195 303 K C 1.780 178.384 176.600 0.006 0.000 1.035 303 K CA 0.915 57.205 56.287 0.006 0.000 1.003 303 K CB 0.152 32.655 32.500 0.006 0.000 0.793 303 K HN 0.562 nan 8.250 nan 0.000 0.494 304 V N -2.615 117.303 119.914 0.006 0.000 3.455 304 V HA 0.237 4.358 4.120 0.001 0.000 0.250 304 V C 0.519 176.616 176.094 0.004 0.000 1.230 304 V CA -0.290 62.013 62.300 0.005 0.000 1.105 304 V CB -0.121 31.705 31.823 0.006 0.000 0.850 304 V HN -0.025 nan 8.190 nan 0.000 0.461 305 L N 1.943 123.169 121.223 0.004 0.000 2.289 305 L HA 0.542 4.882 4.340 0.001 0.000 0.285 305 L C 0.190 177.061 176.870 0.003 0.000 1.049 305 L CA -0.119 54.722 54.840 0.003 0.000 0.804 305 L CB 1.627 43.687 42.059 0.003 0.000 1.195 305 L HN 0.084 nan 8.230 nan 0.000 0.428 306 S N 1.156 116.857 115.700 0.002 0.000 2.565 306 S HA 0.635 5.106 4.470 0.001 0.000 0.274 306 S C 0.273 174.874 174.600 0.002 0.000 1.309 306 S CA -0.485 57.716 58.200 0.002 0.000 1.043 306 S CB 1.467 64.668 63.200 0.002 0.000 0.939 306 S HN 0.797 nan 8.310 nan 0.000 0.504 307 G N 2.095 110.896 108.800 0.002 0.000 2.619 307 G HA2 0.678 4.639 3.960 0.001 0.000 0.296 307 G HA3 0.678 4.639 3.960 0.001 0.000 0.296 307 G C -2.947 171.955 174.900 0.004 0.000 1.334 307 G CA -1.280 43.822 45.100 0.003 0.000 0.934 307 G HN 0.536 nan 8.290 nan 0.000 0.476 308 P HA 0.376 nan 4.420 nan 0.000 0.267 308 P C -0.157 177.147 177.300 0.007 0.000 1.200 308 P CA -0.091 63.014 63.100 0.007 0.000 0.772 308 P CB 1.534 33.241 31.700 0.011 0.000 0.855 309 A N 3.006 125.830 122.820 0.008 0.000 3.041 309 A HA 0.301 4.621 4.320 0.001 0.000 0.307 309 A C 0.239 177.831 177.584 0.013 0.000 1.116 309 A CA -0.442 51.599 52.037 0.008 0.000 1.001 309 A CB -0.577 18.426 19.000 0.005 0.000 1.112 309 A HN 0.393 nan 8.150 nan 0.000 0.556 310 L N 0.263 121.498 121.223 0.019 0.000 2.492 310 L HA 0.212 4.553 4.340 0.001 0.000 0.280 310 L C 0.106 177.000 176.870 0.041 0.000 1.240 310 L CA 0.991 55.848 54.840 0.030 0.000 0.831 310 L CB 0.274 42.358 42.059 0.041 0.000 1.100 310 L HN 0.395 nan 8.230 nan 0.000 0.505 311 D N 0.540 120.968 120.400 0.048 0.000 2.620 311 D HA 0.194 4.834 4.640 0.001 0.000 0.252 311 D C -1.007 175.347 176.300 0.090 0.000 1.207 311 D CA -0.475 53.563 54.000 0.063 0.000 0.884 311 D CB 0.699 41.516 40.800 0.029 0.000 1.262 311 D HN 0.149 nan 8.370 nan 0.000 0.552 312 F N 2.747 122.685 119.950 -0.019 0.000 2.578 312 F HA 0.222 4.749 4.527 0.001 0.000 0.376 312 F C 0.960 176.749 175.800 -0.017 0.000 1.085 312 F CA 0.764 58.753 58.000 -0.019 0.000 1.260 312 F CB 0.888 39.874 39.000 -0.023 0.000 1.095 312 F HN 0.266 nan 8.300 nan 0.000 0.573 313 S N 3.032 118.193 115.700 -0.898 0.000 2.787 313 S HA 0.258 4.728 4.470 0.001 0.000 0.255 313 S C 0.832 174.923 174.600 -0.847 0.000 1.051 313 S CA 0.032 57.816 58.200 -0.693 0.000 1.124 313 S CB 0.013 63.020 63.200 -0.322 0.000 1.104 313 S HN 0.942 nan 8.310 nan 0.000 0.623 314 G N 1.301 109.213 108.800 -1.479 0.000 2.468 314 G HA2 0.247 4.208 3.960 0.001 0.000 0.264 314 G HA3 0.247 4.208 3.960 0.001 0.000 0.264 314 G C -0.703 174.025 174.900 -0.285 0.000 1.460 314 G CA -0.148 44.566 45.100 -0.643 0.000 1.060 314 G HN 0.302 nan 8.290 nan 0.000 0.543 315 D N -1.316 119.122 120.400 0.064 0.000 2.274 315 D HA 0.261 4.901 4.640 0.001 0.000 0.239 315 D C 1.302 177.761 176.300 0.264 0.000 1.104 315 D CA -0.420 53.657 54.000 0.130 0.000 0.840 315 D CB 1.313 42.150 40.800 0.061 0.000 1.100 315 D HN 0.270 nan 8.370 nan 0.000 0.477 316 K N 2.830 123.384 120.400 0.257 0.000 2.009 316 K HA -0.201 4.119 4.320 0.001 0.000 0.210 316 K C 1.644 178.286 176.600 0.071 0.000 1.049 316 K CA 1.151 57.537 56.287 0.166 0.000 0.929 316 K CB 0.062 32.629 32.500 0.111 0.000 0.714 316 K HN 0.318 nan 8.250 nan 0.000 0.440 317 K N 1.504 121.939 120.400 0.057 0.000 2.103 317 K HA -0.198 4.123 4.320 0.001 0.000 0.207 317 K C 1.825 178.452 176.600 0.044 0.000 1.048 317 K CA 1.621 57.930 56.287 0.037 0.000 0.930 317 K CB 0.100 32.617 32.500 0.028 0.000 0.716 317 K HN 0.165 nan 8.250 nan 0.000 0.444 318 E N -0.485 119.748 120.200 0.054 0.000 2.072 318 E HA -0.148 4.202 4.350 0.001 0.000 0.191 318 E C 1.893 178.518 176.600 0.041 0.000 0.985 318 E CA 1.366 57.792 56.400 0.043 0.000 0.801 318 E CB 0.180 29.909 29.700 0.048 0.000 0.750 318 E HN 0.114 nan 8.360 nan 0.000 0.452 319 V N 1.124 121.075 119.914 0.061 0.000 2.346 319 V HA -0.204 3.916 4.120 0.001 0.000 0.244 319 V C 2.210 178.324 176.094 0.034 0.000 1.037 319 V CA 1.224 63.542 62.300 0.030 0.000 1.029 319 V CB -0.379 31.436 31.823 -0.013 0.000 0.663 319 V HN 0.234 nan 8.190 nan 0.000 0.454 320 I N 0.627 121.223 120.570 0.044 0.000 2.236 320 I HA -0.303 3.867 4.170 0.001 0.000 0.249 320 I C 2.552 178.830 176.117 0.269 0.000 1.102 320 I CA 2.011 63.394 61.300 0.139 0.000 1.365 320 I CB -0.272 37.754 38.000 0.043 0.000 1.051 320 I HN 0.362 nan 8.210 nan 0.000 0.420 321 E N 1.009 121.281 120.200 0.120 0.000 2.230 321 E HA -0.124 4.226 4.350 0.001 0.000 0.192 321 E C 1.961 178.493 176.600 -0.113 0.000 0.987 321 E CA 1.188 57.605 56.400 0.028 0.000 0.841 321 E CB 0.060 29.759 29.700 -0.001 0.000 0.783 321 E HN 0.298 nan 8.360 nan 0.000 0.481 322 K N -0.140 120.212 120.400 -0.079 0.000 2.062 322 K HA 0.059 4.380 4.320 0.001 0.000 0.205 322 K C 2.034 178.540 176.600 -0.158 0.000 1.051 322 K CA 1.275 57.477 56.287 -0.142 0.000 0.941 322 K CB -0.087 32.364 32.500 -0.081 0.000 0.719 322 K HN 0.161 nan 8.250 nan 0.000 0.440 323 I N 0.752 121.297 120.570 -0.041 0.000 2.226 323 I HA -0.287 3.883 4.170 0.001 0.000 0.245 323 I C 2.610 178.600 176.117 -0.212 0.000 1.100 323 I CA 1.078 62.393 61.300 0.024 0.000 1.374 323 I CB -0.251 37.893 38.000 0.239 0.000 1.057 323 I HN 0.162 nan 8.210 nan 0.000 0.413 324 R N 1.673 121.900 120.500 -0.455 0.000 2.083 324 R HA -0.196 4.144 4.340 0.001 0.000 0.237 324 R C 2.247 178.151 176.300 -0.659 0.000 1.137 324 R CA 1.647 57.089 56.100 -1.097 0.000 0.951 324 R CB -0.061 29.469 30.300 -1.283 0.000 0.851 324 R HN 0.336 nan 8.270 nan 0.000 0.434 325 K N -0.213 119.839 120.400 -0.580 0.000 2.097 325 K HA -0.089 4.231 4.320 0.001 0.000 0.206 325 K C 2.124 178.530 176.600 -0.323 0.000 1.049 325 K CA 1.297 57.175 56.287 -0.681 0.000 0.933 325 K CB -0.135 31.779 32.500 -0.976 0.000 0.717 325 K HN 0.199 nan 8.250 nan 0.000 0.442 326 A N 1.812 124.423 122.820 -0.349 0.000 1.877 326 A HA -0.176 4.145 4.320 0.001 0.000 0.216 326 A C 2.114 179.421 177.584 -0.462 0.000 1.186 326 A CA 1.183 52.957 52.037 -0.438 0.000 0.620 326 A CB -0.653 18.016 19.000 -0.553 0.000 0.822 326 A HN 0.224 nan 8.150 nan 0.000 0.443 327 L N -1.461 119.577 121.223 -0.307 0.000 1.978 327 L HA -0.230 4.110 4.340 0.001 0.000 0.218 327 L C 2.282 179.150 176.870 -0.003 0.000 1.075 327 L CA 2.628 57.438 54.840 -0.049 0.000 0.767 327 L CB -1.307 40.757 42.059 0.009 0.000 0.890 327 L HN 0.519 nan 8.230 nan 0.000 0.434 328 Y N -1.166 119.056 120.300 -0.131 0.000 2.242 328 Y HA -0.266 4.285 4.550 0.001 0.000 0.291 328 Y C 2.410 178.312 175.900 0.003 0.000 1.137 328 Y CA 1.841 59.895 58.100 -0.078 0.000 1.181 328 Y CB -0.500 37.962 38.460 0.003 0.000 0.989 328 Y HN 0.327 nan 8.280 nan 0.000 0.527 329 F N -0.240 119.717 119.950 0.012 0.000 2.102 329 F HA -0.185 4.342 4.527 0.001 0.000 0.298 329 F C 2.427 178.157 175.800 -0.116 0.000 1.105 329 F CA 1.997 59.967 58.000 -0.050 0.000 1.239 329 F CB -0.683 38.283 39.000 -0.056 0.000 0.991 329 F HN -0.105 nan 8.300 nan 0.000 0.474 330 S N 0.277 115.992 115.700 0.025 0.000 2.356 330 S HA -0.215 4.255 4.470 0.001 0.000 0.223 330 S C 2.007 176.584 174.600 -0.038 0.000 1.032 330 S CA 1.397 59.589 58.200 -0.012 0.000 1.005 330 S CB -0.395 62.801 63.200 -0.007 0.000 0.867 330 S HN 0.345 nan 8.310 nan 0.000 0.449 331 K N 0.821 121.190 120.400 -0.052 0.000 2.044 331 K HA -0.104 4.216 4.320 0.001 0.000 0.210 331 K C 1.955 178.537 176.600 -0.030 0.000 1.049 331 K CA 1.405 57.675 56.287 -0.029 0.000 0.927 331 K CB -0.323 32.055 32.500 -0.202 0.000 0.713 331 K HN 0.272 nan 8.250 nan 0.000 0.443 332 I N 0.784 121.193 120.570 -0.268 0.000 2.151 332 I HA -0.366 3.804 4.170 0.001 0.000 0.243 332 I C 2.321 178.358 176.117 -0.133 0.000 1.080 332 I CA 1.180 62.360 61.300 -0.201 0.000 1.339 332 I CB -0.196 37.654 38.000 -0.250 0.000 1.039 332 I HN 0.272 nan 8.210 nan 0.000 0.409 333 M N -0.465 119.005 119.600 -0.216 0.000 2.106 333 M HA -0.234 4.246 4.480 0.001 0.000 0.259 333 M C 2.557 178.768 176.300 -0.149 0.000 1.068 333 M CA 1.659 56.867 55.300 -0.152 0.000 1.100 333 M CB -1.651 30.885 32.600 -0.106 0.000 1.351 333 M HN 0.222 nan 8.290 nan 0.000 0.404 334 S N -0.606 115.068 115.700 -0.042 0.000 2.356 334 S HA -0.142 4.328 4.470 0.001 0.000 0.223 334 S C 1.922 176.511 174.600 -0.018 0.000 1.032 334 S CA 1.118 59.285 58.200 -0.055 0.000 1.005 334 S CB -0.205 62.996 63.200 0.002 0.000 0.867 334 S HN 0.402 nan 8.310 nan 0.000 0.449 335 Y N 1.677 121.996 120.300 0.033 0.000 2.163 335 Y HA 0.043 4.593 4.550 0.001 0.000 0.288 335 Y C 2.724 178.706 175.900 0.137 0.000 1.136 335 Y CA 0.729 58.943 58.100 0.190 0.000 1.147 335 Y CB -1.056 37.560 38.460 0.261 0.000 0.987 335 Y HN 0.330 nan 8.280 nan 0.000 0.509 336 A N 0.010 122.883 122.820 0.089 0.000 1.927 336 A HA -0.333 3.987 4.320 0.001 0.000 0.220 336 A C 2.104 179.673 177.584 -0.026 0.000 1.185 336 A CA 2.287 54.307 52.037 -0.028 0.000 0.639 336 A CB -0.770 18.172 19.000 -0.097 0.000 0.820 336 A HN 0.585 nan 8.150 nan 0.000 0.451 337 Q N -1.319 118.383 119.800 -0.164 0.000 2.049 337 Q HA -0.043 4.297 4.340 0.001 0.000 0.198 337 Q C 2.293 178.249 176.000 -0.074 0.000 0.971 337 Q CA 1.108 56.773 55.803 -0.231 0.000 0.833 337 Q CB -0.407 28.063 28.738 -0.447 0.000 0.896 337 Q HN 0.678 nan 8.270 nan 0.000 0.434 338 G N -0.410 108.363 108.800 -0.045 0.000 2.422 338 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 338 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 338 G C 0.986 175.861 174.900 -0.041 0.000 1.140 338 G CA 0.290 45.357 45.100 -0.055 0.000 0.775 338 G HN 0.201 nan 8.290 nan 0.000 0.545 339 F N 1.257 121.229 119.950 0.038 0.000 2.456 339 F HA 0.263 4.790 4.527 0.001 0.000 0.298 339 F C 2.797 178.587 175.800 -0.017 0.000 1.104 339 F CA 0.644 58.678 58.000 0.056 0.000 1.435 339 F CB 0.207 39.299 39.000 0.153 0.000 1.078 339 F HN 0.219 nan 8.300 nan 0.000 0.546 340 A N -0.595 122.299 122.820 0.124 0.000 1.970 340 A HA -0.186 4.135 4.320 0.001 0.000 0.216 340 A C 2.106 179.714 177.584 0.040 0.000 1.170 340 A CA 1.315 53.387 52.037 0.058 0.000 0.645 340 A CB -0.722 18.311 19.000 0.054 0.000 0.816 340 A HN 0.420 nan 8.150 nan 0.000 0.447 341 Q N -0.064 119.762 119.800 0.042 0.000 2.030 341 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 341 Q C 1.937 177.997 176.000 0.100 0.000 0.986 341 Q CA 1.873 57.720 55.803 0.074 0.000 0.843 341 Q CB -0.341 28.446 28.738 0.083 0.000 0.904 341 Q HN 0.641 nan 8.270 nan 0.000 0.420 342 L N 0.335 121.607 121.223 0.082 0.000 1.997 342 L HA -0.283 4.057 4.340 0.001 0.000 0.216 342 L C 2.920 179.857 176.870 0.111 0.000 1.074 342 L CA 1.885 56.792 54.840 0.111 0.000 0.763 342 L CB -0.643 41.428 42.059 0.020 0.000 0.890 342 L HN 0.297 nan 8.230 nan 0.000 0.434 343 R N 0.020 120.510 120.500 -0.017 0.000 2.103 343 R HA -0.218 4.123 4.340 0.001 0.000 0.242 343 R C 2.449 178.775 176.300 0.044 0.000 1.142 343 R CA 1.612 57.702 56.100 -0.017 0.000 0.960 343 R CB -0.124 30.094 30.300 -0.137 0.000 0.858 343 R HN 0.196 nan 8.270 nan 0.000 0.439 344 K N 0.101 120.507 120.400 0.010 0.000 2.025 344 K HA -0.051 4.270 4.320 0.001 0.000 0.207 344 K C 1.863 178.392 176.600 -0.118 0.000 1.049 344 K CA 1.447 57.714 56.287 -0.033 0.000 0.933 344 K CB -0.315 32.177 32.500 -0.013 0.000 0.714 344 K HN 0.225 nan 8.250 nan 0.000 0.438 345 A N 0.376 123.127 122.820 -0.116 0.000 2.024 345 A HA -0.136 4.185 4.320 0.001 0.000 0.220 345 A C 2.290 179.716 177.584 -0.263 0.000 1.164 345 A CA 2.138 54.011 52.037 -0.272 0.000 0.643 345 A CB -0.537 18.164 19.000 -0.499 0.000 0.806 345 A HN 0.366 nan 8.150 nan 0.000 0.451 346 S N -1.058 114.613 115.700 -0.048 0.000 2.387 346 S HA -0.114 4.356 4.470 0.001 0.000 0.226 346 S C 1.896 176.447 174.600 -0.081 0.000 1.026 346 S CA 1.479 59.711 58.200 0.053 0.000 0.972 346 S CB -0.194 63.151 63.200 0.241 0.000 0.814 346 S HN 0.649 nan 8.310 nan 0.000 0.477 347 E N 0.841 120.978 120.200 -0.105 0.000 2.028 347 E HA -0.134 4.217 4.350 0.001 0.000 0.191 347 E C 2.034 178.458 176.600 -0.293 0.000 0.988 347 E CA 1.380 57.693 56.400 -0.145 0.000 0.799 347 E CB -0.224 29.413 29.700 -0.104 0.000 0.755 347 E HN 0.404 nan 8.360 nan 0.000 0.447 348 E N -0.403 119.516 120.200 -0.468 0.000 2.097 348 E HA -0.189 4.161 4.350 0.001 0.000 0.196 348 E C 1.131 177.219 176.600 -0.854 0.000 1.000 348 E CA 1.463 57.419 56.400 -0.739 0.000 0.804 348 E CB -0.120 28.912 29.700 -1.114 0.000 0.740 348 E HN 0.270 nan 8.360 nan 0.000 0.454 349 F N -0.421 119.167 119.950 -0.603 0.000 2.721 349 F HA 0.267 4.794 4.527 0.001 0.000 0.301 349 F C 0.068 175.421 175.800 -0.745 0.000 1.096 349 F CA 0.241 57.725 58.000 -0.859 0.000 1.308 349 F CB 0.031 38.007 39.000 -1.707 0.000 1.086 349 F HN -0.145 nan 8.300 nan 0.000 0.587 350 D N -0.834 119.342 120.400 -0.373 0.000 3.437 350 D HA -0.217 4.424 4.640 0.001 0.000 0.243 350 D C -0.003 176.302 176.300 0.008 0.000 1.104 350 D CA 0.343 54.257 54.000 -0.142 0.000 1.009 350 D CB -0.836 39.920 40.800 -0.073 0.000 0.937 350 D HN 0.243 nan 8.370 nan 0.000 0.417 351 W N 1.517 122.809 121.300 -0.012 0.000 2.782 351 W HA 0.198 4.858 4.660 0.001 0.000 0.268 351 W C 0.394 176.857 176.519 -0.094 0.000 1.043 351 W CA 0.550 57.861 57.345 -0.056 0.000 1.387 351 W CB 0.015 29.420 29.460 -0.092 0.000 0.904 351 W HN 0.273 nan 8.180 nan 0.000 0.625 352 D N 1.525 121.998 120.400 0.122 0.000 2.697 352 D HA -0.196 4.445 4.640 0.001 0.000 0.235 352 D C 0.088 176.290 176.300 -0.163 0.000 1.167 352 D CA 0.725 54.714 54.000 -0.017 0.000 0.656 352 D CB -1.425 39.377 40.800 0.003 0.000 1.025 352 D HN 0.123 nan 8.370 nan 0.000 0.419 353 L N 1.084 122.167 121.223 -0.234 0.000 2.559 353 L HA 0.056 4.397 4.340 0.001 0.000 0.274 353 L C -1.249 175.132 176.870 -0.815 0.000 1.205 353 L CA -0.899 53.684 54.840 -0.429 0.000 0.907 353 L CB -0.009 41.903 42.059 -0.246 0.000 1.153 353 L HN -0.108 nan 8.230 nan 0.000 0.490 354 P HA 0.043 nan 4.420 nan 0.000 0.252 354 P C -0.051 176.974 177.300 -0.459 0.000 1.727 354 P CA -0.243 62.585 63.100 -0.454 0.000 1.134 354 P CB 0.104 31.652 31.700 -0.253 0.000 1.876 355 Y N 1.875 121.944 120.300 -0.385 0.000 2.165 355 Y HA -0.134 4.416 4.550 0.001 0.000 0.286 355 Y C 2.729 178.344 175.900 -0.476 0.000 1.155 355 Y CA 1.947 59.679 58.100 -0.614 0.000 1.164 355 Y CB -1.730 35.802 38.460 -1.548 0.000 0.978 355 Y HN 0.269 nan 8.280 nan 0.000 0.513 356 G N -1.126 107.533 108.800 -0.235 0.000 2.421 356 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 356 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 356 G C 1.610 176.479 174.900 -0.053 0.000 1.143 356 G CA 1.402 46.491 45.100 -0.019 0.000 0.784 356 G HN 0.395 nan 8.290 nan 0.000 0.541 357 T N 1.364 115.852 114.554 -0.109 0.000 2.851 357 T HA 0.032 4.383 4.350 0.001 0.000 0.262 357 T C 2.372 176.961 174.700 -0.185 0.000 1.043 357 T CA 0.574 62.607 62.100 -0.113 0.000 1.140 357 T CB -0.104 68.698 68.868 -0.109 0.000 0.872 357 T HN 0.223 nan 8.240 nan 0.000 0.446 358 I N 1.807 122.209 120.570 -0.280 0.000 2.145 358 I HA -0.306 3.865 4.170 0.001 0.000 0.244 358 I C 2.969 178.691 176.117 -0.658 0.000 1.075 358 I CA 1.536 62.498 61.300 -0.564 0.000 1.332 358 I CB -0.534 37.099 38.000 -0.612 0.000 1.033 358 I HN 0.236 nan 8.210 nan 0.000 0.410 359 A N -0.089 122.585 122.820 -0.244 0.000 1.902 359 A HA -0.221 4.099 4.320 0.001 0.000 0.217 359 A C 2.264 179.851 177.584 0.005 0.000 1.181 359 A CA 1.337 53.355 52.037 -0.031 0.000 0.623 359 A CB -0.464 18.547 19.000 0.018 0.000 0.818 359 A HN 0.444 nan 8.150 nan 0.000 0.443 360 Q N -0.048 119.731 119.800 -0.035 0.000 2.084 360 Q HA -0.168 4.172 4.340 0.001 0.000 0.202 360 Q C 2.103 178.123 176.000 0.033 0.000 0.978 360 Q CA 1.789 57.595 55.803 0.004 0.000 0.844 360 Q CB -0.633 28.100 28.738 -0.009 0.000 0.898 360 Q HN 0.969 nan 8.270 nan 0.000 0.426 361 I N -4.101 116.458 120.570 -0.019 0.000 3.444 361 I HA -0.015 4.156 4.170 0.001 0.000 0.287 361 I C 0.886 177.141 176.117 0.229 0.000 1.302 361 I CA 0.354 61.679 61.300 0.042 0.000 1.368 361 I CB -0.282 37.707 38.000 -0.017 0.000 1.048 361 I HN -0.011 nan 8.210 nan 0.000 0.487 362 W N 1.722 123.080 121.300 0.097 0.000 3.278 362 W HA 0.278 4.939 4.660 0.001 0.000 0.308 362 W C 2.152 178.742 176.519 0.118 0.000 1.253 362 W CA -0.442 56.989 57.345 0.143 0.000 1.759 362 W CB -0.569 29.025 29.460 0.223 0.000 1.093 362 W HN 0.162 nan 8.180 nan 0.000 0.648 363 R N 0.333 120.993 120.500 0.266 0.000 2.148 363 R HA 0.154 4.494 4.340 0.001 0.000 0.227 363 R C 0.757 177.136 176.300 0.132 0.000 1.103 363 R CA 1.105 57.308 56.100 0.173 0.000 0.983 363 R CB 0.046 30.412 30.300 0.110 0.000 0.874 363 R HN -0.068 nan 8.270 nan 0.000 0.451 364 A N -1.918 120.974 122.820 0.120 0.000 2.594 364 A HA 0.545 4.866 4.320 0.001 0.000 0.291 364 A C 0.234 177.849 177.584 0.052 0.000 1.105 364 A CA -0.147 51.924 52.037 0.057 0.000 0.694 364 A CB 1.396 20.413 19.000 0.029 0.000 1.291 364 A HN 0.170 nan 8.150 nan 0.000 0.410 365 G N -1.309 107.486 108.800 -0.008 0.000 2.153 365 G HA2 -0.025 3.935 3.960 0.001 0.000 0.252 365 G HA3 -0.025 3.935 3.960 0.001 0.000 0.252 365 G C 0.634 175.536 174.900 0.004 0.000 0.994 365 G CA 0.867 45.957 45.100 -0.018 0.000 0.698 365 G HN 2.532 nan 8.290 nan 0.000 0.521 366 C N -2.951 116.371 119.300 0.036 0.000 3.332 366 C HA 0.797 5.258 4.460 0.001 0.000 0.329 366 C C 1.514 176.582 174.990 0.130 0.000 1.434 366 C CA -0.631 58.444 59.018 0.095 0.000 1.314 366 C CB 0.615 28.463 27.740 0.181 0.000 1.664 366 C HN 0.080 nan 8.230 nan 0.000 0.457 367 I N 1.450 122.125 120.570 0.176 0.000 2.142 367 I HA -0.110 4.061 4.170 0.001 0.000 0.240 367 I C 2.119 178.338 176.117 0.169 0.000 1.078 367 I CA 2.233 63.649 61.300 0.194 0.000 1.343 367 I CB -0.336 37.730 38.000 0.110 0.000 1.046 367 I HN 0.872 nan 8.210 nan 0.000 0.405 368 I N 0.252 120.848 120.570 0.043 0.000 3.680 368 I HA 0.013 4.183 4.170 0.001 0.000 0.306 368 I C 1.111 177.347 176.117 0.200 0.000 1.260 368 I CA -0.282 61.053 61.300 0.058 0.000 1.201 368 I CB -0.701 37.212 38.000 -0.145 0.000 1.009 368 I HN 0.116 nan 8.210 nan 0.000 0.467 369 R N 2.020 122.647 120.500 0.211 0.000 2.538 369 R HA 0.582 4.923 4.340 0.001 0.000 0.282 369 R C -0.431 176.022 176.300 0.256 0.000 1.009 369 R CA 0.370 56.606 56.100 0.226 0.000 1.063 369 R CB 0.227 30.621 30.300 0.157 0.000 0.945 369 R HN 0.326 nan 8.270 nan 0.000 0.414 370 A N 2.315 125.289 122.820 0.256 0.000 2.605 370 A HA 0.231 4.551 4.320 0.001 0.000 0.294 370 A C -0.056 177.678 177.584 0.250 0.000 1.062 370 A CA -0.814 51.402 52.037 0.299 0.000 0.682 370 A CB 1.667 20.938 19.000 0.452 0.000 1.278 370 A HN 0.741 nan 8.150 nan 0.000 0.410 371 E N 0.522 120.875 120.200 0.255 0.000 2.110 371 E HA -0.144 4.206 4.350 0.001 0.000 0.193 371 E C 1.328 178.044 176.600 0.193 0.000 0.988 371 E CA 2.511 59.025 56.400 0.191 0.000 0.804 371 E CB -0.359 29.445 29.700 0.173 0.000 0.745 371 E HN 0.821 nan 8.360 nan 0.000 0.458 372 F N -0.224 119.783 119.950 0.095 0.000 2.546 372 F HA 0.049 4.576 4.527 0.001 0.000 0.298 372 F C 1.339 177.156 175.800 0.029 0.000 1.120 372 F CA 0.484 58.529 58.000 0.074 0.000 1.456 372 F CB -0.499 38.623 39.000 0.204 0.000 1.088 372 F HN -0.036 nan 8.300 nan 0.000 0.572 373 L N 0.248 121.160 121.223 -0.519 0.000 2.127 373 L HA -0.246 4.094 4.340 0.001 0.000 0.211 373 L C 2.753 179.480 176.870 -0.237 0.000 1.089 373 L CA 1.580 56.139 54.840 -0.468 0.000 0.757 373 L CB -0.882 41.112 42.059 -0.108 0.000 0.899 373 L HN 0.268 nan 8.230 nan 0.000 0.434 374 Q N 0.925 120.642 119.800 -0.138 0.000 2.112 374 Q HA -0.249 4.092 4.340 0.001 0.000 0.206 374 Q C 1.743 177.661 176.000 -0.138 0.000 0.987 374 Q CA 2.278 58.021 55.803 -0.100 0.000 0.858 374 Q CB -0.327 28.367 28.738 -0.074 0.000 0.905 374 Q HN 0.551 nan 8.270 nan 0.000 0.420 375 N N -0.762 117.813 118.700 -0.208 0.000 2.166 375 N HA -0.096 4.644 4.740 0.001 0.000 0.186 375 N C 1.604 177.114 175.510 0.000 0.000 1.019 375 N CA 1.459 54.351 53.050 -0.263 0.000 0.856 375 N CB -0.157 37.981 38.487 -0.582 0.000 0.993 375 N HN 0.279 nan 8.380 nan 0.000 0.426 376 I N 0.414 120.975 120.570 -0.014 0.000 2.179 376 I HA -0.267 3.903 4.170 0.001 0.000 0.242 376 I C 1.964 178.102 176.117 0.035 0.000 1.088 376 I CA 1.116 62.375 61.300 -0.069 0.000 1.357 376 I CB -0.531 37.276 38.000 -0.321 0.000 1.051 376 I HN 0.190 nan 8.210 nan 0.000 0.409 377 T N 0.086 114.651 114.554 0.018 0.000 2.708 377 T HA -0.182 4.169 4.350 0.001 0.000 0.266 377 T C 1.507 176.253 174.700 0.076 0.000 1.037 377 T CA 1.602 63.748 62.100 0.077 0.000 1.146 377 T CB -0.380 68.501 68.868 0.022 0.000 0.865 377 T HN 0.305 nan 8.240 nan 0.000 0.435 378 D N 1.569 121.974 120.400 0.009 0.000 2.126 378 D HA -0.128 4.512 4.640 0.001 0.000 0.190 378 D C 2.409 178.718 176.300 0.015 0.000 1.001 378 D CA 1.552 55.548 54.000 -0.006 0.000 0.841 378 D CB -0.716 40.043 40.800 -0.069 0.000 0.949 378 D HN 0.409 nan 8.370 nan 0.000 0.446 379 A N 0.272 123.094 122.820 0.003 0.000 1.892 379 A HA -0.213 4.107 4.320 0.001 0.000 0.218 379 A C 2.174 179.689 177.584 -0.115 0.000 1.188 379 A CA 1.468 53.465 52.037 -0.066 0.000 0.631 379 A CB -1.094 17.834 19.000 -0.120 0.000 0.822 379 A HN 0.192 nan 8.150 nan 0.000 0.447 380 F N 0.368 120.332 119.950 0.023 0.000 2.259 380 F HA -0.074 4.454 4.527 0.001 0.000 0.298 380 F C 2.065 177.896 175.800 0.051 0.000 1.088 380 F CA 1.226 59.258 58.000 0.054 0.000 1.358 380 F CB -0.307 38.744 39.000 0.084 0.000 1.040 380 F HN 0.197 nan 8.300 nan 0.000 0.505 381 D N 0.377 120.888 120.400 0.185 0.000 2.116 381 D HA -0.211 4.429 4.640 0.001 0.000 0.193 381 D C 2.174 178.525 176.300 0.085 0.000 0.998 381 D CA 1.291 55.357 54.000 0.110 0.000 0.836 381 D CB -0.381 40.459 40.800 0.067 0.000 0.951 381 D HN 0.196 nan 8.370 nan 0.000 0.449 382 K N -0.265 120.173 120.400 0.063 0.000 2.063 382 K HA -0.143 4.177 4.320 0.001 0.000 0.208 382 K C -0.031 176.602 176.600 0.055 0.000 1.048 382 K CA 1.202 57.516 56.287 0.044 0.000 0.928 382 K CB 0.286 32.800 32.500 0.023 0.000 0.713 382 K HN -0.004 nan 8.250 nan 0.000 0.442 383 D N -1.428 119.015 120.400 0.072 0.000 2.365 383 D HA 0.035 4.675 4.640 0.001 0.000 0.235 383 D C 0.307 176.718 176.300 0.186 0.000 1.368 383 D CA -0.129 53.927 54.000 0.094 0.000 1.001 383 D CB 1.371 42.204 40.800 0.055 0.000 1.364 383 D HN 0.045 nan 8.370 nan 0.000 0.577 384 S N 2.928 118.761 115.700 0.220 0.000 2.419 384 S HA -0.156 4.314 4.470 0.001 0.000 0.235 384 S C 1.077 175.919 174.600 0.404 0.000 1.019 384 S CA 0.862 59.259 58.200 0.329 0.000 0.982 384 S CB -0.023 63.292 63.200 0.192 0.000 0.789 384 S HN 0.448 nan 8.310 nan 0.000 0.490 385 E N 0.714 121.071 120.200 0.262 0.000 2.476 385 E HA 0.217 4.568 4.350 0.001 0.000 0.191 385 E C 0.128 176.844 176.600 0.193 0.000 1.064 385 E CA -0.267 56.273 56.400 0.232 0.000 0.866 385 E CB -0.195 29.594 29.700 0.148 0.000 0.952 385 E HN 0.516 nan 8.360 nan 0.000 0.492 386 L N 2.126 123.452 121.223 0.172 0.000 2.700 386 L HA -0.111 4.229 4.340 0.001 0.000 0.276 386 L C 1.101 177.996 176.870 0.043 0.000 1.200 386 L CA 0.617 55.473 54.840 0.027 0.000 0.951 386 L CB 0.390 42.327 42.059 -0.204 0.000 1.226 386 L HN -0.046 nan 8.230 nan 0.000 0.489 387 E N 2.858 123.084 120.200 0.042 0.000 2.150 387 E HA -0.077 4.274 4.350 0.001 0.000 0.193 387 E C 0.223 176.848 176.600 0.043 0.000 0.985 387 E CA 0.947 57.385 56.400 0.062 0.000 0.814 387 E CB 0.098 29.850 29.700 0.087 0.000 0.752 387 E HN 0.649 nan 8.360 nan 0.000 0.466 388 N N -0.758 117.939 118.700 -0.004 0.000 2.493 388 N HA 0.048 4.788 4.740 0.001 0.000 0.279 388 N C 0.176 175.600 175.510 -0.144 0.000 1.082 388 N CA -0.169 52.851 53.050 -0.050 0.000 0.963 388 N CB 1.223 39.698 38.487 -0.020 0.000 1.627 388 N HN -0.064 nan 8.380 nan 0.000 0.499 389 L N 2.570 123.644 121.223 -0.249 0.000 2.137 389 L HA -0.194 4.146 4.340 0.001 0.000 0.213 389 L C 2.059 178.766 176.870 -0.272 0.000 1.085 389 L CA 1.313 55.905 54.840 -0.414 0.000 0.760 389 L CB -0.145 41.519 42.059 -0.658 0.000 0.893 389 L HN 0.590 nan 8.230 nan 0.000 0.434 390 L N -0.522 120.606 121.223 -0.160 0.000 2.187 390 L HA -0.211 4.130 4.340 0.001 0.000 0.213 390 L C 1.876 178.816 176.870 0.117 0.000 1.100 390 L CA 0.926 55.774 54.840 0.014 0.000 0.765 390 L CB -0.350 41.740 42.059 0.051 0.000 0.904 390 L HN 0.350 nan 8.230 nan 0.000 0.437 391 L N -0.548 120.724 121.223 0.083 0.000 2.653 391 L HA 0.117 4.457 4.340 0.001 0.000 0.232 391 L C 0.383 177.297 176.870 0.073 0.000 1.169 391 L CA 0.032 54.926 54.840 0.090 0.000 0.951 391 L CB -0.394 41.711 42.059 0.078 0.000 1.181 391 L HN 0.205 nan 8.230 nan 0.000 0.460 392 D N -0.384 120.085 120.400 0.115 0.000 2.350 392 D HA 0.034 4.675 4.640 0.001 0.000 0.245 392 D C 0.189 176.572 176.300 0.138 0.000 1.036 392 D CA -0.453 53.618 54.000 0.118 0.000 0.848 392 D CB 2.114 42.995 40.800 0.135 0.000 1.307 392 D HN -0.089 nan 8.370 nan 0.000 0.469 393 D N 1.780 122.229 120.400 0.082 0.000 2.170 393 D HA -0.252 4.388 4.640 0.001 0.000 0.193 393 D C 1.390 177.703 176.300 0.020 0.000 1.004 393 D CA 1.359 55.389 54.000 0.049 0.000 0.860 393 D CB -0.169 40.653 40.800 0.036 0.000 0.931 393 D HN 0.570 nan 8.370 nan 0.000 0.448 394 Y N 0.036 120.264 120.300 -0.120 0.000 2.200 394 Y HA -0.191 4.359 4.550 0.001 0.000 0.290 394 Y C 1.973 177.662 175.900 -0.352 0.000 1.137 394 Y CA 1.440 59.358 58.100 -0.304 0.000 1.163 394 Y CB -0.423 37.739 38.460 -0.497 0.000 0.988 394 Y HN -0.134 nan 8.280 nan 0.000 0.518 395 F N -1.479 118.406 119.950 -0.108 0.000 2.270 395 F HA -0.066 4.461 4.527 0.001 0.000 0.295 395 F C 2.336 178.060 175.800 -0.126 0.000 1.087 395 F CA 0.980 58.877 58.000 -0.171 0.000 1.365 395 F CB -1.033 37.945 39.000 -0.035 0.000 1.056 395 F HN -0.196 nan 8.300 nan 0.000 0.506 396 V N 0.624 120.604 119.914 0.111 0.000 2.277 396 V HA -0.408 3.712 4.120 0.001 0.000 0.253 396 V C 2.051 178.138 176.094 -0.011 0.000 1.067 396 V CA 2.527 64.872 62.300 0.074 0.000 1.047 396 V CB -0.693 31.168 31.823 0.065 0.000 0.649 396 V HN 0.325 nan 8.190 nan 0.000 0.447 397 D N -0.763 119.566 120.400 -0.118 0.000 2.084 397 D HA -0.140 4.501 4.640 0.001 0.000 0.196 397 D C 2.094 178.234 176.300 -0.265 0.000 0.985 397 D CA 1.191 55.086 54.000 -0.176 0.000 0.826 397 D CB -0.076 40.595 40.800 -0.215 0.000 0.978 397 D HN 0.269 nan 8.370 nan 0.000 0.456 398 I N 1.119 121.427 120.570 -0.436 0.000 2.163 398 I HA -0.266 3.905 4.170 0.001 0.000 0.243 398 I C 2.567 178.508 176.117 -0.293 0.000 1.085 398 I CA 1.850 62.811 61.300 -0.565 0.000 1.347 398 I CB -1.624 36.040 38.000 -0.560 0.000 1.044 398 I HN 0.331 nan 8.210 nan 0.000 0.408 399 T N -0.876 113.648 114.554 -0.051 0.000 2.708 399 T HA -0.251 4.099 4.350 0.001 0.000 0.266 399 T C 1.953 176.701 174.700 0.080 0.000 1.037 399 T CA 1.474 63.668 62.100 0.157 0.000 1.146 399 T CB -0.405 68.556 68.868 0.155 0.000 0.865 399 T HN 0.278 nan 8.240 nan 0.000 0.435 400 K N 1.262 121.690 120.400 0.048 0.000 1.991 400 K HA -0.135 4.186 4.320 0.001 0.000 0.212 400 K C 2.639 179.250 176.600 0.018 0.000 1.049 400 K CA 1.339 57.651 56.287 0.043 0.000 0.932 400 K CB -0.151 32.369 32.500 0.032 0.000 0.717 400 K HN 0.347 nan 8.250 nan 0.000 0.441 401 R N -1.100 119.396 120.500 -0.007 0.000 2.235 401 R HA -0.098 4.242 4.340 0.001 0.000 0.213 401 R C 1.514 177.964 176.300 0.249 0.000 1.059 401 R CA 0.823 56.961 56.100 0.063 0.000 0.997 401 R CB -0.033 30.275 30.300 0.014 0.000 0.884 401 R HN 0.320 nan 8.270 nan 0.000 0.462 402 Y N 1.059 121.307 120.300 -0.087 0.000 2.462 402 Y HA 0.032 4.582 4.550 0.001 0.000 0.253 402 Y C 2.331 178.026 175.900 -0.342 0.000 1.095 402 Y CA -0.273 57.740 58.100 -0.146 0.000 1.283 402 Y CB -0.145 38.295 38.460 -0.034 0.000 1.138 402 Y HN 0.131 nan 8.280 nan 0.000 0.522 403 Q N 0.635 120.288 119.800 -0.246 0.000 2.084 403 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 403 Q C 1.867 177.643 176.000 -0.373 0.000 0.978 403 Q CA 1.976 57.439 55.803 -0.567 0.000 0.844 403 Q CB -0.561 27.922 28.738 -0.425 0.000 0.898 403 Q HN 0.509 nan 8.270 nan 0.000 0.426 404 E N 1.274 121.358 120.200 -0.193 0.000 2.065 404 E HA -0.307 4.044 4.350 0.001 0.000 0.201 404 E C 2.000 178.504 176.600 -0.160 0.000 1.016 404 E CA 1.803 58.123 56.400 -0.134 0.000 0.818 404 E CB -0.371 29.282 29.700 -0.077 0.000 0.749 404 E HN 0.500 nan 8.360 nan 0.000 0.453 405 A N 0.438 123.143 122.820 -0.191 0.000 1.883 405 A HA -0.171 4.150 4.320 0.001 0.000 0.217 405 A C 2.459 179.913 177.584 -0.217 0.000 1.186 405 A CA 1.801 53.720 52.037 -0.196 0.000 0.624 405 A CB -0.894 17.957 19.000 -0.249 0.000 0.822 405 A HN 0.244 nan 8.150 nan 0.000 0.444 406 V N 0.839 120.555 119.914 -0.330 0.000 2.231 406 V HA -0.393 3.728 4.120 0.001 0.000 0.250 406 V C 2.612 178.588 176.094 -0.197 0.000 1.058 406 V CA 2.465 64.555 62.300 -0.351 0.000 1.022 406 V CB -1.156 30.292 31.823 -0.625 0.000 0.640 406 V HN 0.579 nan 8.190 nan 0.000 0.445 407 R N 0.436 120.827 120.500 -0.183 0.000 2.113 407 R HA -0.219 4.122 4.340 0.001 0.000 0.244 407 R C 1.978 178.250 176.300 -0.047 0.000 1.142 407 R CA 2.017 58.063 56.100 -0.089 0.000 0.953 407 R CB -0.850 29.404 30.300 -0.076 0.000 0.860 407 R HN 0.576 nan 8.270 nan 0.000 0.438 408 D N 0.311 120.678 120.400 -0.055 0.000 2.149 408 D HA -0.060 4.581 4.640 0.001 0.000 0.201 408 D C 2.079 178.379 176.300 0.001 0.000 0.972 408 D CA 0.655 54.644 54.000 -0.019 0.000 0.835 408 D CB -0.258 40.530 40.800 -0.020 0.000 0.966 408 D HN -0.008 nan 8.370 nan 0.000 0.476 409 V N 0.784 120.688 119.914 -0.016 0.000 2.343 409 V HA -0.203 3.918 4.120 0.001 0.000 0.247 409 V C 2.605 178.743 176.094 0.072 0.000 1.051 409 V CA 0.998 63.316 62.300 0.030 0.000 1.036 409 V CB -0.317 31.516 31.823 0.016 0.000 0.654 409 V HN 0.058 nan 8.190 nan 0.000 0.451 410 V N -0.177 119.767 119.914 0.050 0.000 2.255 410 V HA -0.265 3.856 4.120 0.001 0.000 0.247 410 V C 2.555 178.684 176.094 0.057 0.000 1.051 410 V CA 2.516 64.859 62.300 0.073 0.000 1.018 410 V CB -0.764 31.090 31.823 0.053 0.000 0.641 410 V HN 0.574 nan 8.190 nan 0.000 0.445 411 S N -0.174 115.548 115.700 0.037 0.000 2.368 411 S HA -0.182 4.288 4.470 0.001 0.000 0.225 411 S C 1.861 176.487 174.600 0.043 0.000 1.030 411 S CA 1.689 59.910 58.200 0.035 0.000 0.999 411 S CB -0.428 62.787 63.200 0.025 0.000 0.844 411 S HN 0.404 nan 8.310 nan 0.000 0.459 412 L N 1.631 122.883 121.223 0.049 0.000 1.994 412 L HA -0.073 4.267 4.340 0.001 0.000 0.208 412 L C 2.461 179.359 176.870 0.047 0.000 1.071 412 L CA 1.840 56.716 54.840 0.060 0.000 0.745 412 L CB -0.901 41.197 42.059 0.066 0.000 0.892 412 L HN 0.270 nan 8.230 nan 0.000 0.431 413 A N -1.213 121.634 122.820 0.045 0.000 1.845 413 A HA -0.178 4.142 4.320 0.001 0.000 0.215 413 A C 2.246 179.848 177.584 0.031 0.000 1.195 413 A CA 2.206 54.263 52.037 0.033 0.000 0.616 413 A CB -1.213 17.818 19.000 0.052 0.000 0.832 413 A HN 0.278 nan 8.150 nan 0.000 0.443 414 V N 0.099 120.037 119.914 0.041 0.000 2.255 414 V HA -0.304 3.816 4.120 0.001 0.000 0.247 414 V C 2.789 178.900 176.094 0.028 0.000 1.051 414 V CA 2.168 64.489 62.300 0.035 0.000 1.018 414 V CB -0.896 30.951 31.823 0.040 0.000 0.641 414 V HN 0.545 nan 8.190 nan 0.000 0.445 415 Q N -0.002 119.817 119.800 0.032 0.000 2.077 415 Q HA -0.199 4.142 4.340 0.001 0.000 0.206 415 Q C 2.340 178.357 176.000 0.029 0.000 0.989 415 Q CA 2.236 58.057 55.803 0.030 0.000 0.853 415 Q CB -0.782 27.977 28.738 0.035 0.000 0.907 415 Q HN 0.674 nan 8.270 nan 0.000 0.418 416 A N -0.621 122.219 122.820 0.032 0.000 2.167 416 A HA 0.238 4.558 4.320 0.001 0.000 0.214 416 A C 1.447 179.038 177.584 0.012 0.000 1.151 416 A CA 1.185 53.238 52.037 0.027 0.000 0.735 416 A CB -0.295 18.724 19.000 0.031 0.000 0.802 416 A HN 0.479 nan 8.150 nan 0.000 0.467 417 G N -1.285 107.522 108.800 0.010 0.000 2.149 417 G HA2 -0.199 3.762 3.960 0.001 0.000 0.235 417 G HA3 -0.199 3.762 3.960 0.001 0.000 0.235 417 G C 0.239 175.136 174.900 -0.005 0.000 1.018 417 G CA 0.381 45.484 45.100 0.004 0.000 0.728 417 G HN 0.559 nan 8.290 nan 0.000 0.508 418 T N 2.906 117.454 114.554 -0.011 0.000 2.771 418 T HA 0.530 4.880 4.350 0.001 0.000 0.291 418 T C -1.895 172.790 174.700 -0.024 0.000 0.954 418 T CA -0.657 61.426 62.100 -0.028 0.000 1.045 418 T CB 1.916 70.755 68.868 -0.048 0.000 0.917 418 T HN 0.209 nan 8.240 nan 0.000 0.484 419 P HA 0.305 nan 4.420 nan 0.000 0.281 419 P C -0.570 176.703 177.300 -0.044 0.000 1.286 419 P CA -0.395 62.693 63.100 -0.021 0.000 0.772 419 P CB -0.062 31.628 31.700 -0.016 0.000 0.862 420 I N 2.245 122.799 120.570 -0.026 0.000 2.750 420 I HA 0.369 4.540 4.170 0.001 0.000 0.279 420 I C -1.933 174.201 176.117 0.028 0.000 1.206 420 I CA -2.858 58.408 61.300 -0.057 0.000 1.101 420 I CB 1.719 39.677 38.000 -0.070 0.000 1.431 420 I HN 0.009 nan 8.210 nan 0.000 0.551 421 P HA -0.166 nan 4.420 nan 0.000 0.217 421 P C 1.423 178.789 177.300 0.110 0.000 1.150 421 P CA 2.000 65.141 63.100 0.067 0.000 0.832 421 P CB 0.057 31.792 31.700 0.057 0.000 0.787 422 T N -4.674 109.948 114.554 0.112 0.000 3.009 422 T HA 0.004 4.355 4.350 0.001 0.000 0.258 422 T C 1.758 176.657 174.700 0.332 0.000 1.063 422 T CA 0.320 62.526 62.100 0.176 0.000 1.139 422 T CB -0.985 67.968 68.868 0.142 0.000 0.890 422 T HN -0.209 nan 8.240 nan 0.000 0.471 423 F N 3.385 123.385 119.950 0.084 0.000 2.051 423 F HA -0.054 4.474 4.527 0.001 0.000 0.296 423 F C 3.076 178.944 175.800 0.114 0.000 1.122 423 F CA 1.321 59.381 58.000 0.100 0.000 1.201 423 F CB -1.528 37.518 39.000 0.077 0.000 0.978 423 F HN 0.374 nan 8.300 nan 0.000 0.472 424 T N -3.103 111.631 114.554 0.300 0.000 2.699 424 T HA -0.240 4.110 4.350 0.001 0.000 0.268 424 T C 2.274 177.090 174.700 0.194 0.000 1.036 424 T CA 1.702 63.921 62.100 0.199 0.000 1.147 424 T CB -1.067 67.889 68.868 0.148 0.000 0.862 424 T HN 0.191 nan 8.240 nan 0.000 0.446 425 S N 1.336 117.153 115.700 0.194 0.000 2.356 425 S HA 0.002 4.473 4.470 0.001 0.000 0.223 425 S C 2.500 177.236 174.600 0.228 0.000 1.032 425 S CA 1.323 59.634 58.200 0.185 0.000 1.005 425 S CB -1.019 62.271 63.200 0.150 0.000 0.867 425 S HN 0.764 nan 8.310 nan 0.000 0.449 426 A N 1.200 124.161 122.820 0.236 0.000 1.873 426 A HA -0.114 4.206 4.320 0.001 0.000 0.218 426 A C 2.092 179.911 177.584 0.391 0.000 1.193 426 A CA 1.838 54.032 52.037 0.262 0.000 0.629 426 A CB -0.929 18.205 19.000 0.223 0.000 0.826 426 A HN 0.569 nan 8.150 nan 0.000 0.447 427 I N -0.041 120.749 120.570 0.367 0.000 2.614 427 I HA -0.115 4.055 4.170 0.001 0.000 0.258 427 I C 2.307 178.627 176.117 0.338 0.000 1.189 427 I CA 1.535 63.063 61.300 0.380 0.000 1.462 427 I CB -0.274 37.835 38.000 0.183 0.000 1.092 427 I HN 0.224 nan 8.210 nan 0.000 0.442 428 S N -0.700 115.166 115.700 0.276 0.000 2.377 428 S HA -0.162 4.309 4.470 0.001 0.000 0.223 428 S C 1.903 176.651 174.600 0.247 0.000 1.030 428 S CA 0.942 59.276 58.200 0.224 0.000 0.970 428 S CB -0.568 62.740 63.200 0.181 0.000 0.830 428 S HN 0.582 nan 8.310 nan 0.000 0.473 429 Y N 1.440 121.841 120.300 0.168 0.000 2.114 429 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 429 Y C 2.145 178.161 175.900 0.193 0.000 1.165 429 Y CA 1.610 59.797 58.100 0.145 0.000 1.148 429 Y CB -0.746 37.772 38.460 0.096 0.000 0.972 429 Y HN 0.280 nan 8.280 nan 0.000 0.504 430 Y N 1.433 121.828 120.300 0.158 0.000 2.014 430 Y HA -0.323 4.228 4.550 0.001 0.000 0.270 430 Y C 2.418 178.364 175.900 0.076 0.000 1.145 430 Y CA 2.427 60.605 58.100 0.129 0.000 1.106 430 Y CB -0.880 37.804 38.460 0.373 0.000 0.968 430 Y HN 0.179 nan 8.280 nan 0.000 0.484 431 D N -0.822 119.648 120.400 0.116 0.000 2.221 431 D HA -0.144 4.496 4.640 0.001 0.000 0.204 431 D C 2.267 178.523 176.300 -0.073 0.000 0.982 431 D CA 1.519 55.516 54.000 -0.005 0.000 0.857 431 D CB -0.167 40.694 40.800 0.102 0.000 0.934 431 D HN 0.363 nan 8.370 nan 0.000 0.475 432 S N -0.152 115.520 115.700 -0.047 0.000 2.357 432 S HA -0.146 4.325 4.470 0.001 0.000 0.221 432 S C 1.843 176.367 174.600 -0.126 0.000 1.031 432 S CA 0.301 58.464 58.200 -0.061 0.000 0.982 432 S CB -0.379 62.817 63.200 -0.006 0.000 0.853 432 S HN 0.305 nan 8.310 nan 0.000 0.458 433 Y N 3.491 123.570 120.300 -0.369 0.000 2.224 433 Y HA -0.156 4.394 4.550 0.001 0.000 0.289 433 Y C 2.450 178.174 175.900 -0.295 0.000 1.146 433 Y CA 1.734 59.593 58.100 -0.402 0.000 1.182 433 Y CB -0.194 37.889 38.460 -0.629 0.000 0.983 433 Y HN 0.207 nan 8.280 nan 0.000 0.524 434 R N -0.705 119.590 120.500 -0.341 0.000 2.200 434 R HA 0.100 4.440 4.340 0.001 0.000 0.208 434 R C 0.618 176.775 176.300 -0.239 0.000 1.033 434 R CA 0.705 56.603 56.100 -0.337 0.000 1.000 434 R CB -0.693 29.384 30.300 -0.372 0.000 0.906 434 R HN 0.085 nan 8.270 nan 0.000 0.462 435 S N 2.420 118.006 115.700 -0.190 0.000 2.571 435 S HA -0.052 4.418 4.470 0.001 0.000 0.297 435 S C 0.790 175.310 174.600 -0.134 0.000 1.234 435 S CA -0.037 58.086 58.200 -0.129 0.000 1.120 435 S CB 1.068 64.215 63.200 -0.088 0.000 0.923 435 S HN 0.433 nan 8.310 nan 0.000 0.504 436 E N 3.935 124.066 120.200 -0.114 0.000 2.038 436 E HA -0.192 4.158 4.350 0.001 0.000 0.195 436 E C 0.032 176.584 176.600 -0.079 0.000 1.000 436 E CA 0.936 57.274 56.400 -0.103 0.000 0.803 436 E CB 0.148 29.800 29.700 -0.081 0.000 0.750 436 E HN 0.566 nan 8.360 nan 0.000 0.448 437 N N 0.594 119.257 118.700 -0.062 0.000 2.399 437 N HA 0.307 5.047 4.740 0.001 0.000 0.295 437 N C -0.850 174.634 175.510 -0.042 0.000 1.048 437 N CA -0.254 52.769 53.050 -0.047 0.000 0.886 437 N CB 1.895 40.359 38.487 -0.038 0.000 1.185 437 N HN 0.067 nan 8.380 nan 0.000 0.487 438 L N 2.044 123.247 121.223 -0.034 0.000 2.319 438 L HA 0.462 4.802 4.340 0.001 0.000 0.267 438 L C -1.427 175.432 176.870 -0.019 0.000 1.011 438 L CA -1.771 53.055 54.840 -0.024 0.000 0.818 438 L CB 2.338 44.386 42.059 -0.018 0.000 1.316 438 L HN 0.353 nan 8.230 nan 0.000 0.432 439 P HA 0.015 nan 4.420 nan 0.000 0.258 439 P C 0.674 177.963 177.300 -0.017 0.000 1.319 439 P CA 0.132 63.221 63.100 -0.019 0.000 0.785 439 P CB 0.225 31.915 31.700 -0.015 0.000 1.252 440 A N 1.757 124.571 122.820 -0.010 0.000 2.125 440 A HA -0.200 4.120 4.320 0.001 0.000 0.219 440 A C 2.102 179.679 177.584 -0.011 0.000 1.156 440 A CA 1.384 53.419 52.037 -0.003 0.000 0.671 440 A CB -1.055 17.950 19.000 0.009 0.000 0.794 440 A HN 0.337 nan 8.150 nan 0.000 0.459 441 N N 0.520 119.205 118.700 -0.024 0.000 2.120 441 N HA -0.178 4.563 4.740 0.001 0.000 0.188 441 N C 1.489 176.961 175.510 -0.064 0.000 1.024 441 N CA 1.712 54.735 53.050 -0.044 0.000 0.852 441 N CB -0.827 37.627 38.487 -0.055 0.000 1.003 441 N HN 0.358 nan 8.380 nan 0.000 0.424 442 L N 0.943 122.130 121.223 -0.060 0.000 2.056 442 L HA 0.101 4.442 4.340 0.001 0.000 0.207 442 L C 2.326 179.148 176.870 -0.080 0.000 1.078 442 L CA 1.047 55.840 54.840 -0.078 0.000 0.749 442 L CB -0.765 41.254 42.059 -0.066 0.000 0.901 442 L HN 0.113 nan 8.230 nan 0.000 0.433 443 I N -0.832 119.710 120.570 -0.047 0.000 2.163 443 I HA -0.341 3.829 4.170 0.001 0.000 0.243 443 I C 2.551 178.638 176.117 -0.049 0.000 1.085 443 I CA 1.116 62.395 61.300 -0.034 0.000 1.347 443 I CB -0.413 37.584 38.000 -0.005 0.000 1.044 443 I HN 0.347 nan 8.210 nan 0.000 0.408 444 Q N 0.454 120.238 119.800 -0.026 0.000 2.077 444 Q HA -0.227 4.113 4.340 0.001 0.000 0.206 444 Q C 2.425 178.427 176.000 0.003 0.000 0.989 444 Q CA 2.144 57.956 55.803 0.015 0.000 0.853 444 Q CB -0.629 28.137 28.738 0.047 0.000 0.907 444 Q HN 0.611 nan 8.270 nan 0.000 0.418 445 A N 0.659 123.431 122.820 -0.080 0.000 1.902 445 A HA -0.249 4.072 4.320 0.001 0.000 0.217 445 A C 2.104 179.492 177.584 -0.327 0.000 1.181 445 A CA 1.738 53.694 52.037 -0.135 0.000 0.623 445 A CB -0.539 18.364 19.000 -0.162 0.000 0.818 445 A HN 0.452 nan 8.150 nan 0.000 0.443 446 Q N -0.634 118.995 119.800 -0.284 0.000 2.050 446 Q HA -0.181 4.160 4.340 0.001 0.000 0.202 446 Q C 2.349 178.067 176.000 -0.470 0.000 0.980 446 Q CA 1.745 57.358 55.803 -0.316 0.000 0.840 446 Q CB -0.205 28.447 28.738 -0.143 0.000 0.898 446 Q HN 0.650 nan 8.270 nan 0.000 0.424 447 R N 0.397 120.624 120.500 -0.455 0.000 2.096 447 R HA -0.145 4.195 4.340 0.001 0.000 0.235 447 R C 1.858 177.932 176.300 -0.377 0.000 1.127 447 R CA 1.475 57.153 56.100 -0.703 0.000 0.968 447 R CB -0.232 29.927 30.300 -0.235 0.000 0.861 447 R HN 0.263 nan 8.270 nan 0.000 0.440 448 D N 0.074 120.445 120.400 -0.048 0.000 2.117 448 D HA -0.196 4.444 4.640 0.001 0.000 0.198 448 D C 1.703 178.088 176.300 0.142 0.000 0.982 448 D CA 0.913 55.066 54.000 0.254 0.000 0.828 448 D CB -0.071 41.126 40.800 0.662 0.000 0.967 448 D HN 0.157 nan 8.370 nan 0.000 0.464 449 Y N 0.581 120.543 120.300 -0.564 0.000 2.070 449 Y HA -0.242 4.308 4.550 0.001 0.000 0.280 449 Y C 2.015 177.841 175.900 -0.124 0.000 1.148 449 Y CA 2.425 59.987 58.100 -0.897 0.000 1.125 449 Y CB -0.992 36.713 38.460 -1.258 0.000 0.975 449 Y HN 0.147 nan 8.280 nan 0.000 0.492 450 F N -1.059 119.075 119.950 0.306 0.000 2.367 450 F HA 0.309 4.836 4.527 0.001 0.000 0.298 450 F C 1.846 177.767 175.800 0.201 0.000 1.094 450 F CA 1.045 59.233 58.000 0.313 0.000 1.409 450 F CB -0.929 38.211 39.000 0.233 0.000 1.064 450 F HN -0.013 nan 8.300 nan 0.000 0.528 451 G N -1.264 107.620 108.800 0.140 0.000 3.651 451 G HA2 0.412 4.372 3.960 0.001 0.000 0.267 451 G HA3 0.412 4.372 3.960 0.001 0.000 0.267 451 G C 0.786 175.482 174.900 -0.340 0.000 1.009 451 G CA 0.004 45.087 45.100 -0.027 0.000 0.866 451 G HN 0.862 nan 8.290 nan 0.000 0.488 452 A N 0.729 123.518 122.820 -0.052 0.000 2.745 452 A HA -0.233 4.087 4.320 0.001 0.000 0.296 452 A C 1.186 178.716 177.584 -0.090 0.000 1.500 452 A CA 1.062 53.123 52.037 0.041 0.000 0.766 452 A CB -2.442 16.427 19.000 -0.217 0.000 1.030 452 A HN 0.569 nan 8.150 nan 0.000 0.489 453 H N 0.338 119.465 119.070 0.095 0.000 2.563 453 H HA 0.098 4.654 4.556 0.001 0.000 0.272 453 H C 1.348 176.734 175.328 0.096 0.000 1.005 453 H CA 2.006 58.093 56.048 0.065 0.000 1.171 453 H CB -0.309 29.472 29.762 0.030 0.000 1.351 453 H HN 1.640 nan 8.280 nan 0.000 0.602 454 T N -0.843 113.863 114.554 0.253 0.000 0.542 454 T HA -0.212 4.138 4.350 0.001 0.000 0.774 454 T C -0.449 174.374 174.700 0.203 0.000 0.992 454 T CA 0.505 62.709 62.100 0.173 0.000 4.076 454 T CB -1.688 67.206 68.868 0.044 0.000 2.303 454 T HN 0.525 nan 8.240 nan 0.000 0.398 455 Y N 0.889 121.334 120.300 0.242 0.000 2.650 455 Y HA 0.931 5.481 4.550 0.001 0.000 0.331 455 Y C 0.251 176.293 175.900 0.236 0.000 1.082 455 Y CA -1.596 56.627 58.100 0.205 0.000 1.171 455 Y CB 1.065 39.644 38.460 0.198 0.000 1.326 455 Y HN 0.899 nan 8.280 nan 0.000 0.513 456 E N 0.624 121.091 120.200 0.444 0.000 2.232 456 E HA 0.519 4.870 4.350 0.001 0.000 0.264 456 E C -0.967 175.919 176.600 0.478 0.000 0.973 456 E CA -1.200 55.437 56.400 0.395 0.000 0.849 456 E CB 1.623 31.463 29.700 0.233 0.000 1.198 456 E HN 0.516 nan 8.360 nan 0.000 0.407 457 R N -0.262 120.464 120.500 0.377 0.000 2.720 457 R HA 0.211 4.552 4.340 0.001 0.000 0.272 457 R C 1.023 177.388 176.300 0.108 0.000 0.991 457 R CA -0.135 56.074 56.100 0.181 0.000 1.010 457 R CB 1.161 31.432 30.300 -0.049 0.000 1.141 457 R HN 0.674 nan 8.270 nan 0.000 0.494 458 T N -3.159 111.420 114.554 0.042 0.000 3.067 458 T HA -0.084 4.266 4.350 0.001 0.000 0.261 458 T C 1.012 175.724 174.700 0.018 0.000 1.110 458 T CA 1.076 63.191 62.100 0.026 0.000 1.113 458 T CB 0.010 68.877 68.868 -0.000 0.000 0.917 458 T HN 0.683 nan 8.240 nan 0.000 0.499 459 D N 1.582 121.986 120.400 0.007 0.000 2.394 459 D HA 0.054 4.695 4.640 0.001 0.000 0.226 459 D C 0.703 177.019 176.300 0.027 0.000 0.990 459 D CA 0.237 54.238 54.000 0.002 0.000 0.902 459 D CB 0.057 40.842 40.800 -0.025 0.000 1.038 459 D HN 0.616 nan 8.370 nan 0.000 0.499 460 K N 0.101 120.535 120.400 0.056 0.000 2.435 460 K HA 0.734 5.055 4.320 0.001 0.000 0.251 460 K C -0.555 176.158 176.600 0.187 0.000 0.954 460 K CA -1.106 55.248 56.287 0.111 0.000 0.820 460 K CB 2.590 35.169 32.500 0.131 0.000 1.292 460 K HN 0.010 nan 8.250 nan 0.000 0.436 461 A N 0.942 123.850 122.820 0.148 0.000 2.429 461 A HA 0.604 4.924 4.320 0.001 0.000 0.242 461 A C 0.664 178.353 177.584 0.175 0.000 1.088 461 A CA 0.882 53.001 52.037 0.136 0.000 0.784 461 A CB -0.616 18.426 19.000 0.070 0.000 1.038 461 A HN 1.229 nan 8.150 nan 0.000 0.501 462 G N -1.318 107.524 108.800 0.071 0.000 2.479 462 G HA2 0.177 4.138 3.960 0.001 0.000 0.686 462 G HA3 0.177 4.138 3.960 0.001 0.000 0.686 462 G C -0.817 173.928 174.900 -0.258 0.000 1.295 462 G CA -0.425 44.588 45.100 -0.145 0.000 0.922 462 G HN 0.996 nan 8.290 nan 0.000 0.582 463 I N 0.274 120.547 120.570 -0.494 0.000 2.336 463 I HA 0.615 4.785 4.170 0.001 0.000 0.292 463 I C -0.499 175.186 176.117 -0.721 0.000 0.991 463 I CA -0.482 60.581 61.300 -0.395 0.000 1.227 463 I CB 1.070 38.932 38.000 -0.230 0.000 1.366 463 I HN 0.323 nan 8.210 nan 0.000 0.466 464 F N 3.964 123.751 119.950 -0.271 0.000 2.540 464 F HA 0.362 4.889 4.527 0.001 0.000 0.317 464 F C -0.141 175.288 175.800 -0.619 0.000 1.104 464 F CA -0.781 56.959 58.000 -0.435 0.000 0.913 464 F CB 1.488 40.188 39.000 -0.500 0.000 1.170 464 F HN 0.393 nan 8.300 nan 0.000 0.450 465 H N 2.649 121.612 119.070 -0.179 0.000 2.762 465 H HA 0.311 4.868 4.556 0.001 0.000 0.310 465 H C -1.386 173.980 175.328 0.063 0.000 1.004 465 H CA -0.816 55.199 56.048 -0.055 0.000 1.267 465 H CB 0.501 30.267 29.762 0.007 0.000 1.437 465 H HN 0.611 nan 8.280 nan 0.000 0.498 466 Y N 3.313 123.402 120.300 -0.351 0.000 2.379 466 Y HA 0.118 4.669 4.550 0.001 0.000 0.337 466 Y C 0.137 175.432 175.900 -1.008 0.000 1.238 466 Y CA 0.094 57.830 58.100 -0.607 0.000 1.405 466 Y CB 0.744 38.724 38.460 -0.800 0.000 1.310 466 Y HN 0.738 nan 8.280 nan 0.000 0.569 467 D N 4.354 124.209 120.400 -0.909 0.000 2.479 467 D HA 0.089 4.729 4.640 0.001 0.000 0.218 467 D C -0.492 175.577 176.300 -0.385 0.000 1.131 467 D CA -0.324 53.369 54.000 -0.511 0.000 0.916 467 D CB -0.091 40.501 40.800 -0.347 0.000 1.022 467 D HN 0.578 nan 8.370 nan 0.000 0.515 468 W N 2.400 123.588 121.300 -0.187 0.000 2.800 468 W HA 0.013 4.673 4.660 0.000 0.000 0.249 468 W C 0.494 176.643 176.519 -0.617 0.000 1.294 468 W CA -0.049 57.035 57.345 -0.434 0.000 1.402 468 W CB -0.124 28.747 29.460 -0.981 0.000 1.126 468 W HN 0.457 nan 8.180 nan 0.000 0.652 469 Y N -0.735 119.611 120.300 0.077 0.000 2.543 469 Y HA 0.625 5.175 4.550 0.001 0.000 0.249 469 Y C 1.549 177.468 175.900 0.031 0.000 1.081 469 Y CA 1.295 59.423 58.100 0.046 0.000 1.336 469 Y CB -0.518 37.960 38.460 0.030 0.000 1.208 469 Y HN -0.284 nan 8.280 nan 0.000 0.502 470 T N 0.000 114.660 114.554 0.177 0.000 3.816 470 T HA 0.000 4.350 4.350 0.001 0.000 0.228 470 T CA 0.000 nan 62.100 nan 0.000 1.349 470 T CB 0.000 nan 68.868 nan 0.000 0.612 470 T HN 0.000 nan 8.240 nan 0.000 0.658