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 3b97_1_A DATA FIRST_RESID 1 DATA SEQUENCE SILKIHAREI FDSRGNPTVE VDLFTSKGLF RAAVPSGAST GIYEALELRD DATA SEQUENCE NDKTRYMGKG VSKAVEHINK TIAPALVSKK LNVTEQEKID KLMIEMDGTE DATA SEQUENCE NKSKFGANAI LGVSLAVCKA GAVEKGVPLY RHIADLAGNS EVILPVPAFN DATA SEQUENCE VINGGSHAGN KLAMQEFMIL PVGAANFREA MRIGAEVYHN LKNVIKEKYG DATA SEQUENCE KDATNVGDEG GFAPNILENK EGLELLKTAI GKAGYTDKVV IGMDVAASEF DATA SEQUENCE FRSGKYDLDF KSPDDPSRYI SPDQLADLYK SFIKDYPVVS IEDPFDQDDW DATA SEQUENCE GAWQKFTASA GIQVVGDDLT VTNPKRIAKA VNEKSCNCLL LKVNQIGSVT DATA SEQUENCE ESLQACKLAQ ANGWGVMVSH RSGETEDTFI ADLVVGLCTG QIKTGAPCRS DATA SEQUENCE ERLAKYNQLL RIEEELGSKA KFAGRNFRNP LA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.630 174.600 0.049 0.000 1.055 1 S CA 0.000 58.217 58.200 0.028 0.000 1.107 1 S CB 0.000 63.209 63.200 0.015 0.000 0.593 2 I N 3.375 123.975 120.570 0.049 0.000 2.347 2 I HA 0.256 4.425 4.170 -0.000 0.000 0.294 2 I C 1.182 177.350 176.117 0.085 0.000 1.090 2 I CA -0.313 61.032 61.300 0.076 0.000 1.314 2 I CB 0.887 38.923 38.000 0.060 0.000 1.423 2 I HN 0.269 nan 8.210 nan 0.000 0.503 3 L N 5.640 126.933 121.223 0.117 0.000 2.270 3 L HA 0.160 4.500 4.340 -0.000 0.000 0.210 3 L C 0.891 177.810 176.870 0.082 0.000 1.104 3 L CA 0.743 55.636 54.840 0.088 0.000 0.804 3 L CB -0.259 41.852 42.059 0.087 0.000 0.937 3 L HN 0.562 nan 8.230 nan 0.000 0.450 4 K N 0.142 120.641 120.400 0.164 0.000 2.610 4 K HA 0.492 4.812 4.320 -0.000 0.000 0.278 4 K C -1.999 174.787 176.600 0.310 0.000 0.964 4 K CA -0.556 55.831 56.287 0.166 0.000 0.859 4 K CB 2.231 34.742 32.500 0.018 0.000 1.434 4 K HN -0.111 nan 8.250 nan 0.000 0.410 5 I N 2.876 123.586 120.570 0.233 0.000 2.607 5 I HA 0.330 4.499 4.170 -0.000 0.000 0.290 5 I C -1.113 175.155 176.117 0.251 0.000 1.129 5 I CA -0.733 60.702 61.300 0.224 0.000 1.042 5 I CB 2.115 40.183 38.000 0.113 0.000 1.242 5 I HN 0.576 nan 8.210 nan 0.000 0.421 6 H N 5.239 124.392 119.070 0.138 0.000 2.856 6 H HA 0.746 5.302 4.556 -0.000 0.000 0.355 6 H C -1.690 173.667 175.328 0.049 0.000 1.079 6 H CA -0.565 55.538 56.048 0.091 0.000 1.240 6 H CB 2.159 32.000 29.762 0.132 0.000 1.701 6 H HN 0.749 nan 8.280 nan 0.000 0.527 7 A N 4.763 127.327 122.820 -0.426 0.000 2.337 7 A HA 0.740 5.060 4.320 -0.000 0.000 0.331 7 A C -0.524 176.749 177.584 -0.517 0.000 1.137 7 A CA -0.802 51.019 52.037 -0.361 0.000 0.807 7 A CB 1.361 20.244 19.000 -0.195 0.000 1.250 7 A HN 0.881 nan 8.150 nan 0.000 0.468 8 R N 0.545 120.864 120.500 -0.301 0.000 2.764 8 R HA 0.625 4.965 4.340 -0.000 0.000 0.270 8 R C -1.133 175.068 176.300 -0.165 0.000 1.014 8 R CA -0.731 55.236 56.100 -0.221 0.000 0.904 8 R CB 1.258 31.466 30.300 -0.153 0.000 1.236 8 R HN 0.627 nan 8.270 nan 0.000 0.466 9 E N 2.250 122.356 120.200 -0.156 0.000 2.200 9 E HA 0.370 4.720 4.350 -0.000 0.000 0.283 9 E C -0.402 176.044 176.600 -0.256 0.000 1.015 9 E CA -0.721 55.547 56.400 -0.221 0.000 0.819 9 E CB 0.851 30.416 29.700 -0.226 0.000 1.081 9 E HN 0.490 nan 8.360 nan 0.000 0.397 10 I N -0.297 120.089 120.570 -0.307 0.000 3.516 10 I HA 0.599 4.769 4.170 -0.000 0.000 0.297 10 I C -1.057 174.761 176.117 -0.498 0.000 1.139 10 I CA -1.237 59.906 61.300 -0.261 0.000 1.020 10 I CB 1.259 39.216 38.000 -0.072 0.000 1.341 10 I HN 0.260 nan 8.210 nan 0.000 0.490 11 F N 1.322 121.233 119.950 -0.066 0.000 2.469 11 F HA 0.418 4.945 4.527 -0.000 0.000 0.332 11 F C -0.017 175.751 175.800 -0.054 0.000 1.103 11 F CA -0.462 57.494 58.000 -0.073 0.000 0.979 11 F CB 1.307 40.279 39.000 -0.046 0.000 1.137 11 F HN 0.581 nan 8.300 nan 0.000 0.463 12 D N -0.320 120.134 120.400 0.089 0.000 2.451 12 D HA 0.125 4.765 4.640 -0.000 0.000 0.259 12 D C 1.103 177.443 176.300 0.068 0.000 1.201 12 D CA -0.410 53.617 54.000 0.045 0.000 1.028 12 D CB 0.522 41.317 40.800 -0.008 0.000 1.095 12 D HN 0.415 nan 8.370 nan 0.000 0.539 13 S N -0.814 114.904 115.700 0.030 0.000 2.493 13 S HA -0.168 4.302 4.470 -0.000 0.000 0.243 13 S C 1.431 176.043 174.600 0.021 0.000 0.991 13 S CA 0.558 58.772 58.200 0.023 0.000 0.957 13 S CB -0.403 62.800 63.200 0.005 0.000 0.756 13 S HN 0.523 nan 8.310 nan 0.000 0.521 14 R N 0.293 120.807 120.500 0.024 0.000 2.362 14 R HA 0.274 4.614 4.340 -0.000 0.000 0.227 14 R C 1.229 177.565 176.300 0.061 0.000 0.905 14 R CA 0.415 56.532 56.100 0.027 0.000 1.067 14 R CB 0.213 30.519 30.300 0.011 0.000 1.078 14 R HN 0.572 nan 8.270 nan 0.000 0.516 15 G N 1.352 110.213 108.800 0.101 0.000 2.132 15 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.228 15 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.228 15 G C -0.455 174.623 174.900 0.298 0.000 1.000 15 G CA -0.360 44.840 45.100 0.166 0.000 0.693 15 G HN 0.236 nan 8.290 nan 0.000 0.515 16 N N 0.684 119.493 118.700 0.181 0.000 2.370 16 N HA 0.545 5.285 4.740 -0.000 0.000 0.303 16 N C -2.831 172.588 175.510 -0.153 0.000 1.103 16 N CA -1.513 51.563 53.050 0.044 0.000 0.848 16 N CB 1.910 40.397 38.487 -0.000 0.000 1.235 16 N HN -0.032 nan 8.380 nan 0.000 0.496 17 P HA 0.113 nan 4.420 nan 0.000 0.269 17 P C -0.224 176.861 177.300 -0.358 0.000 1.209 17 P CA 0.293 62.993 63.100 -0.666 0.000 0.776 17 P CB 0.717 31.932 31.700 -0.809 0.000 0.876 18 T N 0.957 115.315 114.554 -0.328 0.000 2.792 18 T HA 0.375 4.725 4.350 -0.000 0.000 0.303 18 T C -1.246 173.344 174.700 -0.184 0.000 1.310 18 T CA -0.572 61.410 62.100 -0.197 0.000 1.007 18 T CB 0.713 69.502 68.868 -0.131 0.000 1.335 18 T HN -0.052 nan 8.240 nan 0.000 0.504 19 V N 2.684 122.519 119.914 -0.131 0.000 2.546 19 V HA 0.555 4.675 4.120 -0.000 0.000 0.284 19 V C 0.236 176.268 176.094 -0.103 0.000 1.050 19 V CA -0.245 61.984 62.300 -0.118 0.000 0.981 19 V CB 1.196 32.964 31.823 -0.091 0.000 0.990 19 V HN 0.850 nan 8.190 nan 0.000 0.474 20 E N 3.568 123.703 120.200 -0.108 0.000 2.266 20 E HA 0.703 5.053 4.350 -0.000 0.000 0.268 20 E C -1.960 174.583 176.600 -0.095 0.000 0.879 20 E CA -0.559 55.789 56.400 -0.087 0.000 0.762 20 E CB 2.353 32.009 29.700 -0.073 0.000 1.199 20 E HN 0.427 nan 8.360 nan 0.000 0.422 21 V N 3.389 123.259 119.914 -0.074 0.000 2.588 21 V HA 0.328 4.448 4.120 -0.000 0.000 0.304 21 V C -1.107 174.956 176.094 -0.051 0.000 1.042 21 V CA -0.925 61.335 62.300 -0.067 0.000 0.877 21 V CB 2.042 33.830 31.823 -0.058 0.000 0.996 21 V HN 0.727 nan 8.190 nan 0.000 0.425 22 D N 3.792 124.172 120.400 -0.033 0.000 2.256 22 D HA 0.609 5.249 4.640 -0.000 0.000 0.240 22 D C -0.686 175.557 176.300 -0.095 0.000 1.062 22 D CA 0.004 53.939 54.000 -0.108 0.000 0.832 22 D CB 2.182 42.957 40.800 -0.042 0.000 1.135 22 D HN 0.444 nan 8.370 nan 0.000 0.484 23 L N 2.878 123.983 121.223 -0.198 0.000 2.385 23 L HA 0.574 4.914 4.340 -0.000 0.000 0.273 23 L C -1.541 175.257 176.870 -0.120 0.000 0.990 23 L CA -0.682 54.147 54.840 -0.017 0.000 0.821 23 L CB 0.957 43.058 42.059 0.069 0.000 1.279 23 L HN 0.143 nan 8.230 nan 0.000 0.412 24 F N 2.208 122.246 119.950 0.147 0.000 2.480 24 F HA 0.742 5.269 4.527 -0.000 0.000 0.329 24 F C 0.601 176.499 175.800 0.163 0.000 1.091 24 F CA -0.377 57.707 58.000 0.141 0.000 0.972 24 F CB 2.247 41.282 39.000 0.059 0.000 1.150 24 F HN 0.516 nan 8.300 nan 0.000 0.467 25 T N -2.961 111.823 114.554 0.383 0.000 2.742 25 T HA 0.314 4.664 4.350 -0.000 0.000 0.282 25 T C 0.832 175.665 174.700 0.221 0.000 1.025 25 T CA -0.089 62.170 62.100 0.265 0.000 1.020 25 T CB 1.138 70.149 68.868 0.239 0.000 1.317 25 T HN 0.504 nan 8.240 nan 0.000 0.538 26 S N -0.136 115.653 115.700 0.148 0.000 2.474 26 S HA -0.033 4.437 4.470 -0.000 0.000 0.235 26 S C 1.356 176.025 174.600 0.115 0.000 0.997 26 S CA 0.176 58.440 58.200 0.107 0.000 0.949 26 S CB -0.518 62.724 63.200 0.069 0.000 0.766 26 S HN 0.619 nan 8.310 nan 0.000 0.517 27 K N 1.515 122.019 120.400 0.174 0.000 2.426 27 K HA 0.353 4.673 4.320 -0.000 0.000 0.193 27 K C 1.269 177.931 176.600 0.102 0.000 1.028 27 K CA 0.665 57.058 56.287 0.176 0.000 1.047 27 K CB -0.083 32.582 32.500 0.275 0.000 0.821 27 K HN 0.579 nan 8.250 nan 0.000 0.513 28 G N 1.088 109.928 108.800 0.066 0.000 2.280 28 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.277 28 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.277 28 G C -1.944 172.720 174.900 -0.393 0.000 1.288 28 G CA -0.734 44.271 45.100 -0.157 0.000 1.075 28 G HN 0.088 nan 8.290 nan 0.000 0.480 29 L N 0.141 120.988 121.223 -0.628 0.000 2.289 29 L HA 0.896 5.235 4.340 -0.000 0.000 0.285 29 L C -1.167 175.065 176.870 -1.063 0.000 1.049 29 L CA -1.019 53.338 54.840 -0.805 0.000 0.804 29 L CB 0.670 42.406 42.059 -0.537 0.000 1.195 29 L HN 0.457 nan 8.230 nan 0.000 0.428 30 F N 4.800 124.557 119.950 -0.323 0.000 2.539 30 F HA 0.586 5.113 4.527 -0.000 0.000 0.328 30 F C 0.034 175.722 175.800 -0.187 0.000 1.148 30 F CA -0.555 57.336 58.000 -0.181 0.000 0.940 30 F CB 1.441 40.369 39.000 -0.119 0.000 1.194 30 F HN 0.468 nan 8.300 nan 0.000 0.438 31 R N 2.310 122.810 120.500 0.000 0.000 2.637 31 R HA 0.951 5.291 4.340 -0.000 0.000 0.291 31 R C -1.549 174.762 176.300 0.018 0.000 0.963 31 R CA -0.648 55.437 56.100 -0.025 0.000 0.901 31 R CB 1.775 32.041 30.300 -0.057 0.000 1.160 31 R HN 0.814 nan 8.270 nan 0.000 0.457 32 A N 2.116 124.932 122.820 -0.008 0.000 2.572 32 A HA 0.815 5.135 4.320 -0.000 0.000 0.295 32 A C -1.704 175.857 177.584 -0.038 0.000 1.072 32 A CA -0.480 51.549 52.037 -0.013 0.000 0.691 32 A CB 1.896 20.868 19.000 -0.047 0.000 1.291 32 A HN 0.854 nan 8.150 nan 0.000 0.404 33 A N 0.232 123.031 122.820 -0.035 0.000 2.430 33 A HA 0.819 5.139 4.320 -0.000 0.000 0.300 33 A C -1.062 176.489 177.584 -0.055 0.000 1.124 33 A CA -0.565 51.446 52.037 -0.045 0.000 0.766 33 A CB 1.418 20.402 19.000 -0.028 0.000 1.328 33 A HN 1.426 nan 8.150 nan 0.000 0.424 34 V N 2.790 122.668 119.914 -0.060 0.000 2.459 34 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 34 V C -2.046 174.020 176.094 -0.047 0.000 1.029 34 V CA -1.328 60.936 62.300 -0.060 0.000 0.874 34 V CB 1.577 33.361 31.823 -0.065 0.000 0.985 34 V HN 0.882 nan 8.190 nan 0.000 0.438 35 P HA 0.356 nan 4.420 nan 0.000 0.279 35 P C -0.815 176.463 177.300 -0.038 0.000 1.276 35 P CA -0.477 62.605 63.100 -0.031 0.000 0.801 35 P CB 1.635 33.327 31.700 -0.014 0.000 1.127 36 S N -0.808 114.866 115.700 -0.044 0.000 2.614 36 S HA 0.607 5.077 4.470 -0.000 0.000 0.275 36 S C -0.209 174.364 174.600 -0.046 0.000 1.161 36 S CA -0.625 57.551 58.200 -0.040 0.000 0.969 36 S CB 0.427 63.602 63.200 -0.041 0.000 1.059 36 S HN 0.642 nan 8.310 nan 0.000 0.482 37 G N 1.878 110.662 108.800 -0.027 0.000 2.528 37 G HA2 0.612 4.571 3.960 -0.000 0.000 0.289 37 G HA3 0.612 4.571 3.960 -0.000 0.000 0.289 37 G C 0.769 175.673 174.900 0.007 0.000 1.192 37 G CA -0.063 45.027 45.100 -0.017 0.000 0.921 37 G HN 1.018 nan 8.290 nan 0.000 0.512 38 A N -0.177 122.672 122.820 0.048 0.000 1.938 38 A HA 0.326 4.646 4.320 -0.000 0.000 0.207 38 A C 1.695 179.346 177.584 0.111 0.000 1.292 38 A CA 1.143 53.234 52.037 0.089 0.000 0.700 38 A CB -0.236 18.848 19.000 0.140 0.000 0.947 38 A HN 1.190 nan 8.150 nan 0.000 0.476 39 S N 1.988 117.777 115.700 0.148 0.000 3.729 39 S HA 0.394 4.864 4.470 -0.000 0.000 0.235 39 S C 0.057 174.682 174.600 0.041 0.000 1.367 39 S CA 0.049 58.295 58.200 0.077 0.000 0.907 39 S CB -0.759 62.469 63.200 0.045 0.000 1.471 39 S HN 0.558 nan 8.310 nan 0.000 0.476 40 T N 0.293 114.862 114.554 0.025 0.000 2.806 40 T HA 0.636 4.986 4.350 -0.000 0.000 0.290 40 T C 0.721 175.411 174.700 -0.017 0.000 0.966 40 T CA -0.586 61.519 62.100 0.008 0.000 1.060 40 T CB 1.107 69.979 68.868 0.005 0.000 0.927 40 T HN 0.568 nan 8.240 nan 0.000 0.485 41 G N 1.881 110.672 108.800 -0.015 0.000 2.527 41 G HA2 0.403 4.362 3.960 -0.000 0.000 0.248 41 G HA3 0.403 4.362 3.960 -0.000 0.000 0.248 41 G C 1.169 176.013 174.900 -0.094 0.000 1.231 41 G CA -0.920 44.156 45.100 -0.039 0.000 0.838 41 G HN 1.006 nan 8.290 nan 0.000 0.570 42 I N -1.390 119.051 120.570 -0.215 0.000 2.567 42 I HA -0.119 4.051 4.170 -0.000 0.000 0.257 42 I C 1.293 177.143 176.117 -0.445 0.000 1.184 42 I CA 1.058 62.142 61.300 -0.360 0.000 1.451 42 I CB -0.288 37.385 38.000 -0.545 0.000 1.089 42 I HN 0.484 nan 8.210 nan 0.000 0.441 43 Y N 1.699 121.994 120.300 -0.007 0.000 2.466 43 Y HA 0.287 4.837 4.550 -0.000 0.000 0.272 43 Y C 0.981 176.879 175.900 -0.003 0.000 1.169 43 Y CA -0.473 57.627 58.100 -0.001 0.000 1.285 43 Y CB -0.178 38.285 38.460 0.005 0.000 1.078 43 Y HN 0.192 nan 8.280 nan 0.000 0.523 44 E N 1.119 121.363 120.200 0.073 0.000 2.418 44 E HA 0.263 4.613 4.350 -0.000 0.000 0.261 44 E C 0.255 176.879 176.600 0.039 0.000 1.070 44 E CA -0.264 56.168 56.400 0.053 0.000 0.931 44 E CB 0.743 30.458 29.700 0.024 0.000 0.954 44 E HN 0.285 nan 8.360 nan 0.000 0.439 45 A N 2.336 125.175 122.820 0.032 0.000 2.448 45 A HA 0.038 4.358 4.320 -0.000 0.000 0.239 45 A C -0.121 177.469 177.584 0.010 0.000 1.080 45 A CA -0.340 51.708 52.037 0.019 0.000 0.779 45 A CB 0.167 19.174 19.000 0.011 0.000 1.026 45 A HN 0.518 nan 8.150 nan 0.000 0.499 46 L N 0.891 122.117 121.223 0.005 0.000 2.477 46 L HA 0.154 4.494 4.340 -0.000 0.000 0.272 46 L C 0.681 177.556 176.870 0.007 0.000 1.157 46 L CA 0.493 55.335 54.840 0.004 0.000 0.889 46 L CB 0.252 42.311 42.059 0.001 0.000 1.158 46 L HN 0.751 nan 8.230 nan 0.000 0.473 47 E N 5.322 125.525 120.200 0.005 0.000 2.044 47 E HA 0.188 4.538 4.350 -0.000 0.000 0.282 47 E C -0.998 175.609 176.600 0.012 0.000 1.031 47 E CA -0.866 55.536 56.400 0.004 0.000 0.824 47 E CB 0.782 30.480 29.700 -0.003 0.000 1.076 47 E HN 0.625 nan 8.360 nan 0.000 0.395 48 L N 5.734 126.972 121.223 0.025 0.000 2.369 48 L HA 0.229 4.569 4.340 -0.000 0.000 0.279 48 L C -0.604 176.283 176.870 0.029 0.000 1.108 48 L CA 0.192 55.057 54.840 0.042 0.000 0.852 48 L CB 0.202 42.312 42.059 0.085 0.000 1.169 48 L HN 0.486 nan 8.230 nan 0.000 0.452 49 R N 3.209 123.724 120.500 0.025 0.000 2.732 49 R HA 0.277 4.617 4.340 -0.000 0.000 0.278 49 R C 0.336 176.653 176.300 0.028 0.000 0.976 49 R CA -0.722 55.388 56.100 0.016 0.000 0.963 49 R CB 1.286 31.595 30.300 0.015 0.000 1.150 49 R HN 0.594 nan 8.270 nan 0.000 0.478 50 D N 1.174 121.590 120.400 0.027 0.000 2.144 50 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 50 D C -0.045 176.277 176.300 0.037 0.000 0.978 50 D CA 0.773 54.793 54.000 0.033 0.000 0.833 50 D CB 0.134 40.955 40.800 0.036 0.000 0.961 50 D HN 0.455 nan 8.370 nan 0.000 0.470 51 N N 1.236 119.960 118.700 0.041 0.000 2.754 51 N HA -0.173 4.567 4.740 -0.000 0.000 0.248 51 N C -0.842 174.690 175.510 0.038 0.000 1.093 51 N CA 0.695 53.768 53.050 0.039 0.000 0.699 51 N CB -1.309 37.198 38.487 0.033 0.000 1.016 51 N HN 0.296 nan 8.380 nan 0.000 0.552 52 D N 0.868 121.296 120.400 0.045 0.000 2.456 52 D HA 0.195 4.835 4.640 -0.000 0.000 0.219 52 D C 1.070 177.393 176.300 0.038 0.000 1.126 52 D CA -0.325 53.697 54.000 0.037 0.000 0.890 52 D CB 0.503 41.325 40.800 0.038 0.000 1.025 52 D HN 0.106 nan 8.370 nan 0.000 0.511 53 K N 1.013 121.431 120.400 0.030 0.000 2.362 53 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 53 K C 1.683 178.293 176.600 0.017 0.000 1.045 53 K CA 1.598 57.902 56.287 0.028 0.000 0.936 53 K CB 0.000 32.514 32.500 0.023 0.000 0.747 53 K HN 0.506 nan 8.250 nan 0.000 0.467 54 T N -1.899 112.658 114.554 0.006 0.000 3.067 54 T HA -0.014 4.335 4.350 -0.000 0.000 0.257 54 T C 0.860 175.532 174.700 -0.047 0.000 1.105 54 T CA -0.023 62.068 62.100 -0.015 0.000 1.104 54 T CB 0.143 69.001 68.868 -0.017 0.000 0.925 54 T HN 0.014 nan 8.240 nan 0.000 0.498 55 R N -0.001 120.479 120.500 -0.034 0.000 2.310 55 R HA 0.384 4.724 4.340 -0.000 0.000 0.324 55 R C -0.888 175.422 176.300 0.016 0.000 0.955 55 R CA -0.861 55.175 56.100 -0.106 0.000 0.830 55 R CB 0.128 30.405 30.300 -0.038 0.000 1.154 55 R HN 0.392 nan 8.270 nan 0.000 0.458 56 Y N 4.267 124.595 120.300 0.046 0.000 3.491 56 Y HA -0.316 4.234 4.550 -0.000 0.000 0.215 56 Y C 0.263 176.188 175.900 0.041 0.000 1.219 56 Y CA 0.416 58.550 58.100 0.056 0.000 1.485 56 Y CB -0.821 37.671 38.460 0.052 0.000 1.450 56 Y HN 0.702 nan 8.280 nan 0.000 0.603 57 M N -0.988 118.686 119.600 0.122 0.000 2.253 57 M HA -0.288 4.192 4.480 -0.000 0.000 0.199 57 M C 1.321 177.676 176.300 0.092 0.000 0.342 57 M CA 1.791 57.145 55.300 0.089 0.000 0.417 57 M CB -1.958 30.693 32.600 0.086 0.000 1.338 57 M HN 1.312 nan 8.290 nan 0.000 0.920 58 G N -0.544 108.315 108.800 0.098 0.000 2.184 58 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 58 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 58 G C 0.812 175.762 174.900 0.083 0.000 0.975 58 G CA 0.746 45.895 45.100 0.081 0.000 0.642 58 G HN 0.562 nan 8.290 nan 0.000 0.536 59 K N 0.766 121.234 120.400 0.113 0.000 2.417 59 K HA 0.326 4.646 4.320 -0.000 0.000 0.196 59 K C 1.673 178.271 176.600 -0.004 0.000 1.023 59 K CA 0.152 56.471 56.287 0.054 0.000 1.122 59 K CB 0.468 32.995 32.500 0.045 0.000 0.850 59 K HN 0.419 nan 8.250 nan 0.000 0.521 60 G N 0.918 109.761 108.800 0.072 0.000 2.614 60 G HA2 0.143 4.103 3.960 -0.000 0.000 0.239 60 G HA3 0.143 4.103 3.960 -0.000 0.000 0.239 60 G C 0.525 175.394 174.900 -0.052 0.000 1.240 60 G CA -0.340 44.762 45.100 0.003 0.000 0.842 60 G HN 0.123 nan 8.290 nan 0.000 0.584 61 V N -1.053 118.798 119.914 -0.104 0.000 2.909 61 V HA 0.246 4.365 4.120 -0.000 0.000 0.362 61 V C 1.578 177.627 176.094 -0.075 0.000 1.356 61 V CA 0.467 62.718 62.300 -0.082 0.000 1.195 61 V CB -0.186 31.571 31.823 -0.110 0.000 1.256 61 V HN 0.816 nan 8.190 nan 0.000 0.567 62 S N 0.353 116.020 115.700 -0.055 0.000 2.399 62 S HA -0.147 4.322 4.470 -0.000 0.000 0.231 62 S C 1.743 176.293 174.600 -0.084 0.000 1.022 62 S CA 1.378 59.543 58.200 -0.059 0.000 0.983 62 S CB -0.401 62.784 63.200 -0.024 0.000 0.803 62 S HN 0.689 nan 8.310 nan 0.000 0.480 63 K N 1.572 121.927 120.400 -0.075 0.000 2.057 63 K HA 0.100 4.420 4.320 -0.000 0.000 0.206 63 K C 2.606 179.105 176.600 -0.169 0.000 1.050 63 K CA 1.174 57.376 56.287 -0.143 0.000 0.935 63 K CB -0.537 31.933 32.500 -0.051 0.000 0.715 63 K HN 0.484 nan 8.250 nan 0.000 0.439 64 A N 1.083 123.904 122.820 0.000 0.000 1.902 64 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 64 A C 2.370 179.946 177.584 -0.014 0.000 1.181 64 A CA 1.326 53.417 52.037 0.090 0.000 0.623 64 A CB -0.682 18.349 19.000 0.053 0.000 0.818 64 A HN 0.066 nan 8.150 nan 0.000 0.443 65 V N 0.133 120.003 119.914 -0.075 0.000 2.392 65 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 65 V C 2.529 178.553 176.094 -0.117 0.000 1.059 65 V CA 2.390 64.626 62.300 -0.106 0.000 1.051 65 V CB -0.667 31.082 31.823 -0.123 0.000 0.658 65 V HN 0.789 nan 8.190 nan 0.000 0.455 66 E N -0.945 119.166 120.200 -0.149 0.000 2.106 66 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 66 E C 2.232 178.721 176.600 -0.184 0.000 0.984 66 E CA 1.007 57.306 56.400 -0.169 0.000 0.806 66 E CB -0.084 29.490 29.700 -0.210 0.000 0.750 66 E HN 0.682 nan 8.360 nan 0.000 0.458 67 H N 0.242 119.240 119.070 -0.119 0.000 2.422 67 H HA -0.122 4.434 4.556 -0.000 0.000 0.298 67 H C 2.211 177.328 175.328 -0.351 0.000 1.098 67 H CA 1.367 57.270 56.048 -0.241 0.000 1.315 67 H CB -0.073 29.541 29.762 -0.246 0.000 1.382 67 H HN 0.300 nan 8.280 nan 0.000 0.523 68 I N 0.634 121.125 120.570 -0.131 0.000 2.162 68 I HA -0.228 3.942 4.170 -0.000 0.000 0.238 68 I C 2.170 178.230 176.117 -0.097 0.000 1.076 68 I CA 0.783 61.996 61.300 -0.145 0.000 1.353 68 I CB -0.125 37.813 38.000 -0.104 0.000 1.063 68 I HN 0.122 nan 8.210 nan 0.000 0.408 69 N N 1.159 119.819 118.700 -0.067 0.000 2.120 69 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 69 N C 1.679 177.182 175.510 -0.013 0.000 1.024 69 N CA 1.381 54.427 53.050 -0.007 0.000 0.852 69 N CB -0.185 38.317 38.487 0.024 0.000 1.003 69 N HN 0.381 nan 8.380 nan 0.000 0.424 70 K N -0.701 119.675 120.400 -0.040 0.000 2.314 70 K HA 0.140 4.459 4.320 -0.000 0.000 0.198 70 K C 1.061 177.643 176.600 -0.030 0.000 1.045 70 K CA 0.778 57.049 56.287 -0.027 0.000 0.988 70 K CB 0.514 32.998 32.500 -0.027 0.000 0.783 70 K HN 0.131 nan 8.250 nan 0.000 0.484 71 T N 0.248 114.755 114.554 -0.078 0.000 3.221 71 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 71 T C 1.833 176.457 174.700 -0.127 0.000 0.988 71 T CA -0.110 61.936 62.100 -0.091 0.000 1.163 71 T CB 0.076 68.869 68.868 -0.125 0.000 1.098 71 T HN -0.058 nan 8.240 nan 0.000 0.422 72 I N 2.135 122.555 120.570 -0.250 0.000 2.202 72 I HA -0.113 4.057 4.170 -0.000 0.000 0.242 72 I C 2.978 179.056 176.117 -0.065 0.000 1.091 72 I CA 1.257 62.451 61.300 -0.176 0.000 1.368 72 I CB -0.475 37.379 38.000 -0.243 0.000 1.058 72 I HN 0.232 nan 8.210 nan 0.000 0.410 73 A N 1.900 124.689 122.820 -0.050 0.000 1.851 73 A HA -0.136 4.183 4.320 -0.000 0.000 0.216 73 A C 0.230 177.819 177.584 0.009 0.000 1.195 73 A CA 1.990 54.027 52.037 -0.001 0.000 0.622 73 A CB -2.155 16.858 19.000 0.023 0.000 0.831 73 A HN 0.287 nan 8.150 nan 0.000 0.444 74 P HA -0.208 nan 4.420 nan 0.000 0.216 74 P C 1.594 178.902 177.300 0.014 0.000 1.153 74 P CA 2.204 65.310 63.100 0.010 0.000 0.858 74 P CB -0.219 31.486 31.700 0.007 0.000 0.789 75 A N 0.171 122.998 122.820 0.013 0.000 1.877 75 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 75 A C 2.503 180.101 177.584 0.023 0.000 1.186 75 A CA 1.390 53.441 52.037 0.023 0.000 0.620 75 A CB -1.553 17.468 19.000 0.035 0.000 0.822 75 A HN 0.125 nan 8.150 nan 0.000 0.443 76 L N -0.522 120.714 121.223 0.020 0.000 2.093 76 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 76 L C 2.474 179.360 176.870 0.026 0.000 1.085 76 L CA 0.842 55.696 54.840 0.023 0.000 0.755 76 L CB -0.462 41.610 42.059 0.022 0.000 0.904 76 L HN 0.248 nan 8.230 nan 0.000 0.435 77 V N -1.036 118.895 119.914 0.028 0.000 2.427 77 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 77 V C 2.542 178.649 176.094 0.022 0.000 1.051 77 V CA 1.790 64.107 62.300 0.030 0.000 1.048 77 V CB -0.120 31.721 31.823 0.030 0.000 0.666 77 V HN 0.365 nan 8.190 nan 0.000 0.456 78 S N -0.170 115.542 115.700 0.019 0.000 2.356 78 S HA -0.164 4.306 4.470 -0.000 0.000 0.223 78 S C 1.942 176.552 174.600 0.016 0.000 1.032 78 S CA 1.099 59.309 58.200 0.016 0.000 1.005 78 S CB -0.279 62.931 63.200 0.016 0.000 0.867 78 S HN 0.475 nan 8.310 nan 0.000 0.449 79 K N 1.310 121.720 120.400 0.018 0.000 2.442 79 K HA 0.021 4.340 4.320 -0.000 0.000 0.198 79 K C 0.215 176.824 176.600 0.015 0.000 1.044 79 K CA 0.400 56.696 56.287 0.016 0.000 0.948 79 K CB -0.324 32.187 32.500 0.018 0.000 0.762 79 K HN 0.398 nan 8.250 nan 0.000 0.472 80 K N 0.789 121.199 120.400 0.017 0.000 3.156 80 K HA -0.180 4.140 4.320 -0.000 0.000 0.266 80 K C -0.387 176.222 176.600 0.014 0.000 0.966 80 K CA 0.189 56.486 56.287 0.016 0.000 0.719 80 K CB -1.712 30.796 32.500 0.013 0.000 1.333 80 K HN 0.170 nan 8.250 nan 0.000 0.468 81 L N 0.508 121.740 121.223 0.014 0.000 2.395 81 L HA 0.145 4.485 4.340 -0.000 0.000 0.269 81 L C 0.780 177.655 176.870 0.008 0.000 1.133 81 L CA -0.622 54.224 54.840 0.011 0.000 0.812 81 L CB 0.688 42.754 42.059 0.011 0.000 1.125 81 L HN 0.183 nan 8.230 nan 0.000 0.452 82 N N 0.077 118.779 118.700 0.003 0.000 2.514 82 N HA 0.116 4.856 4.740 -0.000 0.000 0.277 82 N C 0.866 176.369 175.510 -0.012 0.000 1.126 82 N CA -0.455 52.592 53.050 -0.004 0.000 0.978 82 N CB 1.542 40.026 38.487 -0.006 0.000 1.106 82 N HN 0.406 nan 8.380 nan 0.000 0.461 83 V N 0.549 120.443 119.914 -0.032 0.000 2.688 83 V HA -0.193 3.927 4.120 -0.000 0.000 0.256 83 V C 1.790 177.863 176.094 -0.036 0.000 1.084 83 V CA 2.076 64.343 62.300 -0.055 0.000 1.103 83 V CB -1.779 29.966 31.823 -0.130 0.000 0.688 83 V HN 0.865 nan 8.190 nan 0.000 0.480 84 T N -1.694 112.843 114.554 -0.028 0.000 3.118 84 T HA 0.030 4.380 4.350 -0.000 0.000 0.260 84 T C 0.851 175.590 174.700 0.065 0.000 1.139 84 T CA 0.706 62.825 62.100 0.031 0.000 1.085 84 T CB -0.592 68.282 68.868 0.010 0.000 0.934 84 T HN 0.697 nan 8.240 nan 0.000 0.518 85 E N 1.256 121.474 120.200 0.029 0.000 2.201 85 E HA 0.184 4.534 4.350 -0.000 0.000 0.272 85 E C 1.013 177.624 176.600 0.019 0.000 1.228 85 E CA -0.408 56.005 56.400 0.022 0.000 1.305 85 E CB 0.585 30.291 29.700 0.011 0.000 1.381 85 E HN 0.321 nan 8.360 nan 0.000 0.475 86 Q N 1.628 121.445 119.800 0.028 0.000 2.045 86 Q HA -0.279 4.061 4.340 -0.000 0.000 0.206 86 Q C 1.823 177.824 176.000 0.002 0.000 0.991 86 Q CA 1.957 57.770 55.803 0.016 0.000 0.851 86 Q CB 0.089 28.831 28.738 0.006 0.000 0.911 86 Q HN 0.507 nan 8.270 nan 0.000 0.418 87 E N -0.471 119.726 120.200 -0.004 0.000 2.077 87 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 87 E C 1.812 178.410 176.600 -0.004 0.000 0.989 87 E CA 1.238 57.633 56.400 -0.008 0.000 0.800 87 E CB 0.016 29.709 29.700 -0.012 0.000 0.746 87 E HN 0.284 nan 8.360 nan 0.000 0.452 88 K N 0.098 120.498 120.400 -0.000 0.000 2.057 88 K HA -0.125 4.194 4.320 -0.000 0.000 0.207 88 K C 2.234 178.838 176.600 0.006 0.000 1.049 88 K CA 1.295 57.584 56.287 0.002 0.000 0.931 88 K CB -0.121 32.381 32.500 0.004 0.000 0.714 88 K HN 0.236 nan 8.250 nan 0.000 0.440 89 I N 1.381 121.955 120.570 0.007 0.000 2.202 89 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 89 I C 1.796 177.921 176.117 0.012 0.000 1.091 89 I CA 1.188 62.494 61.300 0.010 0.000 1.368 89 I CB -0.263 37.741 38.000 0.008 0.000 1.058 89 I HN 0.110 nan 8.210 nan 0.000 0.410 90 D N 1.068 121.472 120.400 0.005 0.000 2.117 90 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 90 D C 2.185 178.490 176.300 0.008 0.000 0.987 90 D CA 1.202 55.204 54.000 0.004 0.000 0.829 90 D CB -0.138 40.659 40.800 -0.006 0.000 0.961 90 D HN 0.302 nan 8.370 nan 0.000 0.460 91 K N 0.361 120.763 120.400 0.003 0.000 2.097 91 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 91 K C 2.264 178.869 176.600 0.008 0.000 1.050 91 K CA 0.240 56.527 56.287 0.000 0.000 0.938 91 K CB -0.135 32.362 32.500 -0.005 0.000 0.718 91 K HN 0.145 nan 8.250 nan 0.000 0.442 92 L N 0.910 122.143 121.223 0.017 0.000 2.017 92 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 92 L C 2.378 179.280 176.870 0.053 0.000 1.073 92 L CA 1.381 56.239 54.840 0.029 0.000 0.745 92 L CB -0.098 41.979 42.059 0.031 0.000 0.894 92 L HN 0.277 nan 8.230 nan 0.000 0.432 93 M N -0.755 118.884 119.600 0.065 0.000 2.159 93 M HA -0.237 4.243 4.480 -0.000 0.000 0.263 93 M C 2.168 178.524 176.300 0.093 0.000 1.063 93 M CA 1.682 57.056 55.300 0.124 0.000 1.110 93 M CB -0.304 32.361 32.600 0.109 0.000 1.374 93 M HN 0.297 nan 8.290 nan 0.000 0.411 94 I N -0.113 120.476 120.570 0.031 0.000 2.315 94 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 94 I C 2.095 178.182 176.117 -0.049 0.000 1.117 94 I CA 1.324 62.615 61.300 -0.015 0.000 1.404 94 I CB -0.315 37.675 38.000 -0.017 0.000 1.071 94 I HN 0.331 nan 8.210 nan 0.000 0.419 95 E N 0.522 120.706 120.200 -0.026 0.000 2.072 95 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 95 E C 2.327 178.891 176.600 -0.060 0.000 0.985 95 E CA 1.169 57.546 56.400 -0.039 0.000 0.801 95 E CB -0.037 29.654 29.700 -0.015 0.000 0.750 95 E HN 0.421 nan 8.360 nan 0.000 0.452 96 M N 0.828 120.417 119.600 -0.019 0.000 2.117 96 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 96 M C 2.205 178.306 176.300 -0.332 0.000 1.065 96 M CA 1.287 56.578 55.300 -0.014 0.000 1.114 96 M CB -0.222 32.526 32.600 0.246 0.000 1.361 96 M HN 0.135 nan 8.290 nan 0.000 0.408 97 D N -0.333 119.754 120.400 -0.521 0.000 2.117 97 D HA -0.130 4.510 4.640 -0.000 0.000 0.198 97 D C 1.499 177.529 176.300 -0.451 0.000 0.982 97 D CA 1.737 55.210 54.000 -0.879 0.000 0.828 97 D CB 0.073 40.519 40.800 -0.589 0.000 0.967 97 D HN 0.489 nan 8.370 nan 0.000 0.464 98 G N 0.686 109.332 108.800 -0.258 0.000 2.175 98 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.265 98 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.265 98 G C 0.569 175.386 174.900 -0.138 0.000 0.979 98 G CA 1.337 46.337 45.100 -0.166 0.000 0.663 98 G HN 0.719 nan 8.290 nan 0.000 0.533 99 T N -3.154 111.309 114.554 -0.151 0.000 2.940 99 T HA 0.699 5.049 4.350 -0.000 0.000 0.288 99 T C 0.919 175.573 174.700 -0.077 0.000 1.033 99 T CA 0.402 62.438 62.100 -0.107 0.000 1.033 99 T CB 2.373 71.172 68.868 -0.114 0.000 1.079 99 T HN 0.089 nan 8.240 nan 0.000 0.496 100 E N 1.596 121.765 120.200 -0.052 0.000 2.051 100 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 100 E C 1.122 177.706 176.600 -0.026 0.000 0.991 100 E CA 1.841 58.221 56.400 -0.034 0.000 0.799 100 E CB -0.400 29.288 29.700 -0.019 0.000 0.748 100 E HN 0.803 nan 8.360 nan 0.000 0.449 101 N N -0.161 118.525 118.700 -0.024 0.000 2.279 101 N HA 0.167 4.907 4.740 -0.000 0.000 0.226 101 N C -0.877 174.617 175.510 -0.026 0.000 1.126 101 N CA 0.006 53.048 53.050 -0.013 0.000 0.846 101 N CB 0.394 38.884 38.487 0.005 0.000 1.050 101 N HN 0.033 nan 8.380 nan 0.000 0.502 102 K N -0.418 119.950 120.400 -0.053 0.000 3.071 102 K HA -0.176 4.144 4.320 -0.000 0.000 0.265 102 K C 0.391 176.952 176.600 -0.065 0.000 1.060 102 K CA 0.686 56.932 56.287 -0.068 0.000 0.767 102 K CB -1.992 30.492 32.500 -0.026 0.000 1.241 102 K HN 0.405 nan 8.250 nan 0.000 0.486 103 S N -0.712 114.942 115.700 -0.077 0.000 2.562 103 S HA -0.073 4.397 4.470 -0.000 0.000 0.221 103 S C 1.598 176.145 174.600 -0.089 0.000 0.975 103 S CA 0.777 58.941 58.200 -0.059 0.000 0.918 103 S CB 0.324 63.499 63.200 -0.041 0.000 0.772 103 S HN 0.496 nan 8.310 nan 0.000 0.531 104 K N 1.126 121.416 120.400 -0.185 0.000 2.063 104 K HA 0.203 4.523 4.320 -0.000 0.000 0.204 104 K C 1.504 177.931 176.600 -0.287 0.000 1.039 104 K CA 0.876 57.010 56.287 -0.255 0.000 0.957 104 K CB -0.235 32.005 32.500 -0.433 0.000 0.764 104 K HN 0.434 nan 8.250 nan 0.000 0.447 105 F N 0.485 120.215 119.950 -0.368 0.000 2.387 105 F HA 0.211 4.737 4.527 -0.000 0.000 0.294 105 F C 0.865 176.557 175.800 -0.181 0.000 1.093 105 F CA 0.010 57.726 58.000 -0.473 0.000 1.420 105 F CB 0.645 39.508 39.000 -0.229 0.000 1.086 105 F HN 0.330 nan 8.300 nan 0.000 0.531 106 G N 0.325 109.174 108.800 0.081 0.000 3.067 106 G HA2 0.029 3.989 3.960 -0.000 0.000 0.686 106 G HA3 0.029 3.989 3.960 -0.000 0.000 0.686 106 G C 0.307 175.244 174.900 0.061 0.000 1.119 106 G CA -0.606 44.534 45.100 0.066 0.000 0.790 106 G HN 0.321 nan 8.290 nan 0.000 0.605 107 A N 2.134 124.971 122.820 0.029 0.000 1.972 107 A HA -0.085 4.234 4.320 -0.000 0.000 0.219 107 A C 2.339 179.928 177.584 0.009 0.000 1.169 107 A CA 2.286 54.334 52.037 0.018 0.000 0.635 107 A CB -0.423 18.580 19.000 0.005 0.000 0.810 107 A HN 1.566 nan 8.150 nan 0.000 0.446 108 N N 1.081 119.785 118.700 0.007 0.000 2.244 108 N HA -0.039 4.701 4.740 -0.000 0.000 0.183 108 N C 1.581 177.083 175.510 -0.013 0.000 1.016 108 N CA 1.694 54.736 53.050 -0.013 0.000 0.866 108 N CB -0.833 37.642 38.487 -0.019 0.000 0.980 108 N HN 0.389 nan 8.380 nan 0.000 0.430 109 A N 1.486 124.317 122.820 0.017 0.000 1.873 109 A HA 0.091 4.411 4.320 -0.000 0.000 0.215 109 A C 2.397 179.979 177.584 -0.003 0.000 1.186 109 A CA 0.904 52.946 52.037 0.009 0.000 0.616 109 A CB -0.689 18.342 19.000 0.052 0.000 0.823 109 A HN 0.244 nan 8.150 nan 0.000 0.442 110 I N -0.730 119.861 120.570 0.034 0.000 2.315 110 I HA -0.190 3.980 4.170 -0.000 0.000 0.248 110 I C 2.401 178.508 176.117 -0.016 0.000 1.117 110 I CA 0.967 62.286 61.300 0.031 0.000 1.404 110 I CB -0.187 37.857 38.000 0.074 0.000 1.071 110 I HN 0.381 nan 8.210 nan 0.000 0.419 111 L N 1.110 122.313 121.223 -0.033 0.000 2.056 111 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 111 L C 2.345 179.152 176.870 -0.105 0.000 1.078 111 L CA 2.059 56.854 54.840 -0.075 0.000 0.749 111 L CB -1.168 40.846 42.059 -0.075 0.000 0.901 111 L HN 0.162 nan 8.230 nan 0.000 0.433 112 G N -0.857 107.893 108.800 -0.083 0.000 2.446 112 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 112 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 112 G C 1.506 176.356 174.900 -0.084 0.000 1.168 112 G CA 1.235 46.281 45.100 -0.090 0.000 0.771 112 G HN 0.336 nan 8.290 nan 0.000 0.551 113 V N 0.597 120.473 119.914 -0.064 0.000 2.358 113 V HA -0.151 3.968 4.120 -0.000 0.000 0.246 113 V C 3.002 179.061 176.094 -0.058 0.000 1.047 113 V CA 2.117 64.387 62.300 -0.049 0.000 1.035 113 V CB -0.345 31.457 31.823 -0.035 0.000 0.658 113 V HN 0.484 nan 8.190 nan 0.000 0.452 114 S N -0.321 115.337 115.700 -0.070 0.000 2.383 114 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 114 S C 1.909 176.429 174.600 -0.134 0.000 1.030 114 S CA 1.770 59.920 58.200 -0.082 0.000 1.002 114 S CB -0.302 62.848 63.200 -0.084 0.000 0.829 114 S HN 0.516 nan 8.310 nan 0.000 0.467 115 L N 0.730 121.825 121.223 -0.213 0.000 2.072 115 L HA 0.028 4.368 4.340 -0.000 0.000 0.205 115 L C 2.970 179.757 176.870 -0.138 0.000 1.079 115 L CA 1.105 55.737 54.840 -0.346 0.000 0.752 115 L CB -0.713 41.071 42.059 -0.458 0.000 0.906 115 L HN 0.387 nan 8.230 nan 0.000 0.436 116 A N -0.231 122.542 122.820 -0.078 0.000 1.902 116 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 116 A C 2.352 179.918 177.584 -0.030 0.000 1.181 116 A CA 1.649 53.680 52.037 -0.010 0.000 0.623 116 A CB -0.802 18.196 19.000 -0.004 0.000 0.818 116 A HN 0.180 nan 8.150 nan 0.000 0.443 117 V N -1.113 118.774 119.914 -0.045 0.000 2.295 117 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 117 V C 2.675 178.737 176.094 -0.052 0.000 1.049 117 V CA 1.989 64.255 62.300 -0.057 0.000 1.024 117 V CB -1.038 30.768 31.823 -0.028 0.000 0.648 117 V HN 0.791 nan 8.190 nan 0.000 0.447 118 C N 0.280 119.592 119.300 0.020 0.000 2.429 118 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 118 C C 2.849 177.919 174.990 0.133 0.000 1.262 118 C CA 1.406 60.516 59.018 0.153 0.000 1.733 118 C CB -1.038 26.855 27.740 0.256 0.000 2.010 118 C HN 0.570 nan 8.230 nan 0.000 0.483 119 K N 0.760 121.203 120.400 0.073 0.000 2.057 119 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 119 K C 2.311 178.673 176.600 -0.397 0.000 1.049 119 K CA 1.527 57.817 56.287 0.004 0.000 0.931 119 K CB -0.418 32.170 32.500 0.147 0.000 0.714 119 K HN 0.545 nan 8.250 nan 0.000 0.440 120 A N 1.621 123.986 122.820 -0.758 0.000 1.902 120 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 120 A C 2.495 179.613 177.584 -0.776 0.000 1.181 120 A CA 1.964 53.092 52.037 -1.515 0.000 0.623 120 A CB -1.337 17.043 19.000 -1.033 0.000 0.818 120 A HN 0.428 nan 8.150 nan 0.000 0.443 121 G N -0.481 108.038 108.800 -0.467 0.000 2.440 121 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.218 121 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.218 121 G C 1.740 176.163 174.900 -0.794 0.000 1.154 121 G CA 1.600 46.418 45.100 -0.469 0.000 0.767 121 G HN 0.828 nan 8.290 nan 0.000 0.552 122 A N 0.090 122.429 122.820 -0.802 0.000 1.877 122 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 122 A C 2.613 179.997 177.584 -0.333 0.000 1.186 122 A CA 1.929 53.604 52.037 -0.603 0.000 0.620 122 A CB -0.684 18.174 19.000 -0.238 0.000 0.822 122 A HN 0.279 nan 8.150 nan 0.000 0.443 123 V N -0.010 119.750 119.914 -0.257 0.000 2.427 123 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 123 V C 2.558 178.589 176.094 -0.105 0.000 1.051 123 V CA 2.342 64.586 62.300 -0.093 0.000 1.048 123 V CB -0.703 31.189 31.823 0.114 0.000 0.666 123 V HN 0.730 nan 8.190 nan 0.000 0.456 124 E N 0.869 120.956 120.200 -0.190 0.000 2.110 124 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 124 E C 2.024 178.553 176.600 -0.118 0.000 0.988 124 E CA 1.499 57.820 56.400 -0.132 0.000 0.804 124 E CB -0.189 29.411 29.700 -0.166 0.000 0.745 124 E HN 0.544 nan 8.360 nan 0.000 0.458 125 K N -1.037 119.258 120.400 -0.175 0.000 2.487 125 K HA 0.154 4.474 4.320 -0.000 0.000 0.192 125 K C 0.668 177.213 176.600 -0.091 0.000 1.027 125 K CA 0.456 56.667 56.287 -0.126 0.000 1.054 125 K CB 0.270 32.679 32.500 -0.151 0.000 0.824 125 K HN 0.255 nan 8.250 nan 0.000 0.510 126 G N 1.750 110.496 108.800 -0.090 0.000 2.314 126 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.292 126 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.292 126 G C -0.381 174.476 174.900 -0.071 0.000 1.059 126 G CA 0.321 45.385 45.100 -0.060 0.000 0.982 126 G HN 0.204 nan 8.290 nan 0.000 0.505 127 V N -0.214 119.637 119.914 -0.104 0.000 3.049 127 V HA 0.753 4.873 4.120 -0.000 0.000 0.309 127 V C -2.189 173.795 176.094 -0.183 0.000 1.148 127 V CA -1.847 60.378 62.300 -0.126 0.000 0.990 127 V CB 2.485 34.244 31.823 -0.106 0.000 1.039 127 V HN 0.131 nan 8.190 nan 0.000 0.430 128 P HA 0.135 nan 4.420 nan 0.000 0.269 128 P C 0.556 177.606 177.300 -0.417 0.000 1.215 128 P CA -0.093 62.757 63.100 -0.416 0.000 0.780 128 P CB 0.566 31.779 31.700 -0.811 0.000 0.898 129 L N 3.890 124.961 121.223 -0.253 0.000 2.013 129 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 129 L C 2.176 178.962 176.870 -0.141 0.000 1.073 129 L CA 2.034 56.799 54.840 -0.124 0.000 0.753 129 L CB -1.697 40.321 42.059 -0.069 0.000 0.890 129 L HN 0.513 nan 8.230 nan 0.000 0.432 130 Y N -1.201 119.051 120.300 -0.080 0.000 2.256 130 Y HA -0.181 4.368 4.550 -0.000 0.000 0.288 130 Y C 2.566 178.435 175.900 -0.051 0.000 1.155 130 Y CA 1.376 59.416 58.100 -0.100 0.000 1.203 130 Y CB -1.117 37.280 38.460 -0.106 0.000 0.980 130 Y HN 0.162 nan 8.280 nan 0.000 0.530 131 R N 0.202 120.487 120.500 -0.359 0.000 2.090 131 R HA -0.153 4.186 4.340 -0.000 0.000 0.228 131 R C 2.110 178.392 176.300 -0.030 0.000 1.110 131 R CA 1.898 57.916 56.100 -0.135 0.000 0.973 131 R CB -1.283 28.874 30.300 -0.239 0.000 0.869 131 R HN 0.592 nan 8.270 nan 0.000 0.440 132 H N 0.186 119.165 119.070 -0.151 0.000 2.357 132 H HA 0.008 4.563 4.556 -0.000 0.000 0.301 132 H C 1.676 176.973 175.328 -0.052 0.000 1.082 132 H CA 2.092 58.084 56.048 -0.093 0.000 1.342 132 H CB -0.077 29.625 29.762 -0.100 0.000 1.389 132 H HN 0.131 nan 8.280 nan 0.000 0.511 133 I N 0.643 121.138 120.570 -0.126 0.000 2.226 133 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 133 I C 2.658 178.709 176.117 -0.109 0.000 1.100 133 I CA 1.284 62.490 61.300 -0.157 0.000 1.374 133 I CB -1.646 36.292 38.000 -0.104 0.000 1.057 133 I HN 0.407 nan 8.210 nan 0.000 0.413 134 A N 0.902 123.694 122.820 -0.046 0.000 1.883 134 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 134 A C 1.988 179.549 177.584 -0.039 0.000 1.186 134 A CA 2.111 54.137 52.037 -0.019 0.000 0.624 134 A CB -0.653 18.364 19.000 0.028 0.000 0.822 134 A HN 0.394 nan 8.150 nan 0.000 0.444 135 D N 0.091 120.463 120.400 -0.048 0.000 2.117 135 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 135 D C 1.932 178.186 176.300 -0.076 0.000 0.987 135 D CA 1.099 55.074 54.000 -0.042 0.000 0.829 135 D CB -0.400 40.396 40.800 -0.008 0.000 0.961 135 D HN 0.472 nan 8.370 nan 0.000 0.460 136 L N 0.485 121.617 121.223 -0.151 0.000 2.131 136 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 136 L C 2.227 179.047 176.870 -0.083 0.000 1.092 136 L CA 0.945 55.699 54.840 -0.144 0.000 0.759 136 L CB -0.256 41.664 42.059 -0.231 0.000 0.903 136 L HN -0.027 nan 8.230 nan 0.000 0.435 137 A N -0.719 122.059 122.820 -0.070 0.000 2.275 137 A HA 0.339 4.659 4.320 -0.000 0.000 0.212 137 A C 1.657 179.220 177.584 -0.034 0.000 1.201 137 A CA 0.606 52.617 52.037 -0.044 0.000 0.843 137 A CB -0.182 18.797 19.000 -0.035 0.000 0.873 137 A HN 0.467 nan 8.150 nan 0.000 0.492 138 G N -0.198 108.582 108.800 -0.033 0.000 2.176 138 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 138 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 138 G C -0.223 174.668 174.900 -0.016 0.000 1.024 138 G CA 0.235 45.321 45.100 -0.023 0.000 0.755 138 G HN 0.654 nan 8.290 nan 0.000 0.507 139 N N -0.035 118.657 118.700 -0.014 0.000 2.438 139 N HA 0.491 5.230 4.740 -0.000 0.000 0.282 139 N C 1.400 176.911 175.510 0.002 0.000 1.037 139 N CA -0.024 53.022 53.050 -0.006 0.000 0.942 139 N CB 1.223 39.707 38.487 -0.005 0.000 1.136 139 N HN 0.270 nan 8.380 nan 0.000 0.481 140 S N 1.597 117.300 115.700 0.004 0.000 2.421 140 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 140 S C 0.567 175.178 174.600 0.018 0.000 1.035 140 S CA 0.349 58.556 58.200 0.010 0.000 0.953 140 S CB 0.109 63.313 63.200 0.007 0.000 0.810 140 S HN 0.544 nan 8.310 nan 0.000 0.497 141 E N 0.104 120.313 120.200 0.015 0.000 2.280 141 E HA 0.670 5.020 4.350 -0.000 0.000 0.261 141 E C -1.522 175.090 176.600 0.021 0.000 1.088 141 E CA -0.709 55.702 56.400 0.018 0.000 0.915 141 E CB 1.918 31.625 29.700 0.011 0.000 1.141 141 E HN 0.092 nan 8.360 nan 0.000 0.433 142 V N 1.968 121.893 119.914 0.019 0.000 2.888 142 V HA 0.495 4.615 4.120 -0.000 0.000 0.309 142 V C -1.430 174.647 176.094 -0.029 0.000 1.114 142 V CA -0.563 61.738 62.300 0.003 0.000 0.940 142 V CB 1.866 33.716 31.823 0.044 0.000 1.021 142 V HN 0.561 nan 8.190 nan 0.000 0.426 143 I N 3.505 124.044 120.570 -0.052 0.000 2.827 143 I HA 0.604 4.773 4.170 -0.000 0.000 0.298 143 I C -1.583 174.500 176.117 -0.057 0.000 1.235 143 I CA -0.712 60.565 61.300 -0.040 0.000 1.021 143 I CB 1.854 39.843 38.000 -0.019 0.000 1.259 143 I HN 0.300 nan 8.210 nan 0.000 0.427 144 L N 5.432 126.658 121.223 0.005 0.000 2.380 144 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 144 L C -2.124 174.811 176.870 0.109 0.000 1.138 144 L CA -1.182 53.683 54.840 0.041 0.000 0.832 144 L CB 0.356 42.543 42.059 0.213 0.000 1.124 144 L HN 0.601 nan 8.230 nan 0.000 0.454 145 P HA 0.188 nan 4.420 nan 0.000 0.282 145 P C -0.622 176.806 177.300 0.212 0.000 1.259 145 P CA -0.543 62.593 63.100 0.059 0.000 0.826 145 P CB 1.593 33.313 31.700 0.034 0.000 1.064 146 V N 3.906 123.815 119.914 -0.009 0.000 2.555 146 V HA 0.184 4.304 4.120 -0.000 0.000 0.286 146 V C -1.623 174.490 176.094 0.032 0.000 1.044 146 V CA -1.317 60.995 62.300 0.019 0.000 1.026 146 V CB 0.505 32.210 31.823 -0.196 0.000 0.981 146 V HN 0.611 nan 8.190 nan 0.000 0.480 147 P HA 0.402 nan 4.420 nan 0.000 0.282 147 P C -1.074 175.913 177.300 -0.522 0.000 1.249 147 P CA -0.590 62.336 63.100 -0.290 0.000 0.806 147 P CB 1.607 32.953 31.700 -0.591 0.000 0.984 148 A N 3.769 126.334 122.820 -0.425 0.000 2.316 148 A HA 0.553 4.873 4.320 -0.000 0.000 0.324 148 A C -0.753 176.687 177.584 -0.240 0.000 1.375 148 A CA -0.586 51.286 52.037 -0.275 0.000 0.882 148 A CB -0.506 18.421 19.000 -0.122 0.000 1.152 148 A HN 0.331 nan 8.150 nan 0.000 0.512 149 F N 1.819 121.756 119.950 -0.021 0.000 2.421 149 F HA 0.221 4.748 4.527 -0.000 0.000 0.358 149 F C 1.113 176.932 175.800 0.032 0.000 1.115 149 F CA -0.294 57.691 58.000 -0.024 0.000 1.160 149 F CB 0.954 39.874 39.000 -0.134 0.000 1.123 149 F HN 0.686 nan 8.300 nan 0.000 0.508 150 N N 3.567 122.413 118.700 0.244 0.000 2.663 150 N HA 0.160 4.900 4.740 -0.000 0.000 0.250 150 N C 0.872 176.508 175.510 0.210 0.000 1.129 150 N CA -0.275 52.906 53.050 0.219 0.000 0.995 150 N CB 0.668 39.295 38.487 0.233 0.000 1.324 150 N HN 0.615 nan 8.380 nan 0.000 0.512 151 V N 1.485 121.535 119.914 0.226 0.000 3.406 151 V HA 0.295 4.415 4.120 -0.000 0.000 0.263 151 V C 0.605 176.832 176.094 0.222 0.000 1.172 151 V CA 0.589 63.036 62.300 0.245 0.000 1.140 151 V CB -0.346 31.662 31.823 0.310 0.000 0.784 151 V HN 0.445 nan 8.190 nan 0.000 0.467 152 I N 1.558 122.255 120.570 0.212 0.000 2.478 152 I HA 0.426 4.596 4.170 -0.000 0.000 0.287 152 I C -0.862 175.381 176.117 0.209 0.000 1.042 152 I CA -0.357 61.022 61.300 0.132 0.000 1.067 152 I CB 1.890 39.827 38.000 -0.104 0.000 1.233 152 I HN 0.215 nan 8.210 nan 0.000 0.431 153 N N 3.718 122.516 118.700 0.164 0.000 2.443 153 N HA 0.730 5.469 4.740 -0.000 0.000 0.295 153 N C -0.134 175.481 175.510 0.175 0.000 1.076 153 N CA -0.506 52.670 53.050 0.210 0.000 0.919 153 N CB 2.508 41.109 38.487 0.191 0.000 1.176 153 N HN 0.730 nan 8.380 nan 0.000 0.487 154 G N -0.266 108.662 108.800 0.214 0.000 3.058 154 G HA2 0.685 4.645 3.960 -0.000 0.000 0.282 154 G HA3 0.685 4.645 3.960 -0.000 0.000 0.282 154 G C 0.140 175.133 174.900 0.155 0.000 1.248 154 G CA -0.114 45.091 45.100 0.175 0.000 0.822 154 G HN 0.789 nan 8.290 nan 0.000 0.579 155 G N -0.290 108.626 108.800 0.194 0.000 2.614 155 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.303 155 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.303 155 G C 1.271 176.325 174.900 0.256 0.000 1.270 155 G CA 0.930 46.221 45.100 0.318 0.000 0.988 155 G HN 1.554 nan 8.290 nan 0.000 0.551 156 S N 0.404 116.264 115.700 0.267 0.000 2.660 156 S HA 0.130 4.600 4.470 -0.000 0.000 0.223 156 S C 1.232 176.028 174.600 0.327 0.000 0.963 156 S CA 1.121 59.482 58.200 0.269 0.000 0.932 156 S CB -0.267 63.089 63.200 0.259 0.000 0.775 156 S HN 0.587 nan 8.310 nan 0.000 0.531 157 H N 0.125 119.268 119.070 0.122 0.000 2.652 157 H HA 0.535 5.091 4.556 -0.000 0.000 0.274 157 H C 0.513 175.883 175.328 0.070 0.000 1.021 157 H CA -0.133 55.965 56.048 0.084 0.000 1.187 157 H CB 0.583 30.395 29.762 0.084 0.000 1.505 157 H HN 0.342 nan 8.280 nan 0.000 0.530 158 A N 0.041 122.970 122.820 0.180 0.000 2.594 158 A HA 0.497 4.817 4.320 -0.000 0.000 0.295 158 A C 0.625 178.241 177.584 0.053 0.000 1.071 158 A CA -0.284 51.816 52.037 0.105 0.000 0.685 158 A CB 0.896 19.956 19.000 0.100 0.000 1.285 158 A HN 0.220 nan 8.150 nan 0.000 0.405 159 G N 1.045 109.864 108.800 0.032 0.000 3.374 159 G HA2 0.320 4.280 3.960 -0.000 0.000 0.252 159 G HA3 0.320 4.280 3.960 -0.000 0.000 0.252 159 G C 0.107 174.992 174.900 -0.024 0.000 1.326 159 G CA 0.245 45.347 45.100 0.003 0.000 1.133 159 G HN 0.853 nan 8.290 nan 0.000 0.528 160 N N -1.362 117.317 118.700 -0.035 0.000 2.671 160 N HA 0.322 5.062 4.740 -0.000 0.000 0.303 160 N C 0.858 176.310 175.510 -0.097 0.000 1.277 160 N CA -1.017 51.995 53.050 -0.063 0.000 0.933 160 N CB 0.986 39.434 38.487 -0.065 0.000 1.190 160 N HN -0.087 nan 8.380 nan 0.000 0.600 161 K N -1.020 119.317 120.400 -0.104 0.000 2.167 161 K HA 0.098 4.418 4.320 -0.000 0.000 0.203 161 K C 0.126 176.654 176.600 -0.121 0.000 1.052 161 K CA -0.058 56.154 56.287 -0.124 0.000 0.956 161 K CB -0.277 32.166 32.500 -0.095 0.000 0.735 161 K HN 0.265 nan 8.250 nan 0.000 0.451 162 L N 1.642 122.818 121.223 -0.078 0.000 2.771 162 L HA -0.182 4.157 4.340 -0.000 0.000 0.278 162 L C 1.042 177.941 176.870 0.048 0.000 1.175 162 L CA 0.224 55.057 54.840 -0.011 0.000 0.973 162 L CB 0.299 42.349 42.059 -0.016 0.000 1.286 162 L HN 0.134 nan 8.230 nan 0.000 0.481 163 A N 6.031 128.897 122.820 0.076 0.000 1.872 163 A HA 0.003 4.323 4.320 -0.000 0.000 0.214 163 A C 1.248 179.052 177.584 0.365 0.000 1.187 163 A CA 0.746 52.909 52.037 0.210 0.000 0.614 163 A CB -0.253 18.735 19.000 -0.020 0.000 0.826 163 A HN 0.713 nan 8.150 nan 0.000 0.442 164 M N 0.217 119.989 119.600 0.286 0.000 2.239 164 M HA 0.028 4.508 4.480 -0.000 0.000 0.348 164 M C 1.198 177.646 176.300 0.247 0.000 1.239 164 M CA 0.064 55.531 55.300 0.278 0.000 1.114 164 M CB 0.796 33.466 32.600 0.116 0.000 1.641 164 M HN 0.524 nan 8.290 nan 0.000 0.453 165 Q N 2.109 121.979 119.800 0.116 0.000 2.049 165 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 165 Q C -0.453 175.591 176.000 0.072 0.000 0.971 165 Q CA 1.279 57.094 55.803 0.021 0.000 0.833 165 Q CB 0.531 29.174 28.738 -0.159 0.000 0.896 165 Q HN 0.676 nan 8.270 nan 0.000 0.434 166 E N -0.616 119.575 120.200 -0.015 0.000 2.275 166 E HA 0.317 4.667 4.350 -0.000 0.000 0.270 166 E C -1.583 174.933 176.600 -0.140 0.000 0.882 166 E CA -0.468 55.971 56.400 0.066 0.000 0.758 166 E CB 1.554 31.300 29.700 0.076 0.000 1.195 166 E HN 0.007 nan 8.360 nan 0.000 0.419 167 F N 2.528 122.497 119.950 0.031 0.000 2.382 167 F HA 0.419 4.946 4.527 -0.000 0.000 0.361 167 F C -0.000 175.819 175.800 0.033 0.000 1.109 167 F CA -0.482 57.516 58.000 -0.003 0.000 1.031 167 F CB 0.884 39.867 39.000 -0.028 0.000 1.234 167 F HN 0.216 nan 8.300 nan 0.000 0.445 168 M N 5.019 124.683 119.600 0.108 0.000 2.508 168 M HA 0.640 5.120 4.480 -0.000 0.000 0.327 168 M C -0.547 175.805 176.300 0.086 0.000 1.160 168 M CA -0.877 54.487 55.300 0.106 0.000 0.980 168 M CB 2.562 35.193 32.600 0.052 0.000 1.693 168 M HN 0.447 nan 8.290 nan 0.000 0.452 169 I N 0.472 121.115 120.570 0.121 0.000 2.433 169 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 169 I C -1.609 174.553 176.117 0.075 0.000 1.001 169 I CA -1.090 60.269 61.300 0.098 0.000 1.119 169 I CB 1.379 39.455 38.000 0.126 0.000 1.289 169 I HN 0.420 nan 8.210 nan 0.000 0.438 170 L N 7.364 128.571 121.223 -0.026 0.000 2.343 170 L HA 0.517 4.856 4.340 -0.000 0.000 0.278 170 L C -2.366 174.443 176.870 -0.102 0.000 0.996 170 L CA -1.407 53.359 54.840 -0.124 0.000 0.831 170 L CB 1.484 43.366 42.059 -0.296 0.000 1.232 170 L HN 0.424 nan 8.230 nan 0.000 0.413 171 P HA 0.060 nan 4.420 nan 0.000 0.220 171 P C 1.239 178.549 177.300 0.017 0.000 1.806 171 P CA -0.142 62.941 63.100 -0.027 0.000 0.976 171 P CB 0.183 31.859 31.700 -0.040 0.000 1.952 172 V N -1.266 118.606 119.914 -0.070 0.000 2.720 172 V HA -0.067 4.052 4.120 -0.000 0.000 0.256 172 V C 1.829 177.972 176.094 0.083 0.000 1.082 172 V CA 2.170 64.433 62.300 -0.062 0.000 1.101 172 V CB -1.529 30.186 31.823 -0.180 0.000 0.693 172 V HN 0.315 nan 8.190 nan 0.000 0.479 173 G N -0.297 108.548 108.800 0.075 0.000 2.985 173 G HA2 0.453 4.413 3.960 -0.000 0.000 0.209 173 G HA3 0.453 4.413 3.960 -0.000 0.000 0.209 173 G C 0.692 175.655 174.900 0.105 0.000 1.165 173 G CA 0.373 45.530 45.100 0.096 0.000 0.776 173 G HN 0.936 nan 8.290 nan 0.000 0.541 174 A N -0.069 122.821 122.820 0.117 0.000 2.425 174 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 174 A C 1.760 179.365 177.584 0.036 0.000 1.077 174 A CA 0.483 52.519 52.037 -0.002 0.000 0.781 174 A CB 0.629 19.537 19.000 -0.153 0.000 1.020 174 A HN 0.678 nan 8.150 nan 0.000 0.494 175 A N 1.624 124.399 122.820 -0.075 0.000 1.970 175 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 175 A C 0.847 178.345 177.584 -0.143 0.000 1.170 175 A CA 1.211 53.229 52.037 -0.032 0.000 0.645 175 A CB -0.491 18.491 19.000 -0.030 0.000 0.816 175 A HN 1.015 nan 8.150 nan 0.000 0.447 176 N N -4.341 114.069 118.700 -0.483 0.000 3.106 176 N HA 0.229 4.969 4.740 -0.000 0.000 0.253 176 N C 0.233 175.087 175.510 -1.095 0.000 1.506 176 N CA -0.503 52.126 53.050 -0.702 0.000 0.876 176 N CB 0.319 38.659 38.487 -0.244 0.000 1.452 176 N HN -0.112 nan 8.380 nan 0.000 0.542 177 F N 1.623 121.064 119.950 -0.849 0.000 2.171 177 F HA -0.029 4.498 4.527 -0.000 0.000 0.300 177 F C 2.687 178.320 175.800 -0.278 0.000 1.090 177 F CA 1.565 59.264 58.000 -0.502 0.000 1.293 177 F CB -0.019 38.903 39.000 -0.129 0.000 1.013 177 F HN 0.529 nan 8.300 nan 0.000 0.486 178 R N 0.089 120.487 120.500 -0.170 0.000 2.096 178 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 178 R C 2.087 178.231 176.300 -0.259 0.000 1.127 178 R CA 1.734 57.737 56.100 -0.161 0.000 0.968 178 R CB -1.181 29.089 30.300 -0.050 0.000 0.861 178 R HN 0.442 nan 8.270 nan 0.000 0.440 179 E N 1.464 121.489 120.200 -0.293 0.000 2.106 179 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 179 E C 2.065 178.452 176.600 -0.354 0.000 0.984 179 E CA 0.960 57.195 56.400 -0.275 0.000 0.806 179 E CB -0.071 29.487 29.700 -0.236 0.000 0.750 179 E HN 0.435 nan 8.360 nan 0.000 0.458 180 A N 1.171 123.717 122.820 -0.457 0.000 1.908 180 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 180 A C 2.181 179.568 177.584 -0.329 0.000 1.181 180 A CA 1.654 53.462 52.037 -0.381 0.000 0.627 180 A CB -0.420 18.324 19.000 -0.427 0.000 0.818 180 A HN 0.295 nan 8.150 nan 0.000 0.445 181 M N -0.930 118.394 119.600 -0.460 0.000 2.132 181 M HA -0.092 4.387 4.480 -0.000 0.000 0.263 181 M C 2.211 178.322 176.300 -0.315 0.000 1.065 181 M CA 1.778 56.874 55.300 -0.339 0.000 1.122 181 M CB -1.208 31.215 32.600 -0.295 0.000 1.365 181 M HN 0.618 nan 8.290 nan 0.000 0.411 182 R N 0.569 120.912 120.500 -0.262 0.000 2.073 182 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 182 R C 2.099 178.252 176.300 -0.245 0.000 1.134 182 R CA 1.478 57.461 56.100 -0.196 0.000 0.952 182 R CB -0.275 29.940 30.300 -0.142 0.000 0.850 182 R HN 0.306 nan 8.270 nan 0.000 0.433 183 I N 0.269 120.603 120.570 -0.393 0.000 2.179 183 I HA -0.174 3.996 4.170 -0.000 0.000 0.242 183 I C 2.506 178.417 176.117 -0.344 0.000 1.088 183 I CA 1.450 62.415 61.300 -0.558 0.000 1.357 183 I CB -0.691 36.876 38.000 -0.722 0.000 1.051 183 I HN 0.445 nan 8.210 nan 0.000 0.409 184 G N 0.562 109.105 108.800 -0.428 0.000 2.446 184 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 184 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 184 G C 1.852 176.336 174.900 -0.693 0.000 1.168 184 G CA 0.932 45.540 45.100 -0.820 0.000 0.771 184 G HN 0.498 nan 8.290 nan 0.000 0.551 185 A N 0.744 123.240 122.820 -0.539 0.000 1.873 185 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 185 A C 2.184 179.729 177.584 -0.064 0.000 1.186 185 A CA 1.907 53.759 52.037 -0.309 0.000 0.616 185 A CB -0.386 18.529 19.000 -0.142 0.000 0.823 185 A HN 0.456 nan 8.150 nan 0.000 0.442 186 E N -0.371 119.841 120.200 0.019 0.000 2.106 186 E HA -0.105 4.245 4.350 -0.000 0.000 0.192 186 E C 1.959 178.632 176.600 0.121 0.000 0.984 186 E CA 1.199 57.689 56.400 0.150 0.000 0.806 186 E CB -0.230 29.599 29.700 0.215 0.000 0.750 186 E HN 0.395 nan 8.360 nan 0.000 0.458 187 V N 0.768 120.725 119.914 0.072 0.000 2.343 187 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 187 V C 2.028 178.159 176.094 0.063 0.000 1.051 187 V CA 1.761 64.109 62.300 0.080 0.000 1.036 187 V CB -0.568 31.296 31.823 0.069 0.000 0.654 187 V HN 0.309 nan 8.190 nan 0.000 0.451 188 Y N 0.759 120.973 120.300 -0.145 0.000 2.128 188 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 188 Y C 2.754 178.627 175.900 -0.044 0.000 1.154 188 Y CA 2.100 60.123 58.100 -0.128 0.000 1.149 188 Y CB -0.376 37.857 38.460 -0.379 0.000 0.976 188 Y HN 0.362 nan 8.280 nan 0.000 0.505 189 H N -0.457 118.696 119.070 0.139 0.000 2.423 189 H HA -0.106 4.449 4.556 -0.000 0.000 0.297 189 H C 1.939 177.234 175.328 -0.055 0.000 1.075 189 H CA 1.337 57.405 56.048 0.033 0.000 1.342 189 H CB -0.336 29.473 29.762 0.079 0.000 1.395 189 H HN 0.473 nan 8.280 nan 0.000 0.530 190 N N 0.770 119.506 118.700 0.059 0.000 2.188 190 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 190 N C 2.116 177.576 175.510 -0.084 0.000 1.018 190 N CA 0.398 53.445 53.050 -0.004 0.000 0.858 190 N CB -0.175 38.322 38.487 0.016 0.000 0.989 190 N HN 0.180 nan 8.380 nan 0.000 0.426 191 L N 2.341 123.503 121.223 -0.101 0.000 2.079 191 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 191 L C 2.219 178.831 176.870 -0.428 0.000 1.081 191 L CA 1.715 56.453 54.840 -0.170 0.000 0.752 191 L CB -0.521 41.504 42.059 -0.057 0.000 0.896 191 L HN 0.013 nan 8.230 nan 0.000 0.433 192 K N -0.769 119.266 120.400 -0.607 0.000 2.057 192 K HA -0.187 4.133 4.320 -0.000 0.000 0.207 192 K C 1.829 178.147 176.600 -0.469 0.000 1.049 192 K CA 1.572 57.297 56.287 -0.936 0.000 0.931 192 K CB -0.052 32.081 32.500 -0.612 0.000 0.714 192 K HN 0.445 nan 8.250 nan 0.000 0.440 193 N N 0.362 118.905 118.700 -0.262 0.000 2.171 193 N HA -0.121 4.618 4.740 -0.000 0.000 0.184 193 N C 1.860 177.275 175.510 -0.158 0.000 1.021 193 N CA 1.078 54.028 53.050 -0.167 0.000 0.854 193 N CB -0.299 38.127 38.487 -0.102 0.000 0.994 193 N HN -0.002 nan 8.380 nan 0.000 0.426 194 V N 1.992 121.811 119.914 -0.157 0.000 2.295 194 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 194 V C 2.306 178.327 176.094 -0.121 0.000 1.049 194 V CA 1.254 63.482 62.300 -0.121 0.000 1.024 194 V CB -0.398 31.368 31.823 -0.095 0.000 0.648 194 V HN 0.213 nan 8.190 nan 0.000 0.447 195 I N -0.372 120.100 120.570 -0.164 0.000 2.252 195 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 195 I C 2.589 178.667 176.117 -0.066 0.000 1.102 195 I CA 1.684 62.937 61.300 -0.079 0.000 1.385 195 I CB -0.387 37.486 38.000 -0.212 0.000 1.064 195 I HN 0.270 nan 8.210 nan 0.000 0.414 196 K N 1.109 121.418 120.400 -0.152 0.000 2.026 196 K HA -0.264 4.055 4.320 -0.000 0.000 0.208 196 K C 2.110 178.655 176.600 -0.091 0.000 1.048 196 K CA 1.777 57.999 56.287 -0.109 0.000 0.929 196 K CB -0.083 32.340 32.500 -0.128 0.000 0.713 196 K HN 0.247 nan 8.250 nan 0.000 0.439 197 E N 0.371 120.505 120.200 -0.109 0.000 2.153 197 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 197 E C 1.857 178.364 176.600 -0.154 0.000 0.988 197 E CA 1.244 57.578 56.400 -0.112 0.000 0.811 197 E CB 0.161 29.799 29.700 -0.104 0.000 0.746 197 E HN 0.199 nan 8.360 nan 0.000 0.466 198 K N -1.202 119.069 120.400 -0.214 0.000 2.202 198 K HA -0.033 4.286 4.320 -0.000 0.000 0.201 198 K C 0.867 177.101 176.600 -0.610 0.000 1.051 198 K CA 0.650 56.680 56.287 -0.428 0.000 0.977 198 K CB 0.239 32.409 32.500 -0.551 0.000 0.792 198 K HN 0.140 nan 8.250 nan 0.000 0.469 199 Y N -0.354 119.900 120.300 -0.076 0.000 2.500 199 Y HA 0.310 4.859 4.550 -0.000 0.000 0.246 199 Y C 0.523 176.387 175.900 -0.060 0.000 1.146 199 Y CA -0.006 58.055 58.100 -0.066 0.000 1.230 199 Y CB 1.721 40.139 38.460 -0.072 0.000 1.214 199 Y HN 0.213 nan 8.280 nan 0.000 0.526 200 G N 0.801 109.618 108.800 0.028 0.000 2.707 200 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 200 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 200 G C 0.299 175.201 174.900 0.005 0.000 1.315 200 G CA -0.384 44.721 45.100 0.008 0.000 0.832 200 G HN 0.180 nan 8.290 nan 0.000 0.573 201 K N -0.253 120.143 120.400 -0.006 0.000 2.097 201 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 201 K C 1.685 178.290 176.600 0.008 0.000 1.049 201 K CA 1.659 57.942 56.287 -0.007 0.000 0.933 201 K CB -0.097 32.401 32.500 -0.004 0.000 0.717 201 K HN 0.516 nan 8.250 nan 0.000 0.442 202 D N 0.763 121.172 120.400 0.015 0.000 2.351 202 D HA -0.114 4.526 4.640 -0.000 0.000 0.216 202 D C 1.430 177.742 176.300 0.019 0.000 0.968 202 D CA 0.811 54.822 54.000 0.019 0.000 0.899 202 D CB 0.076 40.886 40.800 0.016 0.000 0.907 202 D HN 0.248 nan 8.370 nan 0.000 0.514 203 A N 0.359 123.189 122.820 0.017 0.000 2.238 203 A HA 0.009 4.328 4.320 -0.000 0.000 0.210 203 A C 1.920 179.509 177.584 0.009 0.000 1.179 203 A CA 0.779 52.816 52.037 0.001 0.000 0.827 203 A CB -0.187 18.825 19.000 0.020 0.000 0.856 203 A HN 0.235 nan 8.150 nan 0.000 0.488 204 T N -2.073 112.491 114.554 0.017 0.000 3.163 204 T HA 0.142 4.492 4.350 -0.000 0.000 0.252 204 T C 0.381 175.229 174.700 0.247 0.000 1.056 204 T CA -0.572 61.559 62.100 0.053 0.000 0.947 204 T CB -0.370 68.455 68.868 -0.071 0.000 1.016 204 T HN 0.225 nan 8.240 nan 0.000 0.554 205 N N 1.943 120.746 118.700 0.171 0.000 2.381 205 N HA 0.442 5.182 4.740 -0.000 0.000 0.254 205 N C 0.033 175.646 175.510 0.171 0.000 1.264 205 N CA -0.282 52.861 53.050 0.155 0.000 0.942 205 N CB 1.599 40.139 38.487 0.089 0.000 1.190 205 N HN 0.348 nan 8.380 nan 0.000 0.495 206 V N -3.007 116.969 119.914 0.104 0.000 3.019 206 V HA 0.885 5.005 4.120 -0.000 0.000 0.317 206 V C 0.660 176.784 176.094 0.050 0.000 1.094 206 V CA -0.790 61.542 62.300 0.054 0.000 1.000 206 V CB 1.142 32.961 31.823 -0.006 0.000 1.060 206 V HN 0.633 nan 8.190 nan 0.000 0.443 207 G N 0.421 109.251 108.800 0.050 0.000 2.532 207 G HA2 0.364 4.323 3.960 -0.000 0.000 0.291 207 G HA3 0.364 4.323 3.960 -0.000 0.000 0.291 207 G C 0.110 175.037 174.900 0.045 0.000 1.349 207 G CA -0.011 45.129 45.100 0.067 0.000 1.038 207 G HN 0.757 nan 8.290 nan 0.000 0.518 208 D N -0.271 120.151 120.400 0.037 0.000 2.190 208 D HA -0.084 4.556 4.640 -0.000 0.000 0.200 208 D C 1.757 178.029 176.300 -0.047 0.000 0.992 208 D CA 1.169 55.147 54.000 -0.036 0.000 0.854 208 D CB 0.222 40.935 40.800 -0.145 0.000 0.936 208 D HN 0.602 nan 8.370 nan 0.000 0.462 209 E N -0.977 119.225 120.200 0.003 0.000 2.451 209 E HA 0.309 4.659 4.350 -0.000 0.000 0.194 209 E C 1.016 177.654 176.600 0.064 0.000 1.027 209 E CA 0.169 56.601 56.400 0.052 0.000 0.914 209 E CB 0.801 30.582 29.700 0.134 0.000 1.054 209 E HN 0.239 nan 8.360 nan 0.000 0.461 210 G N 1.248 110.059 108.800 0.020 0.000 2.176 210 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.253 210 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.253 210 G C 0.580 175.429 174.900 -0.084 0.000 0.979 210 G CA -0.181 44.897 45.100 -0.038 0.000 0.641 210 G HN 0.474 nan 8.290 nan 0.000 0.530 211 G N -0.362 108.429 108.800 -0.015 0.000 2.476 211 G HA2 0.574 4.534 3.960 -0.000 0.000 0.269 211 G HA3 0.574 4.534 3.960 -0.000 0.000 0.269 211 G C 0.112 174.943 174.900 -0.116 0.000 1.195 211 G CA -0.678 44.405 45.100 -0.027 0.000 0.843 211 G HN 0.303 nan 8.290 nan 0.000 0.545 212 F N 0.109 120.130 119.950 0.119 0.000 2.545 212 F HA 0.336 4.863 4.527 -0.000 0.000 0.348 212 F C 1.118 176.916 175.800 -0.004 0.000 1.163 212 F CA 0.463 58.474 58.000 0.018 0.000 1.331 212 F CB 1.108 40.065 39.000 -0.072 0.000 1.138 212 F HN 0.455 nan 8.300 nan 0.000 0.602 213 A N 3.616 126.540 122.820 0.173 0.000 3.218 213 A HA 0.374 4.694 4.320 -0.000 0.000 0.321 213 A C -2.528 175.055 177.584 -0.002 0.000 1.012 213 A CA -1.432 50.643 52.037 0.064 0.000 0.948 213 A CB -0.834 18.202 19.000 0.059 0.000 1.050 213 A HN 0.372 nan 8.150 nan 0.000 0.492 214 P HA 0.023 nan 4.420 nan 0.000 0.271 214 P C -0.339 176.833 177.300 -0.212 0.000 1.216 214 P CA -0.104 62.888 63.100 -0.180 0.000 0.776 214 P CB 0.729 32.239 31.700 -0.316 0.000 0.881 215 N N 2.569 121.144 118.700 -0.208 0.000 3.243 215 N HA 0.108 4.848 4.740 -0.000 0.000 0.310 215 N C 0.016 175.396 175.510 -0.217 0.000 1.313 215 N CA -0.368 52.582 53.050 -0.166 0.000 1.204 215 N CB -1.234 37.193 38.487 -0.100 0.000 1.483 215 N HN 0.363 nan 8.380 nan 0.000 0.553 216 I N -2.502 117.901 120.570 -0.277 0.000 2.577 216 I HA 0.323 4.492 4.170 -0.000 0.000 0.305 216 I C 0.830 176.858 176.117 -0.149 0.000 0.986 216 I CA -0.893 60.253 61.300 -0.257 0.000 1.189 216 I CB 1.448 39.237 38.000 -0.353 0.000 1.355 216 I HN -0.059 nan 8.210 nan 0.000 0.476 217 L N 2.325 123.491 121.223 -0.094 0.000 2.425 217 L HA 0.345 4.685 4.340 -0.000 0.000 0.215 217 L C 0.860 177.717 176.870 -0.021 0.000 1.065 217 L CA 0.918 55.726 54.840 -0.054 0.000 0.842 217 L CB -0.134 41.904 42.059 -0.035 0.000 1.033 217 L HN 0.626 nan 8.230 nan 0.000 0.474 218 E N 0.626 120.816 120.200 -0.016 0.000 2.217 218 E HA 0.007 4.357 4.350 -0.000 0.000 0.279 218 E C 0.322 176.945 176.600 0.039 0.000 1.068 218 E CA 0.038 56.458 56.400 0.034 0.000 0.882 218 E CB 0.525 30.254 29.700 0.048 0.000 1.039 218 E HN 0.386 nan 8.360 nan 0.000 0.418 219 N N 2.953 121.741 118.700 0.147 0.000 2.223 219 N HA -0.198 4.542 4.740 -0.000 0.000 0.185 219 N C 1.579 177.145 175.510 0.095 0.000 1.016 219 N CA 0.878 54.081 53.050 0.256 0.000 0.863 219 N CB 0.094 38.836 38.487 0.425 0.000 0.983 219 N HN 0.322 nan 8.380 nan 0.000 0.429 220 K N 1.067 121.536 120.400 0.115 0.000 2.097 220 K HA -0.203 4.116 4.320 -0.000 0.000 0.206 220 K C 1.798 178.356 176.600 -0.070 0.000 1.049 220 K CA 1.225 57.520 56.287 0.013 0.000 0.933 220 K CB 0.060 32.731 32.500 0.285 0.000 0.717 220 K HN 0.053 nan 8.250 nan 0.000 0.442 221 E N 0.047 120.230 120.200 -0.028 0.000 2.110 221 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 221 E C 1.748 178.244 176.600 -0.173 0.000 0.988 221 E CA 1.694 58.066 56.400 -0.046 0.000 0.804 221 E CB -0.546 29.146 29.700 -0.013 0.000 0.745 221 E HN 0.414 nan 8.360 nan 0.000 0.458 222 G N 0.742 109.346 108.800 -0.327 0.000 2.440 222 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 222 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 222 G C 1.595 176.266 174.900 -0.380 0.000 1.154 222 G CA 0.994 45.725 45.100 -0.615 0.000 0.767 222 G HN 0.319 nan 8.290 nan 0.000 0.552 223 L N -0.021 121.005 121.223 -0.327 0.000 2.083 223 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 223 L C 2.768 179.324 176.870 -0.525 0.000 1.083 223 L CA 1.376 55.898 54.840 -0.530 0.000 0.752 223 L CB -0.294 41.086 42.059 -1.132 0.000 0.899 223 L HN 0.228 nan 8.230 nan 0.000 0.433 224 E N 0.685 120.690 120.200 -0.324 0.000 2.110 224 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 224 E C 2.172 178.775 176.600 0.005 0.000 0.988 224 E CA 1.227 57.639 56.400 0.020 0.000 0.804 224 E CB -0.199 29.574 29.700 0.122 0.000 0.745 224 E HN 0.359 nan 8.360 nan 0.000 0.458 225 L N -0.384 120.806 121.223 -0.055 0.000 2.046 225 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 225 L C 2.232 179.087 176.870 -0.026 0.000 1.077 225 L CA 0.588 55.407 54.840 -0.036 0.000 0.747 225 L CB -0.440 41.579 42.059 -0.066 0.000 0.896 225 L HN 0.219 nan 8.230 nan 0.000 0.432 226 L N 0.169 121.367 121.223 -0.042 0.000 1.989 226 L HA -0.260 4.079 4.340 -0.000 0.000 0.211 226 L C 2.600 179.492 176.870 0.036 0.000 1.071 226 L CA 1.785 56.630 54.840 0.007 0.000 0.749 226 L CB -0.826 41.240 42.059 0.013 0.000 0.890 226 L HN 0.210 nan 8.230 nan 0.000 0.431 227 K N -1.206 119.224 120.400 0.051 0.000 2.074 227 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 227 K C 1.901 178.549 176.600 0.080 0.000 1.048 227 K CA 2.029 58.383 56.287 0.113 0.000 0.926 227 K CB -0.136 32.504 32.500 0.233 0.000 0.713 227 K HN 0.333 nan 8.250 nan 0.000 0.444 228 T N 0.570 115.158 114.554 0.057 0.000 2.737 228 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 228 T C 1.901 176.611 174.700 0.017 0.000 1.038 228 T CA 1.306 63.424 62.100 0.031 0.000 1.144 228 T CB -0.306 68.570 68.868 0.013 0.000 0.866 228 T HN 0.433 nan 8.240 nan 0.000 0.434 229 A N 1.050 123.879 122.820 0.014 0.000 1.933 229 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 229 A C 2.286 179.895 177.584 0.040 0.000 1.175 229 A CA 1.115 53.160 52.037 0.013 0.000 0.628 229 A CB -0.791 18.215 19.000 0.010 0.000 0.814 229 A HN 0.513 nan 8.150 nan 0.000 0.444 230 I N -0.315 120.292 120.570 0.061 0.000 2.226 230 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 230 I C 2.681 178.836 176.117 0.063 0.000 1.100 230 I CA 1.184 62.540 61.300 0.092 0.000 1.374 230 I CB -0.537 37.523 38.000 0.099 0.000 1.057 230 I HN 0.401 nan 8.210 nan 0.000 0.413 231 G N 0.395 109.218 108.800 0.038 0.000 2.402 231 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 231 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 231 G C 1.712 176.598 174.900 -0.023 0.000 1.162 231 G CA 0.576 45.682 45.100 0.010 0.000 0.777 231 G HN 0.269 nan 8.290 nan 0.000 0.539 232 K N 0.513 120.902 120.400 -0.018 0.000 2.097 232 K HA 0.022 4.342 4.320 -0.000 0.000 0.206 232 K C 2.614 179.179 176.600 -0.058 0.000 1.049 232 K CA 1.153 57.419 56.287 -0.035 0.000 0.933 232 K CB -0.233 32.251 32.500 -0.026 0.000 0.717 232 K HN 0.237 nan 8.250 nan 0.000 0.442 233 A N 0.052 122.847 122.820 -0.043 0.000 2.167 233 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 233 A C 1.256 178.628 177.584 -0.353 0.000 1.151 233 A CA 1.010 52.996 52.037 -0.085 0.000 0.735 233 A CB -0.395 18.665 19.000 0.099 0.000 0.802 233 A HN 0.539 nan 8.150 nan 0.000 0.467 234 G N -2.298 106.343 108.800 -0.265 0.000 2.160 234 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.244 234 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.244 234 G C 0.121 174.767 174.900 -0.424 0.000 1.022 234 G CA 0.573 45.467 45.100 -0.344 0.000 0.741 234 G HN 0.644 nan 8.290 nan 0.000 0.508 235 Y N -0.257 120.046 120.300 0.006 0.000 2.720 235 Y HA 0.253 4.802 4.550 -0.000 0.000 0.268 235 Y C 2.320 178.230 175.900 0.017 0.000 1.142 235 Y CA 0.296 58.401 58.100 0.008 0.000 1.193 235 Y CB 0.540 39.002 38.460 0.003 0.000 1.176 235 Y HN 0.218 nan 8.280 nan 0.000 0.542 236 T N -0.446 114.176 114.554 0.114 0.000 2.737 236 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 236 T C 1.061 175.815 174.700 0.090 0.000 1.040 236 T CA 1.912 64.067 62.100 0.091 0.000 1.142 236 T CB -0.112 68.789 68.868 0.055 0.000 0.861 236 T HN 0.335 nan 8.240 nan 0.000 0.456 237 D N 0.327 120.781 120.400 0.091 0.000 2.349 237 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 237 D C 1.617 177.971 176.300 0.090 0.000 1.029 237 D CA 0.620 54.669 54.000 0.081 0.000 0.879 237 D CB 0.127 40.968 40.800 0.068 0.000 0.906 237 D HN 0.371 nan 8.370 nan 0.000 0.528 238 K N -0.530 119.937 120.400 0.113 0.000 2.402 238 K HA 0.207 4.527 4.320 -0.000 0.000 0.204 238 K C -0.343 176.286 176.600 0.047 0.000 1.056 238 K CA 0.032 56.369 56.287 0.084 0.000 1.069 238 K CB 2.266 34.820 32.500 0.090 0.000 0.888 238 K HN -0.137 nan 8.250 nan 0.000 0.546 239 V N 2.251 122.202 119.914 0.061 0.000 2.604 239 V HA 0.360 4.480 4.120 -0.000 0.000 0.305 239 V C -0.158 175.954 176.094 0.030 0.000 1.043 239 V CA -1.033 61.286 62.300 0.033 0.000 0.888 239 V CB 1.745 33.603 31.823 0.059 0.000 0.995 239 V HN -0.035 nan 8.190 nan 0.000 0.429 240 V N 2.543 122.449 119.914 -0.013 0.000 3.103 240 V HA 0.731 4.851 4.120 -0.000 0.000 0.318 240 V C -0.506 175.584 176.094 -0.008 0.000 1.114 240 V CA -0.937 61.363 62.300 -0.000 0.000 1.020 240 V CB 2.191 34.001 31.823 -0.021 0.000 1.085 240 V HN 0.658 nan 8.190 nan 0.000 0.446 241 I N 0.857 121.437 120.570 0.018 0.000 2.562 241 I HA 0.803 4.973 4.170 -0.000 0.000 0.301 241 I C 0.552 176.665 176.117 -0.006 0.000 1.003 241 I CA -0.385 60.922 61.300 0.011 0.000 1.127 241 I CB 2.015 40.029 38.000 0.022 0.000 1.304 241 I HN 0.972 nan 8.210 nan 0.000 0.446 242 G N 5.272 114.056 108.800 -0.025 0.000 2.533 242 G HA2 0.841 4.801 3.960 -0.000 0.000 0.304 242 G HA3 0.841 4.801 3.960 -0.000 0.000 0.304 242 G C -1.154 173.690 174.900 -0.094 0.000 1.263 242 G CA -0.637 44.438 45.100 -0.041 0.000 0.964 242 G HN 0.432 nan 8.290 nan 0.000 0.479 243 M N 0.852 120.368 119.600 -0.139 0.000 2.501 243 M HA 0.352 4.832 4.480 -0.000 0.000 0.293 243 M C -1.901 174.272 176.300 -0.211 0.000 1.192 243 M CA -0.825 54.324 55.300 -0.250 0.000 0.886 243 M CB 3.112 35.506 32.600 -0.343 0.000 1.710 243 M HN 0.477 nan 8.290 nan 0.000 0.457 244 D N 1.560 121.831 120.400 -0.215 0.000 2.462 244 D HA 0.376 5.016 4.640 -0.000 0.000 0.245 244 D C 0.088 176.281 176.300 -0.179 0.000 1.122 244 D CA -0.387 53.519 54.000 -0.156 0.000 0.864 244 D CB 1.757 42.518 40.800 -0.065 0.000 1.098 244 D HN 0.345 nan 8.370 nan 0.000 0.541 245 V N 3.250 123.042 119.914 -0.203 0.000 2.488 245 V HA 0.028 4.148 4.120 -0.000 0.000 0.246 245 V C 1.516 177.569 176.094 -0.068 0.000 1.046 245 V CA 1.007 63.245 62.300 -0.103 0.000 1.053 245 V CB -1.072 30.651 31.823 -0.167 0.000 0.679 245 V HN 0.915 nan 8.190 nan 0.000 0.458 246 A N 0.104 122.820 122.820 -0.173 0.000 2.610 246 A HA -0.201 4.118 4.320 -0.000 0.000 0.299 246 A C 1.573 178.895 177.584 -0.436 0.000 1.487 246 A CA 0.908 52.824 52.037 -0.201 0.000 0.743 246 A CB -1.628 17.293 19.000 -0.132 0.000 1.070 246 A HN 1.079 nan 8.150 nan 0.000 0.439 247 A N -0.245 122.228 122.820 -0.580 0.000 2.070 247 A HA 0.084 4.403 4.320 -0.000 0.000 0.220 247 A C 2.292 179.459 177.584 -0.695 0.000 1.159 247 A CA 2.156 53.574 52.037 -1.031 0.000 0.656 247 A CB -0.560 18.062 19.000 -0.631 0.000 0.800 247 A HN 1.411 nan 8.150 nan 0.000 0.453 248 S N -0.084 115.394 115.700 -0.371 0.000 2.442 248 S HA -0.100 4.370 4.470 -0.000 0.000 0.236 248 S C 1.687 176.134 174.600 -0.254 0.000 1.007 248 S CA 1.066 59.124 58.200 -0.237 0.000 0.965 248 S CB -0.176 62.930 63.200 -0.156 0.000 0.773 248 S HN 0.597 nan 8.310 nan 0.000 0.504 249 E N 1.035 121.002 120.200 -0.388 0.000 2.152 249 E HA -0.050 4.299 4.350 -0.000 0.000 0.192 249 E C 1.088 177.347 176.600 -0.569 0.000 0.983 249 E CA 0.767 56.935 56.400 -0.387 0.000 0.818 249 E CB -0.120 29.386 29.700 -0.324 0.000 0.758 249 E HN 0.851 nan 8.360 nan 0.000 0.467 250 F N -1.958 117.701 119.950 -0.484 0.000 2.698 250 F HA 0.342 4.869 4.527 -0.000 0.000 0.304 250 F C 0.269 175.947 175.800 -0.205 0.000 1.108 250 F CA -1.241 56.448 58.000 -0.518 0.000 1.263 250 F CB -0.344 38.335 39.000 -0.536 0.000 1.013 250 F HN -0.290 nan 8.300 nan 0.000 0.532 251 F N 4.030 123.784 119.950 -0.327 0.000 2.538 251 F HA 0.436 4.963 4.527 -0.000 0.000 0.371 251 F C 0.235 175.792 175.800 -0.405 0.000 1.087 251 F CA -0.597 57.116 58.000 -0.479 0.000 1.250 251 F CB 0.556 39.322 39.000 -0.389 0.000 1.110 251 F HN -0.010 nan 8.300 nan 0.000 0.570 252 R N 4.663 124.543 120.500 -1.034 0.000 2.547 252 R HA 0.182 4.522 4.340 -0.000 0.000 0.280 252 R C -0.206 175.521 176.300 -0.955 0.000 1.630 252 R CA -0.174 55.384 56.100 -0.903 0.000 1.470 252 R CB 0.475 30.107 30.300 -1.113 0.000 1.178 252 R HN 0.834 nan 8.270 nan 0.000 0.591 253 S N 0.375 115.448 115.700 -1.045 0.000 3.549 253 S HA -0.244 4.226 4.470 -0.000 0.000 0.366 253 S C 1.101 175.328 174.600 -0.622 0.000 1.012 253 S CA 1.325 59.114 58.200 -0.685 0.000 1.141 253 S CB -1.096 61.930 63.200 -0.290 0.000 0.910 253 S HN 1.017 nan 8.310 nan 0.000 0.471 254 G N -0.582 107.568 108.800 -1.084 0.000 2.352 254 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.204 254 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.204 254 G C -0.057 174.694 174.900 -0.249 0.000 1.004 254 G CA 0.152 45.072 45.100 -0.300 0.000 0.648 254 G HN 0.630 nan 8.290 nan 0.000 0.491 255 K N -0.699 119.419 120.400 -0.471 0.000 2.288 255 K HA 0.736 5.056 4.320 -0.000 0.000 0.234 255 K C -1.214 175.060 176.600 -0.544 0.000 1.037 255 K CA -0.843 55.306 56.287 -0.230 0.000 0.914 255 K CB 1.326 33.818 32.500 -0.013 0.000 1.197 255 K HN 0.123 nan 8.250 nan 0.000 0.471 256 Y N -0.031 120.281 120.300 0.021 0.000 2.406 256 Y HA 0.143 4.693 4.550 -0.000 0.000 0.340 256 Y C -0.718 175.220 175.900 0.062 0.000 0.975 256 Y CA -0.943 57.242 58.100 0.143 0.000 1.056 256 Y CB 1.794 40.461 38.460 0.346 0.000 1.210 256 Y HN 0.474 nan 8.280 nan 0.000 0.448 257 D N 3.752 124.241 120.400 0.149 0.000 2.467 257 D HA 0.226 4.865 4.640 -0.000 0.000 0.220 257 D C 0.125 176.408 176.300 -0.028 0.000 1.103 257 D CA -0.026 54.041 54.000 0.112 0.000 0.886 257 D CB 0.715 41.576 40.800 0.103 0.000 1.025 257 D HN 0.648 nan 8.370 nan 0.000 0.514 258 L N 2.287 123.432 121.223 -0.131 0.000 2.675 258 L HA 0.096 4.436 4.340 -0.000 0.000 0.239 258 L C 0.706 177.537 176.870 -0.066 0.000 1.151 258 L CA 0.418 55.092 54.840 -0.277 0.000 0.905 258 L CB 0.045 41.973 42.059 -0.219 0.000 1.057 258 L HN 0.266 nan 8.230 nan 0.000 0.435 259 D N -0.957 119.473 120.400 0.049 0.000 2.865 259 D HA -0.001 4.639 4.640 -0.000 0.000 0.347 259 D C 1.176 177.523 176.300 0.078 0.000 1.498 259 D CA -0.461 53.555 54.000 0.027 0.000 0.787 259 D CB 0.161 40.977 40.800 0.026 0.000 1.190 259 D HN 0.194 nan 8.370 nan 0.000 0.445 260 F N 0.244 120.202 119.950 0.014 0.000 2.494 260 F HA 0.186 4.713 4.527 -0.000 0.000 0.298 260 F C 1.254 177.095 175.800 0.067 0.000 1.106 260 F CA 0.622 58.664 58.000 0.070 0.000 1.452 260 F CB -0.119 38.952 39.000 0.117 0.000 1.085 260 F HN -0.121 nan 8.300 nan 0.000 0.569 261 K N 0.379 120.481 120.400 -0.497 0.000 2.404 261 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 261 K C 0.120 176.630 176.600 -0.151 0.000 1.023 261 K CA -0.050 55.995 56.287 -0.403 0.000 1.094 261 K CB 0.203 32.391 32.500 -0.521 0.000 0.841 261 K HN 0.160 nan 8.250 nan 0.000 0.523 262 S N 1.416 117.070 115.700 -0.076 0.000 2.638 262 S HA 0.367 4.837 4.470 -0.000 0.000 0.298 262 S C -2.559 172.051 174.600 0.018 0.000 1.111 262 S CA -1.356 56.829 58.200 -0.026 0.000 1.027 262 S CB 1.483 64.673 63.200 -0.017 0.000 1.064 262 S HN -0.080 nan 8.310 nan 0.000 0.525 263 P HA -0.015 nan 4.420 nan 0.000 0.261 263 P C -0.583 176.748 177.300 0.051 0.000 1.173 263 P CA 0.143 63.263 63.100 0.033 0.000 0.760 263 P CB 0.112 31.823 31.700 0.018 0.000 0.783 264 D N 2.525 122.971 120.400 0.077 0.000 2.583 264 D HA 0.018 4.658 4.640 -0.000 0.000 0.232 264 D C -0.367 175.958 176.300 0.042 0.000 1.128 264 D CA 1.056 55.119 54.000 0.106 0.000 0.859 264 D CB 0.152 41.028 40.800 0.127 0.000 1.169 264 D HN 0.167 nan 8.370 nan 0.000 0.481 265 D N 3.420 123.824 120.400 0.008 0.000 2.354 265 D HA 0.196 4.836 4.640 -0.000 0.000 0.230 265 D C -2.312 173.767 176.300 -0.368 0.000 1.361 265 D CA -1.648 52.283 54.000 -0.115 0.000 0.992 265 D CB 1.659 42.419 40.800 -0.066 0.000 1.409 265 D HN 0.086 nan 8.370 nan 0.000 0.573 266 P HA -0.114 nan 4.420 nan 0.000 0.223 266 P C 1.303 178.185 177.300 -0.696 0.000 1.144 266 P CA 0.903 63.290 63.100 -1.188 0.000 0.783 266 P CB 0.178 31.514 31.700 -0.606 0.000 0.771 267 S N 0.533 116.023 115.700 -0.350 0.000 2.442 267 S HA -0.174 4.296 4.470 -0.000 0.000 0.236 267 S C 1.826 176.351 174.600 -0.125 0.000 1.007 267 S CA 0.605 58.694 58.200 -0.185 0.000 0.965 267 S CB -0.905 62.227 63.200 -0.113 0.000 0.773 267 S HN 0.316 nan 8.310 nan 0.000 0.504 268 R N -0.704 119.720 120.500 -0.126 0.000 2.312 268 R HA 0.160 4.499 4.340 -0.000 0.000 0.205 268 R C -0.448 175.930 176.300 0.130 0.000 0.904 268 R CA -0.442 55.661 56.100 0.004 0.000 1.052 268 R CB -0.339 29.980 30.300 0.032 0.000 1.014 268 R HN 0.323 nan 8.270 nan 0.000 0.503 269 Y N 2.746 123.058 120.300 0.019 0.000 2.597 269 Y HA 0.156 4.706 4.550 -0.000 0.000 0.336 269 Y C 1.111 177.039 175.900 0.045 0.000 1.216 269 Y CA -1.588 56.532 58.100 0.033 0.000 1.463 269 Y CB 0.218 38.682 38.460 0.008 0.000 1.303 269 Y HN 0.087 nan 8.280 nan 0.000 0.576 270 I N -0.613 120.104 120.570 0.245 0.000 2.797 270 I HA 0.721 4.891 4.170 -0.000 0.000 0.307 270 I C 0.044 176.295 176.117 0.224 0.000 1.033 270 I CA -1.153 60.251 61.300 0.173 0.000 1.071 270 I CB 2.147 40.209 38.000 0.103 0.000 1.255 270 I HN 0.487 nan 8.210 nan 0.000 0.445 271 S N 2.704 118.506 115.700 0.171 0.000 2.614 271 S HA 0.427 4.897 4.470 -0.000 0.000 0.265 271 S C -1.621 173.122 174.600 0.237 0.000 1.303 271 S CA -0.980 57.339 58.200 0.198 0.000 1.000 271 S CB 0.747 64.018 63.200 0.119 0.000 0.935 271 S HN 0.685 nan 8.310 nan 0.000 0.551 272 P HA -0.046 nan 4.420 nan 0.000 0.220 272 P C 0.489 177.847 177.300 0.097 0.000 1.148 272 P CA 0.981 64.213 63.100 0.220 0.000 0.803 272 P CB -0.041 31.744 31.700 0.143 0.000 0.782 273 D N 0.113 120.547 120.400 0.057 0.000 2.117 273 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 273 D C 2.237 178.539 176.300 0.004 0.000 0.982 273 D CA 1.091 55.110 54.000 0.031 0.000 0.828 273 D CB -0.438 40.380 40.800 0.030 0.000 0.967 273 D HN 0.272 nan 8.370 nan 0.000 0.464 274 Q N -0.237 119.563 119.800 -0.000 0.000 2.119 274 Q HA -0.110 4.229 4.340 -0.000 0.000 0.201 274 Q C 2.092 177.999 176.000 -0.155 0.000 0.972 274 Q CA 0.508 56.283 55.803 -0.047 0.000 0.847 274 Q CB -0.014 28.717 28.738 -0.011 0.000 0.903 274 Q HN 0.160 nan 8.270 nan 0.000 0.433 275 L N 0.475 121.587 121.223 -0.185 0.000 2.056 275 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 275 L C 2.095 178.476 176.870 -0.815 0.000 1.078 275 L CA 1.928 56.473 54.840 -0.491 0.000 0.749 275 L CB -0.814 40.964 42.059 -0.469 0.000 0.901 275 L HN 0.101 nan 8.230 nan 0.000 0.433 276 A N -0.810 121.807 122.820 -0.338 0.000 1.902 276 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 276 A C 1.975 179.498 177.584 -0.102 0.000 1.181 276 A CA 1.770 53.733 52.037 -0.124 0.000 0.623 276 A CB -0.797 18.359 19.000 0.260 0.000 0.818 276 A HN 0.507 nan 8.150 nan 0.000 0.443 277 D N -0.436 119.895 120.400 -0.115 0.000 2.149 277 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 277 D C 1.792 177.973 176.300 -0.199 0.000 0.990 277 D CA 1.253 55.200 54.000 -0.089 0.000 0.839 277 D CB -0.340 40.416 40.800 -0.073 0.000 0.948 277 D HN 0.374 nan 8.370 nan 0.000 0.460 278 L N 0.097 121.080 121.223 -0.400 0.000 2.027 278 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 278 L C 1.989 178.392 176.870 -0.778 0.000 1.074 278 L CA 1.521 55.998 54.840 -0.605 0.000 0.745 278 L CB -0.781 40.855 42.059 -0.706 0.000 0.898 278 L HN -0.035 nan 8.230 nan 0.000 0.433 279 Y N 0.422 120.417 120.300 -0.509 0.000 2.165 279 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 279 Y C 2.534 178.419 175.900 -0.025 0.000 1.155 279 Y CA 1.318 59.230 58.100 -0.313 0.000 1.164 279 Y CB -1.056 37.289 38.460 -0.191 0.000 0.978 279 Y HN 0.223 nan 8.280 nan 0.000 0.513 280 K N 0.093 120.600 120.400 0.179 0.000 2.103 280 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 280 K C 2.307 178.980 176.600 0.121 0.000 1.048 280 K CA 1.770 58.156 56.287 0.165 0.000 0.930 280 K CB -0.318 32.255 32.500 0.121 0.000 0.716 280 K HN 0.397 nan 8.250 nan 0.000 0.444 281 S N 0.294 116.024 115.700 0.051 0.000 2.406 281 S HA -0.065 4.405 4.470 -0.000 0.000 0.228 281 S C 1.921 176.709 174.600 0.315 0.000 1.020 281 S CA 0.589 58.856 58.200 0.113 0.000 0.965 281 S CB -0.611 62.625 63.200 0.059 0.000 0.798 281 S HN 0.255 nan 8.310 nan 0.000 0.488 282 F N 1.521 121.600 119.950 0.215 0.000 2.113 282 F HA 0.058 4.585 4.527 -0.000 0.000 0.297 282 F C 2.352 178.316 175.800 0.273 0.000 1.103 282 F CA 0.766 58.947 58.000 0.302 0.000 1.248 282 F CB -0.286 38.860 39.000 0.243 0.000 0.999 282 F HN 0.194 nan 8.300 nan 0.000 0.475 283 I N 0.208 121.022 120.570 0.407 0.000 2.361 283 I HA -0.282 3.887 4.170 -0.000 0.000 0.251 283 I C 2.121 178.348 176.117 0.182 0.000 1.133 283 I CA 1.371 62.827 61.300 0.259 0.000 1.413 283 I CB -0.401 37.719 38.000 0.201 0.000 1.073 283 I HN 0.124 nan 8.210 nan 0.000 0.424 284 K N 0.419 120.916 120.400 0.161 0.000 2.062 284 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 284 K C 1.275 177.893 176.600 0.030 0.000 1.051 284 K CA 1.170 57.507 56.287 0.084 0.000 0.941 284 K CB 0.005 32.544 32.500 0.066 0.000 0.719 284 K HN 0.246 nan 8.250 nan 0.000 0.440 285 D N -1.121 119.283 120.400 0.006 0.000 2.354 285 D HA 0.033 4.673 4.640 -0.000 0.000 0.209 285 D C -0.226 175.764 176.300 -0.517 0.000 1.015 285 D CA 0.741 54.570 54.000 -0.286 0.000 0.867 285 D CB 0.337 40.865 40.800 -0.453 0.000 0.933 285 D HN 0.067 nan 8.370 nan 0.000 0.520 286 Y N -0.829 119.529 120.300 0.096 0.000 2.588 286 Y HA 0.311 4.861 4.550 -0.000 0.000 0.343 286 Y C -2.053 173.889 175.900 0.070 0.000 1.065 286 Y CA -2.384 55.757 58.100 0.070 0.000 1.038 286 Y CB 1.597 40.087 38.460 0.050 0.000 1.297 286 Y HN -0.299 nan 8.280 nan 0.000 0.467 287 P HA 0.080 nan 4.420 nan 0.000 0.225 287 P C -0.643 176.736 177.300 0.130 0.000 1.768 287 P CA 0.271 63.458 63.100 0.145 0.000 0.943 287 P CB -0.291 31.477 31.700 0.113 0.000 1.936 288 V N 2.358 122.365 119.914 0.154 0.000 2.427 288 V HA 0.010 4.129 4.120 -0.000 0.000 0.268 288 V C 1.791 177.950 176.094 0.108 0.000 1.046 288 V CA 0.196 62.566 62.300 0.116 0.000 0.970 288 V CB 1.282 33.194 31.823 0.147 0.000 1.001 288 V HN 0.220 nan 8.190 nan 0.000 0.476 289 V N 1.764 121.734 119.914 0.093 0.000 3.528 289 V HA 0.460 4.579 4.120 -0.000 0.000 0.294 289 V C 0.522 176.684 176.094 0.114 0.000 1.404 289 V CA 0.349 62.721 62.300 0.121 0.000 1.065 289 V CB 0.645 32.583 31.823 0.192 0.000 0.904 289 V HN 0.663 nan 8.190 nan 0.000 0.435 290 S N 0.136 115.879 115.700 0.072 0.000 2.566 290 S HA 0.787 5.256 4.470 -0.000 0.000 0.273 290 S C -1.281 173.303 174.600 -0.026 0.000 1.157 290 S CA -0.516 57.710 58.200 0.044 0.000 0.938 290 S CB 1.648 64.896 63.200 0.080 0.000 1.087 290 S HN 0.346 nan 8.310 nan 0.000 0.474 291 I N 3.396 123.927 120.570 -0.065 0.000 2.478 291 I HA 0.434 4.603 4.170 -0.000 0.000 0.287 291 I C -0.269 175.729 176.117 -0.198 0.000 1.042 291 I CA -0.537 60.648 61.300 -0.192 0.000 1.067 291 I CB 2.001 39.805 38.000 -0.327 0.000 1.233 291 I HN 0.630 nan 8.210 nan 0.000 0.431 292 E N 5.622 125.702 120.200 -0.199 0.000 2.204 292 E HA 0.165 4.515 4.350 -0.000 0.000 0.276 292 E C -0.787 175.685 176.600 -0.213 0.000 0.974 292 E CA -0.455 55.870 56.400 -0.125 0.000 0.815 292 E CB 0.997 30.663 29.700 -0.056 0.000 1.119 292 E HN 0.520 nan 8.360 nan 0.000 0.393 293 D N 4.090 124.441 120.400 -0.082 0.000 2.740 293 D HA -0.149 4.490 4.640 -0.000 0.000 0.231 293 D C -1.786 174.149 176.300 -0.608 0.000 1.194 293 D CA 0.428 54.340 54.000 -0.147 0.000 0.673 293 D CB -0.433 40.347 40.800 -0.032 0.000 0.995 293 D HN 0.468 nan 8.370 nan 0.000 0.411 294 P HA -0.117 nan 4.420 nan 0.000 0.222 294 P C 0.361 176.664 177.300 -1.662 0.000 1.147 294 P CA 1.094 63.328 63.100 -1.443 0.000 0.790 294 P CB 0.265 30.878 31.700 -1.811 0.000 0.780 295 F N -1.112 118.246 119.950 -0.987 0.000 2.706 295 F HA 0.374 4.901 4.527 -0.000 0.000 0.328 295 F C 0.514 176.221 175.800 -0.155 0.000 1.123 295 F CA -1.397 56.223 58.000 -0.632 0.000 0.978 295 F CB -0.175 38.422 39.000 -0.673 0.000 1.404 295 F HN -0.372 nan 8.300 nan 0.000 0.497 296 D N 0.724 121.264 120.400 0.233 0.000 2.449 296 D HA 0.022 4.662 4.640 -0.000 0.000 0.236 296 D C 1.154 177.467 176.300 0.022 0.000 1.149 296 D CA 0.222 54.152 54.000 -0.116 0.000 0.878 296 D CB 0.837 41.035 40.800 -1.004 0.000 1.198 296 D HN 0.607 nan 8.370 nan 0.000 0.446 297 Q N 1.604 121.344 119.800 -0.100 0.000 2.376 297 Q HA -0.213 4.127 4.340 -0.000 0.000 0.211 297 Q C -0.172 175.628 176.000 -0.335 0.000 0.986 297 Q CA 1.360 57.070 55.803 -0.155 0.000 0.886 297 Q CB 0.102 28.815 28.738 -0.041 0.000 0.927 297 Q HN 0.497 nan 8.270 nan 0.000 0.457 298 D N 0.294 120.529 120.400 -0.275 0.000 2.582 298 D HA 0.050 4.690 4.640 -0.000 0.000 0.246 298 D C -0.689 175.542 176.300 -0.115 0.000 1.334 298 D CA -0.054 53.814 54.000 -0.220 0.000 0.805 298 D CB 0.365 41.253 40.800 0.147 0.000 1.087 298 D HN 0.141 nan 8.370 nan 0.000 0.499 299 D N -0.026 120.294 120.400 -0.133 0.000 2.896 299 D HA 0.023 4.663 4.640 -0.000 0.000 0.240 299 D C 0.990 177.414 176.300 0.205 0.000 1.193 299 D CA -0.522 53.524 54.000 0.076 0.000 0.983 299 D CB -0.309 40.562 40.800 0.119 0.000 1.074 299 D HN 0.092 nan 8.370 nan 0.000 0.496 300 W N 1.270 122.647 121.300 0.127 0.000 2.325 300 W HA -0.097 4.563 4.660 -0.000 0.000 0.299 300 W C 2.473 179.069 176.519 0.129 0.000 1.215 300 W CA 1.229 58.632 57.345 0.098 0.000 1.244 300 W CB -0.501 28.959 29.460 0.001 0.000 1.140 300 W HN 0.349 nan 8.180 nan 0.000 0.523 301 G N 0.083 109.055 108.800 0.287 0.000 2.421 301 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.216 301 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.216 301 G C 1.683 176.617 174.900 0.057 0.000 1.171 301 G CA 1.605 46.801 45.100 0.159 0.000 0.775 301 G HN 0.336 nan 8.290 nan 0.000 0.543 302 A N 0.114 122.884 122.820 -0.083 0.000 1.902 302 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 302 A C 2.165 179.478 177.584 -0.451 0.000 1.181 302 A CA 1.550 53.274 52.037 -0.522 0.000 0.623 302 A CB -0.684 17.639 19.000 -1.129 0.000 0.818 302 A HN 0.493 nan 8.150 nan 0.000 0.443 303 W N -0.272 120.889 121.300 -0.232 0.000 2.332 303 W HA -0.196 4.463 4.660 -0.000 0.000 0.321 303 W C 2.697 179.285 176.519 0.114 0.000 1.219 303 W CA 1.829 59.207 57.345 0.056 0.000 1.277 303 W CB -0.691 28.789 29.460 0.034 0.000 1.161 303 W HN 0.507 nan 8.180 nan 0.000 0.476 304 Q N 0.963 120.972 119.800 0.349 0.000 2.045 304 Q HA -0.316 4.024 4.340 -0.000 0.000 0.206 304 Q C 2.304 178.402 176.000 0.165 0.000 0.991 304 Q CA 2.357 58.304 55.803 0.240 0.000 0.851 304 Q CB -0.423 28.435 28.738 0.199 0.000 0.911 304 Q HN 0.260 nan 8.270 nan 0.000 0.418 305 K N -0.669 119.804 120.400 0.122 0.000 2.063 305 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 305 K C 1.925 178.600 176.600 0.126 0.000 1.048 305 K CA 1.483 57.822 56.287 0.086 0.000 0.928 305 K CB -0.298 32.225 32.500 0.038 0.000 0.713 305 K HN 0.253 nan 8.250 nan 0.000 0.442 306 F N 1.403 121.369 119.950 0.027 0.000 2.128 306 F HA -0.116 4.411 4.527 -0.000 0.000 0.295 306 F C 2.074 177.924 175.800 0.084 0.000 1.100 306 F CA 1.693 59.748 58.000 0.093 0.000 1.260 306 F CB -0.587 38.559 39.000 0.242 0.000 1.009 306 F HN -0.046 nan 8.300 nan 0.000 0.476 307 T N 0.685 115.304 114.554 0.108 0.000 2.788 307 T HA -0.159 4.190 4.350 -0.000 0.000 0.268 307 T C 2.193 176.842 174.700 -0.085 0.000 1.044 307 T CA 1.301 63.387 62.100 -0.024 0.000 1.139 307 T CB -0.789 68.153 68.868 0.123 0.000 0.867 307 T HN 0.360 nan 8.240 nan 0.000 0.454 308 A N 1.591 124.398 122.820 -0.021 0.000 1.972 308 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 308 A C 2.382 179.925 177.584 -0.069 0.000 1.169 308 A CA 1.954 53.977 52.037 -0.023 0.000 0.635 308 A CB -0.487 18.521 19.000 0.014 0.000 0.810 308 A HN 0.597 nan 8.150 nan 0.000 0.446 309 S N -1.913 113.713 115.700 -0.124 0.000 2.539 309 S HA 0.549 5.019 4.470 -0.000 0.000 0.221 309 S C 1.613 176.082 174.600 -0.218 0.000 0.987 309 S CA 0.643 58.764 58.200 -0.132 0.000 0.929 309 S CB 0.188 63.336 63.200 -0.086 0.000 0.832 309 S HN 0.679 nan 8.310 nan 0.000 0.492 310 A N 2.002 124.606 122.820 -0.360 0.000 1.872 310 A HA 0.478 4.798 4.320 -0.000 0.000 0.214 310 A C 2.147 179.606 177.584 -0.209 0.000 1.187 310 A CA 1.289 53.065 52.037 -0.434 0.000 0.614 310 A CB -1.424 17.134 19.000 -0.736 0.000 0.826 310 A HN 1.551 nan 8.150 nan 0.000 0.442 311 G N -1.187 107.526 108.800 -0.146 0.000 2.199 311 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.254 311 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.254 311 G C 0.420 175.285 174.900 -0.058 0.000 0.982 311 G CA 0.780 45.833 45.100 -0.080 0.000 0.632 311 G HN 1.449 nan 8.290 nan 0.000 0.529 312 I N -2.879 117.649 120.570 -0.071 0.000 3.522 312 I HA 0.807 4.977 4.170 -0.000 0.000 0.292 312 I C 0.181 176.276 176.117 -0.038 0.000 1.147 312 I CA -1.395 59.889 61.300 -0.026 0.000 1.032 312 I CB 1.259 39.268 38.000 0.015 0.000 1.337 312 I HN 0.080 nan 8.210 nan 0.000 0.496 313 Q N 1.406 121.201 119.800 -0.008 0.000 2.286 313 Q HA 0.480 4.819 4.340 -0.000 0.000 0.257 313 Q C -1.636 174.354 176.000 -0.017 0.000 0.941 313 Q CA -0.505 55.280 55.803 -0.030 0.000 0.912 313 Q CB 1.357 30.097 28.738 0.004 0.000 1.192 313 Q HN 0.593 nan 8.270 nan 0.000 0.410 314 V N 5.170 125.058 119.914 -0.045 0.000 2.407 314 V HA 0.329 4.449 4.120 -0.000 0.000 0.291 314 V C -0.555 175.522 176.094 -0.028 0.000 1.018 314 V CA -0.817 61.488 62.300 0.007 0.000 0.842 314 V CB 1.636 33.514 31.823 0.091 0.000 0.996 314 V HN 0.636 nan 8.190 nan 0.000 0.426 315 V N 3.682 123.604 119.914 0.013 0.000 2.394 315 V HA 0.674 4.794 4.120 -0.000 0.000 0.282 315 V C 0.894 177.071 176.094 0.139 0.000 1.031 315 V CA -0.344 61.965 62.300 0.016 0.000 0.881 315 V CB 1.627 33.459 31.823 0.015 0.000 0.982 315 V HN 0.920 nan 8.190 nan 0.000 0.451 316 G N 1.957 110.775 108.800 0.029 0.000 2.338 316 G HA2 0.461 4.421 3.960 -0.000 0.000 0.298 316 G HA3 0.461 4.421 3.960 -0.000 0.000 0.298 316 G C -0.143 174.776 174.900 0.032 0.000 1.140 316 G CA -0.025 45.063 45.100 -0.020 0.000 0.860 316 G HN 0.776 nan 8.290 nan 0.000 0.470 317 D N 0.386 120.814 120.400 0.047 0.000 3.106 317 D HA -0.011 4.629 4.640 -0.000 0.000 0.216 317 D C 1.344 177.655 176.300 0.017 0.000 1.540 317 D CA 0.086 54.113 54.000 0.045 0.000 1.389 317 D CB 0.124 40.959 40.800 0.057 0.000 1.080 317 D HN 0.172 nan 8.370 nan 0.000 0.270 318 D N 0.301 120.712 120.400 0.018 0.000 2.264 318 D HA -0.066 4.573 4.640 -0.000 0.000 0.208 318 D C 2.030 178.304 176.300 -0.043 0.000 0.966 318 D CA 0.264 54.268 54.000 0.007 0.000 0.864 318 D CB 0.043 40.842 40.800 -0.001 0.000 0.933 318 D HN 0.191 nan 8.370 nan 0.000 0.499 319 L N 0.724 121.837 121.223 -0.184 0.000 2.056 319 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 319 L C 2.135 178.831 176.870 -0.290 0.000 1.078 319 L CA 1.947 56.494 54.840 -0.489 0.000 0.749 319 L CB -0.665 40.720 42.059 -1.122 0.000 0.901 319 L HN 0.070 nan 8.230 nan 0.000 0.433 320 T N -3.856 110.611 114.554 -0.144 0.000 3.014 320 T HA 0.110 4.460 4.350 -0.000 0.000 0.250 320 T C 0.978 175.691 174.700 0.023 0.000 1.060 320 T CA 0.380 62.470 62.100 -0.016 0.000 1.040 320 T CB -0.692 68.222 68.868 0.077 0.000 0.971 320 T HN 0.572 nan 8.240 nan 0.000 0.497 321 V N 0.725 120.658 119.914 0.032 0.000 5.176 321 V HA -0.274 3.845 4.120 -0.000 0.000 0.252 321 V C 0.493 176.615 176.094 0.046 0.000 0.665 321 V CA 0.834 63.165 62.300 0.053 0.000 0.654 321 V CB -3.518 28.358 31.823 0.089 0.000 0.440 321 V HN 0.722 nan 8.190 nan 0.000 0.806 322 T N -1.143 113.440 114.554 0.048 0.000 3.830 322 T HA -0.280 4.070 4.350 -0.000 0.000 0.351 322 T C 0.303 175.016 174.700 0.022 0.000 0.758 322 T CA 1.604 63.729 62.100 0.042 0.000 1.857 322 T CB -1.534 67.359 68.868 0.042 0.000 1.864 322 T HN 1.277 nan 8.240 nan 0.000 0.772 323 N N 0.649 119.358 118.700 0.016 0.000 2.446 323 N HA 0.293 5.033 4.740 -0.000 0.000 0.265 323 N C -1.829 173.665 175.510 -0.027 0.000 0.975 323 N CA -2.345 50.704 53.050 -0.003 0.000 0.928 323 N CB 2.113 40.602 38.487 0.004 0.000 1.160 323 N HN -0.096 nan 8.380 nan 0.000 0.495 324 P HA -0.178 nan 4.420 nan 0.000 0.218 324 P C 0.717 177.970 177.300 -0.079 0.000 1.154 324 P CA 1.811 64.870 63.100 -0.070 0.000 0.872 324 P CB 0.447 32.109 31.700 -0.064 0.000 0.790 325 K N -0.974 119.387 120.400 -0.066 0.000 2.057 325 K HA -0.067 4.253 4.320 -0.000 0.000 0.206 325 K C 2.227 178.782 176.600 -0.076 0.000 1.050 325 K CA 1.025 57.266 56.287 -0.077 0.000 0.935 325 K CB -0.194 32.262 32.500 -0.073 0.000 0.715 325 K HN 0.044 nan 8.250 nan 0.000 0.439 326 R N 0.767 121.237 120.500 -0.049 0.000 2.090 326 R HA 0.008 4.347 4.340 -0.000 0.000 0.228 326 R C 2.309 178.645 176.300 0.060 0.000 1.110 326 R CA 0.995 57.099 56.100 0.007 0.000 0.973 326 R CB -0.514 29.786 30.300 0.001 0.000 0.869 326 R HN 0.255 nan 8.270 nan 0.000 0.440 327 I N 1.017 121.584 120.570 -0.004 0.000 2.179 327 I HA -0.269 3.900 4.170 -0.000 0.000 0.242 327 I C 2.627 178.661 176.117 -0.139 0.000 1.088 327 I CA 1.430 62.693 61.300 -0.062 0.000 1.357 327 I CB -0.533 37.362 38.000 -0.175 0.000 1.051 327 I HN 0.095 nan 8.210 nan 0.000 0.409 328 A N 0.683 123.416 122.820 -0.146 0.000 1.908 328 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 328 A C 2.399 179.919 177.584 -0.106 0.000 1.181 328 A CA 2.167 54.114 52.037 -0.151 0.000 0.627 328 A CB -0.604 18.317 19.000 -0.131 0.000 0.818 328 A HN 0.398 nan 8.150 nan 0.000 0.445 329 K N -0.469 119.872 120.400 -0.099 0.000 2.097 329 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 329 K C 2.117 178.696 176.600 -0.035 0.000 1.050 329 K CA 1.144 57.329 56.287 -0.170 0.000 0.938 329 K CB -0.309 31.972 32.500 -0.364 0.000 0.718 329 K HN 0.370 nan 8.250 nan 0.000 0.442 330 A N 0.973 123.913 122.820 0.200 0.000 1.930 330 A HA -0.101 4.218 4.320 -0.000 0.000 0.217 330 A C 2.220 180.066 177.584 0.435 0.000 1.175 330 A CA 1.628 53.941 52.037 0.460 0.000 0.627 330 A CB -0.756 18.593 19.000 0.583 0.000 0.815 330 A HN 0.293 nan 8.150 nan 0.000 0.443 331 V N -1.287 118.767 119.914 0.234 0.000 2.295 331 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 331 V C 1.891 178.066 176.094 0.134 0.000 1.049 331 V CA 2.247 64.649 62.300 0.171 0.000 1.024 331 V CB -1.193 30.502 31.823 -0.212 0.000 0.648 331 V HN 0.496 nan 8.190 nan 0.000 0.447 332 N N 0.803 119.527 118.700 0.040 0.000 2.166 332 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 332 N C 1.849 177.386 175.510 0.044 0.000 1.019 332 N CA 2.022 55.080 53.050 0.013 0.000 0.856 332 N CB -0.254 38.205 38.487 -0.047 0.000 0.993 332 N HN 0.699 nan 8.380 nan 0.000 0.426 333 E N 0.783 121.027 120.200 0.072 0.000 2.478 333 E HA 0.039 4.389 4.350 -0.000 0.000 0.194 333 E C -0.226 176.473 176.600 0.165 0.000 1.045 333 E CA 0.002 56.462 56.400 0.100 0.000 0.868 333 E CB 0.179 29.944 29.700 0.108 0.000 0.885 333 E HN 0.234 nan 8.360 nan 0.000 0.505 334 K N 0.246 120.770 120.400 0.206 0.000 3.096 334 K HA -0.176 4.143 4.320 -0.000 0.000 0.266 334 K C 0.724 177.453 176.600 0.214 0.000 1.043 334 K CA 0.281 56.697 56.287 0.213 0.000 0.758 334 K CB -1.682 30.904 32.500 0.144 0.000 1.260 334 K HN 0.031 nan 8.250 nan 0.000 0.481 335 S N -0.891 114.972 115.700 0.271 0.000 2.402 335 S HA -0.082 4.388 4.470 -0.000 0.000 0.229 335 S C 1.180 175.934 174.600 0.257 0.000 1.021 335 S CA 0.944 59.313 58.200 0.282 0.000 0.974 335 S CB -0.404 62.928 63.200 0.219 0.000 0.800 335 S HN 0.710 nan 8.310 nan 0.000 0.484 336 C N 0.457 119.770 119.300 0.022 0.000 3.293 336 C HA 0.593 5.053 4.460 -0.000 0.000 0.362 336 C C -0.275 174.322 174.990 -0.655 0.000 1.539 336 C CA -0.803 58.109 59.018 -0.176 0.000 1.201 336 C CB 0.980 28.602 27.740 -0.197 0.000 1.770 336 C HN 0.496 nan 8.230 nan 0.000 0.440 337 N N -1.144 117.099 118.700 -0.760 0.000 2.232 337 N HA 0.343 5.083 4.740 -0.000 0.000 0.240 337 N C -0.601 174.438 175.510 -0.785 0.000 1.307 337 N CA -0.023 52.465 53.050 -0.938 0.000 0.859 337 N CB 1.090 39.367 38.487 -0.350 0.000 1.260 337 N HN 0.879 nan 8.380 nan 0.000 0.501 338 C N 1.163 120.004 119.300 -0.765 0.000 2.891 338 C HA 0.591 5.051 4.460 -0.000 0.000 0.342 338 C C -1.431 173.493 174.990 -0.110 0.000 1.126 338 C CA -0.861 58.013 59.018 -0.239 0.000 1.322 338 C CB 1.193 28.871 27.740 -0.104 0.000 1.763 338 C HN 0.415 nan 8.230 nan 0.000 0.491 339 L N 5.400 126.756 121.223 0.222 0.000 2.282 339 L HA 0.742 5.081 4.340 -0.000 0.000 0.288 339 L C -0.707 176.252 176.870 0.147 0.000 1.033 339 L CA -0.179 54.827 54.840 0.277 0.000 0.807 339 L CB 1.313 43.607 42.059 0.392 0.000 1.209 339 L HN 0.724 nan 8.230 nan 0.000 0.423 340 L N 5.494 126.784 121.223 0.112 0.000 2.281 340 L HA 0.421 4.761 4.340 -0.000 0.000 0.285 340 L C -0.847 176.078 176.870 0.091 0.000 1.074 340 L CA 0.011 54.904 54.840 0.089 0.000 0.817 340 L CB 1.049 43.155 42.059 0.078 0.000 1.168 340 L HN 0.711 nan 8.230 nan 0.000 0.434 341 L N 6.241 127.515 121.223 0.085 0.000 2.259 341 L HA 0.413 4.753 4.340 -0.000 0.000 0.288 341 L C -0.610 176.306 176.870 0.078 0.000 1.051 341 L CA 0.159 55.045 54.840 0.078 0.000 0.824 341 L CB 0.148 42.251 42.059 0.073 0.000 1.206 341 L HN 0.544 nan 8.230 nan 0.000 0.429 342 K N 4.081 124.523 120.400 0.070 0.000 2.507 342 K HA 0.226 4.546 4.320 -0.000 0.000 0.253 342 K C 1.078 177.708 176.600 0.049 0.000 0.969 342 K CA -0.363 55.964 56.287 0.067 0.000 0.908 342 K CB 1.747 34.284 32.500 0.061 0.000 1.127 342 K HN 0.544 nan 8.250 nan 0.000 0.437 343 V N 0.311 120.255 119.914 0.050 0.000 2.453 343 V HA -0.311 3.809 4.120 -0.000 0.000 0.252 343 V C 1.583 177.676 176.094 -0.002 0.000 1.068 343 V CA 2.067 64.380 62.300 0.022 0.000 1.070 343 V CB -0.566 31.257 31.823 0.001 0.000 0.664 343 V HN 0.875 nan 8.190 nan 0.000 0.461 344 N N 0.076 118.776 118.700 0.000 0.000 2.461 344 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 344 N C 1.636 177.149 175.510 0.005 0.000 1.134 344 N CA 0.894 53.939 53.050 -0.008 0.000 0.878 344 N CB -0.102 38.376 38.487 -0.015 0.000 0.972 344 N HN 0.711 nan 8.380 nan 0.000 0.456 345 Q N -0.344 119.466 119.800 0.016 0.000 2.331 345 Q HA 0.098 4.438 4.340 -0.000 0.000 0.203 345 Q C 1.110 177.124 176.000 0.023 0.000 0.944 345 Q CA 0.626 56.443 55.803 0.025 0.000 0.892 345 Q CB 0.324 29.084 28.738 0.036 0.000 0.983 345 Q HN 0.342 nan 8.270 nan 0.000 0.482 346 I N -2.155 118.424 120.570 0.015 0.000 4.244 346 I HA 0.230 4.400 4.170 -0.000 0.000 0.318 346 I C 1.006 177.123 176.117 -0.000 0.000 1.282 346 I CA 1.173 62.479 61.300 0.009 0.000 1.276 346 I CB 1.114 39.118 38.000 0.007 0.000 1.183 346 I HN 0.161 nan 8.210 nan 0.000 0.431 347 G N 0.639 109.435 108.800 -0.007 0.000 2.179 347 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.220 347 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.220 347 G C 0.320 175.205 174.900 -0.025 0.000 0.990 347 G CA 0.295 45.386 45.100 -0.014 0.000 0.646 347 G HN 0.967 nan 8.290 nan 0.000 0.517 348 S N -1.647 114.036 115.700 -0.028 0.000 2.570 348 S HA 0.691 5.161 4.470 -0.000 0.000 0.270 348 S C 0.782 175.359 174.600 -0.038 0.000 1.149 348 S CA 0.131 58.308 58.200 -0.038 0.000 0.837 348 S CB 1.944 65.131 63.200 -0.022 0.000 1.124 348 S HN 0.802 nan 8.310 nan 0.000 0.465 349 V N 1.798 121.681 119.914 -0.052 0.000 2.295 349 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 349 V C 2.723 178.819 176.094 0.003 0.000 1.049 349 V CA 2.708 64.996 62.300 -0.020 0.000 1.024 349 V CB -1.323 30.491 31.823 -0.015 0.000 0.648 349 V HN 1.043 nan 8.190 nan 0.000 0.447 350 T N -0.311 114.237 114.554 -0.009 0.000 2.684 350 T HA -0.235 4.115 4.350 -0.000 0.000 0.267 350 T C 1.797 176.489 174.700 -0.012 0.000 1.036 350 T CA 1.879 63.972 62.100 -0.012 0.000 1.148 350 T CB -0.268 68.591 68.868 -0.015 0.000 0.863 350 T HN 0.599 nan 8.240 nan 0.000 0.436 351 E N 0.772 120.965 120.200 -0.012 0.000 2.106 351 E HA -0.064 4.285 4.350 -0.000 0.000 0.192 351 E C 2.592 179.188 176.600 -0.007 0.000 0.984 351 E CA 1.045 57.437 56.400 -0.013 0.000 0.806 351 E CB -0.094 29.598 29.700 -0.013 0.000 0.750 351 E HN 0.317 nan 8.360 nan 0.000 0.458 352 S N 0.996 116.699 115.700 0.004 0.000 2.368 352 S HA -0.105 4.365 4.470 -0.000 0.000 0.225 352 S C 1.981 176.591 174.600 0.018 0.000 1.030 352 S CA 0.790 59.002 58.200 0.020 0.000 0.999 352 S CB -0.136 63.089 63.200 0.041 0.000 0.844 352 S HN 0.214 nan 8.310 nan 0.000 0.459 353 L N 1.238 122.469 121.223 0.013 0.000 2.093 353 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 353 L C 2.626 179.487 176.870 -0.015 0.000 1.085 353 L CA 1.159 56.001 54.840 0.002 0.000 0.755 353 L CB -0.697 41.358 42.059 -0.006 0.000 0.904 353 L HN 0.407 nan 8.230 nan 0.000 0.435 354 Q N -0.032 119.755 119.800 -0.021 0.000 2.119 354 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 354 Q C 2.462 178.436 176.000 -0.044 0.000 0.972 354 Q CA 1.413 57.195 55.803 -0.035 0.000 0.847 354 Q CB -0.185 28.531 28.738 -0.036 0.000 0.903 354 Q HN 0.530 nan 8.270 nan 0.000 0.433 355 A N 0.565 123.366 122.820 -0.032 0.000 1.902 355 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 355 A C 2.314 179.875 177.584 -0.037 0.000 1.181 355 A CA 1.333 53.348 52.037 -0.038 0.000 0.623 355 A CB -1.165 17.829 19.000 -0.010 0.000 0.818 355 A HN 0.558 nan 8.150 nan 0.000 0.443 356 C N -0.229 119.064 119.300 -0.012 0.000 2.432 356 C HA -0.068 4.392 4.460 -0.000 0.000 0.277 356 C C 2.655 177.630 174.990 -0.025 0.000 1.249 356 C CA 1.565 60.583 59.018 -0.000 0.000 1.725 356 C CB -0.890 26.857 27.740 0.012 0.000 2.028 356 C HN 0.514 nan 8.230 nan 0.000 0.477 357 K N 0.628 121.005 120.400 -0.037 0.000 2.148 357 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 357 K C 1.776 178.327 176.600 -0.082 0.000 1.050 357 K CA 0.918 57.175 56.287 -0.049 0.000 0.942 357 K CB -0.968 31.505 32.500 -0.045 0.000 0.724 357 K HN 0.544 nan 8.250 nan 0.000 0.446 358 L N 1.130 122.288 121.223 -0.108 0.000 2.056 358 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 358 L C 2.185 178.902 176.870 -0.256 0.000 1.078 358 L CA 1.870 56.609 54.840 -0.168 0.000 0.749 358 L CB -0.822 41.130 42.059 -0.178 0.000 0.901 358 L HN 0.128 nan 8.230 nan 0.000 0.433 359 A N -1.013 121.659 122.820 -0.248 0.000 1.877 359 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 359 A C 2.206 179.706 177.584 -0.141 0.000 1.186 359 A CA 1.867 53.716 52.037 -0.314 0.000 0.620 359 A CB -0.653 18.334 19.000 -0.022 0.000 0.822 359 A HN 0.647 nan 8.150 nan 0.000 0.443 360 Q N -0.749 119.022 119.800 -0.048 0.000 2.084 360 Q HA -0.103 4.236 4.340 -0.000 0.000 0.202 360 Q C 2.354 178.331 176.000 -0.039 0.000 0.978 360 Q CA 1.354 57.151 55.803 -0.010 0.000 0.844 360 Q CB -0.401 28.333 28.738 -0.006 0.000 0.898 360 Q HN 0.680 nan 8.270 nan 0.000 0.426 361 A N 1.209 123.983 122.820 -0.076 0.000 2.076 361 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 361 A C 1.482 179.017 177.584 -0.082 0.000 1.160 361 A CA 1.155 53.148 52.037 -0.073 0.000 0.653 361 A CB -0.195 18.755 19.000 -0.085 0.000 0.801 361 A HN 0.290 nan 8.150 nan 0.000 0.455 362 N N -0.947 117.674 118.700 -0.131 0.000 2.268 362 N HA 0.164 4.904 4.740 -0.000 0.000 0.204 362 N C 1.034 176.550 175.510 0.011 0.000 1.124 362 N CA 0.837 53.810 53.050 -0.127 0.000 0.838 362 N CB 0.538 38.828 38.487 -0.328 0.000 0.994 362 N HN 0.584 nan 8.380 nan 0.000 0.489 363 G N 0.365 109.191 108.800 0.043 0.000 2.162 363 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.260 363 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.260 363 G C -0.219 174.821 174.900 0.233 0.000 0.976 363 G CA -0.089 45.077 45.100 0.110 0.000 0.655 363 G HN 0.224 nan 8.290 nan 0.000 0.533 364 W N 0.602 121.890 121.300 -0.021 0.000 2.161 364 W HA 0.621 5.281 4.660 -0.000 0.000 0.344 364 W C 1.079 177.580 176.519 -0.029 0.000 1.262 364 W CA -0.014 57.321 57.345 -0.018 0.000 1.270 364 W CB 0.398 29.854 29.460 -0.006 0.000 1.126 364 W HN 0.412 nan 8.180 nan 0.000 0.598 365 G N 0.078 108.983 108.800 0.174 0.000 2.547 365 G HA2 0.558 4.518 3.960 -0.000 0.000 0.291 365 G HA3 0.558 4.518 3.960 -0.000 0.000 0.291 365 G C -1.599 173.382 174.900 0.136 0.000 1.211 365 G CA -0.596 44.550 45.100 0.076 0.000 0.950 365 G HN 0.276 nan 8.290 nan 0.000 0.504 366 V N 0.791 120.761 119.914 0.092 0.000 2.668 366 V HA 0.456 4.576 4.120 -0.000 0.000 0.304 366 V C -0.351 175.788 176.094 0.075 0.000 1.071 366 V CA -0.530 61.832 62.300 0.104 0.000 0.894 366 V CB 1.809 33.687 31.823 0.090 0.000 1.008 366 V HN 0.829 nan 8.190 nan 0.000 0.425 367 M N 5.477 125.123 119.600 0.077 0.000 2.078 367 M HA 0.594 5.074 4.480 -0.000 0.000 0.320 367 M C -1.115 175.217 176.300 0.055 0.000 0.969 367 M CA -0.454 54.883 55.300 0.062 0.000 0.929 367 M CB 1.441 34.079 32.600 0.064 0.000 1.504 367 M HN 0.481 nan 8.290 nan 0.000 0.419 368 V N 3.584 123.520 119.914 0.038 0.000 2.811 368 V HA 0.362 4.482 4.120 -0.000 0.000 0.302 368 V C 0.198 176.310 176.094 0.031 0.000 1.063 368 V CA 0.066 62.388 62.300 0.036 0.000 1.088 368 V CB 1.347 33.180 31.823 0.016 0.000 0.982 368 V HN 0.922 nan 8.190 nan 0.000 0.485 369 S N 2.129 117.868 115.700 0.064 0.000 2.588 369 S HA 0.574 5.044 4.470 -0.000 0.000 0.275 369 S C -0.597 174.109 174.600 0.178 0.000 1.130 369 S CA -0.803 57.461 58.200 0.108 0.000 0.855 369 S CB 1.380 64.675 63.200 0.159 0.000 1.116 369 S HN 0.983 nan 8.310 nan 0.000 0.472 370 H N 1.179 120.254 119.070 0.008 0.000 2.523 370 H HA 0.774 5.330 4.556 -0.000 0.000 0.317 370 H C -0.219 175.117 175.328 0.013 0.000 1.511 370 H CA -1.238 54.810 56.048 0.001 0.000 1.499 370 H CB 0.478 30.225 29.762 -0.024 0.000 1.742 370 H HN 0.295 nan 8.280 nan 0.000 0.750 371 R N -0.266 120.164 120.500 -0.117 0.000 2.873 371 R HA 0.140 4.480 4.340 -0.000 0.000 0.264 371 R C 1.046 177.077 176.300 -0.447 0.000 1.026 371 R CA -0.369 55.599 56.100 -0.221 0.000 1.002 371 R CB 1.485 31.729 30.300 -0.093 0.000 1.174 371 R HN 0.921 nan 8.270 nan 0.000 0.488 372 S N -0.838 114.626 115.700 -0.394 0.000 2.442 372 S HA -0.037 4.432 4.470 -0.000 0.000 0.236 372 S C 1.047 175.469 174.600 -0.296 0.000 1.007 372 S CA 0.674 58.578 58.200 -0.494 0.000 0.965 372 S CB -0.033 62.698 63.200 -0.782 0.000 0.773 372 S HN 0.666 nan 8.310 nan 0.000 0.504 373 G N 1.444 110.129 108.800 -0.191 0.000 2.547 373 G HA2 0.540 4.500 3.960 -0.000 0.000 0.327 373 G HA3 0.540 4.500 3.960 -0.000 0.000 0.327 373 G C -0.402 174.451 174.900 -0.079 0.000 1.118 373 G CA -0.434 44.602 45.100 -0.107 0.000 1.022 373 G HN 0.090 nan 8.290 nan 0.000 0.464 374 E N 0.387 120.554 120.200 -0.055 0.000 2.390 374 E HA 0.713 5.063 4.350 -0.000 0.000 0.249 374 E C 0.412 177.012 176.600 0.000 0.000 0.981 374 E CA -0.374 56.016 56.400 -0.018 0.000 0.860 374 E CB 2.108 31.815 29.700 0.012 0.000 1.278 374 E HN 0.571 nan 8.360 nan 0.000 0.416 375 T N -2.947 111.614 114.554 0.013 0.000 2.696 375 T HA 0.214 4.564 4.350 -0.000 0.000 0.291 375 T C 0.611 175.326 174.700 0.026 0.000 1.095 375 T CA -0.669 61.442 62.100 0.019 0.000 1.026 375 T CB 0.898 69.772 68.868 0.009 0.000 1.390 375 T HN 0.395 nan 8.240 nan 0.000 0.513 376 E N 0.372 120.589 120.200 0.029 0.000 2.516 376 E HA -0.050 4.300 4.350 -0.000 0.000 0.199 376 E C 0.129 176.749 176.600 0.034 0.000 1.069 376 E CA 0.029 56.447 56.400 0.030 0.000 0.876 376 E CB -0.280 29.439 29.700 0.031 0.000 0.843 376 E HN 0.717 nan 8.360 nan 0.000 0.530 377 D N 2.033 122.455 120.400 0.037 0.000 2.414 377 D HA -0.029 4.610 4.640 -0.000 0.000 0.242 377 D C 0.328 176.667 176.300 0.066 0.000 1.129 377 D CA 0.778 54.811 54.000 0.056 0.000 0.885 377 D CB 1.127 41.959 40.800 0.054 0.000 1.198 377 D HN 0.124 nan 8.370 nan 0.000 0.437 378 T N 0.934 115.538 114.554 0.084 0.000 3.200 378 T HA 0.033 4.383 4.350 -0.000 0.000 0.284 378 T C 1.530 176.277 174.700 0.078 0.000 1.009 378 T CA -0.586 61.548 62.100 0.056 0.000 0.907 378 T CB -0.529 68.353 68.868 0.023 0.000 1.120 378 T HN 0.377 nan 8.240 nan 0.000 0.534 379 F N 3.512 123.462 119.950 0.000 0.000 2.087 379 F HA -0.149 4.377 4.527 -0.000 0.000 0.299 379 F C 1.875 177.674 175.800 -0.002 0.000 1.100 379 F CA 2.147 60.152 58.000 0.007 0.000 1.226 379 F CB -0.309 38.696 39.000 0.008 0.000 0.983 379 F HN 0.367 nan 8.300 nan 0.000 0.479 380 I N -1.079 119.584 120.570 0.154 0.000 2.530 380 I HA -0.157 4.013 4.170 -0.000 0.000 0.257 380 I C 2.290 178.346 176.117 -0.102 0.000 1.179 380 I CA 1.320 62.644 61.300 0.039 0.000 1.440 380 I CB -1.353 36.693 38.000 0.077 0.000 1.087 380 I HN 0.166 nan 8.210 nan 0.000 0.440 381 A N 1.870 124.618 122.820 -0.120 0.000 1.877 381 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 381 A C 1.806 179.286 177.584 -0.173 0.000 1.186 381 A CA 2.327 54.275 52.037 -0.150 0.000 0.620 381 A CB -0.885 18.038 19.000 -0.128 0.000 0.822 381 A HN 0.507 nan 8.150 nan 0.000 0.443 382 D N -0.782 119.501 120.400 -0.196 0.000 2.149 382 D HA -0.071 4.568 4.640 -0.000 0.000 0.201 382 D C 1.780 177.953 176.300 -0.211 0.000 0.972 382 D CA 0.892 54.801 54.000 -0.153 0.000 0.835 382 D CB -0.154 40.547 40.800 -0.165 0.000 0.966 382 D HN 0.314 nan 8.370 nan 0.000 0.476 383 L N 0.431 121.436 121.223 -0.364 0.000 1.989 383 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 383 L C 2.170 178.972 176.870 -0.112 0.000 1.071 383 L CA 1.457 56.142 54.840 -0.259 0.000 0.749 383 L CB -0.716 41.236 42.059 -0.177 0.000 0.890 383 L HN 0.034 nan 8.230 nan 0.000 0.431 384 V N -1.326 118.529 119.914 -0.099 0.000 2.515 384 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 384 V C 2.367 178.414 176.094 -0.079 0.000 1.058 384 V CA 1.735 63.994 62.300 -0.068 0.000 1.064 384 V CB 0.052 31.837 31.823 -0.063 0.000 0.675 384 V HN 0.348 nan 8.190 nan 0.000 0.461 385 V N 0.714 120.559 119.914 -0.115 0.000 2.307 385 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 385 V C 2.713 178.772 176.094 -0.057 0.000 1.045 385 V CA 2.097 64.318 62.300 -0.132 0.000 1.024 385 V CB -1.336 30.331 31.823 -0.261 0.000 0.651 385 V HN 0.618 nan 8.190 nan 0.000 0.449 386 G N -0.611 108.183 108.800 -0.009 0.000 2.443 386 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 386 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 386 G C 1.456 176.352 174.900 -0.007 0.000 1.131 386 G CA 0.493 45.608 45.100 0.025 0.000 0.775 386 G HN 0.486 nan 8.290 nan 0.000 0.547 387 L N -0.263 120.947 121.223 -0.022 0.000 2.558 387 L HA 0.140 4.480 4.340 -0.000 0.000 0.225 387 L C 1.144 178.006 176.870 -0.013 0.000 1.128 387 L CA -0.454 54.377 54.840 -0.015 0.000 0.868 387 L CB -0.079 41.975 42.059 -0.009 0.000 1.006 387 L HN 0.190 nan 8.230 nan 0.000 0.454 388 C N 0.691 119.979 119.300 -0.020 0.000 4.274 388 C HA -0.207 4.253 4.460 -0.000 0.000 0.297 388 C C 2.319 177.299 174.990 -0.017 0.000 1.446 388 C CA 0.971 59.976 59.018 -0.021 0.000 2.016 388 C CB -2.854 24.877 27.740 -0.015 0.000 1.273 388 C HN 0.737 nan 8.230 nan 0.000 0.782 389 T N -2.923 111.624 114.554 -0.011 0.000 2.951 389 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 389 T C 1.855 176.555 174.700 0.000 0.000 1.073 389 T CA 1.984 64.085 62.100 0.002 0.000 1.134 389 T CB -0.062 68.816 68.868 0.018 0.000 0.884 389 T HN 2.218 nan 8.240 nan 0.000 0.479 390 G N 1.313 110.107 108.800 -0.009 0.000 2.176 390 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 390 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 390 G C -0.125 174.795 174.900 0.033 0.000 0.979 390 G CA 0.267 45.360 45.100 -0.012 0.000 0.641 390 G HN 1.037 nan 8.290 nan 0.000 0.530 391 Q N -0.925 118.903 119.800 0.048 0.000 2.309 391 Q HA 0.802 5.142 4.340 -0.000 0.000 0.273 391 Q C -1.024 174.993 176.000 0.028 0.000 1.040 391 Q CA -1.113 54.727 55.803 0.062 0.000 0.834 391 Q CB 2.701 31.527 28.738 0.148 0.000 1.345 391 Q HN 0.748 nan 8.270 nan 0.000 0.414 392 I N 1.423 121.995 120.570 0.004 0.000 2.692 392 I HA 0.473 4.643 4.170 -0.000 0.000 0.293 392 I C -1.930 174.144 176.117 -0.071 0.000 1.200 392 I CA -0.758 60.526 61.300 -0.028 0.000 1.036 392 I CB 2.298 40.276 38.000 -0.038 0.000 1.258 392 I HN 0.795 nan 8.210 nan 0.000 0.421 393 K N 4.151 124.487 120.400 -0.105 0.000 2.358 393 K HA 0.505 4.825 4.320 -0.000 0.000 0.260 393 K C -0.797 175.515 176.600 -0.479 0.000 0.956 393 K CA -0.553 55.630 56.287 -0.172 0.000 0.834 393 K CB 1.905 34.369 32.500 -0.061 0.000 1.102 393 K HN 0.491 nan 8.250 nan 0.000 0.431 394 T N 1.949 116.160 114.554 -0.571 0.000 3.672 394 T HA 0.389 4.739 4.350 -0.000 0.000 0.296 394 T C -0.139 174.239 174.700 -0.536 0.000 0.979 394 T CA 0.356 61.853 62.100 -1.006 0.000 1.013 394 T CB -0.357 68.118 68.868 -0.654 0.000 1.184 394 T HN 1.166 nan 8.240 nan 0.000 0.477 395 G N 0.991 109.680 108.800 -0.184 0.000 2.555 395 G HA2 0.395 4.355 3.960 -0.000 0.000 0.686 395 G HA3 0.395 4.355 3.960 -0.000 0.000 0.686 395 G C -0.140 174.986 174.900 0.378 0.000 1.275 395 G CA -0.397 44.853 45.100 0.251 0.000 0.871 395 G HN 0.826 nan 8.290 nan 0.000 0.603 396 A N 0.619 123.564 122.820 0.208 0.000 2.327 396 A HA 0.780 5.099 4.320 -0.000 0.000 0.255 396 A C -1.269 176.259 177.584 -0.093 0.000 1.099 396 A CA -0.388 51.657 52.037 0.014 0.000 0.801 396 A CB 0.308 19.201 19.000 -0.178 0.000 1.062 396 A HN 0.838 nan 8.150 nan 0.000 0.496 397 P HA 0.248 nan 4.420 nan 0.000 0.218 397 P C -0.756 176.235 177.300 -0.515 0.000 1.793 397 P CA 0.159 62.972 63.100 -0.479 0.000 0.941 397 P CB -0.542 30.692 31.700 -0.776 0.000 1.919 398 C N 2.081 121.178 119.300 -0.340 0.000 2.891 398 C HA 0.610 5.070 4.460 -0.000 0.000 0.342 398 C C -0.956 173.998 174.990 -0.061 0.000 1.126 398 C CA -0.238 58.645 59.018 -0.225 0.000 1.322 398 C CB 0.524 28.062 27.740 -0.336 0.000 1.763 398 C HN 0.571 nan 8.230 nan 0.000 0.491 399 R N 4.037 124.533 120.500 -0.006 0.000 1.210 399 R HA -0.093 4.247 4.340 -0.000 0.000 0.422 399 R C 0.692 177.016 176.300 0.039 0.000 1.319 399 R CA 0.601 56.714 56.100 0.021 0.000 0.951 399 R CB -1.361 28.950 30.300 0.019 0.000 3.017 399 R HN 0.915 nan 8.270 nan 0.000 0.506 400 S N 1.710 117.434 115.700 0.041 0.000 2.469 400 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 400 S C 1.668 176.294 174.600 0.043 0.000 0.998 400 S CA 1.375 59.603 58.200 0.047 0.000 0.957 400 S CB -0.076 63.150 63.200 0.043 0.000 0.764 400 S HN 0.715 nan 8.310 nan 0.000 0.514 401 E N 1.371 121.594 120.200 0.039 0.000 2.409 401 E HA -0.120 4.230 4.350 -0.000 0.000 0.198 401 E C 1.400 178.019 176.600 0.031 0.000 1.024 401 E CA 0.603 57.023 56.400 0.034 0.000 0.861 401 E CB -0.044 29.675 29.700 0.032 0.000 0.788 401 E HN 0.367 nan 8.360 nan 0.000 0.521 402 R N 0.436 120.963 120.500 0.045 0.000 2.087 402 R HA 0.245 4.585 4.340 -0.000 0.000 0.213 402 R C 2.693 178.997 176.300 0.007 0.000 1.137 402 R CA 0.340 56.453 56.100 0.022 0.000 1.022 402 R CB -0.871 29.511 30.300 0.136 0.000 0.920 402 R HN 0.186 nan 8.270 nan 0.000 0.451 403 L N 1.350 122.653 121.223 0.133 0.000 2.191 403 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 403 L C 2.539 179.477 176.870 0.113 0.000 1.103 403 L CA 1.256 56.218 54.840 0.203 0.000 0.769 403 L CB -0.631 41.519 42.059 0.152 0.000 0.908 403 L HN 0.138 nan 8.230 nan 0.000 0.438 404 A N -0.038 122.810 122.820 0.047 0.000 1.940 404 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 404 A C 2.293 179.877 177.584 -0.000 0.000 1.176 404 A CA 1.750 53.806 52.037 0.031 0.000 0.631 404 A CB -0.268 18.745 19.000 0.023 0.000 0.814 404 A HN 0.224 nan 8.150 nan 0.000 0.446 405 K N -1.059 119.289 120.400 -0.086 0.000 2.031 405 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 405 K C 1.684 178.215 176.600 -0.115 0.000 1.049 405 K CA 1.429 57.615 56.287 -0.168 0.000 0.939 405 K CB -0.610 31.686 32.500 -0.340 0.000 0.717 405 K HN 0.549 nan 8.250 nan 0.000 0.438 406 Y N 1.543 121.907 120.300 0.106 0.000 2.224 406 Y HA -0.147 4.402 4.550 -0.000 0.000 0.289 406 Y C 1.860 177.879 175.900 0.198 0.000 1.146 406 Y CA 0.960 59.189 58.100 0.216 0.000 1.182 406 Y CB -0.611 38.000 38.460 0.252 0.000 0.983 406 Y HN 0.126 nan 8.280 nan 0.000 0.524 407 N N -0.005 118.847 118.700 0.253 0.000 2.120 407 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 407 N C 1.904 177.478 175.510 0.107 0.000 1.024 407 N CA 1.366 54.517 53.050 0.169 0.000 0.852 407 N CB -0.501 38.056 38.487 0.116 0.000 1.003 407 N HN 0.360 nan 8.380 nan 0.000 0.424 408 Q N 0.964 120.799 119.800 0.058 0.000 2.084 408 Q HA 0.051 4.390 4.340 -0.000 0.000 0.202 408 Q C 2.005 177.978 176.000 -0.045 0.000 0.978 408 Q CA 1.108 56.917 55.803 0.010 0.000 0.844 408 Q CB -0.389 28.343 28.738 -0.010 0.000 0.898 408 Q HN 0.367 nan 8.270 nan 0.000 0.426 409 L N -0.397 120.769 121.223 -0.094 0.000 2.083 409 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 409 L C 2.282 178.993 176.870 -0.264 0.000 1.083 409 L CA 0.872 55.503 54.840 -0.348 0.000 0.752 409 L CB -0.386 41.246 42.059 -0.712 0.000 0.899 409 L HN 0.288 nan 8.230 nan 0.000 0.433 410 L N -0.807 120.448 121.223 0.054 0.000 2.046 410 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 410 L C 2.815 179.713 176.870 0.047 0.000 1.077 410 L CA 1.247 56.180 54.840 0.154 0.000 0.747 410 L CB -0.428 41.753 42.059 0.204 0.000 0.896 410 L HN 0.206 nan 8.230 nan 0.000 0.432 411 R N -0.078 120.438 120.500 0.027 0.000 2.092 411 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 411 R C 2.255 178.553 176.300 -0.002 0.000 1.119 411 R CA 1.223 57.336 56.100 0.022 0.000 0.970 411 R CB -0.325 29.995 30.300 0.034 0.000 0.864 411 R HN 0.349 nan 8.270 nan 0.000 0.440 412 I N 0.603 121.134 120.570 -0.066 0.000 2.252 412 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 412 I C 2.597 178.610 176.117 -0.173 0.000 1.102 412 I CA 1.248 62.459 61.300 -0.148 0.000 1.385 412 I CB -0.272 37.524 38.000 -0.339 0.000 1.064 412 I HN 0.271 nan 8.210 nan 0.000 0.414 413 E N 1.240 121.351 120.200 -0.150 0.000 2.051 413 E HA -0.308 4.042 4.350 -0.000 0.000 0.192 413 E C 2.130 178.714 176.600 -0.027 0.000 0.991 413 E CA 1.580 57.929 56.400 -0.085 0.000 0.799 413 E CB -0.059 29.633 29.700 -0.014 0.000 0.748 413 E HN 0.434 nan 8.360 nan 0.000 0.449 414 E N 0.523 120.722 120.200 -0.001 0.000 2.070 414 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 414 E C 2.079 178.692 176.600 0.022 0.000 1.004 414 E CA 1.609 58.019 56.400 0.017 0.000 0.805 414 E CB -0.125 29.591 29.700 0.027 0.000 0.744 414 E HN 0.346 nan 8.360 nan 0.000 0.451 415 E N 0.169 120.387 120.200 0.030 0.000 2.153 415 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 415 E C 2.208 178.844 176.600 0.061 0.000 0.988 415 E CA 0.745 57.181 56.400 0.060 0.000 0.811 415 E CB -0.043 29.725 29.700 0.114 0.000 0.746 415 E HN 0.360 nan 8.360 nan 0.000 0.466 416 L N 0.090 121.327 121.223 0.025 0.000 2.291 416 L HA 0.029 4.369 4.340 -0.000 0.000 0.214 416 L C 1.509 178.393 176.870 0.024 0.000 1.120 416 L CA 0.436 55.288 54.840 0.021 0.000 0.799 416 L CB -0.773 41.259 42.059 -0.044 0.000 0.925 416 L HN 0.394 nan 8.230 nan 0.000 0.446 417 G N 0.326 109.138 108.800 0.020 0.000 2.569 417 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.259 417 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.259 417 G C 0.878 175.790 174.900 0.019 0.000 1.263 417 G CA 0.450 45.562 45.100 0.021 0.000 0.928 417 G HN 0.364 nan 8.290 nan 0.000 0.572 418 S N -0.384 115.328 115.700 0.020 0.000 2.419 418 S HA -0.077 4.392 4.470 -0.000 0.000 0.235 418 S C 1.834 176.449 174.600 0.024 0.000 1.019 418 S CA 1.979 60.191 58.200 0.021 0.000 0.982 418 S CB -0.086 63.125 63.200 0.020 0.000 0.789 418 S HN 0.640 nan 8.310 nan 0.000 0.490 419 K N 1.993 122.408 120.400 0.025 0.000 2.487 419 K HA 0.382 4.702 4.320 -0.000 0.000 0.192 419 K C 0.766 177.383 176.600 0.028 0.000 1.027 419 K CA 0.461 56.764 56.287 0.027 0.000 1.054 419 K CB -0.796 31.720 32.500 0.027 0.000 0.824 419 K HN 0.542 nan 8.250 nan 0.000 0.510 420 A N 2.090 124.925 122.820 0.024 0.000 2.566 420 A HA 0.004 4.324 4.320 -0.000 0.000 0.245 420 A C -0.075 177.541 177.584 0.054 0.000 1.056 420 A CA 0.444 52.494 52.037 0.022 0.000 0.757 420 A CB -0.074 18.933 19.000 0.012 0.000 0.979 420 A HN 0.128 nan 8.150 nan 0.000 0.508 421 K N 0.928 121.363 120.400 0.059 0.000 2.123 421 K HA 0.569 4.889 4.320 -0.000 0.000 0.259 421 K C -1.168 175.540 176.600 0.179 0.000 0.960 421 K CA -0.268 56.078 56.287 0.098 0.000 0.872 421 K CB 1.626 34.160 32.500 0.056 0.000 1.079 421 K HN 0.592 nan 8.250 nan 0.000 0.440 422 F N 1.291 121.260 119.950 0.031 0.000 2.518 422 F HA 0.391 4.918 4.527 -0.000 0.000 0.323 422 F C 0.695 176.531 175.800 0.061 0.000 1.129 422 F CA -0.705 57.329 58.000 0.056 0.000 0.920 422 F CB 1.373 40.419 39.000 0.076 0.000 1.160 422 F HN 0.668 nan 8.300 nan 0.000 0.440 423 A N 4.784 127.292 122.820 -0.520 0.000 1.892 423 A HA 0.194 4.514 4.320 -0.000 0.000 0.218 423 A C 1.972 179.289 177.584 -0.444 0.000 1.188 423 A CA 1.901 53.692 52.037 -0.411 0.000 0.631 423 A CB -1.604 17.215 19.000 -0.301 0.000 0.822 423 A HN 1.925 nan 8.150 nan 0.000 0.447 424 G N -1.087 107.124 108.800 -0.981 0.000 2.634 424 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.309 424 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.309 424 G C 0.854 175.740 174.900 -0.023 0.000 1.265 424 G CA 0.835 45.727 45.100 -0.348 0.000 0.998 424 G HN 0.624 nan 8.290 nan 0.000 0.551 425 R N 1.072 121.624 120.500 0.086 0.000 2.328 425 R HA 0.031 4.371 4.340 -0.000 0.000 0.207 425 R C 1.235 177.648 176.300 0.188 0.000 1.056 425 R CA 0.872 57.089 56.100 0.195 0.000 1.016 425 R CB -0.171 30.207 30.300 0.129 0.000 0.872 425 R HN 0.376 nan 8.270 nan 0.000 0.471 426 N N 0.728 119.473 118.700 0.075 0.000 2.295 426 N HA -0.028 4.712 4.740 -0.000 0.000 0.221 426 N C 0.761 176.218 175.510 -0.087 0.000 1.129 426 N CA 0.066 53.095 53.050 -0.035 0.000 0.836 426 N CB 0.200 38.664 38.487 -0.039 0.000 1.040 426 N HN 0.259 nan 8.380 nan 0.000 0.494 427 F N 0.971 120.851 119.950 -0.117 0.000 2.202 427 F HA -0.012 4.515 4.527 -0.000 0.000 0.301 427 F C 1.979 177.738 175.800 -0.069 0.000 1.082 427 F CA 0.806 58.733 58.000 -0.121 0.000 1.313 427 F CB -0.479 38.444 39.000 -0.129 0.000 1.024 427 F HN -0.118 nan 8.300 nan 0.000 0.495 428 R N 0.407 120.256 120.500 -1.084 0.000 2.120 428 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 428 R C 0.033 176.163 176.300 -0.283 0.000 1.123 428 R CA 1.513 57.202 56.100 -0.684 0.000 0.975 428 R CB -0.544 29.337 30.300 -0.699 0.000 0.866 428 R HN 0.406 nan 8.270 nan 0.000 0.446 429 N N -1.060 117.506 118.700 -0.223 0.000 2.976 429 N HA 0.081 4.821 4.740 -0.000 0.000 0.220 429 N C -2.389 173.069 175.510 -0.085 0.000 1.428 429 N CA -0.869 52.115 53.050 -0.110 0.000 0.748 429 N CB 1.230 39.669 38.487 -0.081 0.000 1.484 429 N HN -0.217 nan 8.380 nan 0.000 0.578 430 P HA -0.128 nan 4.420 nan 0.000 0.234 430 P C 0.528 177.807 177.300 -0.035 0.000 1.162 430 P CA 0.716 63.785 63.100 -0.052 0.000 0.759 430 P CB 0.490 32.161 31.700 -0.049 0.000 0.813 431 L N -0.471 120.733 121.223 -0.032 0.000 2.350 431 L HA 0.396 4.736 4.340 -0.000 0.000 0.209 431 L C 1.303 178.161 176.870 -0.021 0.000 1.215 431 L CA 0.329 55.157 54.840 -0.021 0.000 2.667 431 L CB -1.524 40.525 42.059 -0.018 0.000 2.466 431 L HN -0.020 nan 8.230 nan 0.000 1.095 432 A N 0.000 122.808 122.820 -0.019 0.000 2.254 432 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 432 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 432 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 432 A HN 0.000 nan 8.150 nan 0.000 0.486