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 1asm_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 0.000 176.144 176.300 -0.259 0.000 1.140 5 M CA 0.000 55.077 55.300 -0.371 0.000 0.988 5 M CB 0.000 32.225 32.600 -0.625 0.000 1.302 6 F N 0.767 120.717 119.950 0.000 0.000 2.746 6 F HA 0.342 4.868 4.527 -0.001 0.000 0.297 6 F C 1.540 177.340 175.800 -0.000 0.000 1.113 6 F CA 0.451 58.451 58.000 -0.000 0.000 1.367 6 F CB -0.652 38.348 39.000 0.000 0.000 1.111 6 F HN 0.114 nan 8.300 nan 0.000 0.590 7 E N 0.442 120.706 120.200 0.106 0.000 2.171 7 E HA -0.246 4.103 4.350 -0.001 0.000 0.197 7 E C 1.076 177.711 176.600 0.057 0.000 0.997 7 E CA 1.518 57.958 56.400 0.068 0.000 0.810 7 E CB -0.508 29.208 29.700 0.026 0.000 0.738 7 E HN 0.376 nan 8.360 nan 0.000 0.467 8 N N -0.510 118.224 118.700 0.056 0.000 2.238 8 N HA 0.195 4.934 4.740 -0.001 0.000 0.222 8 N C -0.769 174.770 175.510 0.049 0.000 1.133 8 N CA -0.196 52.879 53.050 0.042 0.000 0.854 8 N CB 0.449 38.952 38.487 0.027 0.000 1.041 8 N HN 0.019 nan 8.380 nan 0.000 0.510 9 I N 1.373 121.986 120.570 0.072 0.000 2.471 9 I HA 0.023 4.192 4.170 -0.001 0.000 0.286 9 I C 0.792 176.929 176.117 0.035 0.000 1.079 9 I CA -0.210 61.127 61.300 0.061 0.000 1.398 9 I CB 0.753 38.800 38.000 0.077 0.000 1.403 9 I HN 0.132 nan 8.210 nan 0.000 0.530 10 T N 3.320 117.887 114.554 0.021 0.000 2.913 10 T HA 0.619 4.969 4.350 -0.001 0.000 0.287 10 T C 0.171 174.873 174.700 0.003 0.000 1.008 10 T CA -1.039 61.067 62.100 0.011 0.000 1.067 10 T CB 1.490 70.362 68.868 0.007 0.000 0.996 10 T HN 0.653 nan 8.240 nan 0.000 0.513 11 A N 1.730 124.550 122.820 -0.000 0.000 2.488 11 A HA 0.584 4.903 4.320 -0.001 0.000 0.249 11 A C 0.837 178.415 177.584 -0.010 0.000 1.083 11 A CA -0.382 51.651 52.037 -0.007 0.000 0.768 11 A CB -0.731 18.266 19.000 -0.005 0.000 1.017 11 A HN 1.402 nan 8.150 nan 0.000 0.496 12 A N 4.357 127.167 122.820 -0.016 0.000 2.354 12 A HA 0.616 4.936 4.320 -0.001 0.000 0.269 12 A C -1.521 176.053 177.584 -0.018 0.000 1.109 12 A CA -1.198 50.827 52.037 -0.019 0.000 0.800 12 A CB -0.399 18.585 19.000 -0.026 0.000 1.045 12 A HN 0.809 nan 8.150 nan 0.000 0.489 13 P HA 0.380 nan 4.420 nan 0.000 0.271 13 P C -0.001 177.287 177.300 -0.021 0.000 1.216 13 P CA -0.026 63.064 63.100 -0.018 0.000 0.771 13 P CB 0.852 32.540 31.700 -0.021 0.000 0.864 14 A N 2.603 125.416 122.820 -0.012 0.000 2.507 14 A HA 0.019 4.339 4.320 -0.001 0.000 0.235 14 A C 0.362 177.934 177.584 -0.021 0.000 1.070 14 A CA -0.119 51.911 52.037 -0.011 0.000 0.768 14 A CB -0.448 18.555 19.000 0.005 0.000 1.011 14 A HN 0.669 nan 8.150 nan 0.000 0.502 15 D N 1.362 121.746 120.400 -0.027 0.000 2.455 15 D HA 0.193 4.833 4.640 -0.001 0.000 0.241 15 D C -1.017 175.263 176.300 -0.033 0.000 1.138 15 D CA -0.761 53.211 54.000 -0.047 0.000 0.877 15 D CB 0.827 41.596 40.800 -0.052 0.000 1.187 15 D HN 0.267 nan 8.370 nan 0.000 0.451 16 P HA -0.116 nan 4.420 nan 0.000 0.220 16 P C 1.039 178.334 177.300 -0.009 0.000 1.148 16 P CA 1.138 64.222 63.100 -0.027 0.000 0.803 16 P CB 0.368 32.042 31.700 -0.044 0.000 0.782 17 I N -1.473 119.084 120.570 -0.021 0.000 2.726 17 I HA -0.053 4.116 4.170 -0.001 0.000 0.243 17 I C 2.161 178.292 176.117 0.023 0.000 1.082 17 I CA 0.294 61.600 61.300 0.010 0.000 1.447 17 I CB -0.629 37.389 38.000 0.031 0.000 1.250 17 I HN -0.231 nan 8.210 nan 0.000 0.453 18 L N 1.176 122.406 121.223 0.012 0.000 2.362 18 L HA -0.045 4.294 4.340 -0.001 0.000 0.219 18 L C 2.271 179.151 176.870 0.017 0.000 1.134 18 L CA 1.468 56.317 54.840 0.015 0.000 0.807 18 L CB -1.037 41.027 42.059 0.008 0.000 0.927 18 L HN 0.244 nan 8.230 nan 0.000 0.447 19 G N -1.343 107.469 108.800 0.020 0.000 2.430 19 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.216 19 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.216 19 G C 1.590 176.531 174.900 0.069 0.000 1.146 19 G CA 0.211 45.331 45.100 0.034 0.000 0.793 19 G HN 0.302 nan 8.290 nan 0.000 0.537 20 L N 0.817 122.093 121.223 0.089 0.000 2.042 20 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 20 L C 3.390 180.330 176.870 0.117 0.000 1.076 20 L CA 1.127 56.064 54.840 0.161 0.000 0.749 20 L CB -0.543 41.615 42.059 0.166 0.000 0.893 20 L HN 0.306 nan 8.230 nan 0.000 0.432 21 A N -0.289 122.554 122.820 0.039 0.000 2.032 21 A HA -0.254 4.066 4.320 -0.001 0.000 0.221 21 A C 1.924 179.534 177.584 0.043 0.000 1.165 21 A CA 2.061 54.096 52.037 -0.002 0.000 0.645 21 A CB -0.463 18.522 19.000 -0.025 0.000 0.807 21 A HN 0.392 nan 8.150 nan 0.000 0.453 22 D N -0.160 120.273 120.400 0.056 0.000 2.091 22 D HA -0.060 4.579 4.640 -0.001 0.000 0.199 22 D C 1.996 178.341 176.300 0.074 0.000 0.980 22 D CA 1.176 55.208 54.000 0.055 0.000 0.831 22 D CB -0.282 40.544 40.800 0.044 0.000 0.987 22 D HN 0.445 nan 8.370 nan 0.000 0.460 23 L N -0.093 121.203 121.223 0.122 0.000 2.017 23 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 23 L C 2.422 179.350 176.870 0.096 0.000 1.073 23 L CA 0.819 55.760 54.840 0.169 0.000 0.745 23 L CB -0.517 41.742 42.059 0.333 0.000 0.894 23 L HN -0.046 nan 8.230 nan 0.000 0.432 24 F N 0.549 120.361 119.950 -0.230 0.000 2.091 24 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 24 F C 2.710 178.354 175.800 -0.261 0.000 1.103 24 F CA 1.430 59.066 58.000 -0.607 0.000 1.228 24 F CB -0.107 38.492 39.000 -0.669 0.000 0.984 24 F HN -0.077 nan 8.300 nan 0.000 0.477 25 R N 0.731 121.264 120.500 0.055 0.000 2.096 25 R HA -0.112 4.228 4.340 -0.001 0.000 0.229 25 R C 2.290 178.559 176.300 -0.051 0.000 1.134 25 R CA 1.517 57.626 56.100 0.015 0.000 0.917 25 R CB -1.848 28.474 30.300 0.037 0.000 0.832 25 R HN 0.328 nan 8.270 nan 0.000 0.430 26 A N 1.617 124.424 122.820 -0.022 0.000 2.272 26 A HA -0.109 4.210 4.320 -0.001 0.000 0.213 26 A C 0.255 177.813 177.584 -0.045 0.000 1.183 26 A CA 0.465 52.488 52.037 -0.023 0.000 0.719 26 A CB -0.602 18.400 19.000 0.003 0.000 0.771 26 A HN 0.205 nan 8.150 nan 0.000 0.484 27 D N -0.167 120.170 120.400 -0.104 0.000 2.249 27 D HA 0.310 4.950 4.640 -0.001 0.000 0.246 27 D C 0.488 176.688 176.300 -0.168 0.000 1.114 27 D CA -0.170 53.755 54.000 -0.125 0.000 0.854 27 D CB 0.892 41.581 40.800 -0.185 0.000 1.132 27 D HN 0.362 nan 8.370 nan 0.000 0.461 28 E N 1.896 122.033 120.200 -0.104 0.000 2.481 28 E HA 0.096 4.446 4.350 -0.001 0.000 0.198 28 E C 0.144 176.694 176.600 -0.083 0.000 1.027 28 E CA -0.381 55.964 56.400 -0.091 0.000 0.900 28 E CB 0.578 30.245 29.700 -0.055 0.000 0.993 28 E HN 0.164 nan 8.360 nan 0.000 0.482 29 R N 2.464 122.914 120.500 -0.085 0.000 2.480 29 R HA -0.015 4.325 4.340 -0.001 0.000 0.303 29 R C -1.490 174.769 176.300 -0.068 0.000 0.985 29 R CA -0.669 55.398 56.100 -0.056 0.000 1.051 29 R CB 0.014 30.295 30.300 -0.031 0.000 0.935 29 R HN 0.135 nan 8.270 nan 0.000 0.410 30 P HA -0.137 nan 4.420 nan 0.000 0.215 30 P C 0.855 178.147 177.300 -0.012 0.000 1.153 30 P CA 1.397 64.480 63.100 -0.028 0.000 0.853 30 P CB 0.208 31.900 31.700 -0.013 0.000 0.788 31 G N 0.501 109.307 108.800 0.009 0.000 3.518 31 G HA2 0.072 4.031 3.960 -0.001 0.000 0.273 31 G HA3 0.072 4.031 3.960 -0.001 0.000 0.273 31 G C 0.358 175.298 174.900 0.067 0.000 1.199 31 G CA -0.444 44.680 45.100 0.039 0.000 0.899 31 G HN 0.391 nan 8.290 nan 0.000 0.533 32 K N 0.380 120.795 120.400 0.025 0.000 2.469 32 K HA 0.266 4.585 4.320 -0.001 0.000 0.274 32 K C -0.522 176.235 176.600 0.262 0.000 0.983 32 K CA 0.185 56.504 56.287 0.053 0.000 0.974 32 K CB 0.935 33.248 32.500 -0.311 0.000 0.913 32 K HN -0.028 nan 8.250 nan 0.000 0.493 33 I N 1.916 122.741 120.570 0.425 0.000 2.466 33 I HA 0.144 4.314 4.170 -0.001 0.000 0.289 33 I C -0.790 175.573 176.117 0.411 0.000 1.026 33 I CA -0.913 60.603 61.300 0.360 0.000 1.078 33 I CB 1.616 39.731 38.000 0.192 0.000 1.249 33 I HN 0.709 nan 8.210 nan 0.000 0.429 34 N N 7.188 125.867 118.700 -0.034 0.000 2.457 34 N HA 0.404 5.143 4.740 -0.001 0.000 0.250 34 N C -0.326 175.073 175.510 -0.185 0.000 0.982 34 N CA -0.250 52.533 53.050 -0.445 0.000 0.941 34 N CB 1.158 38.907 38.487 -1.231 0.000 1.120 34 N HN 0.619 nan 8.380 nan 0.000 0.505 35 L N 2.295 123.495 121.223 -0.038 0.000 3.168 35 L HA 0.379 4.718 4.340 -0.001 0.000 0.277 35 L C 1.584 178.472 176.870 0.030 0.000 1.245 35 L CA -0.368 54.461 54.840 -0.017 0.000 1.035 35 L CB 0.692 42.749 42.059 -0.004 0.000 1.399 35 L HN 0.498 nan 8.230 nan 0.000 0.580 36 G N 0.628 109.432 108.800 0.007 0.000 2.583 36 G HA2 0.077 4.036 3.960 -0.001 0.000 0.215 36 G HA3 0.077 4.036 3.960 -0.001 0.000 0.215 36 G C 0.594 175.525 174.900 0.052 0.000 1.481 36 G CA -0.278 44.844 45.100 0.037 0.000 0.948 36 G HN 0.086 nan 8.290 nan 0.000 0.511 37 I N 1.958 122.538 120.570 0.016 0.000 2.932 37 I HA 0.170 4.339 4.170 -0.001 0.000 0.295 37 I C 1.416 177.621 176.117 0.147 0.000 1.227 37 I CA 0.256 61.590 61.300 0.057 0.000 1.429 37 I CB 0.957 38.945 38.000 -0.020 0.000 1.339 37 I HN 0.213 nan 8.210 nan 0.000 0.589 38 G N 6.914 115.880 108.800 0.278 0.000 3.581 38 G HA2 0.326 4.286 3.960 -0.001 0.000 0.255 38 G HA3 0.326 4.286 3.960 -0.001 0.000 0.255 38 G C -0.343 174.621 174.900 0.106 0.000 1.121 38 G CA -0.176 45.139 45.100 0.359 0.000 1.739 38 G HN 0.338 nan 8.290 nan 0.000 0.646 39 V N 1.040 120.918 119.914 -0.061 0.000 2.435 39 V HA 0.284 4.404 4.120 -0.001 0.000 0.290 39 V C -0.316 175.738 176.094 -0.067 0.000 1.030 39 V CA -1.221 60.917 62.300 -0.270 0.000 0.881 39 V CB 1.329 32.835 31.823 -0.530 0.000 0.983 39 V HN 0.505 nan 8.190 nan 0.000 0.445 40 Y N 6.562 126.881 120.300 0.031 0.000 2.411 40 Y HA 0.353 4.903 4.550 -0.001 0.000 0.333 40 Y C 0.254 176.175 175.900 0.035 0.000 1.186 40 Y CA 0.242 58.386 58.100 0.074 0.000 1.381 40 Y CB 0.428 39.020 38.460 0.219 0.000 1.273 40 Y HN 0.451 nan 8.280 nan 0.000 0.546 41 K N 4.600 124.541 120.400 -0.764 0.000 2.385 41 K HA 0.247 4.567 4.320 -0.001 0.000 0.248 41 K C -1.026 175.077 176.600 -0.829 0.000 0.955 41 K CA -0.809 55.167 56.287 -0.518 0.000 0.816 41 K CB 1.707 34.014 32.500 -0.321 0.000 1.250 41 K HN 0.821 nan 8.250 nan 0.000 0.434 42 D N -0.171 120.027 120.400 -0.335 0.000 2.539 42 D HA 0.112 4.751 4.640 -0.001 0.000 0.280 42 D C 0.530 176.760 176.300 -0.116 0.000 1.208 42 D CA -0.314 53.589 54.000 -0.162 0.000 1.088 42 D CB 0.243 41.100 40.800 0.094 0.000 1.149 42 D HN 0.320 nan 8.370 nan 0.000 0.596 43 E N -1.223 118.955 120.200 -0.036 0.000 2.267 43 E HA -0.093 4.257 4.350 -0.001 0.000 0.197 43 E C 1.445 178.028 176.600 -0.029 0.000 0.998 43 E CA 1.854 58.237 56.400 -0.029 0.000 0.830 43 E CB -0.665 29.035 29.700 -0.001 0.000 0.751 43 E HN 0.662 nan 8.360 nan 0.000 0.491 44 T N -3.805 110.734 114.554 -0.024 0.000 3.069 44 T HA 0.390 4.739 4.350 -0.001 0.000 0.252 44 T C 1.454 176.139 174.700 -0.026 0.000 1.053 44 T CA 0.038 62.129 62.100 -0.016 0.000 0.964 44 T CB 0.410 69.277 68.868 -0.000 0.000 1.005 44 T HN 0.266 nan 8.240 nan 0.000 0.532 45 G N 1.233 110.000 108.800 -0.055 0.000 2.147 45 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.244 45 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.244 45 G C -0.169 174.695 174.900 -0.060 0.000 1.005 45 G CA 0.369 45.428 45.100 -0.069 0.000 0.713 45 G HN 0.898 nan 8.290 nan 0.000 0.515 46 K N -0.097 120.278 120.400 -0.043 0.000 2.281 46 K HA 0.762 5.082 4.320 -0.001 0.000 0.242 46 K C -0.167 176.440 176.600 0.011 0.000 0.971 46 K CA -0.408 55.873 56.287 -0.011 0.000 0.834 46 K CB 1.415 33.925 32.500 0.017 0.000 1.181 46 K HN -0.040 nan 8.250 nan 0.000 0.435 47 T N 5.280 119.860 114.554 0.044 0.000 3.149 47 T HA 0.328 4.678 4.350 -0.001 0.000 0.373 47 T C -2.484 172.311 174.700 0.159 0.000 1.364 47 T CA -1.213 60.963 62.100 0.127 0.000 1.110 47 T CB 0.647 69.560 68.868 0.075 0.000 1.127 47 T HN 0.525 nan 8.240 nan 0.000 0.576 48 P HA 0.268 nan 4.420 nan 0.000 0.274 48 P C -0.361 177.029 177.300 0.150 0.000 1.231 48 P CA -0.420 62.763 63.100 0.138 0.000 0.790 48 P CB 0.964 32.741 31.700 0.128 0.000 0.951 49 V N 3.703 123.686 119.914 0.115 0.000 2.470 49 V HA -0.013 4.107 4.120 -0.001 0.000 0.276 49 V C 1.131 177.277 176.094 0.087 0.000 1.040 49 V CA -0.403 61.961 62.300 0.106 0.000 1.008 49 V CB 0.039 31.915 31.823 0.089 0.000 0.990 49 V HN 0.412 nan 8.190 nan 0.000 0.477 50 L N 5.037 126.309 121.223 0.082 0.000 2.516 50 L HA 0.028 4.368 4.340 -0.001 0.000 0.288 50 L C 1.781 178.686 176.870 0.059 0.000 1.246 50 L CA 1.062 55.937 54.840 0.058 0.000 0.844 50 L CB 0.241 42.334 42.059 0.057 0.000 1.106 50 L HN 0.812 nan 8.230 nan 0.000 0.509 51 T N -0.214 114.365 114.554 0.041 0.000 2.737 51 T HA -0.159 4.191 4.350 -0.001 0.000 0.265 51 T C 1.876 176.605 174.700 0.048 0.000 1.038 51 T CA 1.601 63.724 62.100 0.039 0.000 1.144 51 T CB -0.188 68.693 68.868 0.022 0.000 0.866 51 T HN 0.843 nan 8.240 nan 0.000 0.434 52 S N 1.557 117.292 115.700 0.058 0.000 2.387 52 S HA -0.128 4.342 4.470 -0.001 0.000 0.230 52 S C 2.146 176.787 174.600 0.069 0.000 1.035 52 S CA 1.144 59.388 58.200 0.074 0.000 1.014 52 S CB -1.069 62.209 63.200 0.130 0.000 0.836 52 S HN 0.302 nan 8.310 nan 0.000 0.466 53 V N 2.096 122.060 119.914 0.083 0.000 2.307 53 V HA -0.096 4.024 4.120 -0.001 0.000 0.245 53 V C 2.823 178.959 176.094 0.069 0.000 1.045 53 V CA 1.697 64.045 62.300 0.079 0.000 1.024 53 V CB -0.582 31.302 31.823 0.103 0.000 0.651 53 V HN 0.369 nan 8.190 nan 0.000 0.449 54 K N 0.301 120.742 120.400 0.069 0.000 2.097 54 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 54 K C 2.141 178.779 176.600 0.063 0.000 1.049 54 K CA 1.321 57.648 56.287 0.066 0.000 0.933 54 K CB -0.333 32.201 32.500 0.056 0.000 0.717 54 K HN 0.423 nan 8.250 nan 0.000 0.442 55 K N 0.193 120.627 120.400 0.055 0.000 2.025 55 K HA -0.055 4.265 4.320 -0.001 0.000 0.207 55 K C 2.153 178.796 176.600 0.071 0.000 1.049 55 K CA 1.153 57.474 56.287 0.057 0.000 0.933 55 K CB -0.105 32.420 32.500 0.042 0.000 0.714 55 K HN 0.083 nan 8.250 nan 0.000 0.438 56 A N 1.707 124.553 122.820 0.044 0.000 1.933 56 A HA -0.201 4.118 4.320 -0.001 0.000 0.218 56 A C 1.851 179.480 177.584 0.075 0.000 1.175 56 A CA 1.497 53.549 52.037 0.025 0.000 0.628 56 A CB -0.370 18.605 19.000 -0.041 0.000 0.814 56 A HN 0.324 nan 8.150 nan 0.000 0.444 57 E N -0.917 119.320 120.200 0.062 0.000 2.153 57 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 57 E C 2.199 178.851 176.600 0.088 0.000 0.988 57 E CA 1.346 57.793 56.400 0.079 0.000 0.811 57 E CB -0.117 29.661 29.700 0.130 0.000 0.746 57 E HN 0.780 nan 8.360 nan 0.000 0.466 58 Q N 0.486 120.338 119.800 0.087 0.000 2.020 58 Q HA -0.235 4.105 4.340 -0.001 0.000 0.202 58 Q C 1.972 178.002 176.000 0.050 0.000 0.982 58 Q CA 1.568 57.408 55.803 0.062 0.000 0.838 58 Q CB -0.532 28.244 28.738 0.063 0.000 0.899 58 Q HN 0.364 nan 8.270 nan 0.000 0.423 59 Y N 0.417 120.708 120.300 -0.015 0.000 2.102 59 Y HA -0.292 4.258 4.550 -0.000 0.000 0.280 59 Y C 1.666 177.547 175.900 -0.033 0.000 1.178 59 Y CA 2.181 60.266 58.100 -0.025 0.000 1.146 59 Y CB -0.232 38.209 38.460 -0.033 0.000 0.968 59 Y HN 0.198 nan 8.280 nan 0.000 0.504 60 L N -0.612 120.649 121.223 0.064 0.000 2.056 60 L HA -0.231 4.108 4.340 -0.001 0.000 0.207 60 L C 2.595 179.414 176.870 -0.085 0.000 1.078 60 L CA 1.013 55.839 54.840 -0.024 0.000 0.749 60 L CB -0.650 41.403 42.059 -0.010 0.000 0.901 60 L HN 0.333 nan 8.230 nan 0.000 0.433 61 L N -0.167 121.030 121.223 -0.044 0.000 2.079 61 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 61 L C 2.409 179.226 176.870 -0.089 0.000 1.081 61 L CA 1.610 56.426 54.840 -0.039 0.000 0.752 61 L CB -0.040 42.014 42.059 -0.008 0.000 0.896 61 L HN 0.357 nan 8.230 nan 0.000 0.433 62 E N -0.367 119.744 120.200 -0.149 0.000 2.051 62 E HA -0.128 4.222 4.350 -0.001 0.000 0.189 62 E C 1.670 178.140 176.600 -0.216 0.000 0.979 62 E CA 1.035 57.331 56.400 -0.174 0.000 0.803 62 E CB 0.214 29.794 29.700 -0.200 0.000 0.761 62 E HN 0.471 nan 8.360 nan 0.000 0.451 63 N N 0.411 118.904 118.700 -0.345 0.000 2.373 63 N HA -0.018 4.722 4.740 -0.001 0.000 0.181 63 N C 0.336 175.744 175.510 -0.170 0.000 1.082 63 N CA 0.178 53.040 53.050 -0.313 0.000 0.885 63 N CB 0.413 38.555 38.487 -0.574 0.000 0.977 63 N HN 0.211 nan 8.380 nan 0.000 0.462 67 T N 0.433 114.967 114.554 -0.034 0.000 2.900 67 T HA 0.604 4.953 4.350 -0.001 0.000 0.303 67 T C -0.702 173.972 174.700 -0.044 0.000 1.142 67 T CA -0.607 61.470 62.100 -0.038 0.000 1.007 67 T CB 1.839 70.688 68.868 -0.032 0.000 1.156 67 T HN -0.066 nan 8.240 nan 0.000 0.490 68 K N 1.806 122.168 120.400 -0.063 0.000 2.355 68 K HA 0.198 4.517 4.320 -0.001 0.000 0.198 68 K C 0.661 177.193 176.600 -0.113 0.000 1.039 68 K CA -0.233 56.008 56.287 -0.078 0.000 1.075 68 K CB -0.311 32.135 32.500 -0.089 0.000 0.870 68 K HN 0.553 nan 8.250 nan 0.000 0.540 69 N N 1.524 120.159 118.700 -0.109 0.000 2.024 69 N HA -0.231 4.509 4.740 -0.001 0.000 0.282 69 N C -0.675 174.794 175.510 -0.067 0.000 1.234 69 N CA 0.603 53.584 53.050 -0.114 0.000 0.817 69 N CB 0.079 38.546 38.487 -0.034 0.000 1.051 69 N HN -0.061 nan 8.380 nan 0.000 0.478 70 Y N 1.997 122.301 120.300 0.006 0.000 2.805 70 Y HA -0.024 4.526 4.550 -0.000 0.000 0.337 70 Y C 1.212 177.118 175.900 0.010 0.000 1.252 70 Y CA 0.238 58.344 58.100 0.010 0.000 1.515 70 Y CB 0.216 38.684 38.460 0.014 0.000 1.305 70 Y HN 0.308 nan 8.280 nan 0.000 0.600 71 L N 1.834 123.186 121.223 0.214 0.000 2.543 71 L HA 0.426 4.766 4.340 -0.001 0.000 0.231 71 L C 1.136 178.078 176.870 0.120 0.000 1.194 71 L CA -0.421 54.492 54.840 0.121 0.000 0.823 71 L CB 0.161 42.267 42.059 0.080 0.000 1.374 71 L HN 0.778 nan 8.230 nan 0.000 0.507 72 G N -0.701 108.150 108.800 0.085 0.000 2.477 72 G HA2 0.314 4.274 3.960 -0.001 0.000 0.304 72 G HA3 0.314 4.274 3.960 -0.001 0.000 0.304 72 G C 0.969 175.907 174.900 0.063 0.000 1.175 72 G CA -0.632 44.507 45.100 0.065 0.000 0.907 72 G HN 0.441 nan 8.290 nan 0.000 0.509 73 I N 0.960 121.546 120.570 0.027 0.000 2.229 73 I HA -0.197 3.973 4.170 -0.001 0.000 0.250 73 I C 2.167 178.324 176.117 0.067 0.000 1.096 73 I CA 1.739 63.042 61.300 0.004 0.000 1.358 73 I CB -0.721 37.243 38.000 -0.061 0.000 1.047 73 I HN 0.652 nan 8.210 nan 0.000 0.422 74 D N -0.345 120.127 120.400 0.121 0.000 2.339 74 D HA 0.209 4.848 4.640 -0.001 0.000 0.217 74 D C 1.284 177.698 176.300 0.189 0.000 1.050 74 D CA 0.873 55.001 54.000 0.214 0.000 0.856 74 D CB 0.259 41.285 40.800 0.377 0.000 0.922 74 D HN 0.394 nan 8.370 nan 0.000 0.518 75 G N 1.046 109.923 108.800 0.128 0.000 2.484 75 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.225 75 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.225 75 G C -0.603 174.343 174.900 0.076 0.000 1.250 75 G CA -0.303 44.845 45.100 0.081 0.000 0.926 75 G HN 0.270 nan 8.290 nan 0.000 0.581 76 I N 2.769 123.372 120.570 0.054 0.000 2.352 76 I HA 0.244 4.414 4.170 -0.001 0.000 0.290 76 I C -1.149 175.043 176.117 0.124 0.000 1.036 76 I CA -1.757 59.581 61.300 0.063 0.000 1.336 76 I CB 1.885 39.895 38.000 0.016 0.000 1.407 76 I HN 0.278 nan 8.210 nan 0.000 0.497 77 P HA -0.176 nan 4.420 nan 0.000 0.215 77 P C 1.087 178.410 177.300 0.038 0.000 1.153 77 P CA 1.272 64.405 63.100 0.054 0.000 0.853 77 P CB 0.177 31.896 31.700 0.032 0.000 0.788 78 E N -1.643 118.576 120.200 0.031 0.000 2.150 78 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 78 E C 1.855 178.447 176.600 -0.013 0.000 0.985 78 E CA 0.752 57.149 56.400 -0.005 0.000 0.814 78 E CB -0.660 29.027 29.700 -0.022 0.000 0.752 78 E HN 0.276 nan 8.360 nan 0.000 0.466 79 F N 1.822 121.706 119.950 -0.109 0.000 2.051 79 F HA -0.124 4.403 4.527 -0.000 0.000 0.296 79 F C 2.339 178.084 175.800 -0.092 0.000 1.122 79 F CA 2.040 59.955 58.000 -0.141 0.000 1.201 79 F CB -0.842 38.082 39.000 -0.127 0.000 0.978 79 F HN -0.038 nan 8.300 nan 0.000 0.472 80 G N 0.248 109.023 108.800 -0.040 0.000 2.476 80 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.218 80 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.218 80 G C 1.927 176.724 174.900 -0.172 0.000 1.164 80 G CA 0.941 45.961 45.100 -0.133 0.000 0.768 80 G HN 0.358 nan 8.290 nan 0.000 0.560 81 R N -0.615 119.819 120.500 -0.111 0.000 2.080 81 R HA -0.104 4.236 4.340 -0.001 0.000 0.236 81 R C 2.710 178.935 176.300 -0.125 0.000 1.137 81 R CA 1.721 57.766 56.100 -0.092 0.000 0.943 81 R CB -0.720 29.543 30.300 -0.061 0.000 0.846 81 R HN 0.410 nan 8.270 nan 0.000 0.431 82 C N -0.360 118.839 119.300 -0.170 0.000 2.425 82 C HA -0.090 4.369 4.460 -0.001 0.000 0.277 82 C C 3.028 177.876 174.990 -0.236 0.000 1.280 82 C CA 1.542 60.445 59.018 -0.192 0.000 1.744 82 C CB -0.869 26.741 27.740 -0.216 0.000 1.989 82 C HN 0.719 nan 8.230 nan 0.000 0.491 83 T N -0.623 113.722 114.554 -0.349 0.000 2.867 83 T HA -0.195 4.154 4.350 -0.001 0.000 0.268 83 T C 1.617 176.152 174.700 -0.274 0.000 1.057 83 T CA 1.590 63.504 62.100 -0.310 0.000 1.136 83 T CB -0.378 68.243 68.868 -0.413 0.000 0.874 83 T HN 0.708 nan 8.240 nan 0.000 0.466 84 Q N 0.333 119.996 119.800 -0.227 0.000 2.224 84 Q HA -0.025 4.315 4.340 -0.001 0.000 0.203 84 Q C 2.372 178.301 176.000 -0.117 0.000 0.970 84 Q CA 1.304 56.987 55.803 -0.201 0.000 0.865 84 Q CB -0.053 28.707 28.738 0.036 0.000 0.922 84 Q HN 0.716 nan 8.270 nan 0.000 0.445 85 E N 0.374 120.526 120.200 -0.079 0.000 2.158 85 E HA -0.128 4.221 4.350 -0.001 0.000 0.191 85 E C 1.825 178.392 176.600 -0.056 0.000 0.982 85 E CA 0.388 56.769 56.400 -0.030 0.000 0.823 85 E CB 0.097 29.779 29.700 -0.030 0.000 0.766 85 E HN 0.152 nan 8.360 nan 0.000 0.468 86 L N 0.789 121.950 121.223 -0.103 0.000 2.056 86 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 86 L C 2.009 178.796 176.870 -0.138 0.000 1.078 86 L CA 1.282 56.070 54.840 -0.086 0.000 0.749 86 L CB -0.366 41.649 42.059 -0.073 0.000 0.901 86 L HN 0.091 nan 8.230 nan 0.000 0.433 87 L N -1.659 119.397 121.223 -0.278 0.000 2.007 87 L HA -0.114 4.226 4.340 -0.001 0.000 0.205 87 L C 2.219 178.901 176.870 -0.313 0.000 1.073 87 L CA 1.907 56.495 54.840 -0.420 0.000 0.744 87 L CB -1.137 40.352 42.059 -0.949 0.000 0.898 87 L HN 0.161 nan 8.230 nan 0.000 0.435 88 F N -0.955 118.972 119.950 -0.038 0.000 2.582 88 F HA 0.514 5.041 4.527 -0.001 0.000 0.290 88 F C 1.330 177.110 175.800 -0.032 0.000 1.115 88 F CA 0.160 58.133 58.000 -0.045 0.000 1.445 88 F CB -0.749 38.221 39.000 -0.049 0.000 1.126 88 F HN 0.116 nan 8.300 nan 0.000 0.574 89 G N 0.672 109.543 108.800 0.119 0.000 2.539 89 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.686 89 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.686 89 G C -0.986 173.947 174.900 0.056 0.000 1.258 89 G CA -1.295 43.846 45.100 0.068 0.000 0.846 89 G HN 0.055 nan 8.290 nan 0.000 0.647 90 K N 0.296 120.714 120.400 0.031 0.000 2.276 90 K HA 0.506 4.826 4.320 -0.001 0.000 0.283 90 K C 1.088 177.698 176.600 0.018 0.000 1.044 90 K CA 0.604 56.903 56.287 0.020 0.000 0.944 90 K CB 1.255 33.760 32.500 0.009 0.000 1.012 90 K HN 2.212 nan 8.250 nan 0.000 0.472 91 G N 1.834 110.643 108.800 0.014 0.000 2.298 91 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.287 91 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.287 91 G C -0.086 174.818 174.900 0.008 0.000 1.075 91 G CA 0.484 45.588 45.100 0.007 0.000 0.960 91 G HN 0.531 nan 8.290 nan 0.000 0.502 92 S N -0.591 115.118 115.700 0.015 0.000 2.578 92 S HA 0.778 5.248 4.470 -0.001 0.000 0.283 92 S C 1.793 176.377 174.600 -0.027 0.000 1.195 92 S CA 0.451 58.656 58.200 0.007 0.000 1.050 92 S CB 1.490 64.719 63.200 0.048 0.000 1.012 92 S HN 1.729 nan 8.310 nan 0.000 0.511 93 A N 3.965 126.756 122.820 -0.048 0.000 1.917 93 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 93 A C 1.886 179.410 177.584 -0.101 0.000 1.182 93 A CA 1.803 53.800 52.037 -0.066 0.000 0.633 93 A CB -0.996 17.964 19.000 -0.067 0.000 0.819 93 A HN 0.818 nan 8.150 nan 0.000 0.448 94 L N -0.532 120.586 121.223 -0.175 0.000 2.201 94 L HA -0.096 4.244 4.340 -0.001 0.000 0.212 94 L C 2.236 179.018 176.870 -0.146 0.000 1.105 94 L CA 1.235 55.927 54.840 -0.247 0.000 0.775 94 L CB -0.414 41.292 42.059 -0.588 0.000 0.913 94 L HN 0.418 nan 8.230 nan 0.000 0.440 95 I N -1.062 119.463 120.570 -0.076 0.000 2.400 95 I HA -0.121 4.048 4.170 -0.001 0.000 0.248 95 I C 1.896 177.998 176.117 -0.025 0.000 1.109 95 I CA 0.542 61.832 61.300 -0.017 0.000 1.425 95 I CB -0.370 37.649 38.000 0.031 0.000 1.094 95 I HN 0.245 nan 8.210 nan 0.000 0.425 96 N N 1.082 119.765 118.700 -0.029 0.000 2.142 96 N HA -0.157 4.583 4.740 -0.001 0.000 0.186 96 N C 1.296 176.788 175.510 -0.029 0.000 1.023 96 N CA 1.323 54.358 53.050 -0.024 0.000 0.852 96 N CB -0.429 38.045 38.487 -0.022 0.000 0.998 96 N HN 0.263 nan 8.380 nan 0.000 0.424 97 D N 0.670 121.046 120.400 -0.039 0.000 2.348 97 D HA -0.022 4.617 4.640 -0.001 0.000 0.216 97 D C 0.321 176.598 176.300 -0.038 0.000 0.970 97 D CA 0.414 54.391 54.000 -0.038 0.000 0.889 97 D CB 0.040 40.811 40.800 -0.049 0.000 0.912 97 D HN -0.087 nan 8.370 nan 0.000 0.524 98 K N 0.062 120.437 120.400 -0.042 0.000 3.071 98 K HA -0.229 4.091 4.320 -0.001 0.000 0.265 98 K C 0.849 177.420 176.600 -0.048 0.000 1.060 98 K CA 0.162 56.424 56.287 -0.042 0.000 0.767 98 K CB -1.130 31.351 32.500 -0.032 0.000 1.241 98 K HN 0.328 nan 8.250 nan 0.000 0.486 99 R N -0.802 119.660 120.500 -0.063 0.000 2.115 99 R HA 0.029 4.368 4.340 -0.001 0.000 0.226 99 R C 1.066 177.329 176.300 -0.061 0.000 1.100 99 R CA 1.249 57.311 56.100 -0.063 0.000 0.980 99 R CB 0.180 30.423 30.300 -0.094 0.000 0.875 99 R HN 0.301 nan 8.270 nan 0.000 0.445 100 A N 1.492 124.270 122.820 -0.071 0.000 2.306 100 A HA 0.609 4.928 4.320 -0.001 0.000 0.330 100 A C -0.393 177.128 177.584 -0.105 0.000 1.146 100 A CA -0.555 51.459 52.037 -0.039 0.000 0.827 100 A CB 0.956 19.999 19.000 0.071 0.000 1.178 100 A HN 0.019 nan 8.150 nan 0.000 0.490 101 R N 0.606 120.997 120.500 -0.182 0.000 2.564 101 R HA 0.570 4.909 4.340 -0.001 0.000 0.284 101 R C -1.499 174.573 176.300 -0.380 0.000 1.031 101 R CA -0.387 55.424 56.100 -0.481 0.000 0.904 101 R CB 1.665 31.369 30.300 -0.994 0.000 1.199 101 R HN 0.709 nan 8.270 nan 0.000 0.443 102 T N 1.166 115.542 114.554 -0.296 0.000 2.807 102 T HA 0.683 5.033 4.350 -0.001 0.000 0.279 102 T C -0.597 174.166 174.700 0.104 0.000 0.993 102 T CA -0.545 61.526 62.100 -0.049 0.000 0.970 102 T CB 1.875 70.717 68.868 -0.042 0.000 0.950 102 T HN 0.622 nan 8.240 nan 0.000 0.441 103 A N 2.814 125.813 122.820 0.299 0.000 2.337 103 A HA 0.676 4.996 4.320 -0.001 0.000 0.329 103 A C -0.172 177.601 177.584 0.314 0.000 1.146 103 A CA -0.751 51.514 52.037 0.379 0.000 0.800 103 A CB 1.099 20.327 19.000 0.381 0.000 1.220 103 A HN 0.735 nan 8.150 nan 0.000 0.472 104 Q N 1.194 121.179 119.800 0.308 0.000 2.261 104 Q HA 0.530 4.870 4.340 -0.001 0.000 0.252 104 Q C -0.413 175.680 176.000 0.155 0.000 0.915 104 Q CA -0.058 55.911 55.803 0.277 0.000 0.915 104 Q CB 0.834 29.585 28.738 0.023 0.000 1.204 104 Q HN 0.861 nan 8.270 nan 0.000 0.421 105 T N 0.609 115.226 114.554 0.105 0.000 2.887 105 T HA 0.579 4.929 4.350 -0.001 0.000 0.292 105 T C -2.768 171.854 174.700 -0.130 0.000 1.087 105 T CA -2.226 59.889 62.100 0.026 0.000 1.009 105 T CB 1.631 70.566 68.868 0.111 0.000 1.203 105 T HN 0.410 nan 8.240 nan 0.000 0.518 106 P HA 0.442 nan 4.420 nan 0.000 0.268 106 P C 0.656 177.895 177.300 -0.102 0.000 1.541 106 P CA 0.937 63.896 63.100 -0.236 0.000 1.093 106 P CB -0.101 31.387 31.700 -0.353 0.000 1.551 107 G N 2.907 111.676 108.800 -0.051 0.000 2.846 107 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.660 107 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.660 107 G C 1.098 175.994 174.900 -0.006 0.000 1.464 107 G CA -0.484 44.606 45.100 -0.017 0.000 0.891 107 G HN 0.496 nan 8.290 nan 0.000 0.552 108 G N -1.220 107.561 108.800 -0.032 0.000 2.448 108 G HA2 0.058 4.018 3.960 -0.001 0.000 0.219 108 G HA3 0.058 4.018 3.960 -0.001 0.000 0.219 108 G C 1.796 176.711 174.900 0.027 0.000 1.127 108 G CA 2.303 47.385 45.100 -0.030 0.000 0.766 108 G HN 1.166 nan 8.290 nan 0.000 0.552 109 T N 0.874 115.462 114.554 0.056 0.000 2.737 109 T HA -0.031 4.319 4.350 -0.001 0.000 0.265 109 T C 2.536 177.293 174.700 0.095 0.000 1.038 109 T CA 1.364 63.550 62.100 0.143 0.000 1.144 109 T CB -0.510 68.469 68.868 0.185 0.000 0.866 109 T HN 0.338 nan 8.240 nan 0.000 0.434 110 G N 1.051 109.888 108.800 0.062 0.000 2.422 110 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.218 110 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.218 110 G C 1.795 176.763 174.900 0.114 0.000 1.146 110 G CA 0.951 46.092 45.100 0.068 0.000 0.769 110 G HN 0.576 nan 8.290 nan 0.000 0.547 111 A N 0.516 123.396 122.820 0.099 0.000 1.858 111 A HA 0.078 4.397 4.320 -0.001 0.000 0.216 111 A C 2.353 180.021 177.584 0.140 0.000 1.190 111 A CA 1.441 53.552 52.037 0.124 0.000 0.617 111 A CB -0.542 18.519 19.000 0.101 0.000 0.827 111 A HN 0.280 nan 8.150 nan 0.000 0.443 112 L N -0.214 121.087 121.223 0.130 0.000 1.978 112 L HA -0.214 4.126 4.340 -0.001 0.000 0.218 112 L C 2.565 179.487 176.870 0.086 0.000 1.075 112 L CA 2.494 57.412 54.840 0.130 0.000 0.767 112 L CB -1.145 40.975 42.059 0.101 0.000 0.890 112 L HN 0.517 nan 8.230 nan 0.000 0.434 113 R N -0.772 119.757 120.500 0.050 0.000 2.083 113 R HA -0.132 4.208 4.340 -0.001 0.000 0.237 113 R C 2.135 178.509 176.300 0.124 0.000 1.137 113 R CA 1.836 57.967 56.100 0.052 0.000 0.951 113 R CB -0.909 29.424 30.300 0.055 0.000 0.851 113 R HN 0.243 nan 8.270 nan 0.000 0.434 114 V N 0.706 120.712 119.914 0.152 0.000 2.490 114 V HA -0.163 3.956 4.120 -0.001 0.000 0.250 114 V C 2.285 178.503 176.094 0.206 0.000 1.061 114 V CA 1.772 64.168 62.300 0.159 0.000 1.064 114 V CB -0.766 31.148 31.823 0.152 0.000 0.670 114 V HN 0.552 nan 8.190 nan 0.000 0.461 115 A N -0.154 122.801 122.820 0.225 0.000 1.930 115 A HA -0.019 4.301 4.320 -0.001 0.000 0.217 115 A C 2.404 180.214 177.584 0.377 0.000 1.175 115 A CA 1.792 54.012 52.037 0.305 0.000 0.627 115 A CB -0.565 18.610 19.000 0.292 0.000 0.815 115 A HN 0.535 nan 8.150 nan 0.000 0.443 116 A N 0.124 123.138 122.820 0.324 0.000 1.855 116 A HA -0.152 4.168 4.320 -0.001 0.000 0.215 116 A C 1.786 179.508 177.584 0.230 0.000 1.191 116 A CA 1.782 54.016 52.037 0.329 0.000 0.613 116 A CB -0.596 18.565 19.000 0.269 0.000 0.829 116 A HN 0.402 nan 8.150 nan 0.000 0.442 117 D N -1.188 119.324 120.400 0.187 0.000 2.178 117 D HA -0.105 4.535 4.640 -0.001 0.000 0.201 117 D C 1.538 177.928 176.300 0.151 0.000 0.980 117 D CA 1.068 55.150 54.000 0.137 0.000 0.842 117 D CB -0.330 40.536 40.800 0.110 0.000 0.948 117 D HN 0.468 nan 8.370 nan 0.000 0.472 118 F N 1.284 121.277 119.950 0.072 0.000 2.022 118 F HA -0.184 4.343 4.527 -0.001 0.000 0.293 118 F C 1.967 177.811 175.800 0.073 0.000 1.142 118 F CA 0.948 58.985 58.000 0.061 0.000 1.177 118 F CB -0.570 38.474 39.000 0.073 0.000 0.982 118 F HN -0.174 nan 8.300 nan 0.000 0.473 119 L N 1.275 122.410 121.223 -0.146 0.000 1.997 119 L HA -0.235 4.105 4.340 -0.001 0.000 0.216 119 L C 2.833 179.622 176.870 -0.135 0.000 1.074 119 L CA 2.176 56.899 54.840 -0.195 0.000 0.763 119 L CB -2.097 40.011 42.059 0.081 0.000 0.890 119 L HN 0.377 nan 8.230 nan 0.000 0.434 120 A N -1.474 121.332 122.820 -0.023 0.000 1.948 120 A HA -0.236 4.083 4.320 -0.001 0.000 0.220 120 A C 2.330 179.885 177.584 -0.048 0.000 1.177 120 A CA 1.850 53.883 52.037 -0.007 0.000 0.636 120 A CB -0.368 18.656 19.000 0.039 0.000 0.815 120 A HN 0.332 nan 8.150 nan 0.000 0.449 121 K N -1.097 119.252 120.400 -0.084 0.000 2.356 121 K HA 0.092 4.412 4.320 -0.001 0.000 0.195 121 K C 0.344 176.859 176.600 -0.142 0.000 1.037 121 K CA 0.427 56.661 56.287 -0.089 0.000 1.014 121 K CB 0.124 32.595 32.500 -0.049 0.000 0.815 121 K HN 0.544 nan 8.250 nan 0.000 0.507 122 N N 0.469 119.005 118.700 -0.274 0.000 2.143 122 N HA -0.001 4.738 4.740 -0.001 0.000 0.222 122 N C 0.160 175.535 175.510 -0.225 0.000 1.264 122 N CA 0.157 53.047 53.050 -0.267 0.000 0.897 122 N CB 1.548 39.808 38.487 -0.379 0.000 1.092 122 N HN 0.140 nan 8.380 nan 0.000 0.516 123 T N -2.053 112.380 114.554 -0.202 0.000 2.888 123 T HA 0.313 4.663 4.350 -0.001 0.000 0.288 123 T C 0.808 175.477 174.700 -0.052 0.000 1.063 123 T CA -0.581 61.454 62.100 -0.108 0.000 1.010 123 T CB 1.703 70.511 68.868 -0.100 0.000 1.214 123 T HN -0.066 nan 8.240 nan 0.000 0.533 124 S N -0.325 115.366 115.700 -0.015 0.000 2.660 124 S HA 0.269 4.739 4.470 -0.001 0.000 0.227 124 S C 0.452 175.063 174.600 0.018 0.000 0.948 124 S CA -0.599 57.604 58.200 0.004 0.000 0.948 124 S CB -0.728 62.483 63.200 0.017 0.000 0.779 124 S HN 0.625 nan 8.310 nan 0.000 0.487 125 V N 2.529 122.451 119.914 0.014 0.000 2.585 125 V HA 0.235 4.355 4.120 -0.001 0.000 0.296 125 V C 0.456 176.565 176.094 0.025 0.000 1.035 125 V CA 0.260 62.578 62.300 0.030 0.000 1.084 125 V CB 0.912 32.753 31.823 0.030 0.000 0.953 125 V HN 0.507 nan 8.190 nan 0.000 0.483 134 W N 5.348 126.499 121.300 -0.249 0.000 2.335 134 W HA 0.725 5.385 4.660 -0.001 0.000 0.307 134 W C 0.119 176.596 176.519 -0.070 0.000 1.117 134 W CA -0.312 56.959 57.345 -0.122 0.000 1.228 134 W CB 1.779 31.145 29.460 -0.156 0.000 1.240 134 W HN 0.803 nan 8.180 nan 0.000 0.468 135 V N 1.524 121.409 119.914 -0.048 0.000 2.555 135 V HA 0.698 4.818 4.120 -0.001 0.000 0.302 135 V C 0.407 176.219 176.094 -0.469 0.000 1.038 135 V CA -1.240 60.969 62.300 -0.152 0.000 0.887 135 V CB 0.853 32.633 31.823 -0.072 0.000 0.991 135 V HN 0.542 nan 8.190 nan 0.000 0.434 136 S N 2.925 118.151 115.700 -0.790 0.000 2.587 136 S HA 0.143 4.613 4.470 -0.001 0.000 0.260 136 S C 0.074 174.399 174.600 -0.459 0.000 1.353 136 S CA -0.232 57.312 58.200 -1.094 0.000 0.995 136 S CB 0.274 62.942 63.200 -0.886 0.000 0.912 136 S HN 1.076 nan 8.310 nan 0.000 0.568 137 N N 1.836 120.357 118.700 -0.299 0.000 2.483 137 N HA 0.389 5.129 4.740 -0.001 0.000 0.267 137 N C -2.914 172.625 175.510 0.049 0.000 0.998 137 N CA -1.786 51.219 53.050 -0.076 0.000 0.918 137 N CB 1.739 40.213 38.487 -0.023 0.000 1.215 137 N HN 0.461 nan 8.380 nan 0.000 0.500 138 P HA 0.326 nan 4.420 nan 0.000 0.284 138 P C -0.861 176.406 177.300 -0.055 0.000 1.292 138 P CA -0.360 62.739 63.100 -0.002 0.000 0.800 138 P CB 1.640 33.360 31.700 0.034 0.000 1.188 139 S N -1.926 113.754 115.700 -0.033 0.000 2.625 139 S HA 0.396 4.865 4.470 -0.001 0.000 0.271 139 S C -1.849 172.807 174.600 0.093 0.000 1.161 139 S CA -0.657 57.552 58.200 0.015 0.000 0.820 139 S CB 0.120 63.401 63.200 0.135 0.000 1.137 139 S HN 0.421 nan 8.310 nan 0.000 0.470 140 W N 4.049 125.307 121.300 -0.070 0.000 2.534 140 W HA 0.246 4.905 4.660 -0.001 0.000 0.340 140 W C -2.214 174.195 176.519 -0.184 0.000 1.352 140 W CA -1.090 56.125 57.345 -0.217 0.000 1.305 140 W CB -0.064 29.128 29.460 -0.446 0.000 1.299 140 W HN 0.575 nan 8.180 nan 0.000 0.572 141 P HA -0.301 nan 4.420 nan 0.000 0.218 141 P C 1.267 178.235 177.300 -0.552 0.000 1.150 141 P CA 2.146 65.013 63.100 -0.388 0.000 0.841 141 P CB 0.206 31.709 31.700 -0.328 0.000 0.784 142 N N -2.165 115.854 118.700 -1.136 0.000 2.515 142 N HA -0.091 4.648 4.740 -0.001 0.000 0.185 142 N C 1.420 176.562 175.510 -0.614 0.000 1.109 142 N CA 0.576 52.995 53.050 -1.051 0.000 0.903 142 N CB -0.482 37.005 38.487 -1.668 0.000 0.969 142 N HN 0.313 nan 8.380 nan 0.000 0.450 143 H N -0.480 118.391 119.070 -0.332 0.000 2.293 143 H HA -0.072 4.484 4.556 -0.001 0.000 0.300 143 H C 1.878 177.196 175.328 -0.017 0.000 1.082 143 H CA 1.034 57.072 56.048 -0.016 0.000 1.308 143 H CB 0.234 30.149 29.762 0.255 0.000 1.375 143 H HN 0.019 nan 8.280 nan 0.000 0.495 144 K N 0.753 121.231 120.400 0.131 0.000 2.020 144 K HA -0.155 4.164 4.320 -0.001 0.000 0.212 144 K C 2.325 178.924 176.600 -0.002 0.000 1.050 144 K CA 1.757 58.088 56.287 0.074 0.000 0.929 144 K CB -0.333 32.163 32.500 -0.008 0.000 0.714 144 K HN 0.180 nan 8.250 nan 0.000 0.443 145 S N 0.654 116.291 115.700 -0.105 0.000 2.399 145 S HA -0.128 4.342 4.470 -0.001 0.000 0.231 145 S C 1.977 176.500 174.600 -0.129 0.000 1.022 145 S CA 1.349 59.479 58.200 -0.117 0.000 0.983 145 S CB -0.321 62.786 63.200 -0.156 0.000 0.803 145 S HN 0.398 nan 8.310 nan 0.000 0.480 146 V N -0.625 119.155 119.914 -0.223 0.000 2.407 146 V HA -0.031 4.089 4.120 -0.001 0.000 0.245 146 V C 1.847 177.788 176.094 -0.254 0.000 1.041 146 V CA 1.344 63.484 62.300 -0.267 0.000 1.040 146 V CB -1.079 30.540 31.823 -0.339 0.000 0.671 146 V HN 0.301 nan 8.190 nan 0.000 0.455 147 F N 2.132 122.107 119.950 0.043 0.000 2.075 147 F HA -0.023 4.504 4.527 -0.000 0.000 0.297 147 F C 2.465 178.270 175.800 0.008 0.000 1.113 147 F CA 1.911 59.929 58.000 0.030 0.000 1.218 147 F CB -1.399 37.611 39.000 0.017 0.000 0.984 147 F HN 0.220 nan 8.300 nan 0.000 0.472 148 N N -0.033 118.749 118.700 0.137 0.000 2.205 148 N HA -0.153 4.587 4.740 -0.001 0.000 0.186 148 N C 1.886 177.422 175.510 0.042 0.000 1.015 148 N CA 1.471 54.562 53.050 0.068 0.000 0.862 148 N CB -0.744 37.758 38.487 0.025 0.000 0.986 148 N HN 0.143 nan 8.380 nan 0.000 0.429 149 S N 0.157 115.869 115.700 0.020 0.000 2.423 149 S HA 0.030 4.500 4.470 -0.001 0.000 0.231 149 S C 1.868 176.486 174.600 0.031 0.000 1.014 149 S CA 0.862 59.069 58.200 0.011 0.000 0.965 149 S CB -0.059 63.134 63.200 -0.011 0.000 0.785 149 S HN 0.516 nan 8.310 nan 0.000 0.495 150 A N 0.244 123.099 122.820 0.058 0.000 2.132 150 A HA 0.509 4.829 4.320 -0.001 0.000 0.213 150 A C 1.668 179.293 177.584 0.068 0.000 1.154 150 A CA 0.909 52.991 52.037 0.075 0.000 0.753 150 A CB -0.390 18.686 19.000 0.126 0.000 0.826 150 A HN 0.831 nan 8.150 nan 0.000 0.469 151 G N -2.058 106.782 108.800 0.067 0.000 2.168 151 G HA2 -0.105 3.855 3.960 -0.001 0.000 0.197 151 G HA3 -0.105 3.855 3.960 -0.001 0.000 0.197 151 G C -0.104 174.828 174.900 0.053 0.000 0.997 151 G CA 0.068 45.197 45.100 0.049 0.000 0.658 151 G HN 0.227 nan 8.290 nan 0.000 0.513 155 V N 3.292 123.114 119.914 -0.154 0.000 2.376 155 V HA 0.756 4.875 4.120 -0.001 0.000 0.287 155 V C -0.950 174.919 176.094 -0.376 0.000 1.015 155 V CA -0.527 61.624 62.300 -0.249 0.000 0.834 155 V CB 1.228 32.989 31.823 -0.102 0.000 1.001 155 V HN 0.619 nan 8.190 nan 0.000 0.428 156 R N 3.785 123.864 120.500 -0.701 0.000 2.606 156 R HA 0.701 5.041 4.340 -0.001 0.000 0.249 156 R C -0.304 175.540 176.300 -0.760 0.000 1.127 156 R CA -0.691 54.896 56.100 -0.854 0.000 1.133 156 R CB 0.614 30.090 30.300 -1.372 0.000 1.243 156 R HN 0.897 nan 8.270 nan 0.000 0.558 157 E N 0.323 120.198 120.200 -0.541 0.000 2.266 157 E HA 0.308 4.658 4.350 -0.001 0.000 0.268 157 E C -1.190 175.502 176.600 0.153 0.000 0.879 157 E CA -0.763 55.520 56.400 -0.194 0.000 0.762 157 E CB 2.156 31.775 29.700 -0.135 0.000 1.199 157 E HN 0.464 nan 8.360 nan 0.000 0.422 158 Y N -0.432 119.994 120.300 0.211 0.000 2.409 158 Y HA 0.746 5.296 4.550 -0.001 0.000 0.339 158 Y C -0.094 175.901 175.900 0.159 0.000 1.033 158 Y CA -1.453 56.801 58.100 0.257 0.000 1.094 158 Y CB 0.826 39.422 38.460 0.227 0.000 1.210 158 Y HN 0.536 nan 8.280 nan 0.000 0.456 159 A N 2.834 125.822 122.820 0.281 0.000 2.520 159 A HA 0.249 4.568 4.320 -0.001 0.000 0.235 159 A C -0.682 177.058 177.584 0.261 0.000 1.065 159 A CA 0.568 52.718 52.037 0.188 0.000 0.764 159 A CB -0.155 18.918 19.000 0.121 0.000 1.002 159 A HN 1.057 nan 8.150 nan 0.000 0.502 160 Y N 0.450 120.782 120.300 0.053 0.000 3.309 160 Y HA 0.226 4.776 4.550 -0.000 0.000 0.164 160 Y C -0.177 175.772 175.900 0.082 0.000 0.908 160 Y CA 0.081 58.204 58.100 0.039 0.000 1.843 160 Y CB 0.074 38.461 38.460 -0.122 0.000 1.407 160 Y HN 0.647 nan 8.280 nan 0.000 0.308 161 Y N 3.247 123.598 120.300 0.087 0.000 2.319 161 Y HA 0.319 4.869 4.550 -0.000 0.000 0.328 161 Y C -0.520 175.382 175.900 0.003 0.000 1.133 161 Y CA -1.042 57.084 58.100 0.044 0.000 1.265 161 Y CB 0.481 39.037 38.460 0.160 0.000 1.218 161 Y HN 0.182 nan 8.280 nan 0.000 0.508 162 D N 4.696 124.845 120.400 -0.419 0.000 2.443 162 D HA 0.311 4.950 4.640 -0.001 0.000 0.221 162 D C 0.418 176.161 176.300 -0.928 0.000 1.097 162 D CA 0.026 53.748 54.000 -0.464 0.000 0.865 162 D CB 1.124 41.740 40.800 -0.306 0.000 1.034 162 D HN 0.716 nan 8.370 nan 0.000 0.511 163 A N 3.908 126.267 122.820 -0.768 0.000 2.172 163 A HA -0.085 4.235 4.320 -0.001 0.000 0.216 163 A C 1.794 178.885 177.584 -0.822 0.000 1.154 163 A CA 0.874 52.441 52.037 -0.784 0.000 0.701 163 A CB -0.145 18.684 19.000 -0.286 0.000 0.789 163 A HN 0.655 nan 8.150 nan 0.000 0.465 164 E N -0.245 119.575 120.200 -0.634 0.000 2.122 164 E HA -0.042 4.308 4.350 -0.001 0.000 0.190 164 E C 0.842 177.060 176.600 -0.638 0.000 0.977 164 E CA 0.724 56.799 56.400 -0.541 0.000 0.820 164 E CB -0.012 29.508 29.700 -0.300 0.000 0.770 164 E HN 0.636 nan 8.360 nan 0.000 0.462 165 N N 0.126 118.493 118.700 -0.555 0.000 2.205 165 N HA 0.010 4.750 4.740 -0.001 0.000 0.201 165 N C -0.778 174.563 175.510 -0.282 0.000 1.128 165 N CA 0.134 52.983 53.050 -0.336 0.000 0.867 165 N CB 0.544 38.927 38.487 -0.174 0.000 0.996 165 N HN 0.175 nan 8.380 nan 0.000 0.503 166 H N -0.030 118.806 119.070 -0.389 0.000 2.677 166 H HA -0.147 4.409 4.556 -0.001 0.000 0.321 166 H C -0.024 175.320 175.328 0.027 0.000 1.171 166 H CA 1.065 56.943 56.048 -0.284 0.000 1.139 166 H CB -1.669 27.824 29.762 -0.447 0.000 1.515 166 H HN 0.079 nan 8.280 nan 0.000 0.423 167 T N -0.869 113.669 114.554 -0.027 0.000 2.804 167 T HA 0.517 4.866 4.350 -0.001 0.000 0.290 167 T C -0.621 174.083 174.700 0.007 0.000 1.099 167 T CA -0.978 61.153 62.100 0.051 0.000 1.011 167 T CB 1.432 70.296 68.868 -0.007 0.000 1.291 167 T HN 0.270 nan 8.240 nan 0.000 0.523 168 L N 2.606 123.808 121.223 -0.036 0.000 2.313 168 L HA 0.347 4.687 4.340 -0.001 0.000 0.282 168 L C -0.471 176.343 176.870 -0.093 0.000 1.092 168 L CA -0.233 54.515 54.840 -0.154 0.000 0.831 168 L CB 0.704 42.646 42.059 -0.194 0.000 1.159 168 L HN 0.666 nan 8.230 nan 0.000 0.442 169 D N 4.243 124.578 120.400 -0.108 0.000 2.483 169 D HA -0.015 4.624 4.640 -0.001 0.000 0.220 169 D C 0.809 177.127 176.300 0.030 0.000 1.173 169 D CA -0.093 53.883 54.000 -0.040 0.000 0.964 169 D CB 0.394 41.159 40.800 -0.058 0.000 1.046 169 D HN 0.403 nan 8.370 nan 0.000 0.517 170 F N 2.376 122.262 119.950 -0.107 0.000 2.126 170 F HA -0.194 4.333 4.527 -0.001 0.000 0.299 170 F C 1.651 177.432 175.800 -0.031 0.000 1.096 170 F CA 1.287 59.240 58.000 -0.078 0.000 1.255 170 F CB 0.220 39.181 39.000 -0.064 0.000 0.997 170 F HN 0.310 nan 8.300 nan 0.000 0.479 171 D N 0.340 120.731 120.400 -0.014 0.000 2.081 171 D HA -0.205 4.434 4.640 -0.001 0.000 0.194 171 D C 2.410 178.655 176.300 -0.091 0.000 0.986 171 D CA 1.625 55.575 54.000 -0.083 0.000 0.837 171 D CB -1.115 39.673 40.800 -0.019 0.000 0.985 171 D HN 0.293 nan 8.370 nan 0.000 0.448 172 A N 1.856 124.653 122.820 -0.038 0.000 1.971 172 A HA -0.205 4.114 4.320 -0.001 0.000 0.222 172 A C 2.172 179.757 177.584 0.003 0.000 1.182 172 A CA 1.475 53.505 52.037 -0.012 0.000 0.649 172 A CB -0.845 18.157 19.000 0.002 0.000 0.818 172 A HN 0.330 nan 8.150 nan 0.000 0.458 173 L N -0.367 120.841 121.223 -0.024 0.000 2.027 173 L HA -0.102 4.238 4.340 -0.001 0.000 0.206 173 L C 2.270 179.086 176.870 -0.090 0.000 1.074 173 L CA 2.133 56.989 54.840 0.027 0.000 0.745 173 L CB -0.929 41.141 42.059 0.019 0.000 0.898 173 L HN 0.471 nan 8.230 nan 0.000 0.433 174 I N 0.489 120.911 120.570 -0.247 0.000 2.226 174 I HA -0.334 3.835 4.170 -0.001 0.000 0.245 174 I C 2.205 178.251 176.117 -0.119 0.000 1.100 174 I CA 1.693 62.844 61.300 -0.247 0.000 1.374 174 I CB -0.335 37.413 38.000 -0.420 0.000 1.057 174 I HN 0.456 nan 8.210 nan 0.000 0.413 175 N N 0.143 118.790 118.700 -0.088 0.000 2.270 175 N HA -0.144 4.595 4.740 -0.001 0.000 0.181 175 N C 1.919 177.416 175.510 -0.021 0.000 1.016 175 N CA 1.388 54.412 53.050 -0.043 0.000 0.870 175 N CB 0.070 38.541 38.487 -0.027 0.000 0.979 175 N HN 0.327 nan 8.380 nan 0.000 0.431 176 S N 0.641 116.341 115.700 0.001 0.000 2.436 176 S HA 0.033 4.503 4.470 -0.001 0.000 0.228 176 S C 1.785 176.348 174.600 -0.062 0.000 1.014 176 S CA 0.378 58.614 58.200 0.060 0.000 0.950 176 S CB -0.278 63.021 63.200 0.165 0.000 0.784 176 S HN 0.239 nan 8.310 nan 0.000 0.504 177 L N 1.512 122.619 121.223 -0.193 0.000 2.478 177 L HA 0.111 4.450 4.340 -0.001 0.000 0.223 177 L C 2.399 179.050 176.870 -0.366 0.000 1.140 177 L CA 0.369 54.901 54.840 -0.513 0.000 0.842 177 L CB -0.475 41.274 42.059 -0.517 0.000 0.953 177 L HN 0.368 nan 8.230 nan 0.000 0.452 178 N N 0.365 118.984 118.700 -0.135 0.000 2.453 178 N HA -0.176 4.563 4.740 -0.001 0.000 0.183 178 N C 1.400 176.872 175.510 -0.064 0.000 1.041 178 N CA 0.891 53.921 53.050 -0.033 0.000 0.900 178 N CB 0.219 38.697 38.487 -0.015 0.000 0.961 178 N HN 0.396 nan 8.380 nan 0.000 0.443 179 E N -0.039 120.076 120.200 -0.141 0.000 2.502 179 E HA 0.076 4.426 4.350 -0.001 0.000 0.194 179 E C -0.144 176.383 176.600 -0.122 0.000 1.062 179 E CA -0.228 56.149 56.400 -0.038 0.000 0.867 179 E CB 0.253 30.034 29.700 0.134 0.000 0.888 179 E HN 0.235 nan 8.360 nan 0.000 0.510 180 A N 1.395 123.952 122.820 -0.438 0.000 2.362 180 A HA 0.220 4.540 4.320 -0.001 0.000 0.276 180 A C 0.014 177.612 177.584 0.024 0.000 1.153 180 A CA -0.261 51.454 52.037 -0.537 0.000 0.813 180 A CB 0.519 18.720 19.000 -1.332 0.000 1.081 180 A HN 0.070 nan 8.150 nan 0.000 0.507 181 Q N 0.821 120.678 119.800 0.095 0.000 2.317 181 Q HA 0.527 4.867 4.340 -0.001 0.000 0.229 181 Q C 0.356 176.515 176.000 0.264 0.000 0.984 181 Q CA -0.017 55.887 55.803 0.167 0.000 0.911 181 Q CB 1.164 29.984 28.738 0.137 0.000 1.217 181 Q HN 0.917 nan 8.270 nan 0.000 0.501 182 A N 0.766 123.690 122.820 0.174 0.000 2.454 182 A HA 0.473 4.793 4.320 -0.001 0.000 0.260 182 A C 0.935 178.614 177.584 0.160 0.000 1.106 182 A CA 0.678 52.803 52.037 0.146 0.000 0.780 182 A CB -0.698 18.330 19.000 0.046 0.000 1.044 182 A HN 0.930 nan 8.150 nan 0.000 0.498 183 G N 2.295 111.215 108.800 0.201 0.000 2.211 183 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.201 183 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.201 183 G C -0.111 174.893 174.900 0.174 0.000 0.997 183 G CA 0.145 45.342 45.100 0.161 0.000 0.652 183 G HN 0.721 nan 8.290 nan 0.000 0.500 184 D N 0.053 120.582 120.400 0.215 0.000 2.348 184 D HA 0.545 5.185 4.640 -0.001 0.000 0.249 184 D C 0.519 176.912 176.300 0.155 0.000 1.110 184 D CA -0.190 53.912 54.000 0.170 0.000 0.967 184 D CB 1.832 42.727 40.800 0.160 0.000 1.139 184 D HN 0.105 nan 8.370 nan 0.000 0.466 185 V N 1.332 121.309 119.914 0.105 0.000 2.439 185 V HA 0.266 4.386 4.120 -0.001 0.000 0.282 185 V C 0.068 176.159 176.094 -0.005 0.000 1.039 185 V CA -0.552 61.781 62.300 0.056 0.000 0.913 185 V CB 1.664 33.464 31.823 -0.040 0.000 0.983 185 V HN 0.204 nan 8.190 nan 0.000 0.460 186 V N 6.526 126.411 119.914 -0.048 0.000 2.376 186 V HA 0.381 4.500 4.120 -0.001 0.000 0.287 186 V C -0.183 175.740 176.094 -0.285 0.000 1.015 186 V CA -0.474 61.679 62.300 -0.245 0.000 0.834 186 V CB 1.639 33.173 31.823 -0.481 0.000 1.001 186 V HN 0.720 nan 8.190 nan 0.000 0.428 187 L N 5.859 126.916 121.223 -0.276 0.000 2.319 187 L HA 0.558 4.898 4.340 -0.001 0.000 0.280 187 L C -1.021 175.627 176.870 -0.369 0.000 1.099 187 L CA 0.198 54.892 54.840 -0.244 0.000 0.828 187 L CB 0.366 42.303 42.059 -0.203 0.000 1.150 187 L HN 0.465 nan 8.230 nan 0.000 0.442 188 F N 2.230 122.071 119.950 -0.182 0.000 2.556 188 F HA 0.406 4.933 4.527 -0.001 0.000 0.327 188 F C -0.225 175.574 175.800 -0.001 0.000 1.059 188 F CA -0.630 57.287 58.000 -0.139 0.000 0.953 188 F CB 1.237 39.823 39.000 -0.690 0.000 1.227 188 F HN 0.388 nan 8.300 nan 0.000 0.478 189 H N 0.384 119.630 119.070 0.294 0.000 2.556 189 H HA 0.307 4.863 4.556 -0.000 0.000 0.310 189 H C 1.012 176.558 175.328 0.363 0.000 1.057 189 H CA -0.282 55.930 56.048 0.274 0.000 1.264 189 H CB 1.380 31.278 29.762 0.227 0.000 1.404 189 H HN 0.739 nan 8.280 nan 0.000 0.462 190 G N 2.424 111.343 108.800 0.199 0.000 2.513 190 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.219 190 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.219 190 G C 0.333 175.353 174.900 0.200 0.000 1.160 190 G CA 1.244 46.165 45.100 -0.298 0.000 0.767 190 G HN 0.797 nan 8.290 nan 0.000 0.571 191 C N -5.473 114.127 119.300 0.499 0.000 3.306 191 C HA 0.550 5.010 4.460 -0.001 0.000 0.335 191 C C 0.244 175.516 174.990 0.470 0.000 1.382 191 C CA -0.959 58.384 59.018 0.541 0.000 1.254 191 C CB 0.702 28.766 27.740 0.540 0.000 1.555 191 C HN 0.997 nan 8.230 nan 0.000 0.463 192 C N 2.454 121.967 119.300 0.354 0.000 3.630 192 C HA -0.113 4.347 4.460 -0.001 0.000 0.297 192 C C 0.454 175.559 174.990 0.192 0.000 1.219 192 C CA 1.043 60.170 59.018 0.181 0.000 2.284 192 C CB -3.158 24.581 27.740 -0.002 0.000 1.430 192 C HN 1.217 nan 8.230 nan 0.000 0.573 193 H N 2.009 121.195 119.070 0.193 0.000 3.125 193 H HA 0.069 4.625 4.556 -0.000 0.000 0.310 193 H C 0.476 175.835 175.328 0.053 0.000 0.980 193 H CA 1.224 57.341 56.048 0.114 0.000 1.422 193 H CB 0.504 30.248 29.762 -0.030 0.000 1.432 193 H HN 0.710 nan 8.280 nan 0.000 0.577 194 N N 7.244 125.803 118.700 -0.234 0.000 2.424 194 N HA 0.146 4.886 4.740 -0.001 0.000 0.271 194 N C -2.019 173.281 175.510 -0.349 0.000 0.985 194 N CA -2.283 50.697 53.050 -0.117 0.000 0.921 194 N CB 1.545 40.083 38.487 0.084 0.000 1.149 194 N HN 0.371 nan 8.380 nan 0.000 0.492 195 P HA 0.035 nan 4.420 nan 0.000 0.251 195 P C 0.875 177.909 177.300 -0.445 0.000 1.223 195 P CA 0.515 63.356 63.100 -0.431 0.000 0.796 195 P CB 0.273 31.625 31.700 -0.579 0.000 1.068 196 T N -3.437 110.916 114.554 -0.336 0.000 2.812 196 T HA 0.097 4.446 4.350 -0.001 0.000 0.264 196 T C 1.748 176.453 174.700 0.009 0.000 1.042 196 T CA 1.532 63.423 62.100 -0.349 0.000 1.140 196 T CB -1.424 67.127 68.868 -0.528 0.000 0.870 196 T HN 0.191 nan 8.240 nan 0.000 0.445 197 G N 1.180 110.065 108.800 0.141 0.000 2.143 197 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.249 197 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.249 197 G C -0.011 175.015 174.900 0.209 0.000 0.981 197 G CA 0.188 45.390 45.100 0.170 0.000 0.665 197 G HN 0.688 nan 8.290 nan 0.000 0.528 198 I N 1.426 122.136 120.570 0.233 0.000 2.339 198 I HA 0.403 4.572 4.170 -0.001 0.000 0.290 198 I C -0.753 175.527 176.117 0.272 0.000 0.994 198 I CA -0.739 60.698 61.300 0.228 0.000 1.191 198 I CB 1.363 39.493 38.000 0.217 0.000 1.343 198 I HN -0.082 nan 8.210 nan 0.000 0.458 199 D N 7.700 128.236 120.400 0.226 0.000 2.269 199 D HA 0.459 5.099 4.640 -0.001 0.000 0.244 199 D C -2.331 173.993 176.300 0.040 0.000 0.992 199 D CA -1.392 52.750 54.000 0.237 0.000 0.894 199 D CB 1.681 42.677 40.800 0.327 0.000 1.248 199 D HN 0.148 nan 8.370 nan 0.000 0.468 200 P HA 0.156 nan 4.420 nan 0.000 0.272 200 P C 0.054 177.161 177.300 -0.322 0.000 1.240 200 P CA -0.341 62.479 63.100 -0.467 0.000 0.791 200 P CB 0.448 31.521 31.700 -1.045 0.000 0.978 201 T N -1.677 112.724 114.554 -0.256 0.000 2.814 201 T HA 0.216 4.565 4.350 -0.001 0.000 0.284 201 T C 1.229 175.987 174.700 0.098 0.000 0.998 201 T CA -0.666 61.413 62.100 -0.036 0.000 0.935 201 T CB 0.111 68.943 68.868 -0.060 0.000 1.167 201 T HN 0.179 nan 8.240 nan 0.000 0.545 202 L N 0.076 121.436 121.223 0.229 0.000 2.027 202 L HA -0.073 4.266 4.340 -0.001 0.000 0.206 202 L C 2.966 179.972 176.870 0.228 0.000 1.074 202 L CA 1.790 56.831 54.840 0.335 0.000 0.745 202 L CB -0.581 41.613 42.059 0.225 0.000 0.898 202 L HN 0.846 nan 8.230 nan 0.000 0.433 203 E N -0.561 119.696 120.200 0.095 0.000 2.085 203 E HA -0.302 4.048 4.350 -0.001 0.000 0.194 203 E C 2.138 178.746 176.600 0.013 0.000 0.994 203 E CA 1.454 57.883 56.400 0.049 0.000 0.801 203 E CB -0.034 29.666 29.700 0.000 0.000 0.743 203 E HN 0.570 nan 8.360 nan 0.000 0.453 204 Q N -0.798 118.917 119.800 -0.143 0.000 2.226 204 Q HA -0.173 4.166 4.340 -0.001 0.000 0.204 204 Q C 1.750 177.752 176.000 0.002 0.000 0.975 204 Q CA 1.098 56.696 55.803 -0.341 0.000 0.866 204 Q CB -0.123 28.137 28.738 -0.797 0.000 0.915 204 Q HN 0.456 nan 8.270 nan 0.000 0.440 205 W N 1.125 122.501 121.300 0.126 0.000 2.381 205 W HA -0.156 4.503 4.660 -0.001 0.000 0.301 205 W C 2.353 179.011 176.519 0.232 0.000 1.205 205 W CA 0.624 58.119 57.345 0.249 0.000 1.285 205 W CB 0.163 29.758 29.460 0.225 0.000 1.133 205 W HN 0.190 nan 8.180 nan 0.000 0.521 206 Q N -0.722 119.307 119.800 0.380 0.000 2.079 206 Q HA -0.171 4.169 4.340 -0.001 0.000 0.200 206 Q C 2.060 178.136 176.000 0.126 0.000 0.974 206 Q CA 2.020 57.937 55.803 0.190 0.000 0.840 206 Q CB -0.728 28.090 28.738 0.132 0.000 0.898 206 Q HN 0.136 nan 8.270 nan 0.000 0.430 207 T N 1.414 116.073 114.554 0.174 0.000 2.684 207 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 207 T C 1.757 176.574 174.700 0.195 0.000 1.036 207 T CA 1.022 63.234 62.100 0.186 0.000 1.148 207 T CB -0.183 68.873 68.868 0.315 0.000 0.863 207 T HN 0.180 nan 8.240 nan 0.000 0.436 208 L N 0.354 121.765 121.223 0.314 0.000 2.291 208 L HA 0.030 4.369 4.340 -0.001 0.000 0.214 208 L C 2.864 179.750 176.870 0.025 0.000 1.120 208 L CA 0.693 55.739 54.840 0.345 0.000 0.799 208 L CB -0.502 41.903 42.059 0.576 0.000 0.925 208 L HN 0.233 nan 8.230 nan 0.000 0.446 209 A N -0.259 122.376 122.820 -0.307 0.000 1.897 209 A HA -0.206 4.114 4.320 -0.001 0.000 0.215 209 A C 2.218 179.562 177.584 -0.400 0.000 1.181 209 A CA 1.203 52.667 52.037 -0.955 0.000 0.620 209 A CB -0.323 18.306 19.000 -0.618 0.000 0.821 209 A HN 0.430 nan 8.150 nan 0.000 0.443 210 Q N -0.361 119.311 119.800 -0.212 0.000 2.119 210 Q HA -0.058 4.282 4.340 -0.001 0.000 0.201 210 Q C 2.102 177.978 176.000 -0.207 0.000 0.972 210 Q CA 1.235 56.930 55.803 -0.179 0.000 0.847 210 Q CB -0.305 28.372 28.738 -0.102 0.000 0.903 210 Q HN 0.639 nan 8.270 nan 0.000 0.433 211 L N 0.685 121.806 121.223 -0.170 0.000 1.994 211 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 211 L C 2.594 179.135 176.870 -0.547 0.000 1.071 211 L CA 1.530 56.200 54.840 -0.284 0.000 0.745 211 L CB -0.695 41.262 42.059 -0.170 0.000 0.892 211 L HN 0.310 nan 8.230 nan 0.000 0.431 212 S N -1.174 114.311 115.700 -0.359 0.000 2.465 212 S HA -0.125 4.344 4.470 -0.001 0.000 0.241 212 S C 1.759 176.184 174.600 -0.292 0.000 1.000 212 S CA 0.990 59.001 58.200 -0.315 0.000 0.964 212 S CB -0.581 63.035 63.200 0.694 0.000 0.763 212 S HN 0.204 nan 8.310 nan 0.000 0.512 213 V N 1.564 121.246 119.914 -0.387 0.000 2.446 213 V HA -0.018 4.102 4.120 -0.001 0.000 0.244 213 V C 2.759 178.655 176.094 -0.329 0.000 1.039 213 V CA 1.716 63.753 62.300 -0.438 0.000 1.045 213 V CB -0.375 31.159 31.823 -0.483 0.000 0.681 213 V HN 0.591 nan 8.190 nan 0.000 0.459 214 E N -0.023 119.977 120.200 -0.332 0.000 2.072 214 E HA -0.179 4.170 4.350 -0.001 0.000 0.190 214 E C 1.943 178.346 176.600 -0.328 0.000 0.982 214 E CA 0.796 57.031 56.400 -0.275 0.000 0.803 214 E CB 0.123 29.681 29.700 -0.237 0.000 0.755 214 E HN 0.325 nan 8.360 nan 0.000 0.453 215 K N -0.466 119.611 120.400 -0.538 0.000 2.432 215 K HA 0.025 4.345 4.320 -0.001 0.000 0.196 215 K C 1.121 177.391 176.600 -0.550 0.000 1.038 215 K CA 0.826 56.723 56.287 -0.651 0.000 0.986 215 K CB 0.412 32.166 32.500 -1.243 0.000 0.782 215 K HN 0.348 nan 8.250 nan 0.000 0.485 216 G N 1.534 110.080 108.800 -0.423 0.000 2.147 216 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.244 216 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.244 216 G C -0.168 174.762 174.900 0.049 0.000 1.005 216 G CA 0.003 45.011 45.100 -0.153 0.000 0.713 216 G HN 0.101 nan 8.290 nan 0.000 0.515 217 W N -0.789 120.566 121.300 0.092 0.000 2.183 217 W HA 0.665 5.325 4.660 -0.001 0.000 0.348 217 W C 0.607 177.256 176.519 0.217 0.000 1.257 217 W CA -1.375 56.044 57.345 0.124 0.000 1.324 217 W CB 0.347 29.871 29.460 0.106 0.000 1.144 217 W HN 0.054 nan 8.180 nan 0.000 0.622 218 L N 4.781 126.271 121.223 0.445 0.000 2.283 218 L HA 0.325 4.664 4.340 -0.001 0.000 0.281 218 L C -2.230 174.849 176.870 0.347 0.000 1.033 218 L CA -1.773 53.284 54.840 0.361 0.000 0.848 218 L CB 1.052 43.270 42.059 0.266 0.000 1.226 218 L HN -0.053 nan 8.230 nan 0.000 0.429 219 P HA 0.165 nan 4.420 nan 0.000 0.271 219 P C -0.976 176.484 177.300 0.267 0.000 1.216 219 P CA -0.148 63.163 63.100 0.352 0.000 0.776 219 P CB 0.935 32.843 31.700 0.346 0.000 0.881 220 L N 3.849 125.183 121.223 0.185 0.000 2.372 220 L HA 0.486 4.826 4.340 -0.001 0.000 0.274 220 L C -1.245 175.703 176.870 0.131 0.000 0.988 220 L CA -0.820 54.133 54.840 0.188 0.000 0.833 220 L CB 0.535 42.676 42.059 0.136 0.000 1.236 220 L HN 0.212 nan 8.230 nan 0.000 0.410 221 F N 2.722 122.709 119.950 0.062 0.000 2.410 221 F HA 0.259 4.786 4.527 -0.001 0.000 0.349 221 F C 0.520 176.325 175.800 0.008 0.000 1.117 221 F CA -0.413 57.582 58.000 -0.008 0.000 1.104 221 F CB 1.160 40.036 39.000 -0.205 0.000 1.122 221 F HN 0.367 nan 8.300 nan 0.000 0.483 222 D N 4.062 124.537 120.400 0.125 0.000 2.411 222 D HA 0.100 4.740 4.640 -0.001 0.000 0.225 222 D C -1.230 175.153 176.300 0.139 0.000 1.156 222 D CA -0.059 53.988 54.000 0.077 0.000 0.874 222 D CB 0.054 40.817 40.800 -0.061 0.000 1.034 222 D HN 0.105 nan 8.370 nan 0.000 0.502 223 F N 2.918 122.880 119.950 0.019 0.000 2.308 223 F HA 0.480 5.006 4.527 -0.001 0.000 0.370 223 F C 0.522 176.263 175.800 -0.098 0.000 1.100 223 F CA -1.368 56.630 58.000 -0.002 0.000 1.108 223 F CB 1.092 40.062 39.000 -0.051 0.000 1.293 223 F HN 0.445 nan 8.300 nan 0.000 0.478 224 A N 4.338 127.263 122.820 0.175 0.000 2.498 224 A HA 0.220 4.539 4.320 -0.001 0.000 0.238 224 A C -0.518 176.817 177.584 -0.416 0.000 1.225 224 A CA 0.147 52.066 52.037 -0.195 0.000 0.978 224 A CB -0.025 18.783 19.000 -0.320 0.000 1.142 224 A HN 0.530 nan 8.150 nan 0.000 0.552 225 Y N 0.528 120.864 120.300 0.059 0.000 2.577 225 Y HA 0.326 4.875 4.550 -0.000 0.000 0.307 225 Y C 0.405 176.414 175.900 0.182 0.000 0.940 225 Y CA -0.576 57.619 58.100 0.158 0.000 1.132 225 Y CB 0.330 38.840 38.460 0.084 0.000 1.184 225 Y HN 0.365 nan 8.280 nan 0.000 0.611 226 Q N 0.445 120.200 119.800 -0.076 0.000 2.297 226 Q HA 0.404 4.744 4.340 -0.001 0.000 0.267 226 Q C 1.091 177.074 176.000 -0.028 0.000 1.006 226 Q CA 1.281 56.929 55.803 -0.258 0.000 0.896 226 Q CB 0.615 28.925 28.738 -0.714 0.000 1.186 226 Q HN 0.829 nan 8.270 nan 0.000 0.392 227 G N 3.180 111.964 108.800 -0.025 0.000 2.284 227 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.216 227 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.216 227 G C 0.251 175.046 174.900 -0.174 0.000 1.009 227 G CA 0.075 45.072 45.100 -0.170 0.000 0.625 227 G HN 0.665 nan 8.290 nan 0.000 0.501 228 F N 1.798 121.769 119.950 0.036 0.000 2.780 228 F HA 0.533 5.059 4.527 -0.001 0.000 0.299 228 F C 2.478 178.308 175.800 0.049 0.000 1.146 228 F CA 1.309 59.339 58.000 0.049 0.000 1.428 228 F CB 0.183 39.262 39.000 0.131 0.000 1.115 228 F HN 0.423 nan 8.300 nan 0.000 0.583 229 A N 0.060 123.013 122.820 0.221 0.000 1.963 229 A HA 0.214 4.534 4.320 -0.001 0.000 0.211 229 A C 2.111 179.764 177.584 0.115 0.000 1.380 229 A CA 0.443 52.585 52.037 0.174 0.000 0.690 229 A CB 0.072 19.199 19.000 0.211 0.000 1.060 229 A HN 0.203 nan 8.150 nan 0.000 0.498 230 R N -2.186 118.372 120.500 0.097 0.000 2.302 230 R HA 0.396 4.735 4.340 -0.001 0.000 0.187 230 R C 0.658 176.965 176.300 0.012 0.000 0.904 230 R CA 0.666 56.801 56.100 0.059 0.000 1.105 230 R CB 1.060 31.407 30.300 0.079 0.000 1.239 230 R HN 0.561 nan 8.270 nan 0.000 0.620 234 E N 1.274 121.477 120.200 0.004 0.000 2.046 234 E HA -0.149 4.201 4.350 -0.001 0.000 0.190 234 E C 1.578 178.206 176.600 0.048 0.000 0.982 234 E CA 1.418 57.833 56.400 0.024 0.000 0.800 234 E CB 0.096 29.807 29.700 0.017 0.000 0.756 234 E HN 0.434 nan 8.360 nan 0.000 0.449 235 E N 1.268 121.497 120.200 0.050 0.000 2.097 235 E HA -0.184 4.166 4.350 -0.001 0.000 0.196 235 E C 1.642 178.313 176.600 0.120 0.000 1.000 235 E CA 1.440 57.886 56.400 0.077 0.000 0.804 235 E CB -0.114 29.629 29.700 0.072 0.000 0.740 235 E HN 0.160 nan 8.360 nan 0.000 0.454 236 D N -0.503 119.981 120.400 0.141 0.000 2.309 236 D HA -0.086 4.553 4.640 -0.001 0.000 0.212 236 D C 1.168 177.672 176.300 0.339 0.000 0.968 236 D CA 1.143 55.290 54.000 0.244 0.000 0.882 236 D CB -0.037 40.895 40.800 0.220 0.000 0.918 236 D HN 0.233 nan 8.370 nan 0.000 0.503 237 A N -0.059 122.892 122.820 0.218 0.000 2.348 237 A HA 0.084 4.404 4.320 -0.001 0.000 0.224 237 A C 1.758 179.312 177.584 -0.051 0.000 1.227 237 A CA -0.109 52.027 52.037 0.164 0.000 0.885 237 A CB 0.008 19.110 19.000 0.170 0.000 0.933 237 A HN 0.034 nan 8.150 nan 0.000 0.506 238 E N 0.242 120.423 120.200 -0.032 0.000 2.065 238 E HA -0.214 4.135 4.350 -0.001 0.000 0.201 238 E C 2.119 178.579 176.600 -0.233 0.000 1.016 238 E CA 1.344 57.707 56.400 -0.062 0.000 0.818 238 E CB -0.290 29.428 29.700 0.031 0.000 0.749 238 E HN 0.603 nan 8.360 nan 0.000 0.453 239 G N 1.591 110.040 108.800 -0.585 0.000 2.480 239 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.216 239 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.216 239 G C 1.516 175.910 174.900 -0.844 0.000 1.200 239 G CA 0.649 44.971 45.100 -1.297 0.000 0.782 239 G HN 0.213 nan 8.290 nan 0.000 0.554 240 L N -0.150 120.477 121.223 -0.994 0.000 2.081 240 L HA -0.108 4.232 4.340 -0.001 0.000 0.212 240 L C 3.079 179.672 176.870 -0.462 0.000 1.080 240 L CA 1.701 55.819 54.840 -1.204 0.000 0.754 240 L CB -0.176 41.210 42.059 -1.122 0.000 0.893 240 L HN 0.178 nan 8.230 nan 0.000 0.433 241 R N -0.462 119.893 120.500 -0.242 0.000 2.090 241 R HA -0.028 4.312 4.340 -0.001 0.000 0.228 241 R C 2.350 178.653 176.300 0.004 0.000 1.110 241 R CA 1.295 57.364 56.100 -0.052 0.000 0.973 241 R CB -0.449 29.844 30.300 -0.011 0.000 0.869 241 R HN 0.480 nan 8.270 nan 0.000 0.440 242 A N -0.282 122.548 122.820 0.016 0.000 1.972 242 A HA -0.146 4.174 4.320 -0.001 0.000 0.219 242 A C 1.759 179.426 177.584 0.138 0.000 1.169 242 A CA 1.165 53.256 52.037 0.089 0.000 0.635 242 A CB -0.505 18.583 19.000 0.146 0.000 0.810 242 A HN 0.230 nan 8.150 nan 0.000 0.446 243 F N -0.043 119.884 119.950 -0.038 0.000 2.098 243 F HA 0.036 4.563 4.527 -0.000 0.000 0.294 243 F C 2.780 178.615 175.800 0.059 0.000 1.107 243 F CA 0.980 59.006 58.000 0.043 0.000 1.234 243 F CB -0.676 38.303 39.000 -0.036 0.000 1.002 243 F HN 0.229 nan 8.300 nan 0.000 0.472 244 A N -0.110 122.795 122.820 0.141 0.000 2.084 244 A HA -0.132 4.188 4.320 -0.001 0.000 0.221 244 A C 2.317 179.902 177.584 0.003 0.000 1.161 244 A CA 1.695 53.748 52.037 0.027 0.000 0.653 244 A CB -1.274 17.670 19.000 -0.092 0.000 0.802 244 A HN 0.340 nan 8.150 nan 0.000 0.457 245 A N -0.741 122.096 122.820 0.027 0.000 1.930 245 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 245 A C 2.158 179.745 177.584 0.006 0.000 1.175 245 A CA 1.679 53.718 52.037 0.003 0.000 0.627 245 A CB -0.352 18.654 19.000 0.009 0.000 0.815 245 A HN 0.546 nan 8.150 nan 0.000 0.443 246 M N -1.724 117.901 119.600 0.041 0.000 2.567 246 M HA 0.161 4.640 4.480 -0.001 0.000 0.261 246 M C -0.053 176.236 176.300 -0.020 0.000 1.180 246 M CA 0.148 55.436 55.300 -0.019 0.000 1.143 246 M CB -0.020 32.527 32.600 -0.088 0.000 1.319 246 M HN 0.315 nan 8.290 nan 0.000 0.490 247 H N 0.484 119.552 119.070 -0.003 0.000 2.487 247 H HA 0.173 4.728 4.556 -0.001 0.000 0.333 247 H C 0.736 176.076 175.328 0.020 0.000 1.114 247 H CA 0.152 56.222 56.048 0.036 0.000 1.310 247 H CB 1.580 31.423 29.762 0.135 0.000 1.462 247 H HN -0.129 nan 8.280 nan 0.000 0.516 248 K N 1.076 121.558 120.400 0.137 0.000 2.098 248 K HA 0.056 4.376 4.320 -0.001 0.000 0.203 248 K C -0.398 176.270 176.600 0.114 0.000 1.051 248 K CA 1.004 57.338 56.287 0.079 0.000 0.957 248 K CB 0.562 33.092 32.500 0.049 0.000 0.738 248 K HN 0.689 nan 8.250 nan 0.000 0.447 249 E N -0.255 120.055 120.200 0.184 0.000 2.238 249 E HA 0.518 4.868 4.350 -0.001 0.000 0.267 249 E C -1.433 175.306 176.600 0.231 0.000 0.887 249 E CA -0.809 55.704 56.400 0.189 0.000 0.769 249 E CB 2.342 32.157 29.700 0.192 0.000 1.187 249 E HN -0.027 nan 8.360 nan 0.000 0.416 250 L N 2.162 123.506 121.223 0.203 0.000 2.653 250 L HA 0.523 4.862 4.340 -0.001 0.000 0.257 250 L C -1.888 175.115 176.870 0.222 0.000 0.969 250 L CA -0.330 54.641 54.840 0.218 0.000 0.869 250 L CB 2.055 44.225 42.059 0.185 0.000 1.439 250 L HN 0.559 nan 8.230 nan 0.000 0.414 251 I N 2.888 123.605 120.570 0.246 0.000 2.533 251 I HA 0.583 4.753 4.170 -0.001 0.000 0.290 251 I C -1.225 175.034 176.117 0.238 0.000 1.056 251 I CA -0.807 60.631 61.300 0.229 0.000 1.057 251 I CB 2.122 40.266 38.000 0.239 0.000 1.240 251 I HN 0.119 nan 8.210 nan 0.000 0.423 252 V N 5.133 125.161 119.914 0.190 0.000 2.483 252 V HA 0.653 4.773 4.120 -0.001 0.000 0.297 252 V C -0.076 176.092 176.094 0.123 0.000 1.027 252 V CA -0.612 61.781 62.300 0.155 0.000 0.855 252 V CB 1.682 33.538 31.823 0.055 0.000 0.995 252 V HN 0.788 nan 8.190 nan 0.000 0.424 253 A N 3.841 126.745 122.820 0.140 0.000 2.277 253 A HA 0.813 5.133 4.320 -0.001 0.000 0.318 253 A C 0.204 177.827 177.584 0.066 0.000 1.339 253 A CA -0.312 51.788 52.037 0.106 0.000 0.875 253 A CB 0.723 19.806 19.000 0.138 0.000 1.158 253 A HN 1.018 nan 8.150 nan 0.000 0.514 254 S N 1.498 117.188 115.700 -0.017 0.000 2.607 254 S HA 0.842 5.312 4.470 -0.001 0.000 0.303 254 S C -0.176 174.278 174.600 -0.243 0.000 1.086 254 S CA -0.547 57.579 58.200 -0.123 0.000 0.995 254 S CB 1.817 64.888 63.200 -0.214 0.000 1.084 254 S HN 0.911 nan 8.310 nan 0.000 0.507 255 S N -0.012 115.484 115.700 -0.340 0.000 2.542 255 S HA 0.629 5.099 4.470 -0.001 0.000 0.293 255 S C -1.239 173.094 174.600 -0.446 0.000 1.089 255 S CA -0.573 57.437 58.200 -0.317 0.000 0.961 255 S CB 0.772 63.831 63.200 -0.235 0.000 1.062 255 S HN 0.707 nan 8.310 nan 0.000 0.483 256 Y N 1.690 121.954 120.300 -0.060 0.000 2.481 256 Y HA 0.292 4.841 4.550 -0.001 0.000 0.247 256 Y C 2.243 178.126 175.900 -0.028 0.000 1.151 256 Y CA -0.132 57.952 58.100 -0.027 0.000 1.238 256 Y CB 0.059 38.421 38.460 -0.163 0.000 1.179 256 Y HN 0.565 nan 8.280 nan 0.000 0.524 257 S N 0.326 116.020 115.700 -0.011 0.000 2.359 257 S HA -0.213 4.257 4.470 -0.001 0.000 0.224 257 S C 1.836 176.211 174.600 -0.376 0.000 1.035 257 S CA 1.900 60.010 58.200 -0.150 0.000 1.018 257 S CB 0.005 63.175 63.200 -0.050 0.000 0.876 257 S HN 0.352 nan 8.310 nan 0.000 0.448 258 K N 1.464 121.745 120.400 -0.199 0.000 2.141 258 K HA 0.136 4.456 4.320 -0.001 0.000 0.202 258 K C 1.726 178.483 176.600 0.261 0.000 1.045 258 K CA 0.990 57.223 56.287 -0.089 0.000 0.971 258 K CB -0.240 32.069 32.500 -0.317 0.000 0.795 258 K HN 0.581 nan 8.250 nan 0.000 0.459 259 N N -0.543 118.383 118.700 0.376 0.000 2.494 259 N HA -0.075 4.665 4.740 -0.001 0.000 0.182 259 N C 0.504 176.103 175.510 0.148 0.000 1.076 259 N CA 0.582 53.808 53.050 0.293 0.000 0.908 259 N CB 0.058 38.678 38.487 0.221 0.000 0.967 259 N HN 0.024 nan 8.380 nan 0.000 0.449 260 F N 0.484 120.512 119.950 0.131 0.000 2.654 260 F HA 0.393 4.919 4.527 -0.001 0.000 0.303 260 F C 1.415 177.183 175.800 -0.053 0.000 1.099 260 F CA -0.373 57.671 58.000 0.074 0.000 1.270 260 F CB 0.540 39.486 39.000 -0.090 0.000 1.024 260 F HN 0.089 nan 8.300 nan 0.000 0.548 261 G N 1.155 109.898 108.800 -0.095 0.000 2.379 261 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.297 261 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.297 261 G C 0.586 175.301 174.900 -0.308 0.000 1.004 261 G CA 0.247 45.169 45.100 -0.296 0.000 0.921 261 G HN 0.259 nan 8.290 nan 0.000 0.511 262 L N -0.417 120.611 121.223 -0.325 0.000 2.818 262 L HA 0.385 4.725 4.340 -0.001 0.000 0.243 262 L C 2.056 178.883 176.870 -0.072 0.000 1.185 262 L CA -0.913 53.864 54.840 -0.106 0.000 0.988 262 L CB -1.191 40.870 42.059 0.003 0.000 1.292 262 L HN 0.398 nan 8.230 nan 0.000 0.519 263 Y N 0.709 121.057 120.300 0.079 0.000 2.065 263 Y HA -0.427 4.122 4.550 -0.001 0.000 0.251 263 Y C 2.075 177.992 175.900 0.029 0.000 1.258 263 Y CA 2.359 60.487 58.100 0.047 0.000 1.070 263 Y CB -1.270 37.217 38.460 0.046 0.000 0.880 263 Y HN 0.575 nan 8.280 nan 0.000 0.509 264 N N -0.653 118.165 118.700 0.196 0.000 2.383 264 N HA -0.049 4.691 4.740 -0.001 0.000 0.192 264 N C 0.870 176.408 175.510 0.047 0.000 1.141 264 N CA 0.373 53.483 53.050 0.100 0.000 0.851 264 N CB 0.064 38.599 38.487 0.079 0.000 0.976 264 N HN 0.382 nan 8.380 nan 0.000 0.465 265 E N 1.066 121.291 120.200 0.041 0.000 2.400 265 E HA 0.049 4.399 4.350 -0.001 0.000 0.195 265 E C -0.192 176.397 176.600 -0.018 0.000 1.012 265 E CA 0.057 56.465 56.400 0.013 0.000 0.875 265 E CB 0.255 29.980 29.700 0.042 0.000 0.859 265 E HN 0.285 nan 8.360 nan 0.000 0.498 266 R N -0.049 120.443 120.500 -0.012 0.000 2.650 266 R HA -0.096 4.244 4.340 -0.001 0.000 0.315 266 R C -0.943 175.319 176.300 -0.064 0.000 0.986 266 R CA 0.208 56.287 56.100 -0.036 0.000 0.744 266 R CB -2.640 27.623 30.300 -0.062 0.000 2.072 266 R HN -0.078 nan 8.270 nan 0.000 0.477 267 V N 0.409 120.310 119.914 -0.022 0.000 2.483 267 V HA 0.929 5.048 4.120 -0.001 0.000 0.297 267 V C 0.868 177.048 176.094 0.143 0.000 1.027 267 V CA -0.080 62.226 62.300 0.010 0.000 0.855 267 V CB 2.286 34.124 31.823 0.026 0.000 0.995 267 V HN 0.829 nan 8.190 nan 0.000 0.424 268 G N 2.479 111.388 108.800 0.180 0.000 2.600 268 G HA2 0.912 4.871 3.960 -0.001 0.000 0.293 268 G HA3 0.912 4.871 3.960 -0.001 0.000 0.293 268 G C -1.540 173.533 174.900 0.289 0.000 1.408 268 G CA -0.100 45.094 45.100 0.157 0.000 0.782 268 G HN 1.261 nan 8.290 nan 0.000 0.482 269 A N -1.471 121.447 122.820 0.162 0.000 2.549 269 A HA 0.645 4.965 4.320 -0.001 0.000 0.297 269 A C -1.124 176.524 177.584 0.106 0.000 1.061 269 A CA -0.363 51.791 52.037 0.195 0.000 0.690 269 A CB 1.543 20.633 19.000 0.150 0.000 1.287 269 A HN 1.758 nan 8.150 nan 0.000 0.402 270 C N 2.245 121.632 119.300 0.145 0.000 2.264 270 C HA 0.705 5.165 4.460 -0.001 0.000 0.322 270 C C 0.193 175.263 174.990 0.132 0.000 1.210 270 C CA -0.024 59.074 59.018 0.134 0.000 1.539 270 C CB -0.906 26.923 27.740 0.148 0.000 2.167 270 C HN 0.764 nan 8.230 nan 0.000 0.463 271 T N 6.831 121.441 114.554 0.094 0.000 2.733 271 T HA 0.319 4.669 4.350 -0.001 0.000 0.294 271 T C -0.255 174.525 174.700 0.133 0.000 0.956 271 T CA 0.003 62.157 62.100 0.091 0.000 0.987 271 T CB 0.610 69.508 68.868 0.050 0.000 0.920 271 T HN 0.608 nan 8.240 nan 0.000 0.470 272 L N 5.184 126.470 121.223 0.105 0.000 2.264 272 L HA 0.573 4.913 4.340 -0.001 0.000 0.287 272 L C -0.134 176.787 176.870 0.086 0.000 1.039 272 L CA -0.771 54.128 54.840 0.098 0.000 0.829 272 L CB 0.846 42.958 42.059 0.089 0.000 1.211 272 L HN 0.441 nan 8.230 nan 0.000 0.427 273 V N 3.542 123.521 119.914 0.109 0.000 2.483 273 V HA 0.933 5.053 4.120 -0.001 0.000 0.295 273 V C -0.178 175.959 176.094 0.071 0.000 1.035 273 V CA -0.082 62.248 62.300 0.050 0.000 0.896 273 V CB 1.530 33.326 31.823 -0.044 0.000 0.986 273 V HN 0.784 nan 8.190 nan 0.000 0.447 274 A N 4.623 127.471 122.820 0.047 0.000 2.414 274 A HA 0.957 5.277 4.320 -0.001 0.000 0.278 274 A C 1.246 178.851 177.584 0.035 0.000 1.228 274 A CA -0.234 51.843 52.037 0.067 0.000 0.857 274 A CB 1.104 20.154 19.000 0.082 0.000 1.389 274 A HN 1.943 nan 8.150 nan 0.000 0.452 275 A N -0.630 122.215 122.820 0.042 0.000 1.933 275 A HA 0.231 4.551 4.320 -0.001 0.000 0.218 275 A C 0.613 178.201 177.584 0.007 0.000 1.175 275 A CA 2.402 54.453 52.037 0.023 0.000 0.628 275 A CB -0.721 18.296 19.000 0.029 0.000 0.814 275 A HN 1.077 nan 8.150 nan 0.000 0.444 276 D N -4.673 115.736 120.400 0.013 0.000 2.643 276 D HA 0.356 4.996 4.640 -0.001 0.000 0.283 276 D C 0.579 176.885 176.300 0.009 0.000 1.242 276 D CA 0.124 54.127 54.000 0.005 0.000 0.863 276 D CB 0.489 41.293 40.800 0.007 0.000 1.382 276 D HN -0.120 nan 8.370 nan 0.000 0.444 277 S N -0.851 114.850 115.700 0.002 0.000 2.359 277 S HA -0.264 4.206 4.470 -0.001 0.000 0.224 277 S C 1.465 176.077 174.600 0.020 0.000 1.035 277 S CA 1.892 60.094 58.200 0.003 0.000 1.018 277 S CB -0.498 62.701 63.200 -0.002 0.000 0.876 277 S HN 0.526 nan 8.310 nan 0.000 0.448 278 E N -0.355 119.860 120.200 0.026 0.000 2.106 278 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 278 E C 1.952 178.584 176.600 0.054 0.000 0.984 278 E CA 1.526 57.949 56.400 0.037 0.000 0.806 278 E CB -0.362 29.357 29.700 0.032 0.000 0.750 278 E HN 0.590 nan 8.360 nan 0.000 0.458 279 T N 0.690 115.276 114.554 0.054 0.000 2.701 279 T HA -0.118 4.232 4.350 -0.001 0.000 0.263 279 T C 1.902 176.659 174.700 0.096 0.000 1.040 279 T CA 1.218 63.363 62.100 0.074 0.000 1.147 279 T CB -0.428 68.481 68.868 0.068 0.000 0.865 279 T HN 0.061 nan 8.240 nan 0.000 0.426 280 V N 1.714 121.676 119.914 0.079 0.000 2.469 280 V HA -0.207 3.913 4.120 -0.001 0.000 0.251 280 V C 2.004 178.171 176.094 0.121 0.000 1.064 280 V CA 2.118 64.472 62.300 0.090 0.000 1.066 280 V CB -0.585 31.264 31.823 0.042 0.000 0.667 280 V HN 0.403 nan 8.190 nan 0.000 0.461 281 D N -0.650 119.808 120.400 0.097 0.000 2.144 281 D HA -0.138 4.502 4.640 -0.001 0.000 0.199 281 D C 2.430 178.831 176.300 0.169 0.000 0.984 281 D CA 1.255 55.331 54.000 0.127 0.000 0.834 281 D CB -0.139 40.710 40.800 0.082 0.000 0.955 281 D HN 0.358 nan 8.370 nan 0.000 0.465 282 R N -0.141 120.439 120.500 0.135 0.000 2.073 282 R HA 0.058 4.398 4.340 -0.001 0.000 0.229 282 R C 2.159 178.558 176.300 0.165 0.000 1.120 282 R CA 1.031 57.207 56.100 0.128 0.000 0.967 282 R CB -0.135 30.226 30.300 0.101 0.000 0.862 282 R HN 0.103 nan 8.270 nan 0.000 0.436 283 A N 0.572 123.513 122.820 0.201 0.000 1.865 283 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 283 A C 1.955 179.681 177.584 0.236 0.000 1.191 283 A CA 1.376 53.587 52.037 0.290 0.000 0.623 283 A CB -0.846 18.334 19.000 0.299 0.000 0.826 283 A HN 0.413 nan 8.150 nan 0.000 0.444 284 F N 2.108 122.068 119.950 0.017 0.000 2.202 284 F HA -0.224 4.303 4.527 -0.001 0.000 0.301 284 F C 2.745 178.546 175.800 0.002 0.000 1.082 284 F CA 1.819 59.789 58.000 -0.050 0.000 1.313 284 F CB -0.276 38.704 39.000 -0.034 0.000 1.024 284 F HN 0.341 nan 8.300 nan 0.000 0.495 285 S N -0.876 114.845 115.700 0.035 0.000 2.442 285 S HA -0.207 4.263 4.470 -0.001 0.000 0.236 285 S C 1.832 176.391 174.600 -0.069 0.000 1.007 285 S CA 0.972 59.146 58.200 -0.043 0.000 0.965 285 S CB -0.457 62.767 63.200 0.040 0.000 0.773 285 S HN 0.469 nan 8.310 nan 0.000 0.504 286 Q N 0.652 120.469 119.800 0.028 0.000 2.163 286 Q HA 0.170 4.509 4.340 -0.001 0.000 0.198 286 Q C 2.138 178.191 176.000 0.088 0.000 0.954 286 Q CA 1.102 56.971 55.803 0.109 0.000 0.851 286 Q CB -0.472 28.420 28.738 0.258 0.000 0.928 286 Q HN 0.716 nan 8.270 nan 0.000 0.459 287 M N 0.901 120.477 119.600 -0.039 0.000 2.080 287 M HA -0.218 4.261 4.480 -0.001 0.000 0.260 287 M C 1.689 177.818 176.300 -0.285 0.000 1.068 287 M CA 1.657 56.827 55.300 -0.218 0.000 1.109 287 M CB 0.049 32.303 32.600 -0.576 0.000 1.342 287 M HN -0.016 nan 8.290 nan 0.000 0.405 288 K N 0.059 120.188 120.400 -0.451 0.000 2.147 288 K HA -0.092 4.228 4.320 -0.001 0.000 0.205 288 K C 1.925 178.405 176.600 -0.200 0.000 1.049 288 K CA 1.286 57.360 56.287 -0.355 0.000 0.936 288 K CB -0.280 31.996 32.500 -0.373 0.000 0.722 288 K HN 0.469 nan 8.250 nan 0.000 0.446 289 A N 1.337 124.075 122.820 -0.137 0.000 1.968 289 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 289 A C 2.315 179.851 177.584 -0.081 0.000 1.169 289 A CA 1.569 53.554 52.037 -0.086 0.000 0.638 289 A CB -0.452 18.523 19.000 -0.042 0.000 0.812 289 A HN 0.309 nan 8.150 nan 0.000 0.446 290 A N 0.027 122.810 122.820 -0.062 0.000 1.897 290 A HA 0.020 4.339 4.320 -0.001 0.000 0.215 290 A C 2.071 179.576 177.584 -0.130 0.000 1.181 290 A CA 1.297 53.307 52.037 -0.045 0.000 0.620 290 A CB -0.525 18.498 19.000 0.039 0.000 0.821 290 A HN 0.464 nan 8.150 nan 0.000 0.443 291 I N -0.726 119.724 120.570 -0.201 0.000 2.226 291 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 291 I C 2.625 178.471 176.117 -0.451 0.000 1.100 291 I CA 1.673 62.727 61.300 -0.408 0.000 1.374 291 I CB -0.240 37.559 38.000 -0.336 0.000 1.057 291 I HN 0.286 nan 8.210 nan 0.000 0.413 292 R N 1.924 122.261 120.500 -0.272 0.000 2.120 292 R HA -0.095 4.245 4.340 -0.001 0.000 0.234 292 R C 1.945 178.138 176.300 -0.178 0.000 1.123 292 R CA 1.789 57.761 56.100 -0.213 0.000 0.975 292 R CB -0.572 29.640 30.300 -0.147 0.000 0.866 292 R HN 0.350 nan 8.270 nan 0.000 0.446 293 A N -0.254 122.474 122.820 -0.153 0.000 2.169 293 A HA 0.046 4.365 4.320 -0.001 0.000 0.212 293 A C 1.693 179.221 177.584 -0.094 0.000 1.153 293 A CA 0.816 52.794 52.037 -0.099 0.000 0.756 293 A CB -0.417 18.545 19.000 -0.064 0.000 0.813 293 A HN 0.426 nan 8.150 nan 0.000 0.471 294 N N -0.464 118.137 118.700 -0.164 0.000 2.400 294 N HA 0.022 4.762 4.740 -0.001 0.000 0.228 294 N C 1.108 176.567 175.510 -0.085 0.000 1.023 294 N CA 1.498 54.475 53.050 -0.121 0.000 1.150 294 N CB -0.269 38.129 38.487 -0.149 0.000 1.452 294 N HN 0.423 nan 8.380 nan 0.000 0.605 295 Y N -1.188 119.111 120.300 -0.002 0.000 2.507 295 Y HA 0.573 5.123 4.550 -0.001 0.000 0.254 295 Y C 1.364 177.257 175.900 -0.011 0.000 1.171 295 Y CA 0.241 58.341 58.100 -0.001 0.000 1.238 295 Y CB -0.058 38.406 38.460 0.007 0.000 1.148 295 Y HN 0.176 nan 8.280 nan 0.000 0.525 296 S N 0.755 116.311 115.700 -0.241 0.000 1.991 296 S HA -0.317 4.153 4.470 -0.001 0.000 0.246 296 S C -0.094 174.439 174.600 -0.111 0.000 0.933 296 S CA 1.919 60.022 58.200 -0.160 0.000 1.899 296 S CB -1.780 61.366 63.200 -0.089 0.000 1.228 296 S HN 0.977 nan 8.310 nan 0.000 0.496 297 N N 1.492 120.258 118.700 0.110 0.000 2.494 297 N HA 0.731 5.471 4.740 -0.001 0.000 0.270 297 N C -3.368 172.347 175.510 0.342 0.000 1.285 297 N CA -1.496 51.663 53.050 0.183 0.000 0.812 297 N CB 1.565 40.103 38.487 0.084 0.000 1.557 297 N HN 0.301 nan 8.380 nan 0.000 0.487 298 P HA 0.365 nan 4.420 nan 0.000 0.278 298 P C -2.648 174.646 177.300 -0.010 0.000 1.258 298 P CA -1.460 61.673 63.100 0.055 0.000 0.811 298 P CB -0.134 31.567 31.700 0.002 0.000 1.063 299 P HA 0.087 nan 4.420 nan 0.000 0.271 299 P C 0.483 177.735 177.300 -0.081 0.000 1.233 299 P CA 0.070 63.135 63.100 -0.058 0.000 0.764 299 P CB 0.557 32.212 31.700 -0.076 0.000 0.825 300 A N 3.987 126.780 122.820 -0.044 0.000 1.877 300 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 300 A C 2.244 179.772 177.584 -0.094 0.000 1.186 300 A CA 1.362 53.354 52.037 -0.074 0.000 0.620 300 A CB -1.698 17.279 19.000 -0.039 0.000 0.822 300 A HN 0.707 nan 8.150 nan 0.000 0.443 301 H N -0.301 118.706 119.070 -0.105 0.000 2.255 301 H HA -0.213 4.343 4.556 -0.001 0.000 0.290 301 H C 2.336 177.583 175.328 -0.133 0.000 1.087 301 H CA 2.425 58.413 56.048 -0.099 0.000 1.213 301 H CB -0.642 29.078 29.762 -0.069 0.000 1.349 301 H HN 0.422 nan 8.280 nan 0.000 0.487 302 G N -0.507 108.276 108.800 -0.029 0.000 2.422 302 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.218 302 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.218 302 G C 1.908 176.625 174.900 -0.305 0.000 1.140 302 G CA 0.921 45.950 45.100 -0.120 0.000 0.775 302 G HN 0.592 nan 8.290 nan 0.000 0.545 303 A N 0.434 123.016 122.820 -0.397 0.000 1.968 303 A HA 0.150 4.470 4.320 -0.001 0.000 0.217 303 A C 2.632 179.968 177.584 -0.414 0.000 1.169 303 A CA 1.928 53.582 52.037 -0.637 0.000 0.638 303 A CB -0.428 18.009 19.000 -0.938 0.000 0.812 303 A HN 0.274 nan 8.150 nan 0.000 0.446 304 S N -0.527 114.981 115.700 -0.320 0.000 2.368 304 S HA -0.110 4.360 4.470 -0.001 0.000 0.224 304 S C 1.923 176.370 174.600 -0.256 0.000 1.029 304 S CA 1.334 59.391 58.200 -0.239 0.000 0.988 304 S CB -0.325 62.744 63.200 -0.219 0.000 0.838 304 S HN 0.333 nan 8.310 nan 0.000 0.462 305 V N 1.320 121.044 119.914 -0.317 0.000 2.295 305 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 305 V C 2.286 178.190 176.094 -0.316 0.000 1.049 305 V CA 1.585 63.718 62.300 -0.278 0.000 1.024 305 V CB -0.629 31.047 31.823 -0.244 0.000 0.648 305 V HN 0.337 nan 8.190 nan 0.000 0.447 306 V N 0.097 119.726 119.914 -0.475 0.000 2.407 306 V HA -0.245 3.875 4.120 -0.001 0.000 0.248 306 V C 2.634 178.402 176.094 -0.543 0.000 1.055 306 V CA 1.939 63.756 62.300 -0.804 0.000 1.049 306 V CB -1.070 30.079 31.823 -1.125 0.000 0.662 306 V HN 0.568 nan 8.190 nan 0.000 0.455 307 A N -0.254 122.373 122.820 -0.322 0.000 1.877 307 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 307 A C 2.413 179.865 177.584 -0.220 0.000 1.186 307 A CA 2.470 54.380 52.037 -0.211 0.000 0.620 307 A CB -1.092 17.846 19.000 -0.103 0.000 0.822 307 A HN 0.473 nan 8.150 nan 0.000 0.443 308 T N 0.462 114.882 114.554 -0.224 0.000 2.699 308 T HA -0.141 4.209 4.350 -0.001 0.000 0.268 308 T C 1.739 176.306 174.700 -0.223 0.000 1.036 308 T CA 1.707 63.659 62.100 -0.247 0.000 1.147 308 T CB -0.439 68.277 68.868 -0.254 0.000 0.862 308 T HN 0.436 nan 8.240 nan 0.000 0.446 309 I N 0.152 120.603 120.570 -0.199 0.000 2.439 309 I HA -0.019 4.151 4.170 -0.001 0.000 0.251 309 I C 2.040 178.084 176.117 -0.121 0.000 1.139 309 I CA 0.984 62.208 61.300 -0.128 0.000 1.438 309 I CB -0.201 37.756 38.000 -0.073 0.000 1.085 309 I HN 0.198 nan 8.210 nan 0.000 0.427 310 L N 0.009 121.112 121.223 -0.200 0.000 2.375 310 L HA -0.040 4.299 4.340 -0.001 0.000 0.215 310 L C 2.479 179.281 176.870 -0.113 0.000 1.108 310 L CA 0.905 55.645 54.840 -0.167 0.000 0.830 310 L CB -0.229 41.666 42.059 -0.274 0.000 0.959 310 L HN 0.290 nan 8.230 nan 0.000 0.457 311 S N -1.907 113.715 115.700 -0.131 0.000 2.548 311 S HA -0.032 4.437 4.470 -0.001 0.000 0.215 311 S C 0.649 175.191 174.600 -0.096 0.000 0.976 311 S CA -0.358 57.777 58.200 -0.108 0.000 0.908 311 S CB -0.372 62.760 63.200 -0.114 0.000 0.781 311 S HN 0.403 nan 8.310 nan 0.000 0.519 312 N N 0.574 119.212 118.700 -0.103 0.000 2.424 312 N HA 0.333 5.073 4.740 -0.001 0.000 0.271 312 N C -0.353 175.129 175.510 -0.047 0.000 0.985 312 N CA -0.399 52.596 53.050 -0.091 0.000 0.921 312 N CB 1.359 39.768 38.487 -0.131 0.000 1.149 312 N HN -0.112 nan 8.380 nan 0.000 0.492 313 D N 2.308 122.688 120.400 -0.033 0.000 2.149 313 D HA -0.156 4.484 4.640 -0.001 0.000 0.198 313 D C 1.611 177.908 176.300 -0.004 0.000 0.990 313 D CA 1.488 55.480 54.000 -0.013 0.000 0.839 313 D CB 0.076 40.868 40.800 -0.014 0.000 0.948 313 D HN 0.641 nan 8.370 nan 0.000 0.460 314 A N 0.235 123.047 122.820 -0.012 0.000 1.840 314 A HA -0.037 4.283 4.320 -0.001 0.000 0.214 314 A C 2.193 179.781 177.584 0.006 0.000 1.198 314 A CA 0.641 52.674 52.037 -0.006 0.000 0.608 314 A CB -0.797 18.196 19.000 -0.011 0.000 0.839 314 A HN 0.166 nan 8.150 nan 0.000 0.443 315 L N -0.751 120.472 121.223 -0.000 0.000 2.081 315 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 315 L C 2.818 179.737 176.870 0.083 0.000 1.080 315 L CA 1.938 56.790 54.840 0.020 0.000 0.754 315 L CB -0.459 41.587 42.059 -0.023 0.000 0.893 315 L HN 0.513 nan 8.230 nan 0.000 0.433 316 R N 0.213 120.762 120.500 0.082 0.000 2.115 316 R HA -0.100 4.239 4.340 -0.001 0.000 0.226 316 R C 2.270 178.662 176.300 0.153 0.000 1.100 316 R CA 1.135 57.343 56.100 0.181 0.000 0.980 316 R CB -0.096 30.283 30.300 0.132 0.000 0.875 316 R HN 0.304 nan 8.270 nan 0.000 0.445 317 A N 0.803 123.656 122.820 0.054 0.000 1.929 317 A HA -0.037 4.283 4.320 -0.001 0.000 0.216 317 A C 2.039 179.601 177.584 -0.038 0.000 1.176 317 A CA 0.900 52.933 52.037 -0.006 0.000 0.628 317 A CB -0.297 18.693 19.000 -0.016 0.000 0.816 317 A HN 0.323 nan 8.150 nan 0.000 0.444 318 I N -2.194 118.374 120.570 -0.003 0.000 2.163 318 I HA -0.259 3.910 4.170 -0.001 0.000 0.240 318 I C 2.396 178.475 176.117 -0.064 0.000 1.081 318 I CA 1.620 62.905 61.300 -0.025 0.000 1.353 318 I CB -0.378 37.625 38.000 0.005 0.000 1.054 318 I HN 0.714 nan 8.210 nan 0.000 0.407 319 W N 2.390 123.605 121.300 -0.143 0.000 2.317 319 W HA -0.255 4.404 4.660 -0.000 0.000 0.318 319 W C 2.356 178.717 176.519 -0.264 0.000 1.227 319 W CA 1.790 58.996 57.345 -0.232 0.000 1.269 319 W CB -0.434 28.876 29.460 -0.250 0.000 1.155 319 W HN 0.100 nan 8.180 nan 0.000 0.484 320 E N -0.431 119.367 120.200 -0.671 0.000 2.209 320 E HA -0.305 4.045 4.350 -0.001 0.000 0.196 320 E C 1.983 178.213 176.600 -0.617 0.000 0.993 320 E CA 1.458 57.336 56.400 -0.870 0.000 0.819 320 E CB -0.265 29.161 29.700 -0.457 0.000 0.745 320 E HN 0.267 nan 8.360 nan 0.000 0.477 321 Q N 1.205 120.760 119.800 -0.408 0.000 2.020 321 Q HA -0.133 4.206 4.340 -0.001 0.000 0.198 321 Q C 1.637 177.444 176.000 -0.321 0.000 0.974 321 Q CA 1.500 57.127 55.803 -0.292 0.000 0.829 321 Q CB -0.008 28.621 28.738 -0.182 0.000 0.894 321 Q HN 0.273 nan 8.270 nan 0.000 0.433 322 E N -0.105 119.892 120.200 -0.339 0.000 2.070 322 E HA -0.224 4.126 4.350 -0.001 0.000 0.197 322 E C 1.974 178.307 176.600 -0.445 0.000 1.004 322 E CA 1.310 57.518 56.400 -0.319 0.000 0.805 322 E CB -0.310 29.233 29.700 -0.263 0.000 0.744 322 E HN 0.237 nan 8.360 nan 0.000 0.451 323 L N 1.057 121.874 121.223 -0.677 0.000 2.012 323 L HA -0.180 4.160 4.340 -0.001 0.000 0.210 323 L C 2.329 178.845 176.870 -0.590 0.000 1.073 323 L CA 1.961 56.344 54.840 -0.762 0.000 0.748 323 L CB -0.690 40.731 42.059 -1.062 0.000 0.891 323 L HN 0.042 nan 8.230 nan 0.000 0.431 324 T N -0.584 113.674 114.554 -0.495 0.000 2.803 324 T HA -0.164 4.186 4.350 -0.001 0.000 0.269 324 T C 1.429 175.986 174.700 -0.237 0.000 1.052 324 T CA 1.480 63.381 62.100 -0.331 0.000 1.136 324 T CB -0.344 68.359 68.868 -0.275 0.000 0.864 324 T HN 0.426 nan 8.240 nan 0.000 0.467 325 D N 0.779 121.038 120.400 -0.235 0.000 2.123 325 D HA 0.055 4.694 4.640 -0.001 0.000 0.200 325 D C 2.117 178.343 176.300 -0.123 0.000 0.976 325 D CA 0.833 54.748 54.000 -0.142 0.000 0.831 325 D CB -0.226 40.504 40.800 -0.118 0.000 0.974 325 D HN 0.397 nan 8.370 nan 0.000 0.469 326 M N 0.218 119.652 119.600 -0.277 0.000 2.086 326 M HA -0.131 4.348 4.480 -0.001 0.000 0.261 326 M C 2.373 178.656 176.300 -0.027 0.000 1.067 326 M CA 1.183 56.267 55.300 -0.360 0.000 1.116 326 M CB -0.208 31.951 32.600 -0.734 0.000 1.348 326 M HN -0.082 nan 8.290 nan 0.000 0.407 327 R N 0.720 121.151 120.500 -0.115 0.000 2.080 327 R HA -0.200 4.139 4.340 -0.001 0.000 0.236 327 R C 2.047 178.374 176.300 0.044 0.000 1.137 327 R CA 2.004 58.108 56.100 0.007 0.000 0.943 327 R CB -0.298 29.940 30.300 -0.104 0.000 0.846 327 R HN 0.489 nan 8.270 nan 0.000 0.431 328 Q N -0.284 119.511 119.800 -0.008 0.000 2.084 328 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 328 Q C 2.309 178.337 176.000 0.047 0.000 0.978 328 Q CA 1.348 57.158 55.803 0.011 0.000 0.844 328 Q CB -0.191 28.536 28.738 -0.019 0.000 0.898 328 Q HN 0.317 nan 8.270 nan 0.000 0.426 329 R N 0.800 121.348 120.500 0.080 0.000 2.096 329 R HA -0.130 4.210 4.340 -0.001 0.000 0.235 329 R C 2.049 178.414 176.300 0.108 0.000 1.127 329 R CA 1.047 57.212 56.100 0.109 0.000 0.968 329 R CB -0.148 30.265 30.300 0.188 0.000 0.861 329 R HN 0.284 nan 8.270 nan 0.000 0.440 330 I N 0.572 121.233 120.570 0.151 0.000 2.252 330 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 330 I C 2.210 178.364 176.117 0.063 0.000 1.102 330 I CA 1.290 62.656 61.300 0.109 0.000 1.385 330 I CB -0.243 37.851 38.000 0.158 0.000 1.064 330 I HN 0.245 nan 8.210 nan 0.000 0.414 331 Q N 0.245 120.085 119.800 0.067 0.000 2.291 331 Q HA -0.152 4.187 4.340 -0.001 0.000 0.205 331 Q C 2.220 178.246 176.000 0.043 0.000 0.970 331 Q CA 1.024 56.858 55.803 0.052 0.000 0.876 331 Q CB -0.011 28.756 28.738 0.048 0.000 0.935 331 Q HN 0.435 nan 8.270 nan 0.000 0.455 332 R N -0.664 119.860 120.500 0.040 0.000 2.127 332 R HA 0.075 4.415 4.340 -0.001 0.000 0.217 332 R C 1.959 178.277 176.300 0.030 0.000 1.074 332 R CA 0.596 56.716 56.100 0.032 0.000 0.991 332 R CB 0.197 30.514 30.300 0.028 0.000 0.895 332 R HN 0.206 nan 8.270 nan 0.000 0.450 333 M N 0.023 119.635 119.600 0.020 0.000 2.254 333 M HA -0.058 4.422 4.480 -0.001 0.000 0.265 333 M C 1.871 178.188 176.300 0.029 0.000 1.066 333 M CA 1.418 56.718 55.300 0.001 0.000 1.123 333 M CB -0.564 32.009 32.600 -0.045 0.000 1.388 333 M HN 0.079 nan 8.290 nan 0.000 0.425 334 R N 0.494 121.018 120.500 0.040 0.000 2.075 334 R HA -0.158 4.182 4.340 -0.001 0.000 0.230 334 R C 2.273 178.637 176.300 0.108 0.000 1.140 334 R CA 1.583 57.732 56.100 0.083 0.000 0.928 334 R CB -0.413 29.927 30.300 0.067 0.000 0.834 334 R HN 0.519 nan 8.270 nan 0.000 0.429 335 Q N 0.630 120.471 119.800 0.067 0.000 2.170 335 Q HA -0.182 4.158 4.340 -0.001 0.000 0.203 335 Q C 2.138 178.170 176.000 0.053 0.000 0.976 335 Q CA 1.112 56.946 55.803 0.051 0.000 0.858 335 Q CB -0.383 28.376 28.738 0.036 0.000 0.907 335 Q HN 0.265 nan 8.270 nan 0.000 0.433 336 L N 0.234 121.496 121.223 0.066 0.000 2.093 336 L HA -0.067 4.272 4.340 -0.001 0.000 0.208 336 L C 2.154 179.088 176.870 0.107 0.000 1.085 336 L CA 1.258 56.137 54.840 0.064 0.000 0.755 336 L CB -0.577 41.512 42.059 0.050 0.000 0.904 336 L HN 0.036 nan 8.230 nan 0.000 0.435 337 F N -0.059 119.852 119.950 -0.064 0.000 2.075 337 F HA -0.173 4.354 4.527 -0.000 0.000 0.297 337 F C 2.492 178.218 175.800 -0.123 0.000 1.113 337 F CA 2.080 60.019 58.000 -0.101 0.000 1.218 337 F CB -0.994 37.942 39.000 -0.107 0.000 0.984 337 F HN 0.073 nan 8.300 nan 0.000 0.472 338 V N -0.414 119.413 119.914 -0.145 0.000 2.343 338 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 338 V C 1.973 177.967 176.094 -0.167 0.000 1.051 338 V CA 2.485 64.633 62.300 -0.254 0.000 1.036 338 V CB -1.298 30.450 31.823 -0.126 0.000 0.654 338 V HN 0.495 nan 8.190 nan 0.000 0.451 339 N N 0.542 119.196 118.700 -0.076 0.000 2.007 339 N HA -0.185 4.555 4.740 -0.001 0.000 0.197 339 N C 1.881 177.351 175.510 -0.068 0.000 1.050 339 N CA 2.277 55.297 53.050 -0.049 0.000 0.856 339 N CB -0.493 37.984 38.487 -0.016 0.000 1.050 339 N HN 0.550 nan 8.380 nan 0.000 0.423 340 T N 1.198 115.716 114.554 -0.060 0.000 2.897 340 T HA -0.104 4.246 4.350 -0.001 0.000 0.271 340 T C 1.724 176.349 174.700 -0.124 0.000 1.084 340 T CA 0.634 62.698 62.100 -0.060 0.000 1.123 340 T CB -0.129 68.730 68.868 -0.016 0.000 0.865 340 T HN 0.071 nan 8.240 nan 0.000 0.496 341 L N 0.805 121.890 121.223 -0.231 0.000 2.095 341 L HA 0.097 4.437 4.340 -0.001 0.000 0.204 341 L C 2.438 179.208 176.870 -0.167 0.000 1.080 341 L CA 1.580 56.226 54.840 -0.323 0.000 0.759 341 L CB -0.675 40.993 42.059 -0.652 0.000 0.914 341 L HN 0.119 nan 8.230 nan 0.000 0.439 342 Q N -0.606 119.128 119.800 -0.111 0.000 2.389 342 Q HA -0.148 4.191 4.340 -0.001 0.000 0.204 342 Q C 2.016 177.994 176.000 -0.037 0.000 0.944 342 Q CA 1.224 56.999 55.803 -0.047 0.000 0.908 342 Q CB 0.010 28.733 28.738 -0.026 0.000 1.002 342 Q HN 0.582 nan 8.270 nan 0.000 0.493 343 E N -0.340 119.833 120.200 -0.046 0.000 2.076 343 E HA -0.135 4.215 4.350 -0.001 0.000 0.190 343 E C 1.176 177.758 176.600 -0.030 0.000 0.979 343 E CA 0.722 57.105 56.400 -0.030 0.000 0.807 343 E CB 0.103 29.787 29.700 -0.026 0.000 0.761 343 E HN 0.101 nan 8.360 nan 0.000 0.454 344 K N -1.201 119.171 120.400 -0.046 0.000 2.487 344 K HA 0.049 4.369 4.320 -0.001 0.000 0.192 344 K C 0.716 177.295 176.600 -0.035 0.000 1.027 344 K CA 0.716 56.977 56.287 -0.043 0.000 1.054 344 K CB 0.480 32.943 32.500 -0.062 0.000 0.824 344 K HN 0.338 nan 8.250 nan 0.000 0.510 345 G N -0.756 108.028 108.800 -0.027 0.000 2.255 345 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.196 345 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.196 345 G C 0.124 175.026 174.900 0.003 0.000 0.998 345 G CA -0.298 44.796 45.100 -0.010 0.000 0.656 345 G HN 0.447 nan 8.290 nan 0.000 0.490 346 A N 0.609 123.426 122.820 -0.006 0.000 2.591 346 A HA 0.150 4.470 4.320 -0.001 0.000 0.265 346 A C 1.295 178.932 177.584 0.088 0.000 0.946 346 A CA 1.638 53.709 52.037 0.058 0.000 0.928 346 A CB -0.439 18.611 19.000 0.083 0.000 0.816 346 A HN 0.729 nan 8.150 nan 0.000 0.466 347 N N 2.188 120.949 118.700 0.101 0.000 2.028 347 N HA -0.119 4.620 4.740 -0.001 0.000 0.194 347 N C 0.918 176.463 175.510 0.059 0.000 1.050 347 N CA 1.104 54.194 53.050 0.066 0.000 0.848 347 N CB -0.155 38.367 38.487 0.059 0.000 1.038 347 N HN 0.752 nan 8.380 nan 0.000 0.423 348 R N 1.114 121.652 120.500 0.063 0.000 2.828 348 R HA 0.122 4.462 4.340 -0.001 0.000 0.270 348 R C -0.620 175.665 176.300 -0.026 0.000 1.244 348 R CA -0.029 56.042 56.100 -0.049 0.000 1.143 348 R CB -0.019 30.126 30.300 -0.257 0.000 1.128 348 R HN 0.129 nan 8.270 nan 0.000 0.587 349 D N -0.559 119.769 120.400 -0.120 0.000 2.462 349 D HA 0.206 4.845 4.640 -0.001 0.000 0.245 349 D C -0.828 175.413 176.300 -0.099 0.000 1.122 349 D CA -0.416 53.570 54.000 -0.024 0.000 0.864 349 D CB 0.396 41.209 40.800 0.021 0.000 1.098 349 D HN 0.319 nan 8.370 nan 0.000 0.541 350 F N 1.674 121.572 119.950 -0.086 0.000 2.645 350 F HA 0.084 4.611 4.527 -0.001 0.000 0.300 350 F C 2.351 177.816 175.800 -0.559 0.000 1.115 350 F CA -0.162 57.616 58.000 -0.370 0.000 1.355 350 F CB 0.163 38.896 39.000 -0.444 0.000 1.026 350 F HN 0.384 nan 8.300 nan 0.000 0.536 351 S N 0.228 115.872 115.700 -0.092 0.000 2.507 351 S HA -0.227 4.243 4.470 -0.001 0.000 0.235 351 S C 1.897 176.467 174.600 -0.050 0.000 0.988 351 S CA 0.807 58.970 58.200 -0.063 0.000 0.944 351 S CB -1.213 62.004 63.200 0.028 0.000 0.762 351 S HN 0.503 nan 8.310 nan 0.000 0.526 352 F N 0.340 120.303 119.950 0.022 0.000 2.502 352 F HA 0.307 4.833 4.527 -0.001 0.000 0.298 352 F C 1.621 177.478 175.800 0.096 0.000 1.111 352 F CA -0.178 57.850 58.000 0.046 0.000 1.445 352 F CB -0.746 38.243 39.000 -0.018 0.000 1.081 352 F HN 0.153 nan 8.300 nan 0.000 0.558 353 I N 0.835 121.079 120.570 -0.543 0.000 2.361 353 I HA -0.257 3.913 4.170 -0.001 0.000 0.251 353 I C 2.276 178.399 176.117 0.011 0.000 1.133 353 I CA 1.294 62.458 61.300 -0.227 0.000 1.413 353 I CB -0.390 37.466 38.000 -0.240 0.000 1.073 353 I HN 0.148 nan 8.210 nan 0.000 0.424 354 I N 0.860 121.433 120.570 0.005 0.000 2.394 354 I HA -0.279 3.891 4.170 -0.001 0.000 0.251 354 I C 2.313 178.483 176.117 0.089 0.000 1.136 354 I CA 1.222 62.553 61.300 0.052 0.000 1.425 354 I CB -0.311 37.712 38.000 0.040 0.000 1.079 354 I HN 0.254 nan 8.210 nan 0.000 0.425 355 K N 0.911 121.386 120.400 0.124 0.000 2.487 355 K HA 0.020 4.340 4.320 -0.001 0.000 0.192 355 K C 0.258 176.960 176.600 0.169 0.000 1.027 355 K CA 0.255 56.631 56.287 0.148 0.000 1.054 355 K CB -0.053 32.547 32.500 0.167 0.000 0.824 355 K HN 0.378 nan 8.250 nan 0.000 0.510 356 Q N 1.357 121.264 119.800 0.177 0.000 2.227 356 Q HA 0.264 4.603 4.340 -0.001 0.000 0.245 356 Q C -1.010 175.071 176.000 0.135 0.000 0.926 356 Q CA -0.524 55.389 55.803 0.183 0.000 0.895 356 Q CB 1.330 30.201 28.738 0.221 0.000 1.230 356 Q HN 0.229 nan 8.270 nan 0.000 0.450 357 N N -0.149 118.628 118.700 0.128 0.000 2.314 357 N HA 0.708 5.447 4.740 -0.001 0.000 0.304 357 N C -0.445 175.085 175.510 0.033 0.000 1.073 357 N CA -0.361 52.749 53.050 0.101 0.000 0.822 357 N CB 1.874 40.444 38.487 0.138 0.000 1.280 357 N HN 0.788 nan 8.380 nan 0.000 0.489 358 G N 0.386 109.181 108.800 -0.009 0.000 2.409 358 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.421 358 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.421 358 G C 0.294 175.019 174.900 -0.293 0.000 1.259 358 G CA -0.674 44.311 45.100 -0.192 0.000 1.011 358 G HN 0.469 nan 8.290 nan 0.000 0.497 359 M N -0.334 118.872 119.600 -0.655 0.000 2.476 359 M HA 0.249 4.729 4.480 -0.001 0.000 0.262 359 M C 0.057 175.974 176.300 -0.638 0.000 1.079 359 M CA 1.326 56.212 55.300 -0.690 0.000 1.104 359 M CB -0.134 31.893 32.600 -0.955 0.000 1.409 359 M HN 0.263 nan 8.290 nan 0.000 0.467 360 F N -0.654 119.222 119.950 -0.124 0.000 2.551 360 F HA 0.494 5.021 4.527 -0.001 0.000 0.316 360 F C 0.169 175.983 175.800 0.024 0.000 1.089 360 F CA -1.618 56.353 58.000 -0.048 0.000 0.915 360 F CB 1.157 40.130 39.000 -0.044 0.000 1.186 360 F HN -0.205 nan 8.300 nan 0.000 0.456 361 S N 1.107 117.002 115.700 0.324 0.000 2.503 361 S HA 0.677 5.147 4.470 -0.001 0.000 0.301 361 S C -1.337 173.523 174.600 0.434 0.000 1.087 361 S CA -0.604 57.790 58.200 0.323 0.000 1.042 361 S CB 1.678 65.035 63.200 0.261 0.000 1.043 361 S HN 0.412 nan 8.310 nan 0.000 0.489 362 F N 3.555 123.653 119.950 0.247 0.000 2.335 362 F HA 0.368 4.894 4.527 -0.001 0.000 0.365 362 F C 1.704 177.750 175.800 0.411 0.000 1.122 362 F CA -1.607 56.525 58.000 0.220 0.000 1.151 362 F CB 0.848 39.883 39.000 0.057 0.000 1.282 362 F HN 0.879 nan 8.300 nan 0.000 0.513 363 S N 2.817 118.739 115.700 0.370 0.000 2.402 363 S HA 0.023 4.493 4.470 -0.001 0.000 0.229 363 S C 1.627 176.471 174.600 0.407 0.000 1.021 363 S CA 0.727 59.191 58.200 0.440 0.000 0.974 363 S CB -0.724 62.687 63.200 0.351 0.000 0.800 363 S HN 1.454 nan 8.310 nan 0.000 0.484 364 G N 0.483 109.362 108.800 0.132 0.000 2.182 364 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.248 364 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.248 364 G C -0.415 174.533 174.900 0.081 0.000 1.042 364 G CA 0.180 45.326 45.100 0.076 0.000 0.775 364 G HN 0.528 nan 8.290 nan 0.000 0.501 365 L N 0.969 122.232 121.223 0.068 0.000 2.309 365 L HA 0.655 4.995 4.340 -0.001 0.000 0.282 365 L C 1.096 177.973 176.870 0.011 0.000 1.036 365 L CA -0.142 54.746 54.840 0.080 0.000 0.806 365 L CB 1.560 43.686 42.059 0.112 0.000 1.220 365 L HN 0.137 nan 8.230 nan 0.000 0.429 366 T N 3.607 118.173 114.554 0.020 0.000 2.926 366 T HA 0.068 4.417 4.350 -0.001 0.000 0.307 366 T C 1.343 176.047 174.700 0.007 0.000 1.059 366 T CA -0.400 61.704 62.100 0.006 0.000 1.122 366 T CB 0.549 69.427 68.868 0.016 0.000 0.972 366 T HN 0.636 nan 8.240 nan 0.000 0.545 367 K N 2.455 122.856 120.400 0.001 0.000 2.281 367 K HA -0.166 4.153 4.320 -0.001 0.000 0.203 367 K C 1.062 177.667 176.600 0.008 0.000 1.046 367 K CA 1.576 57.865 56.287 0.003 0.000 0.938 367 K CB -0.015 32.486 32.500 0.002 0.000 0.737 367 K HN 0.509 nan 8.250 nan 0.000 0.458 368 E N 1.180 121.387 120.200 0.012 0.000 2.190 368 E HA -0.011 4.338 4.350 -0.001 0.000 0.191 368 E C 2.121 178.738 176.600 0.028 0.000 0.978 368 E CA 0.721 57.130 56.400 0.016 0.000 0.839 368 E CB 0.093 29.802 29.700 0.016 0.000 0.787 368 E HN 0.411 nan 8.360 nan 0.000 0.473 369 Q N 0.055 119.875 119.800 0.034 0.000 2.049 369 Q HA -0.102 4.238 4.340 -0.001 0.000 0.198 369 Q C 2.426 178.452 176.000 0.044 0.000 0.971 369 Q CA 1.651 57.483 55.803 0.048 0.000 0.833 369 Q CB -0.122 28.649 28.738 0.055 0.000 0.896 369 Q HN 0.369 nan 8.270 nan 0.000 0.434 370 V N -1.019 118.913 119.914 0.030 0.000 2.515 370 V HA -0.172 3.948 4.120 -0.001 0.000 0.250 370 V C 1.934 178.027 176.094 -0.001 0.000 1.058 370 V CA 1.263 63.575 62.300 0.020 0.000 1.064 370 V CB -0.482 31.351 31.823 0.017 0.000 0.675 370 V HN 0.320 nan 8.190 nan 0.000 0.461 371 L N 0.170 121.392 121.223 -0.001 0.000 2.141 371 L HA -0.036 4.303 4.340 -0.001 0.000 0.209 371 L C 2.795 179.661 176.870 -0.006 0.000 1.094 371 L CA 2.272 57.101 54.840 -0.019 0.000 0.763 371 L CB -0.898 41.156 42.059 -0.009 0.000 0.908 371 L HN 0.447 nan 8.230 nan 0.000 0.437 372 R N -0.523 119.998 120.500 0.034 0.000 2.057 372 R HA -0.127 4.213 4.340 -0.001 0.000 0.229 372 R C 2.433 178.827 176.300 0.156 0.000 1.136 372 R CA 0.992 57.138 56.100 0.077 0.000 0.952 372 R CB -0.141 30.222 30.300 0.104 0.000 0.848 372 R HN 0.276 nan 8.270 nan 0.000 0.430 373 L N 0.616 121.935 121.223 0.160 0.000 2.021 373 L HA -0.284 4.056 4.340 -0.001 0.000 0.215 373 L C 2.953 179.913 176.870 0.149 0.000 1.074 373 L CA 1.784 56.744 54.840 0.200 0.000 0.760 373 L CB -0.578 41.512 42.059 0.051 0.000 0.889 373 L HN 0.304 nan 8.230 nan 0.000 0.433 374 R N 0.228 120.707 120.500 -0.035 0.000 2.073 374 R HA -0.222 4.118 4.340 -0.001 0.000 0.234 374 R C 2.146 178.355 176.300 -0.152 0.000 1.134 374 R CA 2.023 57.973 56.100 -0.251 0.000 0.952 374 R CB -0.089 29.932 30.300 -0.466 0.000 0.850 374 R HN 0.292 nan 8.270 nan 0.000 0.433 375 E N 0.141 120.295 120.200 -0.077 0.000 2.072 375 E HA -0.118 4.232 4.350 -0.001 0.000 0.190 375 E C 1.802 178.361 176.600 -0.067 0.000 0.982 375 E CA 1.266 57.629 56.400 -0.061 0.000 0.803 375 E CB 0.138 29.809 29.700 -0.050 0.000 0.755 375 E HN 0.355 nan 8.360 nan 0.000 0.453 376 E N -1.397 118.754 120.200 -0.081 0.000 2.140 376 E HA -0.034 4.315 4.350 -0.001 0.000 0.191 376 E C 0.477 176.821 176.600 -0.426 0.000 0.973 376 E CA 0.512 56.717 56.400 -0.326 0.000 0.829 376 E CB 0.234 29.603 29.700 -0.551 0.000 0.781 376 E HN 0.259 nan 8.360 nan 0.000 0.466 377 F N -1.067 118.881 119.950 -0.005 0.000 2.688 377 F HA 0.340 4.866 4.527 -0.001 0.000 0.310 377 F C 1.292 177.120 175.800 0.046 0.000 1.098 377 F CA 0.251 58.262 58.000 0.018 0.000 1.228 377 F CB 1.140 40.154 39.000 0.024 0.000 1.042 377 F HN 0.023 nan 8.300 nan 0.000 0.557 378 G N 1.020 109.938 108.800 0.197 0.000 2.200 378 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.267 378 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.267 378 G C 0.144 175.286 174.900 0.404 0.000 0.993 378 G CA 0.431 45.687 45.100 0.261 0.000 0.701 378 G HN 0.209 nan 8.290 nan 0.000 0.524 379 V N 0.767 120.846 119.914 0.274 0.000 2.432 379 V HA 0.406 4.526 4.120 -0.001 0.000 0.271 379 V C -0.024 176.194 176.094 0.207 0.000 1.046 379 V CA -0.597 61.869 62.300 0.277 0.000 0.945 379 V CB 0.662 32.568 31.823 0.138 0.000 0.992 379 V HN 0.218 nan 8.190 nan 0.000 0.471 380 Y N 3.980 124.388 120.300 0.181 0.000 2.504 380 Y HA 0.663 5.212 4.550 -0.000 0.000 0.339 380 Y C 0.558 176.502 175.900 0.073 0.000 0.974 380 Y CA -0.361 57.829 58.100 0.150 0.000 1.232 380 Y CB 1.071 39.672 38.460 0.236 0.000 1.108 380 Y HN 0.724 nan 8.280 nan 0.000 0.509 381 A N 2.385 125.276 122.820 0.118 0.000 2.313 381 A HA 0.822 5.142 4.320 -0.001 0.000 0.323 381 A C -0.757 176.870 177.584 0.072 0.000 1.133 381 A CA -0.764 51.326 52.037 0.088 0.000 0.847 381 A CB 0.814 19.854 19.000 0.067 0.000 1.308 381 A HN 0.393 nan 8.150 nan 0.000 0.475 382 V N 0.906 120.855 119.914 0.059 0.000 2.834 382 V HA 0.346 4.465 4.120 -0.001 0.000 0.301 382 V C 1.829 177.946 176.094 0.038 0.000 1.066 382 V CA 0.612 62.939 62.300 0.045 0.000 1.052 382 V CB 1.185 33.022 31.823 0.023 0.000 1.021 382 V HN 1.229 nan 8.190 nan 0.000 0.480 383 A N 3.208 126.045 122.820 0.028 0.000 1.971 383 A HA -0.197 4.123 4.320 -0.001 0.000 0.222 383 A C 2.200 179.796 177.584 0.021 0.000 1.182 383 A CA 2.513 54.562 52.037 0.019 0.000 0.649 383 A CB -0.726 18.282 19.000 0.014 0.000 0.818 383 A HN 1.065 nan 8.150 nan 0.000 0.458 384 S N -1.980 113.748 115.700 0.047 0.000 2.515 384 S HA 0.324 4.794 4.470 -0.001 0.000 0.231 384 S C 1.479 176.037 174.600 -0.069 0.000 0.987 384 S CA 1.053 59.280 58.200 0.044 0.000 0.936 384 S CB -0.386 62.954 63.200 0.234 0.000 0.766 384 S HN 1.994 nan 8.310 nan 0.000 0.528 385 G N 1.396 110.197 108.800 0.001 0.000 2.131 385 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.223 385 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.223 385 G C -0.004 174.948 174.900 0.087 0.000 0.990 385 G CA -0.113 44.985 45.100 -0.003 0.000 0.671 385 G HN 0.632 nan 8.290 nan 0.000 0.521 386 R N 0.476 121.081 120.500 0.176 0.000 2.267 386 R HA 0.514 4.853 4.340 -0.001 0.000 0.319 386 R C 0.423 176.799 176.300 0.126 0.000 1.067 386 R CA 0.182 56.425 56.100 0.238 0.000 0.936 386 R CB 0.727 31.087 30.300 0.101 0.000 1.006 386 R HN 0.596 nan 8.270 nan 0.000 0.452 387 V N 1.745 121.760 119.914 0.168 0.000 2.513 387 V HA 0.360 4.480 4.120 -0.001 0.000 0.299 387 V C -0.170 176.033 176.094 0.181 0.000 1.035 387 V CA -1.035 61.333 62.300 0.113 0.000 0.889 387 V CB 1.673 33.512 31.823 0.028 0.000 0.988 387 V HN 0.821 nan 8.190 nan 0.000 0.440 388 N N 2.843 121.640 118.700 0.163 0.000 2.415 388 N HA 0.248 4.988 4.740 -0.001 0.000 0.250 388 N C 0.849 176.318 175.510 -0.068 0.000 1.127 388 N CA -0.402 52.737 53.050 0.148 0.000 0.945 388 N CB 1.462 40.023 38.487 0.122 0.000 1.196 388 N HN 0.661 nan 8.380 nan 0.000 0.499 389 V N 3.403 123.249 119.914 -0.113 0.000 2.594 389 V HA -0.202 3.918 4.120 -0.001 0.000 0.253 389 V C 2.125 178.118 176.094 -0.169 0.000 1.069 389 V CA 2.007 64.189 62.300 -0.196 0.000 1.082 389 V CB -0.559 31.179 31.823 -0.142 0.000 0.680 389 V HN 0.803 nan 8.190 nan 0.000 0.469 390 A N 0.216 122.945 122.820 -0.151 0.000 2.167 390 A HA 0.150 4.470 4.320 -0.001 0.000 0.214 390 A C 2.159 179.594 177.584 -0.248 0.000 1.151 390 A CA 1.146 53.082 52.037 -0.169 0.000 0.735 390 A CB -0.499 18.447 19.000 -0.090 0.000 0.802 390 A HN 0.531 nan 8.150 nan 0.000 0.467 391 G N -1.127 107.558 108.800 -0.193 0.000 3.042 391 G HA2 0.316 4.276 3.960 -0.001 0.000 0.212 391 G HA3 0.316 4.276 3.960 -0.001 0.000 0.212 391 G C 0.528 175.326 174.900 -0.170 0.000 1.166 391 G CA -0.263 44.726 45.100 -0.185 0.000 0.767 391 G HN 0.440 nan 8.290 nan 0.000 0.546 392 M N 1.871 121.362 119.600 -0.180 0.000 2.233 392 M HA 0.417 4.897 4.480 -0.001 0.000 0.355 392 M C 0.006 176.230 176.300 -0.125 0.000 1.191 392 M CA -0.231 54.972 55.300 -0.160 0.000 1.101 392 M CB 1.883 34.352 32.600 -0.220 0.000 1.592 392 M HN 0.082 nan 8.290 nan 0.000 0.461 393 T N -1.406 113.096 114.554 -0.087 0.000 2.906 393 T HA 0.517 4.867 4.350 -0.001 0.000 0.295 393 T C -2.325 172.354 174.700 -0.035 0.000 1.075 393 T CA -1.736 60.326 62.100 -0.063 0.000 1.005 393 T CB 1.781 70.614 68.868 -0.059 0.000 1.136 393 T HN 0.405 nan 8.240 nan 0.000 0.498 394 P HA -0.042 nan 4.420 nan 0.000 0.223 394 P C 0.528 177.826 177.300 -0.002 0.000 1.144 394 P CA 0.970 64.066 63.100 -0.006 0.000 0.783 394 P CB 0.146 31.844 31.700 -0.002 0.000 0.771 395 D N -0.221 120.176 120.400 -0.005 0.000 2.305 395 D HA -0.051 4.589 4.640 -0.001 0.000 0.206 395 D C 1.295 177.598 176.300 0.005 0.000 0.974 395 D CA 0.808 54.808 54.000 0.001 0.000 0.871 395 D CB -0.165 40.636 40.800 0.000 0.000 0.947 395 D HN 0.360 nan 8.370 nan 0.000 0.516 396 N N 0.017 118.716 118.700 -0.001 0.000 2.205 396 N HA -0.008 4.731 4.740 -0.001 0.000 0.201 396 N C 1.381 176.893 175.510 0.004 0.000 1.128 396 N CA -0.010 53.044 53.050 0.006 0.000 0.867 396 N CB -0.104 38.387 38.487 0.007 0.000 0.996 396 N HN -0.062 nan 8.380 nan 0.000 0.503 397 M N 0.539 120.141 119.600 0.004 0.000 2.229 397 M HA 0.207 4.686 4.480 -0.001 0.000 0.264 397 M C 1.740 178.059 176.300 0.032 0.000 1.063 397 M CA 1.190 56.504 55.300 0.022 0.000 1.114 397 M CB -0.200 32.418 32.600 0.030 0.000 1.387 397 M HN 0.292 nan 8.290 nan 0.000 0.420 398 A N 0.797 123.627 122.820 0.018 0.000 1.855 398 A HA 0.052 4.371 4.320 -0.001 0.000 0.213 398 A C -0.322 177.264 177.584 0.005 0.000 1.195 398 A CA 1.062 53.105 52.037 0.010 0.000 0.610 398 A CB -2.122 16.884 19.000 0.009 0.000 0.837 398 A HN 0.461 nan 8.150 nan 0.000 0.444 399 P HA -0.139 nan 4.420 nan 0.000 0.218 399 P C 1.659 178.952 177.300 -0.010 0.000 1.149 399 P CA 1.038 64.148 63.100 0.017 0.000 0.817 399 P CB -0.142 31.583 31.700 0.041 0.000 0.785 400 L N 0.616 121.839 121.223 -0.000 0.000 1.988 400 L HA -0.104 4.236 4.340 -0.001 0.000 0.207 400 L C 2.292 179.142 176.870 -0.033 0.000 1.071 400 L CA 2.059 56.895 54.840 -0.007 0.000 0.744 400 L CB -1.466 40.605 42.059 0.021 0.000 0.893 400 L HN -0.072 nan 8.230 nan 0.000 0.433 401 C N 0.088 119.386 119.300 -0.002 0.000 2.422 401 C HA -0.074 4.385 4.460 -0.001 0.000 0.286 401 C C 2.480 177.395 174.990 -0.126 0.000 1.412 401 C CA 0.722 59.700 59.018 -0.067 0.000 1.786 401 C CB -1.391 26.306 27.740 -0.071 0.000 1.835 401 C HN 0.603 nan 8.230 nan 0.000 0.533 402 E N 0.772 120.901 120.200 -0.117 0.000 2.190 402 E HA 0.010 4.360 4.350 -0.001 0.000 0.191 402 E C 2.403 178.831 176.600 -0.287 0.000 0.978 402 E CA 0.849 57.172 56.400 -0.128 0.000 0.839 402 E CB -0.129 29.539 29.700 -0.054 0.000 0.787 402 E HN 0.641 nan 8.360 nan 0.000 0.473 403 A N 1.586 124.136 122.820 -0.450 0.000 1.855 403 A HA -0.164 4.155 4.320 -0.001 0.000 0.215 403 A C 2.170 179.324 177.584 -0.718 0.000 1.191 403 A CA 1.031 52.408 52.037 -1.101 0.000 0.613 403 A CB -0.671 17.785 19.000 -0.907 0.000 0.829 403 A HN 0.111 nan 8.150 nan 0.000 0.442 404 I N -0.131 120.224 120.570 -0.359 0.000 2.194 404 I HA -0.195 3.975 4.170 -0.001 0.000 0.246 404 I C 1.172 177.197 176.117 -0.154 0.000 1.093 404 I CA 0.568 61.745 61.300 -0.204 0.000 1.355 404 I CB -0.487 37.422 38.000 -0.153 0.000 1.046 404 I HN 0.097 nan 8.210 nan 0.000 0.413 408 V N -1.362 118.574 119.914 0.036 0.000 3.477 408 V HA 0.539 4.658 4.120 -0.001 0.000 0.297 408 V C 0.490 176.623 176.094 0.064 0.000 1.433 408 V CA -0.076 62.270 62.300 0.077 0.000 1.052 408 V CB -0.510 31.366 31.823 0.089 0.000 0.895 408 V HN 0.296 nan 8.190 nan 0.000 0.438 409 L N 0.000 121.258 121.223 0.059 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 409 L CA 0.000 54.884 54.840 0.073 0.000 0.813 409 L CB 0.000 42.119 42.059 0.099 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502