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 2d65_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITTAPA DPILGLADLL RADERPGKID LGMGVYNDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPGWPTHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRVN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFTI DATA SEQUENCE KQNGMFFFGG LTKEQVLRLR EEFGVYAVAS GRLNVAGMTP DNLAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.228 176.300 -0.120 0.000 1.140 5 M CA 0.000 55.104 55.300 -0.327 0.000 0.988 5 M CB 0.000 32.229 32.600 -0.618 0.000 1.302 6 F N 1.438 121.386 119.950 -0.004 0.000 2.695 6 F HA 0.330 4.871 4.527 0.022 0.000 0.303 6 F C 1.705 177.503 175.800 -0.004 0.000 1.091 6 F CA 0.013 58.010 58.000 -0.004 0.000 1.300 6 F CB -0.683 38.314 39.000 -0.004 0.000 1.071 6 F HN 0.113 nan 8.300 nan 0.000 0.578 7 E N 0.656 120.924 120.200 0.114 0.000 2.130 7 E HA -0.185 4.179 4.350 0.022 0.000 0.196 7 E C 1.313 177.952 176.600 0.064 0.000 0.998 7 E CA 1.425 57.867 56.400 0.069 0.000 0.806 7 E CB -0.284 29.431 29.700 0.025 0.000 0.738 7 E HN 0.234 nan 8.360 nan 0.000 0.459 8 N N 0.119 118.858 118.700 0.065 0.000 2.270 8 N HA 0.110 4.863 4.740 0.022 0.000 0.198 8 N C -0.138 175.401 175.510 0.049 0.000 1.117 8 N CA 0.059 53.137 53.050 0.047 0.000 0.845 8 N CB 0.467 38.974 38.487 0.034 0.000 0.980 8 N HN 0.178 nan 8.380 nan 0.000 0.486 9 I N 1.182 121.793 120.570 0.069 0.000 2.683 9 I HA -0.074 4.109 4.170 0.022 0.000 0.286 9 I C 1.141 177.269 176.117 0.019 0.000 1.175 9 I CA 0.463 61.789 61.300 0.043 0.000 1.429 9 I CB 0.534 38.555 38.000 0.035 0.000 1.371 9 I HN -0.109 nan 8.210 nan 0.000 0.569 10 T N 4.732 119.289 114.554 0.006 0.000 2.909 10 T HA 0.204 4.567 4.350 0.022 0.000 0.286 10 T C 0.200 174.893 174.700 -0.012 0.000 1.002 10 T CA -0.498 61.601 62.100 -0.001 0.000 1.074 10 T CB 0.659 69.525 68.868 -0.003 0.000 0.984 10 T HN 0.632 nan 8.240 nan 0.000 0.495 11 T N 3.826 118.373 114.554 -0.012 0.000 2.928 11 T HA 0.455 4.819 4.350 0.022 0.000 0.305 11 T C 0.379 175.066 174.700 -0.022 0.000 1.035 11 T CA -0.272 61.817 62.100 -0.019 0.000 1.145 11 T CB 0.363 69.222 68.868 -0.014 0.000 0.963 11 T HN 0.860 nan 8.240 nan 0.000 0.545 12 A N 4.597 127.400 122.820 -0.029 0.000 2.340 12 A HA 0.574 4.907 4.320 0.022 0.000 0.268 12 A C -1.948 175.618 177.584 -0.030 0.000 1.100 12 A CA -1.393 50.625 52.037 -0.032 0.000 0.803 12 A CB -0.445 18.531 19.000 -0.040 0.000 1.043 12 A HN 0.606 nan 8.150 nan 0.000 0.488 13 P HA 0.402 nan 4.420 nan 0.000 0.271 13 P C -0.139 177.141 177.300 -0.034 0.000 1.216 13 P CA 0.011 63.094 63.100 -0.030 0.000 0.776 13 P CB 0.795 32.475 31.700 -0.033 0.000 0.881 14 A N 2.117 124.921 122.820 -0.027 0.000 2.445 14 A HA 0.098 4.431 4.320 0.022 0.000 0.242 14 A C 0.405 177.966 177.584 -0.038 0.000 1.075 14 A CA -0.204 51.817 52.037 -0.027 0.000 0.777 14 A CB -0.072 18.920 19.000 -0.014 0.000 1.013 14 A HN 0.606 nan 8.150 nan 0.000 0.493 15 D N 2.692 123.064 120.400 -0.045 0.000 2.348 15 D HA 0.144 4.797 4.640 0.022 0.000 0.253 15 D C -1.271 174.999 176.300 -0.050 0.000 1.161 15 D CA -1.397 52.563 54.000 -0.066 0.000 0.876 15 D CB 1.173 41.927 40.800 -0.077 0.000 1.160 15 D HN 0.275 nan 8.370 nan 0.000 0.459 16 P HA -0.118 nan 4.420 nan 0.000 0.221 16 P C 1.429 178.716 177.300 -0.022 0.000 1.145 16 P CA 0.972 64.049 63.100 -0.038 0.000 0.795 16 P CB 0.621 32.289 31.700 -0.055 0.000 0.775 17 I N -1.470 119.077 120.570 -0.038 0.000 3.132 17 I HA -0.011 4.173 4.170 0.022 0.000 0.255 17 I C 2.479 178.603 176.117 0.012 0.000 1.118 17 I CA 0.233 61.532 61.300 -0.002 0.000 1.463 17 I CB -0.395 37.606 38.000 0.001 0.000 1.356 17 I HN -0.250 nan 8.210 nan 0.000 0.463 18 L N 0.951 122.169 121.223 -0.009 0.000 2.275 18 L HA -0.051 4.302 4.340 0.022 0.000 0.215 18 L C 2.451 179.318 176.870 -0.005 0.000 1.119 18 L CA 1.195 56.033 54.840 -0.004 0.000 0.790 18 L CB -0.933 41.115 42.059 -0.018 0.000 0.919 18 L HN 0.339 nan 8.230 nan 0.000 0.443 19 G N 0.099 108.896 108.800 -0.006 0.000 2.509 19 G HA2 -0.136 3.837 3.960 0.022 0.000 0.218 19 G HA3 -0.136 3.837 3.960 0.022 0.000 0.218 19 G C 1.609 176.523 174.900 0.023 0.000 1.124 19 G CA 0.152 45.253 45.100 0.002 0.000 0.776 19 G HN 0.254 nan 8.290 nan 0.000 0.547 20 L N 0.459 121.705 121.223 0.038 0.000 2.131 20 L HA -0.051 4.302 4.340 0.022 0.000 0.210 20 L C 3.332 180.199 176.870 -0.005 0.000 1.092 20 L CA 0.808 55.690 54.840 0.069 0.000 0.759 20 L CB -0.360 41.760 42.059 0.101 0.000 0.903 20 L HN 0.294 nan 8.230 nan 0.000 0.435 21 A N 0.120 122.928 122.820 -0.021 0.000 1.908 21 A HA -0.233 4.101 4.320 0.022 0.000 0.218 21 A C 1.941 179.489 177.584 -0.060 0.000 1.181 21 A CA 2.002 54.007 52.037 -0.053 0.000 0.627 21 A CB -0.435 18.544 19.000 -0.035 0.000 0.818 21 A HN 0.385 nan 8.150 nan 0.000 0.445 22 D N 0.010 120.391 120.400 -0.032 0.000 2.149 22 D HA -0.069 4.584 4.640 0.022 0.000 0.201 22 D C 1.976 178.262 176.300 -0.022 0.000 0.972 22 D CA 0.966 54.951 54.000 -0.025 0.000 0.835 22 D CB -0.288 40.505 40.800 -0.011 0.000 0.966 22 D HN 0.465 nan 8.370 nan 0.000 0.476 23 L N 0.420 121.643 121.223 0.000 0.000 2.093 23 L HA -0.094 4.259 4.340 0.022 0.000 0.208 23 L C 2.600 179.434 176.870 -0.061 0.000 1.085 23 L CA 0.482 55.351 54.840 0.049 0.000 0.755 23 L CB -0.294 41.881 42.059 0.193 0.000 0.904 23 L HN -0.001 nan 8.230 nan 0.000 0.435 24 L N -0.473 120.598 121.223 -0.255 0.000 2.093 24 L HA -0.210 4.143 4.340 0.022 0.000 0.208 24 L C 2.832 179.575 176.870 -0.212 0.000 1.085 24 L CA 0.910 55.475 54.840 -0.458 0.000 0.755 24 L CB -0.303 41.476 42.059 -0.467 0.000 0.904 24 L HN 0.210 nan 8.230 nan 0.000 0.435 25 R N 0.443 120.868 120.500 -0.126 0.000 2.080 25 R HA -0.186 4.167 4.340 0.022 0.000 0.236 25 R C 2.207 178.478 176.300 -0.048 0.000 1.137 25 R CA 1.894 57.950 56.100 -0.074 0.000 0.943 25 R CB -0.579 29.690 30.300 -0.051 0.000 0.846 25 R HN 0.330 nan 8.270 nan 0.000 0.431 26 A N 0.247 123.048 122.820 -0.031 0.000 1.969 26 A HA -0.092 4.241 4.320 0.022 0.000 0.218 26 A C 0.730 178.317 177.584 0.006 0.000 1.169 26 A CA 1.051 53.084 52.037 -0.006 0.000 0.635 26 A CB -0.556 18.451 19.000 0.011 0.000 0.810 26 A HN 0.442 nan 8.150 nan 0.000 0.445 27 D N 0.716 121.121 120.400 0.009 0.000 2.358 27 D HA 0.045 4.698 4.640 0.022 0.000 0.258 27 D C 0.793 177.101 176.300 0.013 0.000 1.223 27 D CA 0.226 54.250 54.000 0.041 0.000 0.886 27 D CB 0.579 41.441 40.800 0.102 0.000 1.120 27 D HN 0.660 nan 8.370 nan 0.000 0.482 28 E N 2.979 123.191 120.200 0.020 0.000 2.474 28 E HA 0.063 4.426 4.350 0.022 0.000 0.195 28 E C 0.228 176.838 176.600 0.017 0.000 1.039 28 E CA -0.397 56.009 56.400 0.010 0.000 0.881 28 E CB 0.337 30.042 29.700 0.007 0.000 0.970 28 E HN 0.264 nan 8.360 nan 0.000 0.486 29 R N 1.709 122.229 120.500 0.033 0.000 2.623 29 R HA 0.048 4.401 4.340 0.022 0.000 0.271 29 R C -1.593 174.727 176.300 0.034 0.000 1.043 29 R CA -0.997 55.126 56.100 0.038 0.000 1.083 29 R CB 0.214 30.549 30.300 0.058 0.000 0.974 29 R HN 0.031 nan 8.270 nan 0.000 0.436 30 P HA -0.069 nan 4.420 nan 0.000 0.216 30 P C 0.749 178.068 177.300 0.032 0.000 1.153 30 P CA 0.975 64.090 63.100 0.024 0.000 0.844 30 P CB 0.245 31.958 31.700 0.021 0.000 0.787 31 G N 0.046 108.874 108.800 0.047 0.000 3.424 31 G HA2 0.017 3.990 3.960 0.022 0.000 0.263 31 G HA3 0.017 3.990 3.960 0.022 0.000 0.263 31 G C 0.009 174.956 174.900 0.079 0.000 1.310 31 G CA -0.279 44.855 45.100 0.057 0.000 1.089 31 G HN 0.217 nan 8.290 nan 0.000 0.534 32 K N 0.404 120.850 120.400 0.078 0.000 2.448 32 K HA 0.251 4.584 4.320 0.022 0.000 0.278 32 K C -0.284 176.371 176.600 0.092 0.000 1.009 32 K CA 0.448 56.804 56.287 0.114 0.000 0.995 32 K CB 1.166 33.695 32.500 0.049 0.000 0.917 32 K HN 0.135 nan 8.250 nan 0.000 0.481 33 I N 2.469 123.129 120.570 0.149 0.000 2.411 33 I HA 0.049 4.233 4.170 0.022 0.000 0.284 33 I C -0.538 175.660 176.117 0.136 0.000 1.012 33 I CA -0.780 60.581 61.300 0.103 0.000 1.119 33 I CB 1.556 39.608 38.000 0.087 0.000 1.261 33 I HN 0.528 nan 8.210 nan 0.000 0.448 34 D N 8.001 128.437 120.400 0.060 0.000 2.411 34 D HA 0.284 4.938 4.640 0.022 0.000 0.225 34 D C 0.036 176.371 176.300 0.059 0.000 1.156 34 D CA 0.009 54.041 54.000 0.054 0.000 0.874 34 D CB 0.857 41.642 40.800 -0.026 0.000 1.034 34 D HN 0.454 nan 8.370 nan 0.000 0.502 35 L N 3.162 124.448 121.223 0.106 0.000 3.110 35 L HA 0.381 4.734 4.340 0.022 0.000 0.266 35 L C 1.640 178.594 176.870 0.140 0.000 1.257 35 L CA -0.526 54.370 54.840 0.093 0.000 1.038 35 L CB 0.998 43.102 42.059 0.075 0.000 1.395 35 L HN 0.408 nan 8.230 nan 0.000 0.566 36 G N 0.292 109.173 108.800 0.135 0.000 2.632 36 G HA2 0.108 4.081 3.960 0.022 0.000 0.220 36 G HA3 0.108 4.081 3.960 0.022 0.000 0.220 36 G C 0.685 175.683 174.900 0.163 0.000 1.439 36 G CA -0.293 44.892 45.100 0.141 0.000 0.934 36 G HN 0.052 nan 8.290 nan 0.000 0.536 37 M N 1.567 121.242 119.600 0.125 0.000 2.252 37 M HA 0.242 4.735 4.480 0.022 0.000 0.333 37 M C 1.014 177.445 176.300 0.218 0.000 1.111 37 M CA 0.097 55.488 55.300 0.152 0.000 1.140 37 M CB 0.779 33.420 32.600 0.068 0.000 1.538 37 M HN 0.208 nan 8.290 nan 0.000 0.448 38 G N 2.908 111.915 108.800 0.346 0.000 2.821 38 G HA2 0.433 4.406 3.960 0.022 0.000 0.289 38 G HA3 0.433 4.406 3.960 0.022 0.000 0.289 38 G C -0.619 174.349 174.900 0.114 0.000 0.771 38 G CA -0.330 44.956 45.100 0.311 0.000 1.908 38 G HN 0.490 nan 8.290 nan 0.000 0.539 39 V N 2.347 122.259 119.914 -0.003 0.000 2.656 39 V HA 0.315 4.448 4.120 0.022 0.000 0.307 39 V C -0.587 175.527 176.094 0.032 0.000 1.051 39 V CA -1.274 60.952 62.300 -0.123 0.000 0.893 39 V CB 1.787 33.381 31.823 -0.382 0.000 0.999 39 V HN 0.604 nan 8.190 nan 0.000 0.426 40 Y N 4.193 124.557 120.300 0.107 0.000 2.346 40 Y HA 0.419 4.981 4.550 0.021 0.000 0.330 40 Y C 0.120 176.066 175.900 0.076 0.000 1.178 40 Y CA 0.282 58.451 58.100 0.114 0.000 1.331 40 Y CB 0.808 39.406 38.460 0.231 0.000 1.253 40 Y HN 0.747 nan 8.280 nan 0.000 0.529 41 N N 3.283 121.515 118.700 -0.780 0.000 2.229 41 N HA 0.229 4.982 4.740 0.022 0.000 0.298 41 N C -1.597 173.415 175.510 -0.829 0.000 1.114 41 N CA -0.854 51.884 53.050 -0.521 0.000 0.776 41 N CB 1.291 39.602 38.487 -0.294 0.000 1.501 41 N HN 0.642 nan 8.380 nan 0.000 0.474 42 D N -0.367 119.853 120.400 -0.299 0.000 2.506 42 D HA 0.204 4.857 4.640 0.022 0.000 0.272 42 D C 0.457 176.695 176.300 -0.103 0.000 1.214 42 D CA -0.370 53.562 54.000 -0.115 0.000 1.067 42 D CB 0.376 41.234 40.800 0.096 0.000 1.117 42 D HN 0.388 nan 8.370 nan 0.000 0.578 43 E N -1.147 119.034 120.200 -0.031 0.000 2.273 43 E HA -0.149 4.214 4.350 0.022 0.000 0.198 43 E C 1.576 178.159 176.600 -0.028 0.000 1.002 43 E CA 1.978 58.361 56.400 -0.028 0.000 0.828 43 E CB -0.735 28.964 29.700 -0.001 0.000 0.747 43 E HN 0.690 nan 8.360 nan 0.000 0.491 44 T N -3.459 111.083 114.554 -0.020 0.000 3.107 44 T HA 0.324 4.687 4.350 0.022 0.000 0.249 44 T C 1.512 176.197 174.700 -0.025 0.000 1.096 44 T CA 0.177 62.269 62.100 -0.014 0.000 1.012 44 T CB 0.172 69.042 68.868 0.002 0.000 0.977 44 T HN 0.295 nan 8.240 nan 0.000 0.527 45 G N 1.302 110.072 108.800 -0.050 0.000 2.143 45 G HA2 -0.238 3.735 3.960 0.022 0.000 0.248 45 G HA3 -0.238 3.735 3.960 0.022 0.000 0.248 45 G C -0.162 174.710 174.900 -0.046 0.000 0.991 45 G CA 0.236 45.301 45.100 -0.059 0.000 0.689 45 G HN 0.693 nan 8.290 nan 0.000 0.522 46 K N -0.238 120.144 120.400 -0.030 0.000 2.221 46 K HA 0.651 4.985 4.320 0.022 0.000 0.243 46 K C -0.404 176.210 176.600 0.023 0.000 0.968 46 K CA -0.608 55.679 56.287 0.000 0.000 0.846 46 K CB 1.571 34.085 32.500 0.023 0.000 1.141 46 K HN 0.012 nan 8.250 nan 0.000 0.434 47 T N 3.942 118.529 114.554 0.054 0.000 3.149 47 T HA 0.226 4.590 4.350 0.022 0.000 0.373 47 T C -2.041 172.759 174.700 0.167 0.000 1.364 47 T CA -1.274 60.904 62.100 0.131 0.000 1.110 47 T CB 0.236 69.154 68.868 0.083 0.000 1.127 47 T HN 0.458 nan 8.240 nan 0.000 0.576 48 P HA 0.376 nan 4.420 nan 0.000 0.276 48 P C -0.527 176.878 177.300 0.174 0.000 1.252 48 P CA -0.507 62.688 63.100 0.157 0.000 0.802 48 P CB 0.897 32.680 31.700 0.139 0.000 1.035 49 V N 2.193 122.188 119.914 0.136 0.000 2.488 49 V HA 0.026 4.159 4.120 0.022 0.000 0.277 49 V C 0.953 177.114 176.094 0.113 0.000 1.046 49 V CA -0.594 61.783 62.300 0.129 0.000 0.986 49 V CB 0.298 32.186 31.823 0.108 0.000 0.989 49 V HN 0.383 nan 8.190 nan 0.000 0.475 50 L N 4.606 125.898 121.223 0.114 0.000 2.506 50 L HA 0.055 4.409 4.340 0.022 0.000 0.281 50 L C 1.788 178.707 176.870 0.082 0.000 1.228 50 L CA 1.008 55.904 54.840 0.093 0.000 0.850 50 L CB 0.164 42.287 42.059 0.107 0.000 1.110 50 L HN 0.784 nan 8.230 nan 0.000 0.496 51 T N -0.287 114.305 114.554 0.064 0.000 2.821 51 T HA -0.142 4.222 4.350 0.022 0.000 0.267 51 T C 1.842 176.578 174.700 0.060 0.000 1.046 51 T CA 1.537 63.669 62.100 0.055 0.000 1.139 51 T CB -0.077 68.814 68.868 0.038 0.000 0.871 51 T HN 0.844 nan 8.240 nan 0.000 0.454 52 S N 1.188 116.932 115.700 0.074 0.000 2.399 52 S HA -0.072 4.411 4.470 0.022 0.000 0.231 52 S C 2.142 176.784 174.600 0.070 0.000 1.022 52 S CA 0.790 59.039 58.200 0.081 0.000 0.983 52 S CB -0.864 62.420 63.200 0.139 0.000 0.803 52 S HN 0.292 nan 8.310 nan 0.000 0.480 53 V N 2.217 122.183 119.914 0.087 0.000 2.307 53 V HA -0.107 4.026 4.120 0.022 0.000 0.245 53 V C 2.833 178.961 176.094 0.057 0.000 1.045 53 V CA 1.686 64.029 62.300 0.071 0.000 1.024 53 V CB -0.584 31.298 31.823 0.097 0.000 0.651 53 V HN 0.385 nan 8.190 nan 0.000 0.449 54 K N 0.479 120.920 120.400 0.067 0.000 2.063 54 K HA -0.187 4.146 4.320 0.022 0.000 0.208 54 K C 2.115 178.752 176.600 0.063 0.000 1.048 54 K CA 1.517 57.844 56.287 0.067 0.000 0.928 54 K CB -0.375 32.162 32.500 0.062 0.000 0.713 54 K HN 0.472 nan 8.250 nan 0.000 0.442 55 K N 0.190 120.623 120.400 0.055 0.000 2.097 55 K HA -0.046 4.287 4.320 0.022 0.000 0.205 55 K C 2.180 178.821 176.600 0.068 0.000 1.050 55 K CA 1.091 57.412 56.287 0.057 0.000 0.938 55 K CB -0.100 32.425 32.500 0.042 0.000 0.718 55 K HN 0.092 nan 8.250 nan 0.000 0.442 56 A N 1.761 124.603 122.820 0.038 0.000 1.898 56 A HA -0.182 4.151 4.320 0.022 0.000 0.216 56 A C 1.858 179.486 177.584 0.073 0.000 1.181 56 A CA 1.350 53.399 52.037 0.021 0.000 0.620 56 A CB -0.299 18.671 19.000 -0.051 0.000 0.819 56 A HN 0.271 nan 8.150 nan 0.000 0.442 57 E N -0.930 119.305 120.200 0.058 0.000 2.150 57 E HA -0.230 4.134 4.350 0.022 0.000 0.193 57 E C 2.176 178.843 176.600 0.111 0.000 0.985 57 E CA 1.231 57.690 56.400 0.099 0.000 0.814 57 E CB -0.081 29.702 29.700 0.138 0.000 0.752 57 E HN 0.716 nan 8.360 nan 0.000 0.466 58 Q N 0.347 120.208 119.800 0.102 0.000 2.046 58 Q HA -0.215 4.138 4.340 0.022 0.000 0.200 58 Q C 1.838 177.895 176.000 0.096 0.000 0.975 58 Q CA 1.479 57.333 55.803 0.085 0.000 0.836 58 Q CB -0.453 28.334 28.738 0.081 0.000 0.896 58 Q HN 0.408 nan 8.270 nan 0.000 0.428 59 Y N 0.131 120.433 120.300 0.003 0.000 2.145 59 Y HA -0.191 4.369 4.550 0.017 0.000 0.286 59 Y C 1.676 177.573 175.900 -0.005 0.000 1.145 59 Y CA 1.862 59.959 58.100 -0.004 0.000 1.148 59 Y CB -0.103 38.349 38.460 -0.014 0.000 0.981 59 Y HN 0.151 nan 8.280 nan 0.000 0.507 60 L N -0.653 120.647 121.223 0.128 0.000 2.083 60 L HA -0.211 4.142 4.340 0.022 0.000 0.209 60 L C 2.401 179.258 176.870 -0.022 0.000 1.083 60 L CA 1.081 55.946 54.840 0.043 0.000 0.752 60 L CB -0.731 41.382 42.059 0.089 0.000 0.899 60 L HN 0.332 nan 8.230 nan 0.000 0.433 61 L N 0.003 121.229 121.223 0.006 0.000 2.131 61 L HA -0.202 4.151 4.340 0.022 0.000 0.210 61 L C 2.217 179.053 176.870 -0.058 0.000 1.092 61 L CA 1.818 56.651 54.840 -0.011 0.000 0.759 61 L CB -0.375 41.689 42.059 0.009 0.000 0.903 61 L HN 0.249 nan 8.230 nan 0.000 0.435 62 E N -1.455 118.680 120.200 -0.108 0.000 2.340 62 E HA -0.005 4.358 4.350 0.022 0.000 0.194 62 E C 1.153 177.635 176.600 -0.196 0.000 0.996 62 E CA 0.726 57.043 56.400 -0.139 0.000 0.869 62 E CB 0.082 29.698 29.700 -0.139 0.000 0.835 62 E HN 0.535 nan 8.360 nan 0.000 0.493 63 N N 0.303 118.828 118.700 -0.293 0.000 2.250 63 N HA 0.028 4.781 4.740 0.022 0.000 0.190 63 N C 0.263 175.678 175.510 -0.157 0.000 1.116 63 N CA 0.002 52.881 53.050 -0.286 0.000 0.881 63 N CB 0.683 38.849 38.487 -0.535 0.000 1.006 63 N HN 0.068 nan 8.380 nan 0.000 0.491 67 T N 0.374 114.910 114.554 -0.031 0.000 2.840 67 T HA 0.550 4.913 4.350 0.022 0.000 0.317 67 T C -1.370 173.304 174.700 -0.044 0.000 1.401 67 T CA -0.610 61.469 62.100 -0.036 0.000 1.028 67 T CB 1.761 70.612 68.868 -0.029 0.000 1.317 67 T HN -0.060 nan 8.240 nan 0.000 0.495 68 K N 2.210 122.570 120.400 -0.066 0.000 2.537 68 K HA 0.234 4.568 4.320 0.022 0.000 0.206 68 K C 0.332 176.850 176.600 -0.138 0.000 1.041 68 K CA -0.451 55.784 56.287 -0.087 0.000 1.090 68 K CB -0.026 32.415 32.500 -0.098 0.000 0.833 68 K HN 0.469 nan 8.250 nan 0.000 0.493 69 N N 1.147 119.783 118.700 -0.107 0.000 2.407 69 N HA -0.113 4.640 4.740 0.022 0.000 0.250 69 N C -0.495 174.971 175.510 -0.074 0.000 1.236 69 N CA 0.240 53.219 53.050 -0.119 0.000 0.879 69 N CB 0.174 38.645 38.487 -0.028 0.000 1.088 69 N HN -0.055 nan 8.380 nan 0.000 0.450 70 Y N 1.644 121.946 120.300 0.003 0.000 3.059 70 Y HA -0.119 4.447 4.550 0.026 0.000 0.343 70 Y C 0.911 176.815 175.900 0.007 0.000 1.273 70 Y CA 0.585 58.689 58.100 0.006 0.000 1.572 70 Y CB 0.049 38.514 38.460 0.007 0.000 1.228 70 Y HN 0.314 nan 8.280 nan 0.000 0.610 71 L N 2.168 123.504 121.223 0.188 0.000 2.431 71 L HA 0.527 4.880 4.340 0.022 0.000 0.260 71 L C 1.199 178.134 176.870 0.108 0.000 1.098 71 L CA -0.717 54.187 54.840 0.107 0.000 0.800 71 L CB 0.504 42.602 42.059 0.065 0.000 1.210 71 L HN 0.800 nan 8.230 nan 0.000 0.465 72 G N -0.207 108.639 108.800 0.076 0.000 2.634 72 G HA2 0.246 4.219 3.960 0.022 0.000 0.255 72 G HA3 0.246 4.219 3.960 0.022 0.000 0.255 72 G C 0.936 175.867 174.900 0.051 0.000 1.205 72 G CA -0.478 44.656 45.100 0.057 0.000 0.884 72 G HN 0.658 nan 8.290 nan 0.000 0.549 73 I N 0.291 120.869 120.570 0.014 0.000 2.248 73 I HA -0.196 3.987 4.170 0.022 0.000 0.248 73 I C 1.972 178.106 176.117 0.028 0.000 1.107 73 I CA 1.674 62.965 61.300 -0.014 0.000 1.373 73 I CB -0.090 37.860 38.000 -0.082 0.000 1.055 73 I HN 0.572 nan 8.210 nan 0.000 0.418 74 D N 0.311 120.754 120.400 0.071 0.000 2.339 74 D HA 0.198 4.851 4.640 0.022 0.000 0.217 74 D C 1.055 177.452 176.300 0.162 0.000 1.050 74 D CA 0.756 54.851 54.000 0.158 0.000 0.856 74 D CB -0.136 40.850 40.800 0.309 0.000 0.922 74 D HN 0.380 nan 8.370 nan 0.000 0.518 75 G N 0.769 109.632 108.800 0.104 0.000 2.615 75 G HA2 -0.216 3.758 3.960 0.022 0.000 0.218 75 G HA3 -0.216 3.758 3.960 0.022 0.000 0.218 75 G C -0.493 174.441 174.900 0.057 0.000 1.339 75 G CA -0.406 44.724 45.100 0.050 0.000 0.884 75 G HN 0.286 nan 8.290 nan 0.000 0.559 76 I N 3.435 124.012 120.570 0.013 0.000 2.517 76 I HA 0.149 4.332 4.170 0.022 0.000 0.285 76 I C -0.340 175.854 176.117 0.128 0.000 1.106 76 I CA -1.283 60.047 61.300 0.050 0.000 1.402 76 I CB 1.287 39.291 38.000 0.008 0.000 1.399 76 I HN 0.419 nan 8.210 nan 0.000 0.535 77 P HA -0.199 nan 4.420 nan 0.000 0.216 77 P C 0.996 178.344 177.300 0.080 0.000 1.153 77 P CA 1.508 64.663 63.100 0.091 0.000 0.858 77 P CB 0.275 32.012 31.700 0.062 0.000 0.789 78 E N -0.624 119.614 120.200 0.064 0.000 2.118 78 E HA -0.161 4.202 4.350 0.022 0.000 0.195 78 E C 1.863 178.480 176.600 0.028 0.000 0.992 78 E CA 0.836 57.253 56.400 0.030 0.000 0.804 78 E CB -1.383 28.324 29.700 0.012 0.000 0.741 78 E HN 0.289 nan 8.360 nan 0.000 0.458 79 F N 0.878 120.780 119.950 -0.080 0.000 2.126 79 F HA -0.105 4.434 4.527 0.021 0.000 0.299 79 F C 2.154 177.919 175.800 -0.059 0.000 1.096 79 F CA 1.900 59.831 58.000 -0.114 0.000 1.255 79 F CB -0.593 38.337 39.000 -0.116 0.000 0.997 79 F HN 0.064 nan 8.300 nan 0.000 0.479 80 G N 0.277 109.126 108.800 0.082 0.000 2.421 80 G HA2 -0.227 3.746 3.960 0.022 0.000 0.216 80 G HA3 -0.227 3.746 3.960 0.022 0.000 0.216 80 G C 1.828 176.678 174.900 -0.084 0.000 1.171 80 G CA 0.709 45.808 45.100 -0.001 0.000 0.775 80 G HN 0.314 nan 8.290 nan 0.000 0.543 81 R N -0.497 119.971 120.500 -0.053 0.000 2.073 81 R HA -0.077 4.277 4.340 0.022 0.000 0.234 81 R C 2.722 178.971 176.300 -0.085 0.000 1.134 81 R CA 1.472 57.543 56.100 -0.049 0.000 0.952 81 R CB -0.800 29.483 30.300 -0.028 0.000 0.850 81 R HN 0.390 nan 8.270 nan 0.000 0.433 82 C N -0.125 119.093 119.300 -0.138 0.000 2.425 82 C HA -0.077 4.396 4.460 0.022 0.000 0.277 82 C C 2.717 177.595 174.990 -0.187 0.000 1.280 82 C CA 0.985 59.905 59.018 -0.163 0.000 1.744 82 C CB -0.861 26.747 27.740 -0.221 0.000 1.989 82 C HN 0.548 nan 8.230 nan 0.000 0.491 83 T N 0.296 114.677 114.554 -0.288 0.000 2.777 83 T HA -0.200 4.164 4.350 0.022 0.000 0.266 83 T C 1.855 176.452 174.700 -0.172 0.000 1.040 83 T CA 1.395 63.353 62.100 -0.236 0.000 1.141 83 T CB -0.258 68.396 68.868 -0.356 0.000 0.868 83 T HN 0.638 nan 8.240 nan 0.000 0.444 84 Q N 0.466 120.193 119.800 -0.121 0.000 2.079 84 Q HA -0.097 4.256 4.340 0.022 0.000 0.200 84 Q C 2.416 178.396 176.000 -0.033 0.000 0.974 84 Q CA 1.237 57.011 55.803 -0.049 0.000 0.840 84 Q CB -0.062 28.728 28.738 0.086 0.000 0.898 84 Q HN 0.603 nan 8.270 nan 0.000 0.430 85 E N 0.242 120.429 120.200 -0.021 0.000 2.077 85 E HA -0.204 4.159 4.350 0.022 0.000 0.193 85 E C 1.901 178.489 176.600 -0.019 0.000 0.989 85 E CA 0.745 57.147 56.400 0.003 0.000 0.800 85 E CB -0.027 29.671 29.700 -0.004 0.000 0.746 85 E HN 0.141 nan 8.360 nan 0.000 0.452 86 L N 0.749 121.945 121.223 -0.045 0.000 2.083 86 L HA -0.160 4.194 4.340 0.022 0.000 0.209 86 L C 1.931 178.758 176.870 -0.072 0.000 1.083 86 L CA 1.473 56.300 54.840 -0.022 0.000 0.752 86 L CB -0.175 41.893 42.059 0.015 0.000 0.899 86 L HN 0.131 nan 8.230 nan 0.000 0.433 87 L N -2.547 118.545 121.223 -0.218 0.000 2.084 87 L HA -0.099 4.254 4.340 0.022 0.000 0.202 87 L C 1.947 178.556 176.870 -0.435 0.000 1.074 87 L CA 0.898 55.490 54.840 -0.413 0.000 0.757 87 L CB -0.416 41.114 42.059 -0.883 0.000 0.918 87 L HN 0.142 nan 8.230 nan 0.000 0.444 88 F N -0.260 119.682 119.950 -0.013 0.000 2.714 88 F HA 0.406 4.947 4.527 0.023 0.000 0.294 88 F C 1.141 176.929 175.800 -0.020 0.000 1.120 88 F CA 0.084 58.064 58.000 -0.033 0.000 1.398 88 F CB -0.261 38.715 39.000 -0.040 0.000 1.120 88 F HN 0.073 nan 8.300 nan 0.000 0.589 89 G N 0.398 109.269 108.800 0.119 0.000 2.906 89 G HA2 -0.161 3.812 3.960 0.022 0.000 0.686 89 G HA3 -0.161 3.812 3.960 0.022 0.000 0.686 89 G C 0.245 175.186 174.900 0.069 0.000 1.170 89 G CA -0.704 44.442 45.100 0.077 0.000 0.775 89 G HN 0.081 nan 8.290 nan 0.000 0.630 90 K N 0.697 121.122 120.400 0.043 0.000 2.071 90 K HA -0.134 4.199 4.320 0.022 0.000 0.217 90 K C 2.306 178.925 176.600 0.031 0.000 1.054 90 K CA 2.547 58.853 56.287 0.032 0.000 0.937 90 K CB -0.113 32.399 32.500 0.021 0.000 0.719 90 K HN 1.123 nan 8.250 nan 0.000 0.454 91 G N -0.094 108.723 108.800 0.029 0.000 3.936 91 G HA2 0.103 4.076 3.960 0.022 0.000 0.296 91 G HA3 0.103 4.076 3.960 0.022 0.000 0.296 91 G C -0.420 174.492 174.900 0.020 0.000 1.121 91 G CA -0.374 44.738 45.100 0.020 0.000 0.899 91 G HN 0.194 nan 8.290 nan 0.000 0.542 92 S N -0.118 115.604 115.700 0.037 0.000 2.558 92 S HA 0.323 4.806 4.470 0.022 0.000 0.287 92 S C 1.892 176.483 174.600 -0.014 0.000 1.321 92 S CA 0.363 58.579 58.200 0.025 0.000 1.048 92 S CB 0.980 64.226 63.200 0.076 0.000 0.844 92 S HN 0.577 nan 8.310 nan 0.000 0.512 93 A N 4.599 127.395 122.820 -0.040 0.000 2.014 93 A HA 0.085 4.418 4.320 0.022 0.000 0.218 93 A C 2.080 179.613 177.584 -0.085 0.000 1.163 93 A CA 0.916 52.921 52.037 -0.053 0.000 0.652 93 A CB -0.595 18.373 19.000 -0.052 0.000 0.808 93 A HN 0.860 nan 8.150 nan 0.000 0.449 94 L N -0.532 120.602 121.223 -0.148 0.000 2.083 94 L HA -0.176 4.177 4.340 0.022 0.000 0.209 94 L C 2.402 179.191 176.870 -0.135 0.000 1.083 94 L CA 1.207 55.916 54.840 -0.219 0.000 0.752 94 L CB -0.545 41.212 42.059 -0.504 0.000 0.899 94 L HN 0.389 nan 8.230 nan 0.000 0.433 95 I N -0.335 120.191 120.570 -0.073 0.000 2.233 95 I HA -0.230 3.953 4.170 0.022 0.000 0.243 95 I C 2.228 178.330 176.117 -0.025 0.000 1.093 95 I CA 0.933 62.222 61.300 -0.019 0.000 1.380 95 I CB -0.431 37.587 38.000 0.030 0.000 1.067 95 I HN 0.327 nan 8.210 nan 0.000 0.413 96 N N 1.054 119.739 118.700 -0.025 0.000 2.120 96 N HA -0.171 4.582 4.740 0.022 0.000 0.188 96 N C 1.181 176.675 175.510 -0.027 0.000 1.024 96 N CA 1.417 54.454 53.050 -0.021 0.000 0.852 96 N CB -0.405 38.071 38.487 -0.018 0.000 1.003 96 N HN 0.337 nan 8.380 nan 0.000 0.424 97 D N 0.802 121.179 120.400 -0.039 0.000 2.363 97 D HA 0.012 4.665 4.640 0.022 0.000 0.226 97 D C 0.090 176.367 176.300 -0.039 0.000 1.020 97 D CA 0.233 54.211 54.000 -0.037 0.000 0.892 97 D CB 0.038 40.812 40.800 -0.043 0.000 0.900 97 D HN 0.234 nan 8.370 nan 0.000 0.531 98 K N -0.154 120.219 120.400 -0.044 0.000 3.096 98 K HA -0.229 4.104 4.320 0.022 0.000 0.266 98 K C 0.614 177.180 176.600 -0.057 0.000 1.043 98 K CA 0.196 56.455 56.287 -0.046 0.000 0.758 98 K CB -1.071 31.409 32.500 -0.032 0.000 1.260 98 K HN 0.216 nan 8.250 nan 0.000 0.481 99 R N -0.353 120.102 120.500 -0.076 0.000 2.334 99 R HA 0.202 4.556 4.340 0.022 0.000 0.216 99 R C 0.488 176.731 176.300 -0.095 0.000 0.905 99 R CA 0.559 56.612 56.100 -0.079 0.000 1.064 99 R CB 0.742 30.986 30.300 -0.092 0.000 1.046 99 R HN 0.281 nan 8.270 nan 0.000 0.508 100 A N 1.091 123.848 122.820 -0.105 0.000 2.365 100 A HA 0.680 5.013 4.320 0.022 0.000 0.318 100 A C -0.728 176.757 177.584 -0.164 0.000 1.091 100 A CA -0.771 51.210 52.037 -0.095 0.000 0.763 100 A CB 1.234 20.221 19.000 -0.021 0.000 1.248 100 A HN -0.029 nan 8.150 nan 0.000 0.442 101 R N 0.931 121.264 120.500 -0.279 0.000 2.561 101 R HA 0.677 5.030 4.340 0.022 0.000 0.297 101 R C -1.244 174.745 176.300 -0.518 0.000 0.969 101 R CA -0.358 55.352 56.100 -0.650 0.000 0.879 101 R CB 1.750 31.239 30.300 -1.351 0.000 1.178 101 R HN 0.733 nan 8.270 nan 0.000 0.445 102 T N 1.157 115.506 114.554 -0.342 0.000 2.824 102 T HA 0.697 5.060 4.350 0.022 0.000 0.282 102 T C -0.705 174.141 174.700 0.243 0.000 0.993 102 T CA -0.611 61.491 62.100 0.002 0.000 0.967 102 T CB 1.912 70.807 68.868 0.045 0.000 0.960 102 T HN 0.572 nan 8.240 nan 0.000 0.441 103 A N 2.954 126.010 122.820 0.394 0.000 2.318 103 A HA 0.600 4.933 4.320 0.022 0.000 0.317 103 A C -0.018 177.756 177.584 0.317 0.000 1.159 103 A CA -0.734 51.548 52.037 0.409 0.000 0.799 103 A CB 0.902 20.111 19.000 0.349 0.000 1.194 103 A HN 0.785 nan 8.150 nan 0.000 0.479 104 Q N 1.603 121.569 119.800 0.277 0.000 2.337 104 Q HA 0.397 4.750 4.340 0.022 0.000 0.270 104 Q C 0.017 176.086 176.000 0.115 0.000 1.002 104 Q CA 0.536 56.437 55.803 0.163 0.000 0.888 104 Q CB 0.494 29.136 28.738 -0.160 0.000 1.222 104 Q HN 0.842 nan 8.270 nan 0.000 0.400 105 T N 0.571 115.173 114.554 0.080 0.000 2.901 105 T HA 0.577 4.940 4.350 0.022 0.000 0.293 105 T C -2.695 171.937 174.700 -0.113 0.000 1.084 105 T CA -2.022 60.097 62.100 0.032 0.000 1.008 105 T CB 1.846 70.782 68.868 0.114 0.000 1.170 105 T HN 0.479 nan 8.240 nan 0.000 0.509 106 P HA 0.407 nan 4.420 nan 0.000 0.244 106 P C 0.708 177.943 177.300 -0.107 0.000 1.769 106 P CA 0.627 63.577 63.100 -0.250 0.000 1.102 106 P CB -0.541 30.903 31.700 -0.428 0.000 1.937 107 G N 2.469 111.242 108.800 -0.046 0.000 2.795 107 G HA2 -0.129 3.844 3.960 0.022 0.000 0.664 107 G HA3 -0.129 3.844 3.960 0.022 0.000 0.664 107 G C 0.856 175.766 174.900 0.018 0.000 1.381 107 G CA -0.501 44.598 45.100 -0.001 0.000 0.853 107 G HN 0.412 nan 8.290 nan 0.000 0.545 108 G N -1.366 107.439 108.800 0.008 0.000 2.422 108 G HA2 0.110 4.083 3.960 0.022 0.000 0.218 108 G HA3 0.110 4.083 3.960 0.022 0.000 0.218 108 G C 1.821 176.758 174.900 0.063 0.000 1.140 108 G CA 2.337 47.442 45.100 0.008 0.000 0.775 108 G HN 1.214 nan 8.290 nan 0.000 0.545 109 T N 0.965 115.572 114.554 0.088 0.000 2.777 109 T HA -0.027 4.336 4.350 0.022 0.000 0.266 109 T C 2.507 177.246 174.700 0.065 0.000 1.040 109 T CA 1.348 63.522 62.100 0.124 0.000 1.141 109 T CB -0.462 68.487 68.868 0.135 0.000 0.868 109 T HN 0.334 nan 8.240 nan 0.000 0.444 110 G N 1.053 109.879 108.800 0.042 0.000 2.422 110 G HA2 -0.036 3.937 3.960 0.022 0.000 0.218 110 G HA3 -0.036 3.937 3.960 0.022 0.000 0.218 110 G C 1.808 176.761 174.900 0.089 0.000 1.146 110 G CA 0.871 45.996 45.100 0.041 0.000 0.769 110 G HN 0.573 nan 8.290 nan 0.000 0.547 111 A N 0.640 123.514 122.820 0.089 0.000 1.902 111 A HA 0.092 4.425 4.320 0.022 0.000 0.217 111 A C 2.422 180.082 177.584 0.126 0.000 1.181 111 A CA 1.243 53.351 52.037 0.120 0.000 0.623 111 A CB -0.393 18.675 19.000 0.113 0.000 0.818 111 A HN 0.355 nan 8.150 nan 0.000 0.443 112 L N -1.145 120.141 121.223 0.105 0.000 2.046 112 L HA -0.182 4.171 4.340 0.022 0.000 0.208 112 L C 2.753 179.632 176.870 0.015 0.000 1.077 112 L CA 1.615 56.501 54.840 0.077 0.000 0.747 112 L CB -0.432 41.648 42.059 0.036 0.000 0.896 112 L HN 0.361 nan 8.230 nan 0.000 0.432 113 R N 0.352 120.860 120.500 0.013 0.000 2.073 113 R HA -0.114 4.239 4.340 0.022 0.000 0.234 113 R C 2.051 178.407 176.300 0.093 0.000 1.134 113 R CA 1.736 57.846 56.100 0.018 0.000 0.952 113 R CB -1.009 29.311 30.300 0.034 0.000 0.850 113 R HN 0.107 nan 8.270 nan 0.000 0.433 114 V N 1.067 121.059 119.914 0.131 0.000 2.332 114 V HA -0.234 3.899 4.120 0.022 0.000 0.248 114 V C 2.403 178.613 176.094 0.195 0.000 1.055 114 V CA 2.026 64.415 62.300 0.149 0.000 1.038 114 V CB -1.072 30.841 31.823 0.151 0.000 0.651 114 V HN 0.543 nan 8.190 nan 0.000 0.450 115 A N -0.077 122.869 122.820 0.209 0.000 1.902 115 A HA -0.131 4.202 4.320 0.022 0.000 0.217 115 A C 2.437 180.236 177.584 0.359 0.000 1.181 115 A CA 2.182 54.397 52.037 0.296 0.000 0.623 115 A CB -0.828 18.345 19.000 0.289 0.000 0.818 115 A HN 0.578 nan 8.150 nan 0.000 0.443 116 A N 0.021 123.021 122.820 0.301 0.000 1.877 116 A HA -0.193 4.140 4.320 0.022 0.000 0.216 116 A C 1.794 179.501 177.584 0.206 0.000 1.186 116 A CA 1.936 54.159 52.037 0.309 0.000 0.620 116 A CB -0.626 18.506 19.000 0.220 0.000 0.822 116 A HN 0.462 nan 8.150 nan 0.000 0.443 117 D N -1.076 119.423 120.400 0.165 0.000 2.117 117 D HA -0.130 4.523 4.640 0.022 0.000 0.197 117 D C 1.622 178.002 176.300 0.133 0.000 0.987 117 D CA 1.334 55.404 54.000 0.118 0.000 0.829 117 D CB -0.490 40.366 40.800 0.094 0.000 0.961 117 D HN 0.483 nan 8.370 nan 0.000 0.460 118 F N 1.429 121.416 119.950 0.062 0.000 2.095 118 F HA -0.147 4.394 4.527 0.023 0.000 0.298 118 F C 2.062 177.903 175.800 0.068 0.000 1.104 118 F CA 1.199 59.233 58.000 0.057 0.000 1.232 118 F CB -0.379 38.664 39.000 0.073 0.000 0.987 118 F HN -0.114 nan 8.300 nan 0.000 0.475 119 L N 0.060 121.262 121.223 -0.036 0.000 2.005 119 L HA -0.174 4.180 4.340 0.022 0.000 0.207 119 L C 2.881 179.672 176.870 -0.131 0.000 1.072 119 L CA 1.263 56.021 54.840 -0.138 0.000 0.744 119 L CB -1.293 40.818 42.059 0.087 0.000 0.895 119 L HN 0.265 nan 8.230 nan 0.000 0.433 120 A N 0.171 122.971 122.820 -0.033 0.000 1.940 120 A HA -0.227 4.106 4.320 0.022 0.000 0.219 120 A C 2.268 179.815 177.584 -0.062 0.000 1.176 120 A CA 1.864 53.885 52.037 -0.027 0.000 0.631 120 A CB -0.312 18.698 19.000 0.016 0.000 0.814 120 A HN 0.381 nan 8.150 nan 0.000 0.446 121 K N -0.916 119.432 120.400 -0.087 0.000 2.262 121 K HA 0.077 4.410 4.320 0.022 0.000 0.200 121 K C 0.643 177.164 176.600 -0.133 0.000 1.049 121 K CA 0.853 57.089 56.287 -0.086 0.000 0.979 121 K CB 0.107 32.574 32.500 -0.054 0.000 0.773 121 K HN 0.394 nan 8.250 nan 0.000 0.474 122 N N 0.717 119.264 118.700 -0.256 0.000 2.184 122 N HA 0.003 4.756 4.740 0.022 0.000 0.206 122 N C 0.100 175.467 175.510 -0.237 0.000 1.151 122 N CA 0.391 53.277 53.050 -0.273 0.000 0.878 122 N CB 1.289 39.522 38.487 -0.423 0.000 1.014 122 N HN 0.209 nan 8.380 nan 0.000 0.512 123 T N -2.663 111.768 114.554 -0.205 0.000 2.804 123 T HA 0.284 4.647 4.350 0.022 0.000 0.290 123 T C 0.834 175.497 174.700 -0.061 0.000 1.099 123 T CA -0.573 61.458 62.100 -0.116 0.000 1.011 123 T CB 1.510 70.312 68.868 -0.110 0.000 1.291 123 T HN -0.075 nan 8.240 nan 0.000 0.523 124 S N -0.475 115.211 115.700 -0.022 0.000 2.575 124 S HA 0.225 4.708 4.470 0.022 0.000 0.215 124 S C 0.657 175.259 174.600 0.003 0.000 0.966 124 S CA -0.462 57.735 58.200 -0.005 0.000 0.911 124 S CB -0.634 62.573 63.200 0.012 0.000 0.780 124 S HN 0.682 nan 8.310 nan 0.000 0.514 125 V N 3.183 123.096 119.914 -0.000 0.000 2.644 125 V HA 0.123 4.256 4.120 0.022 0.000 0.305 125 V C 0.425 176.514 176.094 -0.009 0.000 1.053 125 V CA 0.512 62.816 62.300 0.006 0.000 1.186 125 V CB -0.052 31.772 31.823 0.002 0.000 0.895 125 V HN 0.381 nan 8.190 nan 0.000 0.490 134 W N 4.541 125.668 121.300 -0.288 0.000 2.349 134 W HA 0.734 5.407 4.660 0.022 0.000 0.309 134 W C 0.035 176.479 176.519 -0.125 0.000 1.083 134 W CA -0.628 56.619 57.345 -0.164 0.000 1.224 134 W CB 1.869 31.234 29.460 -0.159 0.000 1.256 134 W HN 0.576 nan 8.180 nan 0.000 0.461 135 V N 1.087 120.990 119.914 -0.018 0.000 2.864 135 V HA 0.751 4.884 4.120 0.022 0.000 0.314 135 V C 0.232 175.923 176.094 -0.673 0.000 1.073 135 V CA -1.207 60.968 62.300 -0.207 0.000 0.956 135 V CB 1.208 32.981 31.823 -0.085 0.000 1.023 135 V HN 0.520 nan 8.190 nan 0.000 0.435 136 S N 2.187 117.361 115.700 -0.876 0.000 2.593 136 S HA 0.450 4.933 4.470 0.022 0.000 0.269 136 S C -0.202 174.177 174.600 -0.368 0.000 1.334 136 S CA -0.046 57.558 58.200 -0.993 0.000 1.015 136 S CB 0.529 63.340 63.200 -0.649 0.000 0.912 136 S HN 1.354 nan 8.310 nan 0.000 0.541 137 N N 1.582 120.152 118.700 -0.217 0.000 2.500 137 N HA 0.472 5.225 4.740 0.022 0.000 0.291 137 N C -2.933 172.613 175.510 0.060 0.000 1.092 137 N CA -1.613 51.408 53.050 -0.048 0.000 0.890 137 N CB 1.796 40.272 38.487 -0.018 0.000 1.466 137 N HN 0.493 nan 8.380 nan 0.000 0.507 138 P HA 0.357 nan 4.420 nan 0.000 0.272 138 P C -0.187 177.085 177.300 -0.046 0.000 1.230 138 P CA -0.014 63.083 63.100 -0.005 0.000 0.788 138 P CB 1.388 33.054 31.700 -0.056 0.000 0.949 139 G N -0.420 108.342 108.800 -0.063 0.000 2.753 139 G HA2 0.355 4.328 3.960 0.022 0.000 0.303 139 G HA3 0.355 4.328 3.960 0.022 0.000 0.303 139 G C -2.301 172.630 174.900 0.052 0.000 1.242 139 G CA -0.632 44.454 45.100 -0.024 0.000 0.810 139 G HN 0.493 nan 8.290 nan 0.000 0.515 140 W N 3.167 124.431 121.300 -0.060 0.000 2.291 140 W HA 0.540 5.213 4.660 0.021 0.000 0.312 140 W C -1.212 175.225 176.519 -0.138 0.000 1.061 140 W CA -2.664 54.583 57.345 -0.163 0.000 1.296 140 W CB 1.492 30.773 29.460 -0.298 0.000 1.223 140 W HN 0.367 nan 8.180 nan 0.000 0.421 141 P HA -0.257 nan 4.420 nan 0.000 0.217 141 P C 1.251 178.252 177.300 -0.499 0.000 1.151 141 P CA 2.298 65.195 63.100 -0.339 0.000 0.849 141 P CB -0.009 31.517 31.700 -0.289 0.000 0.787 142 T N -1.222 112.710 114.554 -1.036 0.000 2.849 142 T HA -0.168 4.195 4.350 0.022 0.000 0.270 142 T C 1.600 175.953 174.700 -0.577 0.000 1.066 142 T CA 1.334 62.819 62.100 -1.025 0.000 1.130 142 T CB -0.894 66.857 68.868 -1.862 0.000 0.864 142 T HN 0.431 nan 8.240 nan 0.000 0.481 143 H N 0.520 119.394 119.070 -0.326 0.000 2.293 143 H HA -0.013 4.557 4.556 0.022 0.000 0.300 143 H C 2.584 177.929 175.328 0.030 0.000 1.082 143 H CA 1.360 57.400 56.048 -0.014 0.000 1.308 143 H CB 0.082 29.989 29.762 0.242 0.000 1.375 143 H HN 0.214 nan 8.280 nan 0.000 0.495 144 K N 0.494 120.974 120.400 0.133 0.000 2.026 144 K HA -0.148 4.185 4.320 0.022 0.000 0.208 144 K C 2.400 179.005 176.600 0.007 0.000 1.048 144 K CA 1.573 57.913 56.287 0.088 0.000 0.929 144 K CB 0.039 32.541 32.500 0.004 0.000 0.713 144 K HN 0.108 nan 8.250 nan 0.000 0.439 145 S N 0.432 116.076 115.700 -0.093 0.000 2.365 145 S HA -0.161 4.322 4.470 0.022 0.000 0.225 145 S C 1.982 176.505 174.600 -0.129 0.000 1.039 145 S CA 1.609 59.735 58.200 -0.122 0.000 1.033 145 S CB -0.331 62.758 63.200 -0.184 0.000 0.887 145 S HN 0.140 nan 8.310 nan 0.000 0.447 146 V N 1.008 120.794 119.914 -0.213 0.000 2.307 146 V HA -0.141 3.992 4.120 0.022 0.000 0.245 146 V C 2.007 177.945 176.094 -0.260 0.000 1.045 146 V CA 1.720 63.847 62.300 -0.287 0.000 1.024 146 V CB -0.867 30.687 31.823 -0.448 0.000 0.651 146 V HN 0.378 nan 8.190 nan 0.000 0.449 147 F N 0.793 120.746 119.950 0.005 0.000 2.146 147 F HA -0.095 4.445 4.527 0.023 0.000 0.298 147 F C 2.238 178.023 175.800 -0.025 0.000 1.096 147 F CA 1.521 59.517 58.000 -0.006 0.000 1.275 147 F CB -1.153 37.835 39.000 -0.021 0.000 1.008 147 F HN 0.191 nan 8.300 nan 0.000 0.480 148 N N -0.228 118.542 118.700 0.117 0.000 2.166 148 N HA -0.189 4.564 4.740 0.022 0.000 0.186 148 N C 1.965 177.486 175.510 0.018 0.000 1.019 148 N CA 1.352 54.428 53.050 0.044 0.000 0.856 148 N CB -0.209 38.281 38.487 0.005 0.000 0.993 148 N HN 0.263 nan 8.380 nan 0.000 0.426 149 S N 0.270 115.967 115.700 -0.004 0.000 2.447 149 S HA 0.006 4.489 4.470 0.022 0.000 0.233 149 S C 1.720 176.323 174.600 0.005 0.000 1.006 149 S CA 0.785 58.978 58.200 -0.013 0.000 0.957 149 S CB -0.019 63.159 63.200 -0.036 0.000 0.773 149 S HN 0.315 nan 8.310 nan 0.000 0.507 150 A N 0.404 123.242 122.820 0.030 0.000 2.275 150 A HA 0.607 4.940 4.320 0.022 0.000 0.212 150 A C 1.614 179.222 177.584 0.041 0.000 1.201 150 A CA 0.381 52.446 52.037 0.046 0.000 0.843 150 A CB -0.854 18.198 19.000 0.086 0.000 0.873 150 A HN 1.535 nan 8.150 nan 0.000 0.492 151 G N -1.183 107.637 108.800 0.033 0.000 2.131 151 G HA2 -0.179 3.794 3.960 0.022 0.000 0.223 151 G HA3 -0.179 3.794 3.960 0.022 0.000 0.223 151 G C 0.034 174.944 174.900 0.017 0.000 0.990 151 G CA 0.361 45.471 45.100 0.018 0.000 0.671 151 G HN 0.404 nan 8.290 nan 0.000 0.521 155 V N 2.095 121.895 119.914 -0.190 0.000 2.417 155 V HA 0.613 4.746 4.120 0.022 0.000 0.291 155 V C -0.282 175.592 176.094 -0.366 0.000 1.024 155 V CA -0.788 61.358 62.300 -0.257 0.000 0.861 155 V CB 1.348 33.103 31.823 -0.115 0.000 0.985 155 V HN 0.557 nan 8.190 nan 0.000 0.436 156 R N 2.888 123.015 120.500 -0.621 0.000 2.637 156 R HA 0.619 4.972 4.340 0.022 0.000 0.291 156 R C -0.583 175.431 176.300 -0.476 0.000 0.963 156 R CA -0.683 54.941 56.100 -0.794 0.000 0.901 156 R CB 2.255 31.475 30.300 -1.801 0.000 1.160 156 R HN 0.739 nan 8.270 nan 0.000 0.457 157 E N 1.754 121.848 120.200 -0.176 0.000 2.214 157 E HA 0.319 4.683 4.350 0.022 0.000 0.274 157 E C -0.939 175.843 176.600 0.303 0.000 0.977 157 E CA -0.731 55.676 56.400 0.013 0.000 0.827 157 E CB 1.520 31.197 29.700 -0.039 0.000 1.130 157 E HN 0.429 nan 8.360 nan 0.000 0.394 158 Y N -0.341 120.105 120.300 0.243 0.000 2.446 158 Y HA 0.733 5.296 4.550 0.022 0.000 0.345 158 Y C -0.270 175.714 175.900 0.140 0.000 0.984 158 Y CA -1.633 56.581 58.100 0.191 0.000 1.058 158 Y CB 0.672 39.188 38.460 0.093 0.000 1.220 158 Y HN 0.511 nan 8.280 nan 0.000 0.455 159 A N 2.447 125.457 122.820 0.316 0.000 2.448 159 A HA 0.324 4.657 4.320 0.022 0.000 0.239 159 A C -0.562 177.252 177.584 0.382 0.000 1.080 159 A CA 0.520 52.705 52.037 0.246 0.000 0.779 159 A CB -0.098 18.995 19.000 0.155 0.000 1.026 159 A HN 1.133 nan 8.150 nan 0.000 0.499 160 Y N -0.639 119.742 120.300 0.134 0.000 2.510 160 Y HA 0.210 4.774 4.550 0.022 0.000 0.285 160 Y C -0.571 175.408 175.900 0.132 0.000 1.089 160 Y CA -0.050 58.125 58.100 0.124 0.000 1.007 160 Y CB 0.176 38.662 38.460 0.044 0.000 1.372 160 Y HN 0.664 nan 8.280 nan 0.000 0.563 161 Y N 2.422 122.766 120.300 0.073 0.000 2.360 161 Y HA 0.461 5.024 4.550 0.023 0.000 0.337 161 Y C -0.740 175.148 175.900 -0.020 0.000 1.039 161 Y CA -1.516 56.587 58.100 0.005 0.000 1.109 161 Y CB 1.046 39.586 38.460 0.133 0.000 1.201 161 Y HN 0.069 nan 8.280 nan 0.000 0.458 162 D N 4.627 124.721 120.400 -0.509 0.000 2.479 162 D HA 0.276 4.929 4.640 0.022 0.000 0.218 162 D C 0.675 176.454 176.300 -0.868 0.000 1.131 162 D CA 0.237 53.942 54.000 -0.492 0.000 0.916 162 D CB 0.935 41.515 40.800 -0.366 0.000 1.022 162 D HN 0.771 nan 8.370 nan 0.000 0.515 163 A N 3.743 126.193 122.820 -0.617 0.000 2.024 163 A HA -0.183 4.151 4.320 0.022 0.000 0.220 163 A C 1.846 179.011 177.584 -0.700 0.000 1.164 163 A CA 1.287 52.996 52.037 -0.546 0.000 0.643 163 A CB -0.163 18.764 19.000 -0.122 0.000 0.806 163 A HN 0.628 nan 8.150 nan 0.000 0.451 164 E N -0.827 119.045 120.200 -0.546 0.000 2.122 164 E HA -0.085 4.279 4.350 0.022 0.000 0.190 164 E C 1.164 177.416 176.600 -0.580 0.000 0.977 164 E CA 1.101 57.212 56.400 -0.481 0.000 0.820 164 E CB -0.057 29.482 29.700 -0.268 0.000 0.770 164 E HN 0.656 nan 8.360 nan 0.000 0.462 165 N N -0.533 117.844 118.700 -0.539 0.000 2.254 165 N HA 0.012 4.765 4.740 0.022 0.000 0.190 165 N C -0.841 174.462 175.510 -0.344 0.000 1.107 165 N CA 0.138 52.972 53.050 -0.360 0.000 0.869 165 N CB 0.498 38.856 38.487 -0.214 0.000 0.983 165 N HN 0.097 nan 8.380 nan 0.000 0.487 166 H N -0.465 118.324 119.070 -0.468 0.000 2.819 166 H HA -0.128 4.441 4.556 0.022 0.000 0.323 166 H C -0.339 174.890 175.328 -0.165 0.000 1.243 166 H CA 1.262 57.053 56.048 -0.428 0.000 1.163 166 H CB -2.284 27.206 29.762 -0.454 0.000 1.493 166 H HN 0.412 nan 8.280 nan 0.000 0.434 167 T N -2.885 111.535 114.554 -0.223 0.000 2.787 167 T HA 0.562 4.926 4.350 0.022 0.000 0.297 167 T C 0.118 174.749 174.700 -0.116 0.000 1.221 167 T CA -1.160 60.902 62.100 -0.063 0.000 1.006 167 T CB 2.634 71.459 68.868 -0.072 0.000 1.328 167 T HN 0.191 nan 8.240 nan 0.000 0.509 168 L N 1.796 122.957 121.223 -0.104 0.000 2.369 168 L HA 0.298 4.651 4.340 0.022 0.000 0.279 168 L C -0.099 176.673 176.870 -0.164 0.000 1.108 168 L CA -0.253 54.443 54.840 -0.241 0.000 0.852 168 L CB 0.323 42.199 42.059 -0.305 0.000 1.169 168 L HN 0.754 nan 8.230 nan 0.000 0.452 169 D N 4.634 124.934 120.400 -0.167 0.000 2.508 169 D HA -0.072 4.581 4.640 0.022 0.000 0.224 169 D C 0.869 177.163 176.300 -0.011 0.000 1.171 169 D CA -0.026 53.928 54.000 -0.077 0.000 1.006 169 D CB 0.388 41.144 40.800 -0.074 0.000 1.073 169 D HN 0.512 nan 8.370 nan 0.000 0.513 170 F N 2.658 122.526 119.950 -0.136 0.000 2.134 170 F HA -0.184 4.356 4.527 0.022 0.000 0.299 170 F C 1.783 177.553 175.800 -0.051 0.000 1.097 170 F CA 1.252 59.191 58.000 -0.101 0.000 1.264 170 F CB 0.256 39.200 39.000 -0.093 0.000 1.001 170 F HN 0.310 nan 8.300 nan 0.000 0.479 171 D N 0.076 120.478 120.400 0.004 0.000 2.104 171 D HA -0.186 4.467 4.640 0.022 0.000 0.194 171 D C 2.336 178.576 176.300 -0.099 0.000 0.994 171 D CA 1.563 55.524 54.000 -0.066 0.000 0.830 171 D CB -0.525 40.271 40.800 -0.007 0.000 0.959 171 D HN 0.364 nan 8.370 nan 0.000 0.452 172 A N 1.046 123.830 122.820 -0.059 0.000 1.969 172 A HA -0.094 4.239 4.320 0.022 0.000 0.218 172 A C 2.260 179.822 177.584 -0.036 0.000 1.169 172 A CA 0.637 52.655 52.037 -0.031 0.000 0.635 172 A CB -0.639 18.362 19.000 0.001 0.000 0.810 172 A HN 0.248 nan 8.150 nan 0.000 0.445 173 L N -0.404 120.770 121.223 -0.081 0.000 2.005 173 L HA -0.140 4.213 4.340 0.022 0.000 0.207 173 L C 2.281 179.031 176.870 -0.200 0.000 1.072 173 L CA 1.336 56.129 54.840 -0.079 0.000 0.744 173 L CB -0.249 41.747 42.059 -0.105 0.000 0.895 173 L HN 0.275 nan 8.230 nan 0.000 0.433 174 I N 0.504 120.869 120.570 -0.342 0.000 2.163 174 I HA -0.338 3.845 4.170 0.022 0.000 0.243 174 I C 2.442 178.471 176.117 -0.146 0.000 1.085 174 I CA 1.572 62.705 61.300 -0.278 0.000 1.347 174 I CB -1.788 36.002 38.000 -0.349 0.000 1.044 174 I HN 0.531 nan 8.210 nan 0.000 0.408 175 N N 0.581 119.209 118.700 -0.120 0.000 2.149 175 N HA -0.195 4.559 4.740 0.022 0.000 0.188 175 N C 2.013 177.486 175.510 -0.062 0.000 1.019 175 N CA 1.819 54.828 53.050 -0.069 0.000 0.857 175 N CB 0.096 38.556 38.487 -0.045 0.000 0.997 175 N HN 0.248 nan 8.380 nan 0.000 0.426 176 S N 0.027 115.689 115.700 -0.062 0.000 2.368 176 S HA 0.035 4.518 4.470 0.022 0.000 0.224 176 S C 1.803 176.273 174.600 -0.217 0.000 1.029 176 S CA 0.348 58.521 58.200 -0.045 0.000 0.988 176 S CB -0.081 63.158 63.200 0.065 0.000 0.838 176 S HN 0.252 nan 8.310 nan 0.000 0.462 177 L N 2.111 123.147 121.223 -0.312 0.000 2.465 177 L HA 0.126 4.480 4.340 0.022 0.000 0.224 177 L C 1.683 178.371 176.870 -0.304 0.000 1.145 177 L CA 1.065 55.567 54.840 -0.564 0.000 0.834 177 L CB -1.917 39.813 42.059 -0.548 0.000 0.944 177 L HN 0.307 nan 8.230 nan 0.000 0.451 178 N N 0.165 118.792 118.700 -0.122 0.000 2.364 178 N HA -0.203 4.551 4.740 0.022 0.000 0.183 178 N C 1.677 177.159 175.510 -0.046 0.000 1.022 178 N CA 0.643 53.682 53.050 -0.019 0.000 0.883 178 N CB -0.002 38.475 38.487 -0.017 0.000 0.965 178 N HN 0.397 nan 8.380 nan 0.000 0.438 179 E N -0.181 119.933 120.200 -0.142 0.000 2.502 179 E HA 0.137 4.500 4.350 0.022 0.000 0.194 179 E C -0.411 176.143 176.600 -0.076 0.000 1.062 179 E CA -0.262 56.108 56.400 -0.050 0.000 0.867 179 E CB 0.156 29.890 29.700 0.056 0.000 0.888 179 E HN 0.266 nan 8.360 nan 0.000 0.510 180 A N 1.441 124.039 122.820 -0.369 0.000 2.362 180 A HA 0.224 4.557 4.320 0.022 0.000 0.276 180 A C -0.252 177.395 177.584 0.105 0.000 1.153 180 A CA -0.411 51.388 52.037 -0.397 0.000 0.813 180 A CB 0.473 18.714 19.000 -1.264 0.000 1.081 180 A HN 0.226 nan 8.150 nan 0.000 0.507 181 Q N 1.167 121.087 119.800 0.200 0.000 2.212 181 Q HA 0.573 4.927 4.340 0.022 0.000 0.238 181 Q C 0.285 176.463 176.000 0.297 0.000 0.955 181 Q CA -0.578 55.361 55.803 0.225 0.000 0.906 181 Q CB 1.267 30.108 28.738 0.172 0.000 1.215 181 Q HN 0.873 nan 8.270 nan 0.000 0.478 182 A N 0.401 123.360 122.820 0.232 0.000 2.511 182 A HA 0.423 4.756 4.320 0.022 0.000 0.242 182 A C 1.101 178.805 177.584 0.200 0.000 1.069 182 A CA 0.780 52.950 52.037 0.221 0.000 0.763 182 A CB -0.686 18.382 19.000 0.114 0.000 1.001 182 A HN 0.987 nan 8.150 nan 0.000 0.498 183 G N 1.782 110.714 108.800 0.219 0.000 2.194 183 G HA2 -0.172 3.801 3.960 0.022 0.000 0.236 183 G HA3 -0.172 3.801 3.960 0.022 0.000 0.236 183 G C -0.066 174.933 174.900 0.166 0.000 0.987 183 G CA 0.291 45.490 45.100 0.166 0.000 0.635 183 G HN 0.805 nan 8.290 nan 0.000 0.520 184 D N 0.168 120.695 120.400 0.212 0.000 2.313 184 D HA 0.532 5.186 4.640 0.022 0.000 0.247 184 D C 0.530 176.912 176.300 0.136 0.000 1.094 184 D CA -0.141 53.964 54.000 0.175 0.000 0.925 184 D CB 1.813 42.756 40.800 0.238 0.000 1.188 184 D HN 0.129 nan 8.370 nan 0.000 0.430 185 V N 1.996 121.949 119.914 0.064 0.000 2.439 185 V HA 0.299 4.432 4.120 0.022 0.000 0.282 185 V C 0.108 176.156 176.094 -0.076 0.000 1.039 185 V CA -0.583 61.714 62.300 -0.006 0.000 0.913 185 V CB 1.680 33.443 31.823 -0.100 0.000 0.983 185 V HN 0.218 nan 8.190 nan 0.000 0.460 186 V N 6.395 126.207 119.914 -0.170 0.000 2.409 186 V HA 0.445 4.578 4.120 0.022 0.000 0.291 186 V C -0.281 175.480 176.094 -0.555 0.000 1.020 186 V CA -0.526 61.529 62.300 -0.408 0.000 0.848 186 V CB 1.762 33.162 31.823 -0.706 0.000 0.990 186 V HN 0.714 nan 8.190 nan 0.000 0.430 187 L N 5.529 126.454 121.223 -0.497 0.000 2.275 187 L HA 0.673 5.026 4.340 0.022 0.000 0.288 187 L C -1.331 175.225 176.870 -0.522 0.000 1.046 187 L CA -0.088 54.479 54.840 -0.456 0.000 0.805 187 L CB 0.829 42.693 42.059 -0.326 0.000 1.193 187 L HN 0.488 nan 8.230 nan 0.000 0.426 188 F N 2.410 122.218 119.950 -0.236 0.000 2.522 188 F HA 0.445 4.985 4.527 0.021 0.000 0.324 188 F C 0.154 175.974 175.800 0.033 0.000 1.077 188 F CA -0.655 57.262 58.000 -0.139 0.000 0.944 188 F CB 1.346 39.981 39.000 -0.608 0.000 1.175 188 F HN 0.371 nan 8.300 nan 0.000 0.468 189 H N 1.218 120.485 119.070 0.329 0.000 2.604 189 H HA 0.173 4.742 4.556 0.022 0.000 0.306 189 H C 0.995 176.616 175.328 0.487 0.000 1.075 189 H CA 0.044 56.298 56.048 0.343 0.000 1.357 189 H CB 1.607 31.543 29.762 0.290 0.000 1.426 189 H HN 0.953 nan 8.280 nan 0.000 0.470 190 G N 3.043 112.145 108.800 0.503 0.000 2.476 190 G HA2 -0.214 3.759 3.960 0.022 0.000 0.218 190 G HA3 -0.214 3.759 3.960 0.022 0.000 0.218 190 G C 0.604 175.798 174.900 0.491 0.000 1.164 190 G CA 1.249 46.486 45.100 0.228 0.000 0.768 190 G HN 0.777 nan 8.290 nan 0.000 0.560 191 C N -5.362 114.338 119.300 0.667 0.000 3.275 191 C HA 0.521 4.994 4.460 0.022 0.000 0.340 191 C C 0.310 175.608 174.990 0.513 0.000 1.366 191 C CA -0.940 58.439 59.018 0.602 0.000 1.227 191 C CB 0.673 28.756 27.740 0.573 0.000 1.512 191 C HN 0.975 nan 8.230 nan 0.000 0.461 192 C N 2.478 122.007 119.300 0.382 0.000 3.690 192 C HA -0.120 4.353 4.460 0.022 0.000 0.295 192 C C 0.538 175.664 174.990 0.227 0.000 1.283 192 C CA 1.134 60.282 59.018 0.217 0.000 2.212 192 C CB -3.282 24.476 27.740 0.031 0.000 1.407 192 C HN 1.268 nan 8.230 nan 0.000 0.595 193 H N 1.810 120.996 119.070 0.194 0.000 3.167 193 H HA 0.020 4.590 4.556 0.022 0.000 0.306 193 H C 0.543 175.866 175.328 -0.008 0.000 0.965 193 H CA 1.526 57.604 56.048 0.051 0.000 1.408 193 H CB 0.409 30.138 29.762 -0.055 0.000 1.406 193 H HN 0.804 nan 8.280 nan 0.000 0.576 194 N N 6.466 124.908 118.700 -0.431 0.000 2.422 194 N HA 0.136 4.890 4.740 0.022 0.000 0.266 194 N C -1.931 173.230 175.510 -0.582 0.000 1.007 194 N CA -1.756 51.115 53.050 -0.299 0.000 0.941 194 N CB 1.267 39.694 38.487 -0.100 0.000 1.115 194 N HN 0.458 nan 8.380 nan 0.000 0.492 195 P HA 0.056 nan 4.420 nan 0.000 0.272 195 P C 1.007 178.040 177.300 -0.444 0.000 1.276 195 P CA 0.282 63.062 63.100 -0.533 0.000 0.871 195 P CB 0.361 31.594 31.700 -0.779 0.000 1.313 196 T N -3.261 111.089 114.554 -0.340 0.000 2.833 196 T HA -0.001 4.363 4.350 0.022 0.000 0.269 196 T C 1.785 176.558 174.700 0.121 0.000 1.054 196 T CA 1.672 63.641 62.100 -0.219 0.000 1.135 196 T CB -1.546 67.140 68.868 -0.303 0.000 0.869 196 T HN 0.208 nan 8.240 nan 0.000 0.466 197 G N 1.121 110.040 108.800 0.199 0.000 2.162 197 G HA2 -0.186 3.788 3.960 0.022 0.000 0.260 197 G HA3 -0.186 3.788 3.960 0.022 0.000 0.260 197 G C 0.019 175.073 174.900 0.256 0.000 0.976 197 G CA 0.176 45.411 45.100 0.226 0.000 0.655 197 G HN 0.617 nan 8.290 nan 0.000 0.533 198 I N 1.802 122.537 120.570 0.274 0.000 2.330 198 I HA 0.418 4.601 4.170 0.022 0.000 0.289 198 I C -0.485 175.785 176.117 0.255 0.000 1.001 198 I CA -1.010 60.437 61.300 0.245 0.000 1.193 198 I CB 1.132 39.274 38.000 0.238 0.000 1.345 198 I HN -0.038 nan 8.210 nan 0.000 0.461 199 D N 7.790 128.326 120.400 0.227 0.000 2.272 199 D HA 0.488 5.141 4.640 0.022 0.000 0.247 199 D C -2.317 174.012 176.300 0.048 0.000 0.990 199 D CA -1.311 52.831 54.000 0.237 0.000 0.931 199 D CB 1.497 42.506 40.800 0.348 0.000 1.195 199 D HN 0.175 nan 8.370 nan 0.000 0.477 200 P HA 0.101 nan 4.420 nan 0.000 0.272 200 P C 0.033 177.185 177.300 -0.247 0.000 1.223 200 P CA -0.188 62.638 63.100 -0.456 0.000 0.784 200 P CB 0.406 31.401 31.700 -1.174 0.000 0.923 201 T N -0.279 114.167 114.554 -0.179 0.000 2.816 201 T HA 0.101 4.465 4.350 0.022 0.000 0.282 201 T C 1.106 175.879 174.700 0.122 0.000 0.993 201 T CA -0.604 61.494 62.100 -0.003 0.000 0.994 201 T CB 0.259 69.092 68.868 -0.059 0.000 1.025 201 T HN 0.167 nan 8.240 nan 0.000 0.529 202 L N 0.759 122.108 121.223 0.210 0.000 2.042 202 L HA -0.037 4.317 4.340 0.022 0.000 0.210 202 L C 2.411 179.395 176.870 0.190 0.000 1.076 202 L CA 1.952 56.956 54.840 0.273 0.000 0.749 202 L CB -1.226 40.934 42.059 0.169 0.000 0.893 202 L HN 0.807 nan 8.230 nan 0.000 0.432 203 E N -0.552 119.688 120.200 0.067 0.000 2.110 203 E HA -0.218 4.145 4.350 0.022 0.000 0.193 203 E C 2.220 178.802 176.600 -0.031 0.000 0.988 203 E CA 1.460 57.867 56.400 0.011 0.000 0.804 203 E CB -0.259 29.416 29.700 -0.042 0.000 0.745 203 E HN 0.640 nan 8.360 nan 0.000 0.458 204 Q N -0.971 118.739 119.800 -0.150 0.000 2.079 204 Q HA -0.128 4.225 4.340 0.022 0.000 0.200 204 Q C 1.940 177.961 176.000 0.035 0.000 0.974 204 Q CA 1.185 56.794 55.803 -0.323 0.000 0.840 204 Q CB -0.293 28.038 28.738 -0.679 0.000 0.898 204 Q HN 0.420 nan 8.270 nan 0.000 0.430 205 W N 1.450 122.797 121.300 0.079 0.000 2.338 205 W HA -0.205 4.469 4.660 0.022 0.000 0.304 205 W C 2.341 178.935 176.519 0.126 0.000 1.212 205 W CA 0.821 58.279 57.345 0.188 0.000 1.264 205 W CB 0.093 29.671 29.460 0.196 0.000 1.142 205 W HN 0.240 nan 8.180 nan 0.000 0.512 206 Q N -0.917 119.060 119.800 0.296 0.000 2.119 206 Q HA -0.153 4.200 4.340 0.022 0.000 0.201 206 Q C 2.011 178.049 176.000 0.063 0.000 0.972 206 Q CA 1.919 57.795 55.803 0.122 0.000 0.847 206 Q CB -0.454 28.333 28.738 0.082 0.000 0.903 206 Q HN 0.191 nan 8.270 nan 0.000 0.433 207 T N 1.105 115.728 114.554 0.115 0.000 2.857 207 T HA -0.044 4.320 4.350 0.022 0.000 0.266 207 T C 1.819 176.602 174.700 0.139 0.000 1.048 207 T CA 0.686 62.864 62.100 0.129 0.000 1.139 207 T CB -0.068 68.938 68.868 0.230 0.000 0.874 207 T HN 0.164 nan 8.240 nan 0.000 0.455 208 L N 0.742 122.103 121.223 0.230 0.000 2.056 208 L HA -0.051 4.302 4.340 0.022 0.000 0.207 208 L C 3.064 179.926 176.870 -0.013 0.000 1.078 208 L CA 1.155 56.150 54.840 0.259 0.000 0.749 208 L CB -0.688 41.628 42.059 0.428 0.000 0.901 208 L HN 0.235 nan 8.230 nan 0.000 0.433 209 A N -0.147 122.403 122.820 -0.450 0.000 1.883 209 A HA -0.315 4.018 4.320 0.022 0.000 0.217 209 A C 2.190 179.553 177.584 -0.367 0.000 1.186 209 A CA 2.075 53.512 52.037 -1.000 0.000 0.624 209 A CB -0.649 17.847 19.000 -0.840 0.000 0.822 209 A HN 0.429 nan 8.150 nan 0.000 0.444 210 Q N -0.472 119.192 119.800 -0.227 0.000 2.045 210 Q HA -0.198 4.155 4.340 0.022 0.000 0.206 210 Q C 1.872 177.755 176.000 -0.195 0.000 0.991 210 Q CA 2.184 57.882 55.803 -0.175 0.000 0.851 210 Q CB -0.655 28.023 28.738 -0.100 0.000 0.911 210 Q HN 0.495 nan 8.270 nan 0.000 0.418 211 L N 0.067 121.191 121.223 -0.166 0.000 2.012 211 L HA -0.154 4.199 4.340 0.022 0.000 0.210 211 L C 2.418 178.983 176.870 -0.509 0.000 1.073 211 L CA 2.455 57.137 54.840 -0.262 0.000 0.748 211 L CB -1.312 40.651 42.059 -0.160 0.000 0.891 211 L HN 0.396 nan 8.230 nan 0.000 0.431 212 S N -1.428 114.055 115.700 -0.362 0.000 2.374 212 S HA -0.187 4.296 4.470 0.022 0.000 0.227 212 S C 1.990 176.453 174.600 -0.229 0.000 1.037 212 S CA 1.641 59.665 58.200 -0.293 0.000 1.024 212 S CB -0.438 63.079 63.200 0.528 0.000 0.861 212 S HN 0.326 nan 8.310 nan 0.000 0.456 213 V N 1.579 121.343 119.914 -0.250 0.000 2.343 213 V HA -0.143 3.990 4.120 0.022 0.000 0.247 213 V C 2.471 178.409 176.094 -0.261 0.000 1.051 213 V CA 2.112 64.214 62.300 -0.331 0.000 1.036 213 V CB -0.697 30.876 31.823 -0.417 0.000 0.654 213 V HN 0.542 nan 8.190 nan 0.000 0.451 214 E N -0.304 119.722 120.200 -0.290 0.000 2.072 214 E HA -0.164 4.200 4.350 0.022 0.000 0.191 214 E C 2.234 178.666 176.600 -0.282 0.000 0.985 214 E CA 0.812 57.064 56.400 -0.247 0.000 0.801 214 E CB -0.089 29.477 29.700 -0.224 0.000 0.750 214 E HN 0.418 nan 8.360 nan 0.000 0.452 215 K N -0.439 119.667 120.400 -0.490 0.000 2.288 215 K HA -0.018 4.315 4.320 0.022 0.000 0.201 215 K C 1.145 177.547 176.600 -0.331 0.000 1.048 215 K CA 0.869 56.838 56.287 -0.530 0.000 0.956 215 K CB 0.202 32.007 32.500 -1.158 0.000 0.746 215 K HN 0.300 nan 8.250 nan 0.000 0.461 216 G N 1.637 110.277 108.800 -0.268 0.000 2.212 216 G HA2 -0.158 3.816 3.960 0.022 0.000 0.255 216 G HA3 -0.158 3.816 3.960 0.022 0.000 0.255 216 G C -0.439 174.577 174.900 0.192 0.000 1.062 216 G CA -0.219 44.874 45.100 -0.012 0.000 0.815 216 G HN 0.057 nan 8.290 nan 0.000 0.497 217 W N -1.121 120.275 121.300 0.159 0.000 2.283 217 W HA 0.702 5.376 4.660 0.022 0.000 0.341 217 W C 0.235 176.873 176.519 0.199 0.000 1.206 217 W CA -1.713 55.725 57.345 0.155 0.000 1.294 217 W CB 0.622 30.169 29.460 0.146 0.000 1.154 217 W HN 0.204 nan 8.180 nan 0.000 0.613 218 L N 5.005 126.460 121.223 0.388 0.000 2.264 218 L HA 0.460 4.813 4.340 0.022 0.000 0.287 218 L C -2.404 174.609 176.870 0.239 0.000 1.039 218 L CA -2.357 52.651 54.840 0.281 0.000 0.829 218 L CB 0.459 42.643 42.059 0.209 0.000 1.211 218 L HN -0.022 nan 8.230 nan 0.000 0.427 219 P HA 0.270 nan 4.420 nan 0.000 0.276 219 P C -1.220 176.198 177.300 0.196 0.000 1.230 219 P CA -0.114 63.130 63.100 0.241 0.000 0.776 219 P CB 0.911 32.805 31.700 0.324 0.000 0.888 220 L N 4.326 125.591 121.223 0.070 0.000 2.372 220 L HA 0.521 4.875 4.340 0.022 0.000 0.274 220 L C -1.351 175.546 176.870 0.046 0.000 0.988 220 L CA -0.773 54.135 54.840 0.112 0.000 0.833 220 L CB 0.558 42.647 42.059 0.049 0.000 1.236 220 L HN 0.185 nan 8.230 nan 0.000 0.410 221 F N 2.961 122.937 119.950 0.044 0.000 2.415 221 F HA 0.315 4.855 4.527 0.022 0.000 0.348 221 F C 0.376 176.203 175.800 0.045 0.000 1.119 221 F CA -0.404 57.607 58.000 0.018 0.000 1.069 221 F CB 1.267 40.185 39.000 -0.136 0.000 1.124 221 F HN 0.373 nan 8.300 nan 0.000 0.472 222 D N 3.856 124.368 120.400 0.186 0.000 2.359 222 D HA 0.139 4.793 4.640 0.022 0.000 0.230 222 D C -1.367 175.084 176.300 0.251 0.000 1.118 222 D CA -0.138 53.955 54.000 0.155 0.000 0.844 222 D CB 0.444 41.280 40.800 0.060 0.000 1.059 222 D HN 0.180 nan 8.370 nan 0.000 0.493 223 F N 3.508 123.477 119.950 0.031 0.000 2.363 223 F HA 0.468 5.009 4.527 0.024 0.000 0.366 223 F C 0.451 176.180 175.800 -0.118 0.000 1.083 223 F CA -1.338 56.666 58.000 0.008 0.000 1.176 223 F CB 0.819 39.805 39.000 -0.023 0.000 1.432 223 F HN 0.478 nan 8.300 nan 0.000 0.482 224 A N 3.248 126.030 122.820 -0.062 0.000 2.343 224 A HA 0.155 4.488 4.320 0.022 0.000 0.223 224 A C -0.079 177.105 177.584 -0.667 0.000 1.214 224 A CA 0.345 52.106 52.037 -0.460 0.000 0.900 224 A CB -0.199 18.383 19.000 -0.698 0.000 0.942 224 A HN 0.502 nan 8.150 nan 0.000 0.507 225 Y N 0.095 120.370 120.300 -0.041 0.000 2.698 225 Y HA 0.306 4.870 4.550 0.023 0.000 0.261 225 Y C 0.560 176.516 175.900 0.092 0.000 1.104 225 Y CA -0.812 57.330 58.100 0.070 0.000 1.145 225 Y CB -0.081 38.418 38.460 0.065 0.000 1.191 225 Y HN 0.381 nan 8.280 nan 0.000 0.564 226 Q N 0.944 120.615 119.800 -0.214 0.000 2.255 226 Q HA 0.330 4.684 4.340 0.022 0.000 0.280 226 Q C 1.180 177.134 176.000 -0.076 0.000 1.068 226 Q CA 1.523 57.105 55.803 -0.367 0.000 0.911 226 Q CB 0.212 28.436 28.738 -0.857 0.000 1.157 226 Q HN 0.797 nan 8.270 nan 0.000 0.380 227 G N 3.319 112.094 108.800 -0.042 0.000 2.213 227 G HA2 -0.268 3.705 3.960 0.022 0.000 0.226 227 G HA3 -0.268 3.705 3.960 0.022 0.000 0.226 227 G C 0.187 174.933 174.900 -0.257 0.000 0.992 227 G CA 0.095 45.086 45.100 -0.182 0.000 0.632 227 G HN 0.661 nan 8.290 nan 0.000 0.511 228 F N 1.301 121.259 119.950 0.013 0.000 2.754 228 F HA 0.544 5.083 4.527 0.020 0.000 0.297 228 F C 2.544 178.366 175.800 0.036 0.000 1.122 228 F CA 1.287 59.301 58.000 0.024 0.000 1.400 228 F CB 0.220 39.263 39.000 0.071 0.000 1.117 228 F HN 0.354 nan 8.300 nan 0.000 0.587 229 A N 0.485 123.433 122.820 0.212 0.000 1.864 229 A HA 0.109 4.442 4.320 0.022 0.000 0.213 229 A C 2.015 179.666 177.584 0.111 0.000 1.266 229 A CA 1.045 53.189 52.037 0.178 0.000 0.612 229 A CB -0.136 18.997 19.000 0.220 0.000 0.940 229 A HN 0.257 nan 8.150 nan 0.000 0.463 230 R N -2.544 118.008 120.500 0.086 0.000 2.428 230 R HA 0.415 4.768 4.340 0.022 0.000 0.193 230 R C 0.650 176.946 176.300 -0.007 0.000 0.852 230 R CA 0.633 56.760 56.100 0.045 0.000 1.055 230 R CB 0.997 31.338 30.300 0.068 0.000 1.343 230 R HN 0.623 nan 8.270 nan 0.000 0.655 234 E N 1.301 121.508 120.200 0.013 0.000 2.072 234 E HA -0.140 4.223 4.350 0.022 0.000 0.190 234 E C 1.596 178.226 176.600 0.049 0.000 0.982 234 E CA 1.406 57.825 56.400 0.032 0.000 0.803 234 E CB 0.177 29.888 29.700 0.018 0.000 0.755 234 E HN 0.449 nan 8.360 nan 0.000 0.453 235 E N 1.130 121.359 120.200 0.048 0.000 2.077 235 E HA -0.155 4.208 4.350 0.022 0.000 0.193 235 E C 1.613 178.280 176.600 0.111 0.000 0.989 235 E CA 1.233 57.674 56.400 0.069 0.000 0.800 235 E CB -0.104 29.634 29.700 0.064 0.000 0.746 235 E HN 0.150 nan 8.360 nan 0.000 0.452 236 D N -0.169 120.318 120.400 0.145 0.000 2.309 236 D HA -0.078 4.575 4.640 0.022 0.000 0.212 236 D C 1.170 177.655 176.300 0.308 0.000 0.968 236 D CA 1.125 55.276 54.000 0.251 0.000 0.882 236 D CB -0.058 40.903 40.800 0.268 0.000 0.918 236 D HN 0.217 nan 8.370 nan 0.000 0.503 237 A N 0.708 123.657 122.820 0.214 0.000 2.308 237 A HA 0.031 4.364 4.320 0.022 0.000 0.217 237 A C 1.812 179.329 177.584 -0.112 0.000 1.216 237 A CA 0.014 52.103 52.037 0.086 0.000 0.864 237 A CB -0.283 18.804 19.000 0.145 0.000 0.902 237 A HN 0.287 nan 8.150 nan 0.000 0.499 238 E N -0.264 119.893 120.200 -0.072 0.000 2.110 238 E HA -0.097 4.267 4.350 0.022 0.000 0.193 238 E C 1.819 178.267 176.600 -0.254 0.000 0.988 238 E CA 1.101 57.444 56.400 -0.094 0.000 0.804 238 E CB -0.625 29.075 29.700 -0.000 0.000 0.745 238 E HN 0.322 nan 8.360 nan 0.000 0.458 239 G N 2.030 110.494 108.800 -0.560 0.000 2.433 239 G HA2 -0.279 3.695 3.960 0.022 0.000 0.216 239 G HA3 -0.279 3.695 3.960 0.022 0.000 0.216 239 G C 1.558 175.951 174.900 -0.845 0.000 1.186 239 G CA 1.015 45.348 45.100 -1.278 0.000 0.779 239 G HN 0.262 nan 8.290 nan 0.000 0.543 240 L N 0.719 121.382 121.223 -0.934 0.000 2.012 240 L HA -0.025 4.329 4.340 0.022 0.000 0.210 240 L C 2.873 179.489 176.870 -0.423 0.000 1.073 240 L CA 1.896 56.104 54.840 -1.053 0.000 0.748 240 L CB -0.524 40.871 42.059 -1.106 0.000 0.891 240 L HN 0.162 nan 8.230 nan 0.000 0.431 241 R N -0.599 119.764 120.500 -0.229 0.000 2.152 241 R HA -0.064 4.289 4.340 0.022 0.000 0.232 241 R C 2.231 178.529 176.300 -0.004 0.000 1.117 241 R CA 0.976 57.055 56.100 -0.034 0.000 0.981 241 R CB -0.570 29.729 30.300 -0.002 0.000 0.870 241 R HN 0.557 nan 8.270 nan 0.000 0.451 242 A N 0.677 123.489 122.820 -0.014 0.000 1.873 242 A HA -0.140 4.193 4.320 0.022 0.000 0.215 242 A C 1.806 179.453 177.584 0.105 0.000 1.186 242 A CA 1.108 53.176 52.037 0.051 0.000 0.616 242 A CB -0.505 18.551 19.000 0.093 0.000 0.823 242 A HN 0.180 nan 8.150 nan 0.000 0.442 243 F N 0.182 120.119 119.950 -0.021 0.000 2.146 243 F HA -0.049 4.491 4.527 0.023 0.000 0.298 243 F C 2.786 178.667 175.800 0.135 0.000 1.096 243 F CA 1.018 59.098 58.000 0.132 0.000 1.275 243 F CB -0.517 38.535 39.000 0.087 0.000 1.008 243 F HN 0.246 nan 8.300 nan 0.000 0.480 244 A N -0.285 122.645 122.820 0.183 0.000 2.019 244 A HA -0.055 4.278 4.320 0.022 0.000 0.219 244 A C 2.314 179.911 177.584 0.021 0.000 1.164 244 A CA 1.557 53.630 52.037 0.061 0.000 0.644 244 A CB -1.165 17.815 19.000 -0.034 0.000 0.805 244 A HN 0.305 nan 8.150 nan 0.000 0.449 245 A N -1.139 121.700 122.820 0.031 0.000 2.066 245 A HA 0.131 4.465 4.320 0.022 0.000 0.218 245 A C 2.049 179.623 177.584 -0.016 0.000 1.157 245 A CA 1.477 53.511 52.037 -0.005 0.000 0.670 245 A CB -0.308 18.688 19.000 -0.006 0.000 0.804 245 A HN 0.526 nan 8.150 nan 0.000 0.453 246 M N -1.643 117.956 119.600 -0.000 0.000 2.449 246 M HA 0.187 4.680 4.480 0.022 0.000 0.262 246 M C -0.020 176.194 176.300 -0.144 0.000 1.152 246 M CA 0.103 55.349 55.300 -0.090 0.000 1.104 246 M CB 0.289 32.787 32.600 -0.171 0.000 1.416 246 M HN 0.264 nan 8.290 nan 0.000 0.519 247 H N 0.683 119.762 119.070 0.015 0.000 2.481 247 H HA 0.242 4.812 4.556 0.022 0.000 0.339 247 H C 0.261 175.609 175.328 0.033 0.000 1.131 247 H CA 0.191 56.273 56.048 0.057 0.000 1.301 247 H CB 1.762 31.621 29.762 0.160 0.000 1.476 247 H HN 0.074 nan 8.280 nan 0.000 0.529 248 K N 1.008 121.492 120.400 0.140 0.000 2.284 248 K HA 0.059 4.392 4.320 0.022 0.000 0.198 248 K C -0.104 176.564 176.600 0.113 0.000 1.048 248 K CA 0.724 57.062 56.287 0.085 0.000 0.987 248 K CB 0.576 33.110 32.500 0.057 0.000 0.800 248 K HN 0.607 nan 8.250 nan 0.000 0.486 249 E N 0.674 120.985 120.200 0.184 0.000 2.293 249 E HA 0.443 4.807 4.350 0.022 0.000 0.270 249 E C -1.326 175.399 176.600 0.210 0.000 0.879 249 E CA -0.836 55.670 56.400 0.177 0.000 0.756 249 E CB 2.124 31.932 29.700 0.180 0.000 1.208 249 E HN -0.068 nan 8.360 nan 0.000 0.428 250 L N -1.276 120.055 121.223 0.180 0.000 3.020 250 L HA 0.633 4.986 4.340 0.022 0.000 0.273 250 L C -1.794 175.193 176.870 0.195 0.000 1.018 250 L CA -0.761 54.197 54.840 0.196 0.000 0.950 250 L CB 0.947 43.121 42.059 0.193 0.000 1.510 250 L HN 0.579 nan 8.230 nan 0.000 0.404 251 I N 0.679 121.382 120.570 0.221 0.000 2.647 251 I HA 0.782 4.965 4.170 0.022 0.000 0.295 251 I C -1.145 175.109 176.117 0.229 0.000 1.078 251 I CA -1.148 60.276 61.300 0.208 0.000 1.048 251 I CB 2.384 40.511 38.000 0.211 0.000 1.239 251 I HN 0.436 nan 8.210 nan 0.000 0.421 252 V N 4.085 124.115 119.914 0.193 0.000 2.525 252 V HA 0.638 4.771 4.120 0.022 0.000 0.299 252 V C -0.178 176.008 176.094 0.152 0.000 1.034 252 V CA -0.595 61.810 62.300 0.174 0.000 0.863 252 V CB 1.720 33.599 31.823 0.092 0.000 0.999 252 V HN 0.815 nan 8.190 nan 0.000 0.423 253 A N 3.761 126.681 122.820 0.166 0.000 2.277 253 A HA 0.820 5.153 4.320 0.022 0.000 0.318 253 A C 0.230 177.877 177.584 0.105 0.000 1.339 253 A CA -0.320 51.799 52.037 0.137 0.000 0.875 253 A CB 0.679 19.774 19.000 0.158 0.000 1.158 253 A HN 0.997 nan 8.150 nan 0.000 0.514 254 S N 1.404 117.127 115.700 0.039 0.000 2.664 254 S HA 0.866 5.349 4.470 0.022 0.000 0.304 254 S C -0.087 174.406 174.600 -0.179 0.000 1.099 254 S CA -0.521 57.637 58.200 -0.070 0.000 1.003 254 S CB 1.765 64.870 63.200 -0.159 0.000 1.092 254 S HN 1.159 nan 8.310 nan 0.000 0.525 255 S N -0.343 115.162 115.700 -0.324 0.000 2.549 255 S HA 0.609 5.092 4.470 0.022 0.000 0.280 255 S C -1.474 172.872 174.600 -0.422 0.000 1.109 255 S CA -0.591 57.434 58.200 -0.291 0.000 0.905 255 S CB 0.880 63.951 63.200 -0.215 0.000 1.081 255 S HN 0.691 nan 8.310 nan 0.000 0.477 256 Y N 1.970 122.243 120.300 -0.046 0.000 2.531 256 Y HA 0.311 4.877 4.550 0.026 0.000 0.249 256 Y C 2.205 178.090 175.900 -0.027 0.000 1.168 256 Y CA -0.139 57.958 58.100 -0.005 0.000 1.226 256 Y CB 0.211 38.586 38.460 -0.141 0.000 1.177 256 Y HN 0.602 nan 8.280 nan 0.000 0.527 257 S N 0.344 116.040 115.700 -0.007 0.000 2.359 257 S HA -0.217 4.266 4.470 0.022 0.000 0.224 257 S C 1.810 176.166 174.600 -0.407 0.000 1.035 257 S CA 1.926 60.034 58.200 -0.153 0.000 1.018 257 S CB 0.009 63.177 63.200 -0.054 0.000 0.876 257 S HN 0.387 nan 8.310 nan 0.000 0.448 258 K N 1.657 121.945 120.400 -0.186 0.000 2.121 258 K HA 0.097 4.430 4.320 0.022 0.000 0.203 258 K C 1.575 178.333 176.600 0.265 0.000 1.041 258 K CA 1.020 57.263 56.287 -0.074 0.000 0.969 258 K CB -0.335 32.101 32.500 -0.107 0.000 0.799 258 K HN 0.375 nan 8.250 nan 0.000 0.456 259 N N 0.046 119.003 118.700 0.427 0.000 2.573 259 N HA -0.116 4.637 4.740 0.022 0.000 0.187 259 N C 0.549 176.231 175.510 0.286 0.000 1.107 259 N CA 1.062 54.342 53.050 0.383 0.000 0.918 259 N CB -0.198 38.481 38.487 0.320 0.000 0.966 259 N HN 0.133 nan 8.380 nan 0.000 0.448 260 F N -1.118 118.945 119.950 0.189 0.000 2.746 260 F HA 0.406 4.943 4.527 0.017 0.000 0.320 260 F C 1.529 177.317 175.800 -0.021 0.000 1.097 260 F CA -0.045 58.022 58.000 0.112 0.000 1.195 260 F CB 0.568 39.540 39.000 -0.047 0.000 1.056 260 F HN 0.126 nan 8.300 nan 0.000 0.562 261 G N 1.605 110.388 108.800 -0.028 0.000 2.249 261 G HA2 -0.308 3.665 3.960 0.022 0.000 0.273 261 G HA3 -0.308 3.665 3.960 0.022 0.000 0.273 261 G C 0.462 175.246 174.900 -0.193 0.000 1.036 261 G CA 0.391 45.350 45.100 -0.234 0.000 0.824 261 G HN 0.402 nan 8.290 nan 0.000 0.504 262 L N -0.408 120.689 121.223 -0.210 0.000 2.984 262 L HA 0.281 4.635 4.340 0.022 0.000 0.246 262 L C 2.129 178.981 176.870 -0.031 0.000 1.268 262 L CA -0.861 53.947 54.840 -0.053 0.000 1.054 262 L CB -0.369 41.675 42.059 -0.026 0.000 1.393 262 L HN 0.293 nan 8.230 nan 0.000 0.532 263 Y N 0.879 121.237 120.300 0.096 0.000 2.003 263 Y HA -0.447 4.116 4.550 0.020 0.000 0.261 263 Y C 2.388 178.316 175.900 0.047 0.000 1.211 263 Y CA 2.405 60.546 58.100 0.069 0.000 1.098 263 Y CB -0.911 37.593 38.460 0.072 0.000 0.925 263 Y HN 0.546 nan 8.280 nan 0.000 0.498 264 N N -0.497 118.344 118.700 0.235 0.000 2.521 264 N HA -0.102 4.651 4.740 0.022 0.000 0.188 264 N C 0.878 176.433 175.510 0.075 0.000 1.146 264 N CA 0.590 53.716 53.050 0.127 0.000 0.893 264 N CB -0.041 38.510 38.487 0.106 0.000 0.975 264 N HN 0.394 nan 8.380 nan 0.000 0.451 265 E N 0.840 121.081 120.200 0.068 0.000 2.474 265 E HA 0.026 4.389 4.350 0.022 0.000 0.194 265 E C -0.170 176.425 176.600 -0.008 0.000 1.041 265 E CA -0.026 56.398 56.400 0.038 0.000 0.874 265 E CB 0.201 29.933 29.700 0.053 0.000 0.914 265 E HN 0.258 nan 8.360 nan 0.000 0.498 266 R N -0.098 120.403 120.500 0.001 0.000 2.992 266 R HA -0.120 4.233 4.340 0.022 0.000 0.263 266 R C -0.796 175.471 176.300 -0.055 0.000 0.902 266 R CA 0.210 56.295 56.100 -0.026 0.000 0.667 266 R CB -3.051 27.215 30.300 -0.057 0.000 1.504 266 R HN -0.086 nan 8.270 nan 0.000 0.489 267 V N 0.723 120.626 119.914 -0.018 0.000 2.326 267 V HA 0.834 4.967 4.120 0.022 0.000 0.281 267 V C 1.133 177.324 176.094 0.161 0.000 1.015 267 V CA 0.072 62.377 62.300 0.008 0.000 0.823 267 V CB 1.955 33.767 31.823 -0.019 0.000 1.009 267 V HN 0.702 nan 8.190 nan 0.000 0.436 268 G N 2.900 111.800 108.800 0.167 0.000 2.788 268 G HA2 0.937 4.910 3.960 0.022 0.000 0.293 268 G HA3 0.937 4.910 3.960 0.022 0.000 0.293 268 G C -1.359 173.721 174.900 0.300 0.000 1.392 268 G CA -0.242 44.969 45.100 0.185 0.000 0.810 268 G HN 1.121 nan 8.290 nan 0.000 0.508 269 A N -1.707 121.238 122.820 0.208 0.000 2.589 269 A HA 0.608 4.942 4.320 0.022 0.000 0.296 269 A C -1.322 176.360 177.584 0.162 0.000 1.062 269 A CA -0.353 51.835 52.037 0.253 0.000 0.686 269 A CB 1.398 20.563 19.000 0.276 0.000 1.282 269 A HN 1.704 nan 8.150 nan 0.000 0.404 270 C N 1.976 121.388 119.300 0.186 0.000 2.316 270 C HA 0.779 5.252 4.460 0.022 0.000 0.324 270 C C 0.049 175.139 174.990 0.167 0.000 1.226 270 C CA 0.059 59.175 59.018 0.164 0.000 1.450 270 C CB -0.440 27.399 27.740 0.165 0.000 2.123 270 C HN 0.811 nan 8.230 nan 0.000 0.454 271 T N 6.411 121.046 114.554 0.134 0.000 2.794 271 T HA 0.517 4.880 4.350 0.022 0.000 0.280 271 T C -0.621 174.151 174.700 0.120 0.000 0.987 271 T CA -0.217 61.955 62.100 0.120 0.000 0.993 271 T CB 1.178 70.122 68.868 0.128 0.000 0.939 271 T HN 0.568 nan 8.240 nan 0.000 0.449 272 L N 4.704 125.967 121.223 0.067 0.000 2.317 272 L HA 0.743 5.097 4.340 0.022 0.000 0.281 272 L C -1.049 175.840 176.870 0.031 0.000 1.024 272 L CA -0.489 54.381 54.840 0.050 0.000 0.810 272 L CB 1.626 43.698 42.059 0.022 0.000 1.240 272 L HN 0.428 nan 8.230 nan 0.000 0.427 273 V N 4.419 124.369 119.914 0.059 0.000 2.531 273 V HA 0.910 5.044 4.120 0.022 0.000 0.301 273 V C -0.163 175.959 176.094 0.048 0.000 1.034 273 V CA -0.308 62.003 62.300 0.018 0.000 0.865 273 V CB 1.245 33.060 31.823 -0.014 0.000 0.995 273 V HN 0.969 nan 8.190 nan 0.000 0.424 274 A N 3.208 126.044 122.820 0.026 0.000 2.437 274 A HA 0.927 5.260 4.320 0.022 0.000 0.292 274 A C 1.162 178.762 177.584 0.026 0.000 1.173 274 A CA 0.058 52.126 52.037 0.052 0.000 0.785 274 A CB 1.434 20.474 19.000 0.067 0.000 1.351 274 A HN 1.240 nan 8.150 nan 0.000 0.431 275 A N -0.283 122.560 122.820 0.038 0.000 1.948 275 A HA 0.147 4.481 4.320 0.022 0.000 0.220 275 A C 0.623 178.209 177.584 0.004 0.000 1.177 275 A CA 2.483 54.533 52.037 0.021 0.000 0.636 275 A CB -0.793 18.224 19.000 0.028 0.000 0.815 275 A HN 1.096 nan 8.150 nan 0.000 0.449 276 D N -4.858 115.548 120.400 0.009 0.000 2.626 276 D HA 0.389 5.042 4.640 0.022 0.000 0.278 276 D C 0.513 176.814 176.300 0.002 0.000 1.211 276 D CA 0.092 54.092 54.000 0.000 0.000 0.903 276 D CB 0.590 41.394 40.800 0.006 0.000 1.408 276 D HN -0.149 nan 8.370 nan 0.000 0.454 277 S N -0.885 114.812 115.700 -0.004 0.000 2.370 277 S HA -0.237 4.246 4.470 0.022 0.000 0.226 277 S C 1.510 176.118 174.600 0.015 0.000 1.033 277 S CA 1.675 59.873 58.200 -0.003 0.000 1.011 277 S CB -0.472 62.725 63.200 -0.006 0.000 0.852 277 S HN 0.513 nan 8.310 nan 0.000 0.457 278 E N 0.370 120.582 120.200 0.021 0.000 2.077 278 E HA -0.109 4.255 4.350 0.022 0.000 0.193 278 E C 1.993 178.621 176.600 0.047 0.000 0.989 278 E CA 1.760 58.179 56.400 0.032 0.000 0.800 278 E CB -0.674 29.042 29.700 0.028 0.000 0.746 278 E HN 0.595 nan 8.360 nan 0.000 0.452 279 T N 0.642 115.225 114.554 0.047 0.000 2.812 279 T HA -0.084 4.279 4.350 0.022 0.000 0.264 279 T C 1.934 176.685 174.700 0.086 0.000 1.042 279 T CA 1.103 63.243 62.100 0.066 0.000 1.140 279 T CB -0.321 68.585 68.868 0.063 0.000 0.870 279 T HN 0.049 nan 8.240 nan 0.000 0.445 280 V N 1.836 121.789 119.914 0.064 0.000 2.427 280 V HA -0.172 3.961 4.120 0.022 0.000 0.248 280 V C 1.969 178.128 176.094 0.108 0.000 1.051 280 V CA 1.991 64.331 62.300 0.067 0.000 1.048 280 V CB -0.528 31.294 31.823 -0.001 0.000 0.666 280 V HN 0.337 nan 8.190 nan 0.000 0.456 281 D N -0.315 120.139 120.400 0.090 0.000 2.097 281 D HA -0.174 4.479 4.640 0.022 0.000 0.195 281 D C 2.308 178.706 176.300 0.165 0.000 0.989 281 D CA 1.565 55.644 54.000 0.132 0.000 0.827 281 D CB -0.280 40.571 40.800 0.085 0.000 0.966 281 D HN 0.387 nan 8.370 nan 0.000 0.456 282 R N 0.221 120.798 120.500 0.128 0.000 2.081 282 R HA -0.058 4.295 4.340 0.022 0.000 0.235 282 R C 2.056 178.454 176.300 0.164 0.000 1.131 282 R CA 1.403 57.577 56.100 0.123 0.000 0.960 282 R CB -0.138 30.221 30.300 0.098 0.000 0.856 282 R HN 0.138 nan 8.270 nan 0.000 0.436 283 A N 0.160 123.101 122.820 0.202 0.000 1.898 283 A HA -0.171 4.162 4.320 0.022 0.000 0.216 283 A C 1.954 179.701 177.584 0.271 0.000 1.181 283 A CA 1.078 53.290 52.037 0.292 0.000 0.620 283 A CB -0.753 18.434 19.000 0.312 0.000 0.819 283 A HN 0.473 nan 8.150 nan 0.000 0.442 284 F N 1.990 121.957 119.950 0.029 0.000 2.202 284 F HA -0.188 4.351 4.527 0.021 0.000 0.301 284 F C 2.757 178.565 175.800 0.012 0.000 1.082 284 F CA 1.523 59.501 58.000 -0.037 0.000 1.313 284 F CB -0.314 38.672 39.000 -0.023 0.000 1.024 284 F HN 0.344 nan 8.300 nan 0.000 0.495 285 S N -0.681 115.064 115.700 0.075 0.000 2.382 285 S HA -0.223 4.260 4.470 0.022 0.000 0.228 285 S C 1.897 176.476 174.600 -0.034 0.000 1.027 285 S CA 1.106 59.298 58.200 -0.013 0.000 0.991 285 S CB -0.542 62.688 63.200 0.051 0.000 0.823 285 S HN 0.459 nan 8.310 nan 0.000 0.469 286 Q N 0.431 120.275 119.800 0.073 0.000 2.172 286 Q HA 0.144 4.497 4.340 0.022 0.000 0.200 286 Q C 2.096 178.185 176.000 0.148 0.000 0.964 286 Q CA 1.140 57.027 55.803 0.140 0.000 0.855 286 Q CB -0.424 28.472 28.738 0.263 0.000 0.918 286 Q HN 0.751 nan 8.270 nan 0.000 0.444 287 M N 0.455 120.066 119.600 0.019 0.000 2.175 287 M HA -0.142 4.351 4.480 0.022 0.000 0.264 287 M C 1.647 177.799 176.300 -0.246 0.000 1.063 287 M CA 1.410 56.624 55.300 -0.143 0.000 1.119 287 M CB 0.135 32.447 32.600 -0.479 0.000 1.377 287 M HN -0.040 nan 8.290 nan 0.000 0.415 288 K N 0.162 120.323 120.400 -0.397 0.000 2.148 288 K HA -0.073 4.260 4.320 0.022 0.000 0.204 288 K C 1.955 178.438 176.600 -0.196 0.000 1.050 288 K CA 1.297 57.375 56.287 -0.347 0.000 0.942 288 K CB -0.256 32.023 32.500 -0.370 0.000 0.724 288 K HN 0.435 nan 8.250 nan 0.000 0.446 289 A N 1.553 124.299 122.820 -0.123 0.000 1.969 289 A HA -0.066 4.267 4.320 0.022 0.000 0.218 289 A C 2.339 179.878 177.584 -0.076 0.000 1.169 289 A CA 1.662 53.651 52.037 -0.080 0.000 0.635 289 A CB -0.449 18.531 19.000 -0.033 0.000 0.810 289 A HN 0.315 nan 8.150 nan 0.000 0.445 290 A N -0.289 122.502 122.820 -0.049 0.000 1.968 290 A HA 0.030 4.363 4.320 0.022 0.000 0.217 290 A C 2.059 179.573 177.584 -0.117 0.000 1.169 290 A CA 1.320 53.338 52.037 -0.032 0.000 0.638 290 A CB -0.454 18.581 19.000 0.058 0.000 0.812 290 A HN 0.491 nan 8.150 nan 0.000 0.446 291 I N -1.520 118.931 120.570 -0.198 0.000 2.333 291 I HA -0.152 4.032 4.170 0.022 0.000 0.246 291 I C 2.633 178.487 176.117 -0.439 0.000 1.106 291 I CA 1.005 62.059 61.300 -0.411 0.000 1.411 291 I CB -0.274 37.491 38.000 -0.391 0.000 1.082 291 I HN 0.288 nan 8.210 nan 0.000 0.420 292 R N 0.776 121.113 120.500 -0.272 0.000 2.103 292 R HA -0.176 4.177 4.340 0.022 0.000 0.242 292 R C 1.860 178.055 176.300 -0.174 0.000 1.142 292 R CA 1.976 57.951 56.100 -0.208 0.000 0.960 292 R CB -0.119 30.095 30.300 -0.144 0.000 0.858 292 R HN 0.411 nan 8.270 nan 0.000 0.439 293 V N -1.149 118.678 119.914 -0.145 0.000 3.577 293 V HA 0.150 4.284 4.120 0.022 0.000 0.294 293 V C 0.830 176.868 176.094 -0.093 0.000 1.317 293 V CA 0.392 62.634 62.300 -0.097 0.000 1.169 293 V CB 0.020 31.805 31.823 -0.062 0.000 1.011 293 V HN 0.237 nan 8.190 nan 0.000 0.426 294 N N 1.835 120.438 118.700 -0.163 0.000 2.830 294 N HA 0.111 4.864 4.740 0.022 0.000 0.232 294 N C 1.314 176.795 175.510 -0.048 0.000 1.062 294 N CA 1.512 54.499 53.050 -0.105 0.000 1.204 294 N CB 0.195 38.602 38.487 -0.134 0.000 1.589 294 N HN 0.605 nan 8.380 nan 0.000 0.604 295 Y N -1.227 119.069 120.300 -0.006 0.000 2.500 295 Y HA 0.578 5.142 4.550 0.023 0.000 0.246 295 Y C 1.292 177.189 175.900 -0.005 0.000 1.146 295 Y CA 0.360 58.459 58.100 -0.002 0.000 1.230 295 Y CB -0.044 38.418 38.460 0.003 0.000 1.214 295 Y HN 0.170 nan 8.280 nan 0.000 0.526 296 S N 0.750 116.291 115.700 -0.264 0.000 1.991 296 S HA -0.265 4.218 4.470 0.022 0.000 0.246 296 S C 0.394 174.925 174.600 -0.115 0.000 0.933 296 S CA 1.816 59.914 58.200 -0.171 0.000 1.899 296 S CB -1.851 61.303 63.200 -0.077 0.000 1.228 296 S HN 1.257 nan 8.310 nan 0.000 0.496 297 S N 2.448 118.216 115.700 0.112 0.000 2.564 297 S HA 0.786 5.269 4.470 0.022 0.000 0.274 297 S C -3.228 171.585 174.600 0.355 0.000 1.124 297 S CA -0.890 57.426 58.200 0.193 0.000 0.869 297 S CB 2.537 65.819 63.200 0.137 0.000 1.105 297 S HN 0.647 nan 8.310 nan 0.000 0.472 298 P HA 0.372 nan 4.420 nan 0.000 0.277 298 P C -2.726 174.567 177.300 -0.012 0.000 1.240 298 P CA -1.517 61.624 63.100 0.068 0.000 0.798 298 P CB -0.416 31.291 31.700 0.012 0.000 0.979 299 P HA 0.071 nan 4.420 nan 0.000 0.271 299 P C 0.480 177.725 177.300 -0.091 0.000 1.226 299 P CA 0.035 63.096 63.100 -0.066 0.000 0.765 299 P CB 0.691 32.342 31.700 -0.081 0.000 0.835 300 A N 3.543 126.330 122.820 -0.056 0.000 1.897 300 A HA -0.204 4.129 4.320 0.022 0.000 0.215 300 A C 2.147 179.684 177.584 -0.077 0.000 1.181 300 A CA 1.569 53.560 52.037 -0.078 0.000 0.620 300 A CB -1.608 17.368 19.000 -0.040 0.000 0.821 300 A HN 0.650 nan 8.150 nan 0.000 0.443 301 H N -0.090 118.916 119.070 -0.106 0.000 2.255 301 H HA -0.172 4.385 4.556 0.001 0.000 0.290 301 H C 2.233 177.486 175.328 -0.125 0.000 1.087 301 H CA 2.587 58.578 56.048 -0.095 0.000 1.213 301 H CB -0.753 28.967 29.762 -0.070 0.000 1.349 301 H HN 0.346 nan 8.280 nan 0.000 0.487 302 G N -0.387 108.323 108.800 -0.149 0.000 2.491 302 G HA2 -0.305 3.669 3.960 0.022 0.000 0.218 302 G HA3 -0.305 3.669 3.960 0.022 0.000 0.218 302 G C 1.925 176.619 174.900 -0.344 0.000 1.180 302 G CA 1.544 46.502 45.100 -0.235 0.000 0.774 302 G HN 0.673 nan 8.290 nan 0.000 0.562 303 A N 0.404 122.990 122.820 -0.390 0.000 1.972 303 A HA 0.036 4.369 4.320 0.022 0.000 0.219 303 A C 2.696 180.074 177.584 -0.343 0.000 1.169 303 A CA 2.224 53.926 52.037 -0.557 0.000 0.635 303 A CB -0.526 17.879 19.000 -0.992 0.000 0.810 303 A HN 0.324 nan 8.150 nan 0.000 0.446 304 S N -0.497 115.029 115.700 -0.291 0.000 2.368 304 S HA -0.127 4.356 4.470 0.022 0.000 0.225 304 S C 1.895 176.351 174.600 -0.239 0.000 1.030 304 S CA 1.388 59.464 58.200 -0.207 0.000 0.999 304 S CB -0.426 62.674 63.200 -0.166 0.000 0.844 304 S HN 0.362 nan 8.310 nan 0.000 0.459 305 V N 1.477 121.188 119.914 -0.337 0.000 2.295 305 V HA -0.149 3.984 4.120 0.022 0.000 0.246 305 V C 2.313 178.187 176.094 -0.367 0.000 1.049 305 V CA 1.499 63.607 62.300 -0.320 0.000 1.024 305 V CB -0.716 30.900 31.823 -0.345 0.000 0.648 305 V HN 0.337 nan 8.190 nan 0.000 0.447 306 V N 0.230 119.821 119.914 -0.539 0.000 2.343 306 V HA -0.259 3.874 4.120 0.022 0.000 0.247 306 V C 2.693 178.480 176.094 -0.512 0.000 1.051 306 V CA 2.035 63.827 62.300 -0.848 0.000 1.036 306 V CB -1.160 29.967 31.823 -1.161 0.000 0.654 306 V HN 0.564 nan 8.190 nan 0.000 0.451 307 A N -0.287 122.370 122.820 -0.273 0.000 1.877 307 A HA -0.238 4.095 4.320 0.022 0.000 0.216 307 A C 2.408 179.883 177.584 -0.182 0.000 1.186 307 A CA 2.568 54.503 52.037 -0.170 0.000 0.620 307 A CB -1.072 17.899 19.000 -0.049 0.000 0.822 307 A HN 0.495 nan 8.150 nan 0.000 0.443 308 T N 0.366 114.808 114.554 -0.186 0.000 2.684 308 T HA -0.137 4.226 4.350 0.022 0.000 0.267 308 T C 1.807 176.384 174.700 -0.206 0.000 1.036 308 T CA 1.655 63.634 62.100 -0.203 0.000 1.148 308 T CB -0.424 68.324 68.868 -0.199 0.000 0.863 308 T HN 0.425 nan 8.240 nan 0.000 0.436 309 I N 0.617 121.072 120.570 -0.193 0.000 2.163 309 I HA -0.107 4.076 4.170 0.022 0.000 0.240 309 I C 2.203 178.246 176.117 -0.123 0.000 1.081 309 I CA 1.236 62.454 61.300 -0.137 0.000 1.353 309 I CB -0.359 37.582 38.000 -0.099 0.000 1.054 309 I HN 0.186 nan 8.210 nan 0.000 0.407 310 L N -0.229 120.886 121.223 -0.181 0.000 2.265 310 L HA -0.144 4.209 4.340 0.022 0.000 0.215 310 L C 2.280 179.097 176.870 -0.089 0.000 1.117 310 L CA 0.860 55.621 54.840 -0.132 0.000 0.782 310 L CB -0.458 41.482 42.059 -0.198 0.000 0.914 310 L HN 0.174 nan 8.230 nan 0.000 0.441 311 S N -1.123 114.511 115.700 -0.110 0.000 2.503 311 S HA 0.023 4.507 4.470 0.022 0.000 0.217 311 S C 0.833 175.383 174.600 -0.084 0.000 0.999 311 S CA -0.005 58.142 58.200 -0.089 0.000 0.914 311 S CB -0.118 63.024 63.200 -0.097 0.000 0.782 311 S HN 0.346 nan 8.310 nan 0.000 0.520 312 N N 1.612 120.255 118.700 -0.096 0.000 2.444 312 N HA 0.122 4.875 4.740 0.022 0.000 0.262 312 N C -0.403 175.081 175.510 -0.044 0.000 0.974 312 N CA -0.109 52.887 53.050 -0.090 0.000 0.933 312 N CB 1.236 39.635 38.487 -0.147 0.000 1.137 312 N HN -0.134 nan 8.380 nan 0.000 0.498 313 D N 3.169 123.552 120.400 -0.029 0.000 2.133 313 D HA -0.179 4.474 4.640 0.022 0.000 0.192 313 D C 1.629 177.928 176.300 -0.002 0.000 1.001 313 D CA 1.632 55.627 54.000 -0.008 0.000 0.844 313 D CB -0.087 40.708 40.800 -0.009 0.000 0.944 313 D HN 0.715 nan 8.370 nan 0.000 0.447 314 A N 0.762 123.575 122.820 -0.012 0.000 1.851 314 A HA -0.163 4.170 4.320 0.022 0.000 0.216 314 A C 2.492 180.079 177.584 0.005 0.000 1.195 314 A CA 1.264 53.297 52.037 -0.007 0.000 0.622 314 A CB -0.994 17.998 19.000 -0.013 0.000 0.831 314 A HN 0.236 nan 8.150 nan 0.000 0.444 315 L N -1.096 120.124 121.223 -0.005 0.000 2.042 315 L HA -0.227 4.126 4.340 0.022 0.000 0.210 315 L C 2.838 179.757 176.870 0.082 0.000 1.076 315 L CA 1.947 56.797 54.840 0.017 0.000 0.749 315 L CB -0.509 41.532 42.059 -0.029 0.000 0.893 315 L HN 0.519 nan 8.230 nan 0.000 0.432 316 R N 0.310 120.860 120.500 0.084 0.000 2.096 316 R HA -0.180 4.173 4.340 0.022 0.000 0.235 316 R C 2.311 178.715 176.300 0.172 0.000 1.127 316 R CA 1.426 57.641 56.100 0.192 0.000 0.968 316 R CB -0.206 30.177 30.300 0.138 0.000 0.861 316 R HN 0.342 nan 8.270 nan 0.000 0.440 317 A N 0.989 123.849 122.820 0.067 0.000 1.898 317 A HA -0.111 4.222 4.320 0.022 0.000 0.216 317 A C 2.152 179.725 177.584 -0.019 0.000 1.181 317 A CA 1.391 53.432 52.037 0.007 0.000 0.620 317 A CB -0.465 18.531 19.000 -0.006 0.000 0.819 317 A HN 0.364 nan 8.150 nan 0.000 0.442 318 I N -2.245 118.333 120.570 0.014 0.000 2.179 318 I HA -0.273 3.910 4.170 0.022 0.000 0.242 318 I C 2.450 178.557 176.117 -0.016 0.000 1.088 318 I CA 1.730 63.029 61.300 -0.002 0.000 1.357 318 I CB -0.405 37.610 38.000 0.024 0.000 1.051 318 I HN 0.742 nan 8.210 nan 0.000 0.409 319 W N 2.446 123.665 121.300 -0.136 0.000 2.335 319 W HA -0.214 4.460 4.660 0.023 0.000 0.311 319 W C 2.355 178.719 176.519 -0.259 0.000 1.213 319 W CA 1.590 58.803 57.345 -0.220 0.000 1.274 319 W CB -0.366 28.935 29.460 -0.265 0.000 1.148 319 W HN 0.076 nan 8.180 nan 0.000 0.498 320 E N -0.280 119.544 120.200 -0.626 0.000 2.153 320 E HA -0.314 4.049 4.350 0.022 0.000 0.194 320 E C 1.973 178.218 176.600 -0.592 0.000 0.988 320 E CA 1.557 57.438 56.400 -0.865 0.000 0.811 320 E CB -0.348 29.070 29.700 -0.470 0.000 0.746 320 E HN 0.278 nan 8.360 nan 0.000 0.466 321 Q N 1.343 120.921 119.800 -0.369 0.000 2.083 321 Q HA -0.151 4.202 4.340 0.022 0.000 0.198 321 Q C 1.594 177.415 176.000 -0.299 0.000 0.969 321 Q CA 1.520 57.160 55.803 -0.270 0.000 0.838 321 Q CB 0.050 28.689 28.738 -0.164 0.000 0.900 321 Q HN 0.291 nan 8.270 nan 0.000 0.436 322 E N -0.290 119.719 120.200 -0.318 0.000 2.110 322 E HA -0.183 4.180 4.350 0.022 0.000 0.193 322 E C 1.871 178.222 176.600 -0.415 0.000 0.988 322 E CA 1.052 57.279 56.400 -0.288 0.000 0.804 322 E CB -0.214 29.363 29.700 -0.205 0.000 0.745 322 E HN 0.268 nan 8.360 nan 0.000 0.458 323 L N 1.139 121.982 121.223 -0.633 0.000 2.017 323 L HA -0.145 4.208 4.340 0.022 0.000 0.208 323 L C 2.233 178.760 176.870 -0.572 0.000 1.073 323 L CA 1.926 56.334 54.840 -0.720 0.000 0.745 323 L CB -0.750 40.699 42.059 -1.017 0.000 0.894 323 L HN 0.005 nan 8.230 nan 0.000 0.432 324 T N -0.349 113.921 114.554 -0.473 0.000 2.720 324 T HA -0.185 4.178 4.350 0.022 0.000 0.268 324 T C 1.491 176.049 174.700 -0.237 0.000 1.037 324 T CA 1.647 63.552 62.100 -0.325 0.000 1.144 324 T CB -0.396 68.315 68.868 -0.261 0.000 0.864 324 T HN 0.405 nan 8.240 nan 0.000 0.444 325 D N 0.785 121.053 120.400 -0.220 0.000 2.144 325 D HA -0.007 4.646 4.640 0.022 0.000 0.199 325 D C 2.084 178.320 176.300 -0.107 0.000 0.984 325 D CA 0.930 54.851 54.000 -0.131 0.000 0.834 325 D CB -0.260 40.478 40.800 -0.105 0.000 0.955 325 D HN 0.411 nan 8.370 nan 0.000 0.465 326 M N -0.064 119.390 119.600 -0.245 0.000 2.099 326 M HA -0.107 4.386 4.480 0.022 0.000 0.262 326 M C 2.373 178.671 176.300 -0.003 0.000 1.067 326 M CA 1.076 56.209 55.300 -0.280 0.000 1.124 326 M CB -0.159 32.049 32.600 -0.654 0.000 1.353 326 M HN -0.108 nan 8.290 nan 0.000 0.410 327 R N 0.586 121.004 120.500 -0.136 0.000 2.091 327 R HA -0.188 4.165 4.340 0.022 0.000 0.238 327 R C 2.056 178.374 176.300 0.030 0.000 1.136 327 R CA 1.806 57.889 56.100 -0.028 0.000 0.959 327 R CB -0.143 30.062 30.300 -0.158 0.000 0.856 327 R HN 0.467 nan 8.270 nan 0.000 0.437 328 Q N -0.404 119.388 119.800 -0.013 0.000 2.124 328 Q HA -0.170 4.183 4.340 0.022 0.000 0.202 328 Q C 2.233 178.263 176.000 0.051 0.000 0.977 328 Q CA 1.434 57.244 55.803 0.010 0.000 0.850 328 Q CB -0.100 28.627 28.738 -0.018 0.000 0.901 328 Q HN 0.307 nan 8.270 nan 0.000 0.429 329 R N 0.645 121.202 120.500 0.094 0.000 2.075 329 R HA -0.098 4.256 4.340 0.022 0.000 0.232 329 R C 2.113 178.476 176.300 0.105 0.000 1.126 329 R CA 0.993 57.163 56.100 0.116 0.000 0.963 329 R CB -0.092 30.326 30.300 0.197 0.000 0.858 329 R HN 0.244 nan 8.270 nan 0.000 0.435 330 I N 0.755 121.416 120.570 0.150 0.000 2.226 330 I HA -0.299 3.884 4.170 0.022 0.000 0.245 330 I C 2.334 178.491 176.117 0.068 0.000 1.100 330 I CA 1.404 62.768 61.300 0.106 0.000 1.374 330 I CB -0.348 37.741 38.000 0.149 0.000 1.057 330 I HN 0.288 nan 8.210 nan 0.000 0.413 331 Q N 0.380 120.225 119.800 0.073 0.000 2.124 331 Q HA -0.193 4.160 4.340 0.022 0.000 0.202 331 Q C 2.378 178.406 176.000 0.047 0.000 0.977 331 Q CA 1.314 57.153 55.803 0.060 0.000 0.850 331 Q CB -0.169 28.601 28.738 0.053 0.000 0.901 331 Q HN 0.457 nan 8.270 nan 0.000 0.429 332 R N -0.268 120.257 120.500 0.041 0.000 2.115 332 R HA -0.016 4.337 4.340 0.022 0.000 0.230 332 R C 2.166 178.483 176.300 0.028 0.000 1.111 332 R CA 0.858 56.976 56.100 0.031 0.000 0.976 332 R CB 0.020 30.335 30.300 0.026 0.000 0.870 332 R HN 0.268 nan 8.270 nan 0.000 0.445 333 M N 0.064 119.678 119.600 0.024 0.000 2.229 333 M HA -0.122 4.372 4.480 0.022 0.000 0.264 333 M C 1.959 178.281 176.300 0.036 0.000 1.063 333 M CA 1.523 56.830 55.300 0.012 0.000 1.114 333 M CB -0.666 31.920 32.600 -0.024 0.000 1.387 333 M HN 0.082 nan 8.290 nan 0.000 0.420 334 R N -0.419 120.105 120.500 0.040 0.000 2.081 334 R HA -0.161 4.193 4.340 0.022 0.000 0.235 334 R C 2.321 178.670 176.300 0.081 0.000 1.131 334 R CA 1.075 57.218 56.100 0.071 0.000 0.960 334 R CB -0.213 30.132 30.300 0.074 0.000 0.856 334 R HN 0.413 nan 8.270 nan 0.000 0.436 335 Q N 0.412 120.242 119.800 0.050 0.000 2.016 335 Q HA -0.110 4.243 4.340 0.022 0.000 0.200 335 Q C 2.201 178.210 176.000 0.015 0.000 0.978 335 Q CA 1.294 57.112 55.803 0.026 0.000 0.833 335 Q CB -0.225 28.525 28.738 0.020 0.000 0.895 335 Q HN 0.189 nan 8.270 nan 0.000 0.427 336 L N -0.026 121.213 121.223 0.027 0.000 2.079 336 L HA -0.165 4.188 4.340 0.022 0.000 0.210 336 L C 2.139 179.024 176.870 0.025 0.000 1.081 336 L CA 1.407 56.257 54.840 0.017 0.000 0.752 336 L CB -1.017 41.055 42.059 0.022 0.000 0.896 336 L HN 0.169 nan 8.230 nan 0.000 0.433 337 F N -0.484 119.391 119.950 -0.126 0.000 2.084 337 F HA -0.182 4.359 4.527 0.023 0.000 0.296 337 F C 2.333 178.005 175.800 -0.214 0.000 1.111 337 F CA 1.496 59.380 58.000 -0.193 0.000 1.224 337 F CB -0.560 38.291 39.000 -0.249 0.000 0.991 337 F HN -0.138 nan 8.300 nan 0.000 0.471 338 V N 1.147 120.924 119.914 -0.228 0.000 2.287 338 V HA -0.344 3.789 4.120 0.022 0.000 0.248 338 V C 2.323 178.278 176.094 -0.232 0.000 1.053 338 V CA 2.189 64.312 62.300 -0.296 0.000 1.027 338 V CB -0.901 30.847 31.823 -0.126 0.000 0.646 338 V HN 0.369 nan 8.190 nan 0.000 0.447 339 N N 0.292 118.909 118.700 -0.139 0.000 2.058 339 N HA -0.147 4.606 4.740 0.022 0.000 0.191 339 N C 1.906 177.337 175.510 -0.132 0.000 1.037 339 N CA 2.119 55.106 53.050 -0.105 0.000 0.848 339 N CB -0.766 37.684 38.487 -0.061 0.000 1.021 339 N HN 0.468 nan 8.380 nan 0.000 0.422 340 T N 1.982 116.447 114.554 -0.149 0.000 2.881 340 T HA -0.007 4.357 4.350 0.022 0.000 0.270 340 T C 2.103 176.673 174.700 -0.217 0.000 1.068 340 T CA 0.519 62.528 62.100 -0.151 0.000 1.131 340 T CB -0.119 68.677 68.868 -0.120 0.000 0.871 340 T HN 0.157 nan 8.240 nan 0.000 0.479 341 L N 0.398 121.417 121.223 -0.341 0.000 2.109 341 L HA -0.079 4.274 4.340 0.022 0.000 0.207 341 L C 2.874 179.619 176.870 -0.208 0.000 1.086 341 L CA 1.219 55.833 54.840 -0.377 0.000 0.760 341 L CB -0.424 41.264 42.059 -0.618 0.000 0.910 341 L HN 0.299 nan 8.230 nan 0.000 0.437 342 Q N 0.022 119.727 119.800 -0.159 0.000 2.079 342 Q HA -0.219 4.134 4.340 0.022 0.000 0.200 342 Q C 1.814 177.770 176.000 -0.073 0.000 0.974 342 Q CA 1.694 57.443 55.803 -0.089 0.000 0.840 342 Q CB -0.007 28.690 28.738 -0.069 0.000 0.898 342 Q HN 0.613 nan 8.270 nan 0.000 0.430 343 E N -0.085 120.067 120.200 -0.081 0.000 2.502 343 E HA -0.048 4.316 4.350 0.022 0.000 0.194 343 E C 1.120 177.682 176.600 -0.064 0.000 1.062 343 E CA 0.330 56.693 56.400 -0.061 0.000 0.867 343 E CB 0.217 29.885 29.700 -0.055 0.000 0.888 343 E HN -0.017 nan 8.360 nan 0.000 0.510 344 K N 0.205 120.553 120.400 -0.086 0.000 2.358 344 K HA 0.122 4.455 4.320 0.022 0.000 0.197 344 K C 0.957 177.516 176.600 -0.069 0.000 1.025 344 K CA 0.610 56.847 56.287 -0.084 0.000 1.104 344 K CB 1.170 33.599 32.500 -0.118 0.000 0.855 344 K HN 0.355 nan 8.250 nan 0.000 0.531 345 G N 1.200 109.965 108.800 -0.059 0.000 2.144 345 G HA2 -0.259 3.714 3.960 0.022 0.000 0.218 345 G HA3 -0.259 3.714 3.960 0.022 0.000 0.218 345 G C 0.256 175.139 174.900 -0.028 0.000 0.988 345 G CA 0.029 45.107 45.100 -0.037 0.000 0.659 345 G HN 0.411 nan 8.290 nan 0.000 0.522 346 A N 0.988 123.782 122.820 -0.044 0.000 2.561 346 A HA 0.410 4.743 4.320 0.022 0.000 0.251 346 A C 1.313 178.924 177.584 0.045 0.000 1.062 346 A CA 0.829 52.865 52.037 -0.002 0.000 0.761 346 A CB 0.074 19.062 19.000 -0.021 0.000 0.986 346 A HN 1.075 nan 8.150 nan 0.000 0.510 347 N N 2.955 121.693 118.700 0.064 0.000 2.410 347 N HA 0.052 4.805 4.740 0.022 0.000 0.231 347 N C 0.131 175.683 175.510 0.070 0.000 1.172 347 N CA 0.115 53.198 53.050 0.055 0.000 0.849 347 N CB 0.167 38.681 38.487 0.044 0.000 1.116 347 N HN 0.715 nan 8.380 nan 0.000 0.485 348 R N -0.191 120.372 120.500 0.106 0.000 2.680 348 R HA 0.143 4.496 4.340 0.022 0.000 0.269 348 R C -2.132 174.184 176.300 0.027 0.000 1.026 348 R CA -0.649 55.476 56.100 0.041 0.000 0.889 348 R CB 1.588 31.893 30.300 0.009 0.000 1.241 348 R HN 0.021 nan 8.270 nan 0.000 0.463 349 D N 2.025 122.372 120.400 -0.088 0.000 2.359 349 D HA 0.204 4.858 4.640 0.022 0.000 0.230 349 D C -0.806 175.364 176.300 -0.217 0.000 1.118 349 D CA -0.150 53.817 54.000 -0.055 0.000 0.844 349 D CB 0.446 41.245 40.800 -0.001 0.000 1.059 349 D HN 0.352 nan 8.370 nan 0.000 0.493 350 F N 2.114 121.954 119.950 -0.184 0.000 2.925 350 F HA 0.135 4.675 4.527 0.022 0.000 0.302 350 F C 1.949 177.429 175.800 -0.534 0.000 1.189 350 F CA -0.344 57.369 58.000 -0.478 0.000 1.346 350 F CB 0.101 38.835 39.000 -0.443 0.000 0.954 350 F HN 0.369 nan 8.300 nan 0.000 0.506 351 S N -0.545 115.039 115.700 -0.193 0.000 2.489 351 S HA -0.172 4.311 4.470 0.022 0.000 0.228 351 S C 1.845 176.412 174.600 -0.055 0.000 0.995 351 S CA 0.319 58.466 58.200 -0.088 0.000 0.934 351 S CB -1.026 62.176 63.200 0.003 0.000 0.771 351 S HN 0.476 nan 8.310 nan 0.000 0.522 352 F N 3.281 123.273 119.950 0.070 0.000 2.546 352 F HA 0.100 4.640 4.527 0.022 0.000 0.298 352 F C 2.164 178.063 175.800 0.166 0.000 1.120 352 F CA 0.795 58.841 58.000 0.078 0.000 1.456 352 F CB -1.788 37.184 39.000 -0.047 0.000 1.088 352 F HN 0.297 nan 8.300 nan 0.000 0.572 353 T N -1.830 112.658 114.554 -0.109 0.000 3.035 353 T HA -0.025 4.338 4.350 0.022 0.000 0.268 353 T C 1.743 176.561 174.700 0.197 0.000 1.109 353 T CA 0.900 63.114 62.100 0.190 0.000 1.119 353 T CB -0.607 68.390 68.868 0.215 0.000 0.900 353 T HN 0.303 nan 8.240 nan 0.000 0.503 354 I N 1.543 122.190 120.570 0.129 0.000 2.493 354 I HA 0.004 4.187 4.170 0.022 0.000 0.254 354 I C 2.265 178.470 176.117 0.146 0.000 1.160 354 I CA 1.126 62.498 61.300 0.119 0.000 1.445 354 I CB -0.764 37.286 38.000 0.084 0.000 1.086 354 I HN 0.421 nan 8.210 nan 0.000 0.433 355 K N 0.543 121.056 120.400 0.187 0.000 2.365 355 K HA 0.017 4.350 4.320 0.022 0.000 0.197 355 K C 0.572 177.299 176.600 0.211 0.000 1.042 355 K CA 0.061 56.461 56.287 0.189 0.000 0.987 355 K CB 0.035 32.658 32.500 0.205 0.000 0.779 355 K HN 0.444 nan 8.250 nan 0.000 0.484 356 Q N 1.867 121.817 119.800 0.249 0.000 2.297 356 Q HA 0.086 4.439 4.340 0.022 0.000 0.267 356 Q C -0.509 175.608 176.000 0.193 0.000 1.006 356 Q CA -0.128 55.827 55.803 0.254 0.000 0.896 356 Q CB 0.592 29.520 28.738 0.317 0.000 1.186 356 Q HN 0.101 nan 8.270 nan 0.000 0.392 357 N N 1.292 120.100 118.700 0.180 0.000 2.509 357 N HA 0.565 5.318 4.740 0.022 0.000 0.287 357 N C 0.289 175.851 175.510 0.087 0.000 1.121 357 N CA 0.453 53.591 53.050 0.147 0.000 0.977 357 N CB 1.652 40.244 38.487 0.175 0.000 1.167 357 N HN 0.839 nan 8.380 nan 0.000 0.476 358 G N 0.213 109.039 108.800 0.043 0.000 2.428 358 G HA2 -0.200 3.774 3.960 0.022 0.000 0.202 358 G HA3 -0.200 3.774 3.960 0.022 0.000 0.202 358 G C 0.354 175.115 174.900 -0.231 0.000 1.247 358 G CA -0.201 44.809 45.100 -0.150 0.000 1.020 358 G HN 0.448 nan 8.290 nan 0.000 0.529 359 M N -0.227 119.010 119.600 -0.604 0.000 2.510 359 M HA 0.351 4.844 4.480 0.022 0.000 0.256 359 M C 0.312 176.240 176.300 -0.620 0.000 1.132 359 M CA 0.757 55.652 55.300 -0.674 0.000 1.105 359 M CB 0.169 32.169 32.600 -1.000 0.000 1.375 359 M HN 0.231 nan 8.290 nan 0.000 0.477 360 F N -0.340 119.587 119.950 -0.038 0.000 2.457 360 F HA 0.522 5.062 4.527 0.022 0.000 0.330 360 F C -0.384 175.516 175.800 0.167 0.000 1.069 360 F CA -1.497 56.531 58.000 0.046 0.000 1.009 360 F CB 0.579 39.587 39.000 0.014 0.000 1.276 360 F HN -0.179 nan 8.300 nan 0.000 0.492 361 F N 2.348 122.477 119.950 0.297 0.000 2.507 361 F HA 0.686 5.226 4.527 0.021 0.000 0.325 361 F C -1.821 174.211 175.800 0.386 0.000 1.116 361 F CA -1.875 56.276 58.000 0.252 0.000 0.930 361 F CB 1.345 40.389 39.000 0.073 0.000 1.146 361 F HN 0.319 nan 8.300 nan 0.000 0.447 362 F N 3.937 123.553 119.950 -0.555 0.000 2.645 362 F HA 0.594 5.134 4.527 0.022 0.000 0.310 362 F C 0.347 176.000 175.800 -0.245 0.000 1.102 362 F CA -0.109 57.626 58.000 -0.441 0.000 0.952 362 F CB 2.363 41.261 39.000 -0.171 0.000 1.326 362 F HN 0.859 nan 8.300 nan 0.000 0.456 363 G N 1.732 109.833 108.800 -1.164 0.000 2.157 363 G HA2 -0.114 3.859 3.960 0.022 0.000 0.239 363 G HA3 -0.114 3.859 3.960 0.022 0.000 0.239 363 G C 0.594 175.463 174.900 -0.050 0.000 0.982 363 G CA 0.212 44.999 45.100 -0.521 0.000 0.650 363 G HN 1.700 nan 8.290 nan 0.000 0.527 364 G N -0.982 107.833 108.800 0.026 0.000 3.274 364 G HA2 0.568 4.541 3.960 0.022 0.000 0.250 364 G HA3 0.568 4.541 3.960 0.022 0.000 0.250 364 G C -0.030 175.075 174.900 0.341 0.000 1.024 364 G CA 0.156 45.508 45.100 0.419 0.000 0.840 364 G HN 0.467 nan 8.290 nan 0.000 0.522 365 L N 1.176 122.478 121.223 0.133 0.000 2.354 365 L HA 0.608 4.962 4.340 0.022 0.000 0.264 365 L C 0.458 177.349 176.870 0.036 0.000 1.008 365 L CA -0.712 54.201 54.840 0.122 0.000 0.819 365 L CB 2.111 44.255 42.059 0.141 0.000 1.339 365 L HN 0.092 nan 8.230 nan 0.000 0.420 366 T N -2.342 112.244 114.554 0.053 0.000 2.912 366 T HA 0.379 4.742 4.350 0.022 0.000 0.280 366 T C 0.925 175.645 174.700 0.034 0.000 0.989 366 T CA -0.402 61.718 62.100 0.033 0.000 0.995 366 T CB 1.107 69.998 68.868 0.039 0.000 1.077 366 T HN 0.645 nan 8.240 nan 0.000 0.531 367 K N 0.362 120.779 120.400 0.028 0.000 2.147 367 K HA -0.071 4.262 4.320 0.022 0.000 0.205 367 K C 1.659 178.275 176.600 0.026 0.000 1.049 367 K CA 1.459 57.762 56.287 0.027 0.000 0.936 367 K CB -0.356 32.158 32.500 0.023 0.000 0.722 367 K HN 0.598 nan 8.250 nan 0.000 0.446 368 E N 1.254 121.471 120.200 0.029 0.000 2.072 368 E HA -0.122 4.241 4.350 0.022 0.000 0.191 368 E C 2.145 178.768 176.600 0.039 0.000 0.985 368 E CA 1.469 57.886 56.400 0.029 0.000 0.801 368 E CB -0.151 29.567 29.700 0.029 0.000 0.750 368 E HN 0.461 nan 8.360 nan 0.000 0.452 369 Q N -0.045 119.787 119.800 0.052 0.000 2.096 369 Q HA -0.137 4.217 4.340 0.022 0.000 0.204 369 Q C 2.227 178.266 176.000 0.065 0.000 0.982 369 Q CA 1.476 57.321 55.803 0.070 0.000 0.850 369 Q CB -0.112 28.677 28.738 0.085 0.000 0.901 369 Q HN 0.167 nan 8.270 nan 0.000 0.422 370 V N 1.145 121.089 119.914 0.051 0.000 2.343 370 V HA -0.252 3.881 4.120 0.022 0.000 0.247 370 V C 2.146 178.242 176.094 0.004 0.000 1.051 370 V CA 1.422 63.743 62.300 0.036 0.000 1.036 370 V CB -0.474 31.369 31.823 0.034 0.000 0.654 370 V HN 0.379 nan 8.190 nan 0.000 0.451 371 L N -0.243 120.982 121.223 0.003 0.000 2.046 371 L HA -0.187 4.166 4.340 0.022 0.000 0.208 371 L C 2.777 179.635 176.870 -0.020 0.000 1.077 371 L CA 1.772 56.599 54.840 -0.020 0.000 0.747 371 L CB -0.273 41.781 42.059 -0.008 0.000 0.896 371 L HN 0.252 nan 8.230 nan 0.000 0.432 372 R N -0.232 120.280 120.500 0.020 0.000 2.092 372 R HA -0.149 4.204 4.340 0.022 0.000 0.231 372 R C 2.293 178.653 176.300 0.100 0.000 1.119 372 R CA 1.139 57.264 56.100 0.043 0.000 0.970 372 R CB -0.169 30.180 30.300 0.082 0.000 0.864 372 R HN 0.364 nan 8.270 nan 0.000 0.440 373 L N 0.381 121.683 121.223 0.130 0.000 2.046 373 L HA -0.199 4.155 4.340 0.022 0.000 0.208 373 L C 2.906 179.820 176.870 0.074 0.000 1.077 373 L CA 1.538 56.501 54.840 0.204 0.000 0.747 373 L CB -0.468 41.648 42.059 0.095 0.000 0.896 373 L HN 0.274 nan 8.230 nan 0.000 0.432 374 R N 0.109 120.544 120.500 -0.108 0.000 2.064 374 R HA -0.151 4.203 4.340 0.022 0.000 0.228 374 R C 2.210 178.382 176.300 -0.214 0.000 1.144 374 R CA 1.447 57.339 56.100 -0.347 0.000 0.932 374 R CB -0.142 29.869 30.300 -0.481 0.000 0.833 374 R HN 0.241 nan 8.270 nan 0.000 0.429 375 E N 0.474 120.589 120.200 -0.142 0.000 2.085 375 E HA -0.242 4.121 4.350 0.022 0.000 0.194 375 E C 1.760 178.281 176.600 -0.133 0.000 0.994 375 E CA 1.580 57.918 56.400 -0.105 0.000 0.801 375 E CB -0.123 29.529 29.700 -0.079 0.000 0.743 375 E HN 0.561 nan 8.360 nan 0.000 0.453 376 E N -1.287 118.793 120.200 -0.200 0.000 2.307 376 E HA -0.009 4.354 4.350 0.022 0.000 0.195 376 E C 0.897 177.128 176.600 -0.616 0.000 0.975 376 E CA 0.112 56.248 56.400 -0.439 0.000 0.878 376 E CB 0.261 29.586 29.700 -0.625 0.000 0.845 376 E HN 0.110 nan 8.360 nan 0.000 0.488 377 F N -0.934 119.001 119.950 -0.025 0.000 2.706 377 F HA 0.370 4.910 4.527 0.022 0.000 0.313 377 F C 1.283 177.089 175.800 0.010 0.000 1.096 377 F CA 0.369 58.365 58.000 -0.006 0.000 1.219 377 F CB 1.447 40.443 39.000 -0.007 0.000 1.051 377 F HN 0.098 nan 8.300 nan 0.000 0.568 378 G N 1.301 110.173 108.800 0.120 0.000 2.179 378 G HA2 -0.258 3.716 3.960 0.022 0.000 0.257 378 G HA3 -0.258 3.716 3.960 0.022 0.000 0.257 378 G C -0.112 174.922 174.900 0.223 0.000 1.010 378 G CA 0.266 45.468 45.100 0.170 0.000 0.736 378 G HN 0.168 nan 8.290 nan 0.000 0.513 379 V N 0.728 120.707 119.914 0.107 0.000 2.383 379 V HA 0.534 4.667 4.120 0.022 0.000 0.275 379 V C -0.054 176.037 176.094 -0.005 0.000 1.036 379 V CA -0.823 61.552 62.300 0.124 0.000 0.889 379 V CB 0.847 32.724 31.823 0.090 0.000 0.985 379 V HN 0.230 nan 8.190 nan 0.000 0.459 380 Y N 3.292 123.626 120.300 0.055 0.000 2.328 380 Y HA 0.754 5.317 4.550 0.023 0.000 0.337 380 Y C 0.430 176.363 175.900 0.054 0.000 1.008 380 Y CA -0.260 57.870 58.100 0.050 0.000 1.129 380 Y CB 1.801 40.283 38.460 0.037 0.000 1.185 380 Y HN 0.766 nan 8.280 nan 0.000 0.476 381 A N 1.658 124.560 122.820 0.137 0.000 2.593 381 A HA 0.771 5.104 4.320 0.022 0.000 0.290 381 A C -1.501 176.140 177.584 0.094 0.000 1.126 381 A CA -0.840 51.269 52.037 0.120 0.000 0.695 381 A CB 0.689 19.751 19.000 0.104 0.000 1.290 381 A HN 0.393 nan 8.150 nan 0.000 0.414 382 V N 1.415 121.377 119.914 0.081 0.000 2.614 382 V HA 0.356 4.489 4.120 0.022 0.000 0.291 382 V C 1.797 177.922 176.094 0.052 0.000 1.049 382 V CA 0.598 62.930 62.300 0.054 0.000 1.038 382 V CB 0.909 32.746 31.823 0.023 0.000 0.980 382 V HN 1.414 nan 8.190 nan 0.000 0.481 383 A N 3.623 126.466 122.820 0.039 0.000 2.139 383 A HA -0.158 4.175 4.320 0.022 0.000 0.221 383 A C 2.231 179.843 177.584 0.047 0.000 1.159 383 A CA 2.004 54.062 52.037 0.035 0.000 0.662 383 A CB -0.548 18.465 19.000 0.023 0.000 0.796 383 A HN 1.113 nan 8.150 nan 0.000 0.463 384 S N -2.075 113.666 115.700 0.069 0.000 2.561 384 S HA 0.341 4.824 4.470 0.022 0.000 0.225 384 S C 1.397 176.064 174.600 0.112 0.000 0.977 384 S CA 1.064 59.338 58.200 0.124 0.000 0.926 384 S CB -0.360 62.952 63.200 0.186 0.000 0.769 384 S HN 1.961 nan 8.310 nan 0.000 0.533 385 G N 1.048 109.890 108.800 0.070 0.000 2.131 385 G HA2 -0.239 3.735 3.960 0.022 0.000 0.223 385 G HA3 -0.239 3.735 3.960 0.022 0.000 0.223 385 G C -0.049 174.876 174.900 0.041 0.000 0.990 385 G CA -0.105 45.001 45.100 0.010 0.000 0.671 385 G HN 0.653 nan 8.290 nan 0.000 0.521 386 R N 0.392 120.978 120.500 0.143 0.000 2.221 386 R HA 0.637 4.991 4.340 0.022 0.000 0.327 386 R C 0.087 176.479 176.300 0.154 0.000 1.033 386 R CA -0.501 55.694 56.100 0.159 0.000 0.887 386 R CB 0.215 30.523 30.300 0.014 0.000 1.057 386 R HN 0.258 nan 8.270 nan 0.000 0.455 387 L N 3.288 124.660 121.223 0.249 0.000 2.334 387 L HA 0.332 4.685 4.340 0.022 0.000 0.276 387 L C -0.024 177.049 176.870 0.339 0.000 1.014 387 L CA -1.139 53.856 54.840 0.259 0.000 0.815 387 L CB 1.646 43.856 42.059 0.252 0.000 1.268 387 L HN 0.559 nan 8.230 nan 0.000 0.428 388 N N 1.515 120.372 118.700 0.262 0.000 2.482 388 N HA 0.114 4.867 4.740 0.022 0.000 0.242 388 N C 0.613 176.118 175.510 -0.008 0.000 1.100 388 N CA -0.148 53.020 53.050 0.197 0.000 0.946 388 N CB 1.257 39.840 38.487 0.160 0.000 1.227 388 N HN 0.423 nan 8.380 nan 0.000 0.508 389 V N 3.215 123.096 119.914 -0.055 0.000 2.469 389 V HA -0.234 3.899 4.120 0.022 0.000 0.251 389 V C 2.182 178.195 176.094 -0.134 0.000 1.064 389 V CA 2.124 64.340 62.300 -0.140 0.000 1.066 389 V CB -1.000 30.762 31.823 -0.100 0.000 0.667 389 V HN 0.772 nan 8.190 nan 0.000 0.461 390 A N 0.322 123.061 122.820 -0.134 0.000 2.178 390 A HA 0.004 4.337 4.320 0.022 0.000 0.218 390 A C 2.189 179.654 177.584 -0.198 0.000 1.157 390 A CA 1.483 53.436 52.037 -0.140 0.000 0.689 390 A CB -0.657 18.293 19.000 -0.083 0.000 0.787 390 A HN 0.562 nan 8.150 nan 0.000 0.465 391 G N -1.391 107.326 108.800 -0.139 0.000 2.939 391 G HA2 0.307 4.280 3.960 0.022 0.000 0.210 391 G HA3 0.307 4.280 3.960 0.022 0.000 0.210 391 G C 0.590 175.420 174.900 -0.116 0.000 1.160 391 G CA -0.323 44.705 45.100 -0.121 0.000 0.770 391 G HN 0.453 nan 8.290 nan 0.000 0.543 392 M N 2.213 121.735 119.600 -0.130 0.000 2.185 392 M HA 0.359 4.852 4.480 0.022 0.000 0.357 392 M C 0.330 176.573 176.300 -0.095 0.000 1.260 392 M CA 0.036 55.268 55.300 -0.113 0.000 1.124 392 M CB 1.357 33.868 32.600 -0.148 0.000 1.600 392 M HN 0.122 nan 8.290 nan 0.000 0.467 393 T N -0.476 114.038 114.554 -0.067 0.000 2.907 393 T HA 0.502 4.865 4.350 0.022 0.000 0.290 393 T C -2.471 172.211 174.700 -0.030 0.000 1.066 393 T CA -1.867 60.200 62.100 -0.054 0.000 1.012 393 T CB 1.693 70.529 68.868 -0.052 0.000 1.184 393 T HN 0.273 nan 8.240 nan 0.000 0.522 394 P HA -0.028 nan 4.420 nan 0.000 0.219 394 P C 0.805 178.098 177.300 -0.011 0.000 1.146 394 P CA 0.904 63.996 63.100 -0.013 0.000 0.808 394 P CB 0.079 31.774 31.700 -0.010 0.000 0.779 395 D N -0.789 119.603 120.400 -0.013 0.000 2.137 395 D HA -0.090 4.563 4.640 0.022 0.000 0.202 395 D C 1.374 177.669 176.300 -0.007 0.000 0.970 395 D CA 1.208 55.203 54.000 -0.009 0.000 0.837 395 D CB -0.657 40.138 40.800 -0.009 0.000 0.981 395 D HN 0.332 nan 8.370 nan 0.000 0.475 396 N N 0.653 119.347 118.700 -0.010 0.000 2.336 396 N HA -0.054 4.700 4.740 0.022 0.000 0.189 396 N C 1.604 177.112 175.510 -0.005 0.000 1.113 396 N CA 0.021 53.068 53.050 -0.005 0.000 0.858 396 N CB -0.338 38.145 38.487 -0.007 0.000 0.970 396 N HN 0.022 nan 8.380 nan 0.000 0.471 397 L N 0.574 121.795 121.223 -0.004 0.000 2.017 397 L HA 0.084 4.437 4.340 0.022 0.000 0.208 397 L C 2.282 179.153 176.870 0.001 0.000 1.073 397 L CA 1.652 56.498 54.840 0.011 0.000 0.745 397 L CB -1.149 40.919 42.059 0.015 0.000 0.894 397 L HN 0.271 nan 8.230 nan 0.000 0.432 398 A N 0.653 123.465 122.820 -0.013 0.000 1.851 398 A HA -0.114 4.219 4.320 0.022 0.000 0.216 398 A C 0.009 177.570 177.584 -0.038 0.000 1.195 398 A CA 2.003 54.023 52.037 -0.029 0.000 0.622 398 A CB -2.237 16.750 19.000 -0.023 0.000 0.831 398 A HN 0.485 nan 8.150 nan 0.000 0.444 399 P HA -0.148 nan 4.420 nan 0.000 0.218 399 P C 1.682 178.946 177.300 -0.060 0.000 1.148 399 P CA 1.290 64.374 63.100 -0.027 0.000 0.822 399 P CB -0.179 31.525 31.700 0.007 0.000 0.784 400 L N 0.419 121.621 121.223 -0.035 0.000 2.017 400 L HA -0.119 4.235 4.340 0.022 0.000 0.208 400 L C 2.434 179.260 176.870 -0.073 0.000 1.073 400 L CA 2.004 56.823 54.840 -0.034 0.000 0.745 400 L CB -1.470 40.596 42.059 0.012 0.000 0.894 400 L HN -0.045 nan 8.230 nan 0.000 0.432 401 C N 0.008 119.267 119.300 -0.067 0.000 2.440 401 C HA -0.090 4.383 4.460 0.022 0.000 0.278 401 C C 2.535 177.407 174.990 -0.196 0.000 1.295 401 C CA 0.761 59.691 59.018 -0.146 0.000 1.738 401 C CB -1.000 26.632 27.740 -0.179 0.000 1.987 401 C HN 0.600 nan 8.230 nan 0.000 0.492 402 E N 1.275 121.369 120.200 -0.176 0.000 2.085 402 E HA -0.193 4.170 4.350 0.022 0.000 0.194 402 E C 2.375 178.762 176.600 -0.354 0.000 0.994 402 E CA 1.446 57.730 56.400 -0.195 0.000 0.801 402 E CB -0.272 29.351 29.700 -0.129 0.000 0.743 402 E HN 0.699 nan 8.360 nan 0.000 0.453 403 A N 1.319 123.825 122.820 -0.522 0.000 1.898 403 A HA -0.154 4.179 4.320 0.022 0.000 0.216 403 A C 2.186 179.372 177.584 -0.662 0.000 1.181 403 A CA 0.972 52.342 52.037 -1.112 0.000 0.620 403 A CB -0.520 17.899 19.000 -0.968 0.000 0.819 403 A HN 0.122 nan 8.150 nan 0.000 0.442 404 I N -0.268 120.094 120.570 -0.347 0.000 2.179 404 I HA -0.207 3.976 4.170 0.022 0.000 0.242 404 I C 2.255 178.269 176.117 -0.171 0.000 1.088 404 I CA 1.171 62.347 61.300 -0.205 0.000 1.357 404 I CB -0.296 37.593 38.000 -0.185 0.000 1.051 404 I HN 0.141 nan 8.210 nan 0.000 0.409 405 V N 1.221 121.021 119.914 -0.191 0.000 2.594 405 V HA -0.176 3.957 4.120 0.022 0.000 0.253 405 V C 1.486 177.537 176.094 -0.073 0.000 1.069 405 V CA 1.161 63.390 62.300 -0.118 0.000 1.082 405 V CB -1.249 30.503 31.823 -0.119 0.000 0.680 405 V HN 0.412 nan 8.190 nan 0.000 0.469 409 L N 0.000 121.263 121.223 0.067 0.000 2.949 409 L HA 0.000 4.353 4.340 0.022 0.000 0.249 409 L CA 0.000 54.898 54.840 0.098 0.000 0.813 409 L CB 0.000 42.131 42.059 0.120 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502