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 1ahx_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGLYYDET GKIPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKLYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSSPPAHGAS 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 0.000 176.253 176.300 -0.079 0.000 1.140 5 M CA 0.000 55.123 55.300 -0.296 0.000 0.988 5 M CB 0.000 32.219 32.600 -0.636 0.000 1.302 6 F N 1.066 121.015 119.950 -0.002 0.000 2.727 6 F HA 0.379 4.905 4.527 -0.002 0.000 0.302 6 F C 1.480 177.279 175.800 -0.002 0.000 1.097 6 F CA 0.288 58.287 58.000 -0.002 0.000 1.330 6 F CB -0.724 38.275 39.000 -0.002 0.000 1.084 6 F HN 0.152 nan 8.300 nan 0.000 0.578 7 E N 1.078 121.358 120.200 0.134 0.000 2.114 7 E HA -0.248 4.101 4.350 -0.001 0.000 0.199 7 E C 1.520 178.160 176.600 0.067 0.000 1.008 7 E CA 1.827 58.273 56.400 0.076 0.000 0.810 7 E CB -0.337 29.382 29.700 0.031 0.000 0.739 7 E HN 0.373 nan 8.360 nan 0.000 0.456 8 N N 0.527 119.268 118.700 0.067 0.000 2.270 8 N HA 0.024 4.763 4.740 -0.001 0.000 0.198 8 N C -0.025 175.514 175.510 0.048 0.000 1.117 8 N CA 0.008 53.086 53.050 0.048 0.000 0.845 8 N CB -0.114 38.395 38.487 0.037 0.000 0.980 8 N HN 0.104 nan 8.380 nan 0.000 0.486 9 I N 1.666 122.275 120.570 0.065 0.000 2.683 9 I HA -0.063 4.106 4.170 -0.001 0.000 0.286 9 I C 0.881 177.008 176.117 0.017 0.000 1.175 9 I CA 0.174 61.496 61.300 0.038 0.000 1.429 9 I CB 0.260 38.275 38.000 0.024 0.000 1.371 9 I HN 0.106 nan 8.210 nan 0.000 0.569 10 T N 4.385 118.943 114.554 0.006 0.000 2.856 10 T HA 0.555 4.904 4.350 -0.001 0.000 0.292 10 T C 0.158 174.852 174.700 -0.010 0.000 0.980 10 T CA -0.857 61.242 62.100 -0.000 0.000 1.091 10 T CB 1.244 70.111 68.868 -0.001 0.000 0.936 10 T HN 0.697 nan 8.240 nan 0.000 0.503 11 A N 3.176 125.990 122.820 -0.010 0.000 2.511 11 A HA 0.599 4.919 4.320 -0.001 0.000 0.242 11 A C 0.874 178.447 177.584 -0.018 0.000 1.069 11 A CA -0.182 51.845 52.037 -0.016 0.000 0.763 11 A CB -0.597 18.396 19.000 -0.012 0.000 1.001 11 A HN 1.445 nan 8.150 nan 0.000 0.498 12 A N 3.710 126.516 122.820 -0.024 0.000 2.316 12 A HA 0.695 5.014 4.320 -0.001 0.000 0.284 12 A C -1.789 175.781 177.584 -0.024 0.000 1.115 12 A CA -1.285 50.737 52.037 -0.026 0.000 0.812 12 A CB -0.376 18.605 19.000 -0.032 0.000 1.064 12 A HN 0.797 nan 8.150 nan 0.000 0.489 13 P HA 0.492 nan 4.420 nan 0.000 0.275 13 P C -0.129 177.154 177.300 -0.028 0.000 1.228 13 P CA -0.162 62.924 63.100 -0.023 0.000 0.786 13 P CB 0.960 32.646 31.700 -0.024 0.000 0.927 14 A N 1.595 124.401 122.820 -0.023 0.000 2.346 14 A HA 0.151 4.471 4.320 -0.001 0.000 0.252 14 A C 0.403 177.964 177.584 -0.038 0.000 1.089 14 A CA -0.443 51.578 52.037 -0.026 0.000 0.797 14 A CB -0.124 18.869 19.000 -0.012 0.000 1.047 14 A HN 0.679 nan 8.150 nan 0.000 0.494 15 D N 1.070 121.442 120.400 -0.047 0.000 2.434 15 D HA 0.079 4.718 4.640 -0.001 0.000 0.252 15 D C -1.352 174.914 176.300 -0.058 0.000 1.185 15 D CA -1.298 52.659 54.000 -0.072 0.000 0.886 15 D CB 0.963 41.717 40.800 -0.078 0.000 1.148 15 D HN 0.143 nan 8.370 nan 0.000 0.483 16 P HA -0.143 nan 4.420 nan 0.000 0.216 16 P C 1.544 178.822 177.300 -0.038 0.000 1.150 16 P CA 1.131 64.198 63.100 -0.055 0.000 0.843 16 P CB 0.388 32.040 31.700 -0.080 0.000 0.787 17 I N -1.844 118.686 120.570 -0.067 0.000 2.499 17 I HA -0.086 4.083 4.170 -0.001 0.000 0.243 17 I C 1.987 178.103 176.117 -0.003 0.000 1.085 17 I CA 0.574 61.855 61.300 -0.032 0.000 1.422 17 I CB -0.634 37.337 38.000 -0.049 0.000 1.165 17 I HN -0.223 nan 8.210 nan 0.000 0.440 18 L N 0.950 122.160 121.223 -0.021 0.000 2.275 18 L HA -0.022 4.318 4.340 -0.001 0.000 0.215 18 L C 2.447 179.323 176.870 0.010 0.000 1.119 18 L CA 1.527 56.365 54.840 -0.005 0.000 0.790 18 L CB -1.839 40.212 42.059 -0.013 0.000 0.919 18 L HN 0.244 nan 8.230 nan 0.000 0.443 19 G N -1.256 107.550 108.800 0.010 0.000 2.448 19 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.218 19 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.218 19 G C 1.689 176.631 174.900 0.069 0.000 1.135 19 G CA 0.089 45.206 45.100 0.027 0.000 0.784 19 G HN 0.300 nan 8.290 nan 0.000 0.543 20 L N 0.420 121.696 121.223 0.089 0.000 2.141 20 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 20 L C 3.313 180.290 176.870 0.179 0.000 1.094 20 L CA 1.001 55.945 54.840 0.174 0.000 0.763 20 L CB -0.304 41.856 42.059 0.168 0.000 0.908 20 L HN 0.351 nan 8.230 nan 0.000 0.437 21 A N -0.208 122.667 122.820 0.093 0.000 1.902 21 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 21 A C 1.885 179.531 177.584 0.104 0.000 1.181 21 A CA 1.876 53.955 52.037 0.070 0.000 0.623 21 A CB -0.460 18.553 19.000 0.021 0.000 0.818 21 A HN 0.360 nan 8.150 nan 0.000 0.443 22 D N -0.086 120.362 120.400 0.080 0.000 2.092 22 D HA -0.147 4.492 4.640 -0.001 0.000 0.193 22 D C 1.905 178.254 176.300 0.081 0.000 0.994 22 D CA 1.352 55.391 54.000 0.065 0.000 0.828 22 D CB -0.433 40.396 40.800 0.049 0.000 0.963 22 D HN 0.339 nan 8.370 nan 0.000 0.450 23 L N -0.063 121.236 121.223 0.126 0.000 2.042 23 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 23 L C 2.350 179.288 176.870 0.113 0.000 1.076 23 L CA 0.986 55.922 54.840 0.161 0.000 0.749 23 L CB -0.459 41.773 42.059 0.288 0.000 0.893 23 L HN -0.023 nan 8.230 nan 0.000 0.432 24 F N 0.105 119.996 119.950 -0.098 0.000 2.091 24 F HA -0.268 4.258 4.527 -0.001 0.000 0.299 24 F C 2.657 178.331 175.800 -0.210 0.000 1.103 24 F CA 1.517 59.258 58.000 -0.432 0.000 1.228 24 F CB -0.136 38.534 39.000 -0.550 0.000 0.984 24 F HN -0.050 nan 8.300 nan 0.000 0.477 25 R N 0.045 120.561 120.500 0.026 0.000 2.096 25 R HA -0.084 4.255 4.340 -0.001 0.000 0.235 25 R C 2.202 178.467 176.300 -0.059 0.000 1.127 25 R CA 1.285 57.385 56.100 0.000 0.000 0.968 25 R CB -1.320 29.002 30.300 0.036 0.000 0.861 25 R HN 0.373 nan 8.270 nan 0.000 0.440 26 A N 0.970 123.761 122.820 -0.047 0.000 2.169 26 A HA -0.046 4.273 4.320 -0.001 0.000 0.212 26 A C 0.572 178.114 177.584 -0.070 0.000 1.153 26 A CA -0.079 51.934 52.037 -0.042 0.000 0.756 26 A CB -0.082 18.913 19.000 -0.008 0.000 0.813 26 A HN 0.082 nan 8.150 nan 0.000 0.471 27 D N 0.779 121.097 120.400 -0.136 0.000 2.390 27 D HA 0.170 4.809 4.640 -0.001 0.000 0.249 27 D C 0.317 176.522 176.300 -0.158 0.000 1.144 27 D CA 0.207 54.124 54.000 -0.139 0.000 0.880 27 D CB 0.752 41.434 40.800 -0.198 0.000 1.182 27 D HN 0.506 nan 8.370 nan 0.000 0.451 28 E N 2.167 122.310 120.200 -0.094 0.000 2.538 28 E HA 0.124 4.473 4.350 -0.001 0.000 0.207 28 E C 0.034 176.597 176.600 -0.063 0.000 1.002 28 E CA -0.522 55.830 56.400 -0.080 0.000 0.952 28 E CB 0.524 30.194 29.700 -0.050 0.000 1.031 28 E HN 0.173 nan 8.360 nan 0.000 0.476 29 R N 2.328 122.791 120.500 -0.061 0.000 2.449 29 R HA 0.061 4.400 4.340 -0.001 0.000 0.296 29 R C -1.681 174.598 176.300 -0.035 0.000 1.047 29 R CA -1.332 54.748 56.100 -0.033 0.000 1.018 29 R CB -0.180 30.112 30.300 -0.014 0.000 0.962 29 R HN -0.006 nan 8.270 nan 0.000 0.428 30 P HA -0.200 nan 4.420 nan 0.000 0.218 30 P C 0.926 178.232 177.300 0.010 0.000 1.165 30 P CA 1.713 64.811 63.100 -0.003 0.000 0.922 30 P CB 0.048 31.752 31.700 0.007 0.000 0.794 31 G N -0.342 108.475 108.800 0.028 0.000 3.678 31 G HA2 0.168 4.127 3.960 -0.001 0.000 0.287 31 G HA3 0.168 4.127 3.960 -0.001 0.000 0.287 31 G C -0.153 174.792 174.900 0.076 0.000 1.280 31 G CA -0.463 44.666 45.100 0.048 0.000 1.118 31 G HN 0.346 nan 8.290 nan 0.000 0.563 32 K N 0.349 120.782 120.400 0.054 0.000 2.469 32 K HA 0.343 4.663 4.320 -0.001 0.000 0.274 32 K C -0.224 176.541 176.600 0.275 0.000 0.983 32 K CA 0.316 56.668 56.287 0.108 0.000 0.974 32 K CB 1.057 33.452 32.500 -0.176 0.000 0.913 32 K HN 0.020 nan 8.250 nan 0.000 0.493 33 I N 1.569 122.377 120.570 0.397 0.000 2.498 33 I HA 0.166 4.335 4.170 -0.001 0.000 0.290 33 I C -0.883 175.404 176.117 0.284 0.000 1.032 33 I CA -0.964 60.499 61.300 0.271 0.000 1.073 33 I CB 1.803 39.871 38.000 0.112 0.000 1.251 33 I HN 0.684 nan 8.210 nan 0.000 0.426 34 N N 7.048 125.634 118.700 -0.191 0.000 2.527 34 N HA 0.406 5.145 4.740 -0.001 0.000 0.236 34 N C -0.338 174.961 175.510 -0.352 0.000 0.999 34 N CA -0.331 52.369 53.050 -0.584 0.000 0.935 34 N CB 0.734 38.412 38.487 -1.349 0.000 1.132 34 N HN 0.595 nan 8.380 nan 0.000 0.511 35 L N 1.983 123.125 121.223 -0.135 0.000 2.965 35 L HA 0.451 4.791 4.340 -0.001 0.000 0.254 35 L C 1.557 178.436 176.870 0.016 0.000 1.220 35 L CA -0.474 54.307 54.840 -0.098 0.000 1.023 35 L CB 0.461 42.464 42.059 -0.093 0.000 1.355 35 L HN 0.483 nan 8.230 nan 0.000 0.545 36 G N 0.724 109.531 108.800 0.010 0.000 2.832 36 G HA2 0.071 4.030 3.960 -0.001 0.000 0.187 36 G HA3 0.071 4.030 3.960 -0.001 0.000 0.187 36 G C 0.482 175.451 174.900 0.114 0.000 1.817 36 G CA -0.425 44.717 45.100 0.070 0.000 0.896 36 G HN 0.126 nan 8.290 nan 0.000 0.453 37 I N 2.012 122.631 120.570 0.081 0.000 2.948 37 I HA 0.172 4.341 4.170 -0.001 0.000 0.303 37 I C 1.282 177.526 176.117 0.213 0.000 1.224 37 I CA 0.262 61.634 61.300 0.121 0.000 1.442 37 I CB 0.655 38.676 38.000 0.035 0.000 1.328 37 I HN 0.253 nan 8.210 nan 0.000 0.578 38 G N 8.360 117.366 108.800 0.344 0.000 3.003 38 G HA2 0.338 4.297 3.960 -0.001 0.000 0.266 38 G HA3 0.338 4.297 3.960 -0.001 0.000 0.266 38 G C -0.452 174.512 174.900 0.106 0.000 0.755 38 G CA -0.394 44.931 45.100 0.374 0.000 2.061 38 G HN 0.280 nan 8.290 nan 0.000 0.599 39 L N 0.780 122.010 121.223 0.013 0.000 2.334 39 L HA 0.381 4.720 4.340 -0.001 0.000 0.276 39 L C -0.218 176.685 176.870 0.055 0.000 1.014 39 L CA -2.176 52.547 54.840 -0.195 0.000 0.815 39 L CB 1.395 43.158 42.059 -0.494 0.000 1.268 39 L HN 0.419 nan 8.230 nan 0.000 0.428 40 Y N 2.748 123.096 120.300 0.081 0.000 2.393 40 Y HA 0.377 4.926 4.550 -0.001 0.000 0.338 40 Y C -0.945 175.008 175.900 0.090 0.000 1.029 40 Y CA 0.013 58.209 58.100 0.160 0.000 1.239 40 Y CB 0.307 38.912 38.460 0.243 0.000 1.170 40 Y HN 0.411 nan 8.280 nan 0.000 0.515 41 Y N 3.643 123.519 120.300 -0.706 0.000 2.567 41 Y HA 0.337 4.886 4.550 -0.001 0.000 0.333 41 Y C -0.030 175.479 175.900 -0.653 0.000 1.106 41 Y CA -1.203 56.628 58.100 -0.447 0.000 1.157 41 Y CB 0.985 39.280 38.460 -0.274 0.000 1.277 41 Y HN 0.664 nan 8.280 nan 0.000 0.490 42 D N -1.393 118.987 120.400 -0.034 0.000 2.449 42 D HA 0.229 4.868 4.640 -0.001 0.000 0.250 42 D C 0.293 176.609 176.300 0.027 0.000 1.050 42 D CA -0.635 53.389 54.000 0.040 0.000 1.024 42 D CB 0.672 41.572 40.800 0.166 0.000 1.218 42 D HN 0.582 nan 8.370 nan 0.000 0.566 43 E N -1.038 119.190 120.200 0.046 0.000 2.169 43 E HA -0.223 4.126 4.350 -0.001 0.000 0.202 43 E C 1.419 178.036 176.600 0.027 0.000 1.016 43 E CA 2.379 58.797 56.400 0.029 0.000 0.817 43 E CB -0.257 29.467 29.700 0.040 0.000 0.736 43 E HN 0.726 nan 8.360 nan 0.000 0.462 44 T N -3.476 111.104 114.554 0.043 0.000 3.107 44 T HA 0.287 4.637 4.350 -0.001 0.000 0.249 44 T C 1.298 176.030 174.700 0.053 0.000 1.096 44 T CA 0.200 62.325 62.100 0.042 0.000 1.012 44 T CB 0.601 69.497 68.868 0.046 0.000 0.977 44 T HN 0.277 nan 8.240 nan 0.000 0.527 45 G N 0.932 109.773 108.800 0.068 0.000 2.171 45 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.238 45 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.238 45 G C -0.216 174.803 174.900 0.197 0.000 1.039 45 G CA 0.106 45.279 45.100 0.122 0.000 0.759 45 G HN 0.793 nan 8.290 nan 0.000 0.501 46 K N 0.061 120.542 120.400 0.135 0.000 2.281 46 K HA 0.767 5.086 4.320 -0.001 0.000 0.242 46 K C 0.275 176.865 176.600 -0.016 0.000 0.971 46 K CA -1.564 54.764 56.287 0.067 0.000 0.834 46 K CB 0.685 33.219 32.500 0.056 0.000 1.181 46 K HN 0.064 nan 8.250 nan 0.000 0.435 47 I N 5.064 125.566 120.570 -0.114 0.000 2.377 47 I HA 0.273 4.442 4.170 -0.001 0.000 0.282 47 I C -2.050 174.087 176.117 0.033 0.000 1.091 47 I CA -2.139 59.080 61.300 -0.135 0.000 1.207 47 I CB -0.016 37.810 38.000 -0.290 0.000 1.429 47 I HN 0.435 nan 8.210 nan 0.000 0.491 48 P HA 0.254 nan 4.420 nan 0.000 0.276 48 P C -0.236 177.135 177.300 0.119 0.000 1.244 48 P CA -0.292 62.873 63.100 0.109 0.000 0.801 48 P CB 1.674 33.449 31.700 0.123 0.000 1.006 49 V N 2.819 122.787 119.914 0.090 0.000 2.461 49 V HA 0.038 4.158 4.120 -0.001 0.000 0.275 49 V C 0.947 177.084 176.094 0.072 0.000 1.047 49 V CA -0.576 61.775 62.300 0.084 0.000 0.955 49 V CB 0.378 32.244 31.823 0.073 0.000 0.988 49 V HN 0.383 nan 8.190 nan 0.000 0.471 50 L N 4.557 125.819 121.223 0.066 0.000 2.499 50 L HA 0.064 4.404 4.340 -0.001 0.000 0.281 50 L C 1.772 178.672 176.870 0.050 0.000 1.234 50 L CA 1.002 55.872 54.840 0.051 0.000 0.839 50 L CB 0.220 42.312 42.059 0.055 0.000 1.104 50 L HN 0.790 nan 8.230 nan 0.000 0.500 51 T N -0.271 114.306 114.554 0.037 0.000 2.821 51 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 51 T C 1.847 176.571 174.700 0.040 0.000 1.046 51 T CA 1.534 63.655 62.100 0.035 0.000 1.139 51 T CB -0.081 68.800 68.868 0.022 0.000 0.871 51 T HN 0.841 nan 8.240 nan 0.000 0.454 52 S N 1.276 117.005 115.700 0.050 0.000 2.399 52 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 52 S C 2.137 176.764 174.600 0.046 0.000 1.022 52 S CA 0.874 59.108 58.200 0.056 0.000 0.983 52 S CB -0.907 62.355 63.200 0.103 0.000 0.803 52 S HN 0.294 nan 8.310 nan 0.000 0.480 53 V N 2.260 122.208 119.914 0.057 0.000 2.270 53 V HA -0.114 4.005 4.120 -0.001 0.000 0.245 53 V C 2.863 178.982 176.094 0.042 0.000 1.043 53 V CA 1.744 64.073 62.300 0.048 0.000 1.014 53 V CB -0.621 31.244 31.823 0.069 0.000 0.645 53 V HN 0.366 nan 8.190 nan 0.000 0.447 54 K N 0.431 120.862 120.400 0.051 0.000 2.074 54 K HA -0.210 4.109 4.320 -0.001 0.000 0.209 54 K C 2.115 178.746 176.600 0.052 0.000 1.048 54 K CA 1.617 57.936 56.287 0.054 0.000 0.926 54 K CB -0.414 32.115 32.500 0.048 0.000 0.713 54 K HN 0.484 nan 8.250 nan 0.000 0.444 55 K N 0.113 120.540 120.400 0.045 0.000 2.002 55 K HA -0.078 4.241 4.320 -0.001 0.000 0.209 55 K C 2.251 178.890 176.600 0.065 0.000 1.048 55 K CA 1.252 57.568 56.287 0.048 0.000 0.930 55 K CB -0.257 32.262 32.500 0.032 0.000 0.714 55 K HN 0.105 nan 8.250 nan 0.000 0.438 56 A N 1.969 124.810 122.820 0.035 0.000 1.948 56 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 56 A C 1.948 179.583 177.584 0.084 0.000 1.177 56 A CA 1.760 53.816 52.037 0.033 0.000 0.636 56 A CB -0.504 18.468 19.000 -0.046 0.000 0.815 56 A HN 0.360 nan 8.150 nan 0.000 0.449 57 E N -1.066 119.167 120.200 0.054 0.000 2.110 57 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 57 E C 2.218 178.874 176.600 0.093 0.000 0.988 57 E CA 1.382 57.830 56.400 0.080 0.000 0.804 57 E CB -0.137 29.639 29.700 0.126 0.000 0.745 57 E HN 0.845 nan 8.360 nan 0.000 0.458 58 Q N 0.207 120.061 119.800 0.089 0.000 2.119 58 Q HA -0.224 4.115 4.340 -0.001 0.000 0.201 58 Q C 1.954 177.991 176.000 0.063 0.000 0.972 58 Q CA 1.269 57.112 55.803 0.067 0.000 0.847 58 Q CB -0.305 28.470 28.738 0.062 0.000 0.903 58 Q HN 0.365 nan 8.270 nan 0.000 0.433 59 Y N 0.454 120.748 120.300 -0.009 0.000 2.165 59 Y HA -0.217 4.333 4.550 -0.001 0.000 0.286 59 Y C 1.520 177.409 175.900 -0.018 0.000 1.155 59 Y CA 1.840 59.930 58.100 -0.017 0.000 1.164 59 Y CB -0.118 38.326 38.460 -0.028 0.000 0.978 59 Y HN 0.159 nan 8.280 nan 0.000 0.513 60 L N -0.597 120.602 121.223 -0.041 0.000 2.056 60 L HA -0.217 4.123 4.340 -0.001 0.000 0.207 60 L C 2.596 179.392 176.870 -0.125 0.000 1.078 60 L CA 0.998 55.775 54.840 -0.104 0.000 0.749 60 L CB -0.671 41.398 42.059 0.017 0.000 0.901 60 L HN 0.310 nan 8.230 nan 0.000 0.433 61 L N -0.028 121.159 121.223 -0.059 0.000 2.043 61 L HA -0.270 4.069 4.340 -0.001 0.000 0.212 61 L C 2.406 179.217 176.870 -0.097 0.000 1.075 61 L CA 1.798 56.608 54.840 -0.051 0.000 0.752 61 L CB -0.120 41.928 42.059 -0.020 0.000 0.891 61 L HN 0.399 nan 8.230 nan 0.000 0.432 62 E N -0.927 119.184 120.200 -0.148 0.000 2.170 62 E HA -0.085 4.265 4.350 -0.001 0.000 0.191 62 E C 1.540 178.010 176.600 -0.216 0.000 0.981 62 E CA 0.661 56.966 56.400 -0.158 0.000 0.830 62 E CB 0.143 29.760 29.700 -0.139 0.000 0.775 62 E HN 0.556 nan 8.360 nan 0.000 0.470 63 N N 0.571 119.053 118.700 -0.364 0.000 2.325 63 N HA 0.025 4.764 4.740 -0.001 0.000 0.182 63 N C 0.384 175.767 175.510 -0.211 0.000 1.088 63 N CA 0.159 53.000 53.050 -0.349 0.000 0.879 63 N CB 0.610 38.711 38.487 -0.642 0.000 0.983 63 N HN 0.187 nan 8.380 nan 0.000 0.471 67 T N 0.415 114.944 114.554 -0.042 0.000 2.853 67 T HA 0.583 4.932 4.350 -0.001 0.000 0.311 67 T C -1.187 173.482 174.700 -0.052 0.000 1.307 67 T CA -0.604 61.470 62.100 -0.044 0.000 1.019 67 T CB 1.819 70.666 68.868 -0.035 0.000 1.264 67 T HN -0.047 nan 8.240 nan 0.000 0.497 68 K N 2.401 122.758 120.400 -0.072 0.000 2.414 68 K HA 0.295 4.614 4.320 -0.001 0.000 0.204 68 K C 0.736 177.253 176.600 -0.138 0.000 1.026 68 K CA -0.391 55.839 56.287 -0.097 0.000 1.108 68 K CB -0.046 32.387 32.500 -0.112 0.000 0.855 68 K HN 0.547 nan 8.250 nan 0.000 0.517 69 L N 2.022 123.184 121.223 -0.102 0.000 2.685 69 L HA -0.190 4.149 4.340 -0.001 0.000 0.305 69 L C -0.028 176.799 176.870 -0.072 0.000 1.258 69 L CA 0.889 55.680 54.840 -0.082 0.000 0.876 69 L CB -0.002 42.047 42.059 -0.017 0.000 1.124 69 L HN 0.208 nan 8.230 nan 0.000 0.507 70 Y N 4.041 124.340 120.300 -0.003 0.000 2.610 70 Y HA 0.000 4.549 4.550 -0.001 0.000 0.332 70 Y C 0.943 176.842 175.900 -0.001 0.000 1.201 70 Y CA 0.110 58.210 58.100 -0.001 0.000 1.465 70 Y CB 0.332 38.795 38.460 0.004 0.000 1.283 70 Y HN 0.387 nan 8.280 nan 0.000 0.563 71 L N 2.123 123.447 121.223 0.168 0.000 2.482 71 L HA 0.388 4.728 4.340 -0.001 0.000 0.242 71 L C 1.201 178.134 176.870 0.105 0.000 1.210 71 L CA -0.359 54.539 54.840 0.096 0.000 0.819 71 L CB 0.038 42.125 42.059 0.046 0.000 1.203 71 L HN 0.757 nan 8.230 nan 0.000 0.495 72 G N -0.707 108.135 108.800 0.071 0.000 2.528 72 G HA2 0.360 4.319 3.960 -0.001 0.000 0.289 72 G HA3 0.360 4.319 3.960 -0.001 0.000 0.289 72 G C 0.880 175.813 174.900 0.054 0.000 1.192 72 G CA -0.620 44.513 45.100 0.056 0.000 0.921 72 G HN 0.626 nan 8.290 nan 0.000 0.512 73 I N 0.211 120.797 120.570 0.026 0.000 2.248 73 I HA -0.187 3.982 4.170 -0.001 0.000 0.248 73 I C 1.965 178.112 176.117 0.050 0.000 1.107 73 I CA 1.683 62.988 61.300 0.009 0.000 1.373 73 I CB -0.107 37.856 38.000 -0.061 0.000 1.055 73 I HN 0.558 nan 8.210 nan 0.000 0.418 74 D N 0.446 120.894 120.400 0.080 0.000 2.340 74 D HA 0.199 4.838 4.640 -0.001 0.000 0.220 74 D C 1.038 177.422 176.300 0.140 0.000 1.039 74 D CA 0.724 54.819 54.000 0.160 0.000 0.866 74 D CB -0.170 40.824 40.800 0.324 0.000 0.913 74 D HN 0.390 nan 8.370 nan 0.000 0.523 75 G N 0.669 109.516 108.800 0.079 0.000 2.681 75 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.220 75 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.220 75 G C -0.472 174.447 174.900 0.031 0.000 1.353 75 G CA -0.396 44.713 45.100 0.014 0.000 0.872 75 G HN 0.297 nan 8.290 nan 0.000 0.557 76 I N 2.740 123.300 120.570 -0.015 0.000 2.436 76 I HA 0.159 4.329 4.170 -0.001 0.000 0.289 76 I C -0.797 175.386 176.117 0.110 0.000 1.083 76 I CA -1.494 59.823 61.300 0.028 0.000 1.372 76 I CB 1.383 39.373 38.000 -0.015 0.000 1.408 76 I HN 0.321 nan 8.210 nan 0.000 0.516 77 P HA -0.201 nan 4.420 nan 0.000 0.216 77 P C 1.213 178.560 177.300 0.079 0.000 1.153 77 P CA 1.229 64.378 63.100 0.083 0.000 0.858 77 P CB 0.251 31.983 31.700 0.053 0.000 0.789 78 E N -1.139 119.100 120.200 0.066 0.000 2.085 78 E HA -0.173 4.176 4.350 -0.001 0.000 0.194 78 E C 1.822 178.446 176.600 0.039 0.000 0.994 78 E CA 0.863 57.284 56.400 0.034 0.000 0.801 78 E CB -1.307 28.403 29.700 0.017 0.000 0.743 78 E HN 0.285 nan 8.360 nan 0.000 0.453 79 F N 0.653 120.552 119.950 -0.085 0.000 2.126 79 F HA -0.158 4.369 4.527 -0.001 0.000 0.299 79 F C 2.066 177.829 175.800 -0.060 0.000 1.096 79 F CA 2.009 59.941 58.000 -0.115 0.000 1.255 79 F CB -0.464 38.466 39.000 -0.116 0.000 0.997 79 F HN 0.072 nan 8.300 nan 0.000 0.479 80 G N -0.127 108.759 108.800 0.144 0.000 2.433 80 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.216 80 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.216 80 G C 1.740 176.611 174.900 -0.048 0.000 1.186 80 G CA 0.774 45.905 45.100 0.052 0.000 0.779 80 G HN 0.344 nan 8.290 nan 0.000 0.543 81 R N -0.571 119.912 120.500 -0.029 0.000 2.080 81 R HA -0.102 4.237 4.340 -0.001 0.000 0.236 81 R C 2.694 178.953 176.300 -0.069 0.000 1.137 81 R CA 1.894 57.974 56.100 -0.034 0.000 0.943 81 R CB -0.736 29.551 30.300 -0.021 0.000 0.846 81 R HN 0.380 nan 8.270 nan 0.000 0.431 82 C N -0.597 118.631 119.300 -0.121 0.000 2.425 82 C HA -0.073 4.387 4.460 -0.001 0.000 0.277 82 C C 2.616 177.500 174.990 -0.176 0.000 1.280 82 C CA 1.266 60.192 59.018 -0.152 0.000 1.744 82 C CB -0.870 26.735 27.740 -0.225 0.000 1.989 82 C HN 0.607 nan 8.230 nan 0.000 0.491 83 T N 0.824 115.219 114.554 -0.265 0.000 2.708 83 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 83 T C 1.757 176.354 174.700 -0.171 0.000 1.037 83 T CA 1.489 63.443 62.100 -0.243 0.000 1.146 83 T CB -0.334 68.320 68.868 -0.357 0.000 0.865 83 T HN 0.671 nan 8.240 nan 0.000 0.435 84 Q N 0.491 120.233 119.800 -0.096 0.000 2.291 84 Q HA -0.091 4.249 4.340 -0.001 0.000 0.206 84 Q C 2.181 178.188 176.000 0.011 0.000 0.976 84 Q CA 0.987 56.788 55.803 -0.003 0.000 0.875 84 Q CB -0.098 28.739 28.738 0.165 0.000 0.927 84 Q HN 0.639 nan 8.270 nan 0.000 0.450 85 E N 0.256 120.443 120.200 -0.021 0.000 2.086 85 E HA -0.114 4.236 4.350 -0.001 0.000 0.190 85 E C 1.809 178.392 176.600 -0.028 0.000 0.975 85 E CA 0.289 56.689 56.400 0.000 0.000 0.813 85 E CB 0.055 29.753 29.700 -0.003 0.000 0.768 85 E HN 0.136 nan 8.360 nan 0.000 0.457 86 L N 1.007 122.193 121.223 -0.061 0.000 2.046 86 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 86 L C 2.067 178.867 176.870 -0.117 0.000 1.077 86 L CA 1.365 56.172 54.840 -0.055 0.000 0.747 86 L CB -0.524 41.511 42.059 -0.040 0.000 0.896 86 L HN 0.115 nan 8.230 nan 0.000 0.432 87 L N -1.669 119.408 121.223 -0.243 0.000 1.973 87 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 87 L C 2.015 178.617 176.870 -0.447 0.000 1.073 87 L CA 1.959 56.513 54.840 -0.477 0.000 0.746 87 L CB -0.854 40.638 42.059 -0.945 0.000 0.891 87 L HN 0.178 nan 8.230 nan 0.000 0.433 88 F N -0.622 119.321 119.950 -0.012 0.000 2.749 88 F HA 0.515 5.041 4.527 -0.001 0.000 0.300 88 F C 1.223 177.013 175.800 -0.016 0.000 1.103 88 F CA 0.122 58.109 58.000 -0.022 0.000 1.342 88 F CB -0.667 38.318 39.000 -0.026 0.000 1.098 88 F HN 0.125 nan 8.300 nan 0.000 0.586 89 G N 0.928 109.786 108.800 0.098 0.000 2.721 89 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.686 89 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.686 89 G C 0.647 175.586 174.900 0.064 0.000 1.236 89 G CA -0.578 44.561 45.100 0.064 0.000 0.786 89 G HN -0.028 nan 8.290 nan 0.000 0.616 90 K N 0.580 121.002 120.400 0.038 0.000 2.067 90 K HA -0.259 4.061 4.320 -0.001 0.000 0.226 90 K C 2.109 178.726 176.600 0.028 0.000 1.046 90 K CA 2.620 58.923 56.287 0.027 0.000 0.967 90 K CB -0.581 31.929 32.500 0.017 0.000 0.749 90 K HN 1.483 nan 8.250 nan 0.000 0.456 91 G N 0.928 109.744 108.800 0.027 0.000 4.144 91 G HA2 0.120 4.079 3.960 -0.001 0.000 0.297 91 G HA3 0.120 4.079 3.960 -0.001 0.000 0.297 91 G C -0.054 174.857 174.900 0.019 0.000 1.090 91 G CA 0.004 45.115 45.100 0.019 0.000 0.870 91 G HN 0.265 nan 8.290 nan 0.000 0.532 92 S N -0.070 115.651 115.700 0.035 0.000 2.560 92 S HA 0.323 4.792 4.470 -0.001 0.000 0.276 92 S C 1.929 176.522 174.600 -0.012 0.000 1.350 92 S CA 0.559 58.773 58.200 0.024 0.000 1.024 92 S CB 1.101 64.339 63.200 0.064 0.000 0.864 92 S HN 0.710 nan 8.310 nan 0.000 0.536 93 A N 3.485 126.284 122.820 -0.034 0.000 1.968 93 A HA 0.075 4.394 4.320 -0.001 0.000 0.217 93 A C 2.057 179.591 177.584 -0.083 0.000 1.169 93 A CA 0.996 53.004 52.037 -0.048 0.000 0.638 93 A CB -0.733 18.239 19.000 -0.046 0.000 0.812 93 A HN 0.780 nan 8.150 nan 0.000 0.446 94 L N -0.053 121.084 121.223 -0.144 0.000 2.013 94 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 94 L C 2.376 179.153 176.870 -0.156 0.000 1.073 94 L CA 1.795 56.492 54.840 -0.238 0.000 0.753 94 L CB -0.455 41.268 42.059 -0.560 0.000 0.890 94 L HN 0.432 nan 8.230 nan 0.000 0.432 95 I N -0.955 119.561 120.570 -0.091 0.000 2.233 95 I HA -0.238 3.931 4.170 -0.001 0.000 0.243 95 I C 1.948 178.046 176.117 -0.032 0.000 1.093 95 I CA 0.816 62.096 61.300 -0.033 0.000 1.380 95 I CB -0.438 37.574 38.000 0.019 0.000 1.067 95 I HN 0.309 nan 8.210 nan 0.000 0.413 96 N N 0.844 119.526 118.700 -0.029 0.000 2.223 96 N HA -0.159 4.580 4.740 -0.001 0.000 0.185 96 N C 1.022 176.515 175.510 -0.028 0.000 1.016 96 N CA 1.225 54.261 53.050 -0.023 0.000 0.863 96 N CB -0.392 38.084 38.487 -0.018 0.000 0.983 96 N HN 0.337 nan 8.380 nan 0.000 0.429 97 D N 0.493 120.868 120.400 -0.041 0.000 2.328 97 D HA 0.013 4.652 4.640 -0.001 0.000 0.221 97 D C 0.213 176.489 176.300 -0.040 0.000 1.072 97 D CA 0.094 54.071 54.000 -0.038 0.000 0.850 97 D CB 0.139 40.914 40.800 -0.042 0.000 0.922 97 D HN -0.135 nan 8.370 nan 0.000 0.516 98 K N 0.590 120.963 120.400 -0.044 0.000 3.077 98 K HA -0.222 4.097 4.320 -0.001 0.000 0.264 98 K C 0.703 177.270 176.600 -0.056 0.000 1.008 98 K CA 0.190 56.450 56.287 -0.046 0.000 0.740 98 K CB -1.336 31.146 32.500 -0.030 0.000 1.273 98 K HN 0.341 nan 8.250 nan 0.000 0.477 99 R N -1.334 119.121 120.500 -0.075 0.000 2.280 99 R HA 0.186 4.525 4.340 -0.001 0.000 0.195 99 R C 0.686 176.931 176.300 -0.092 0.000 0.935 99 R CA 0.792 56.846 56.100 -0.077 0.000 1.033 99 R CB 0.599 30.842 30.300 -0.094 0.000 0.964 99 R HN 0.240 nan 8.270 nan 0.000 0.489 100 A N 1.637 124.390 122.820 -0.111 0.000 2.350 100 A HA 0.652 4.971 4.320 -0.001 0.000 0.324 100 A C -0.532 176.958 177.584 -0.155 0.000 1.118 100 A CA -0.735 51.241 52.037 -0.100 0.000 0.783 100 A CB 1.193 20.158 19.000 -0.058 0.000 1.236 100 A HN -0.011 nan 8.150 nan 0.000 0.457 101 R N 1.074 121.417 120.500 -0.262 0.000 2.628 101 R HA 0.686 5.026 4.340 -0.001 0.000 0.288 101 R C -1.313 174.675 176.300 -0.520 0.000 0.980 101 R CA -0.413 55.325 56.100 -0.604 0.000 0.891 101 R CB 1.795 31.356 30.300 -1.231 0.000 1.188 101 R HN 0.683 nan 8.270 nan 0.000 0.450 102 T N 0.799 115.131 114.554 -0.370 0.000 2.876 102 T HA 0.678 5.027 4.350 -0.001 0.000 0.289 102 T C -0.878 173.939 174.700 0.196 0.000 1.014 102 T CA -0.594 61.490 62.100 -0.027 0.000 0.986 102 T CB 2.039 70.934 68.868 0.046 0.000 1.021 102 T HN 0.635 nan 8.240 nan 0.000 0.458 103 A N 2.617 125.661 122.820 0.373 0.000 2.318 103 A HA 0.637 4.956 4.320 -0.001 0.000 0.317 103 A C -0.141 177.618 177.584 0.291 0.000 1.159 103 A CA -0.721 51.554 52.037 0.397 0.000 0.799 103 A CB 1.028 20.246 19.000 0.363 0.000 1.194 103 A HN 0.765 nan 8.150 nan 0.000 0.479 104 Q N 1.720 121.655 119.800 0.225 0.000 2.314 104 Q HA 0.458 4.797 4.340 -0.001 0.000 0.258 104 Q C -0.164 175.870 176.000 0.057 0.000 0.954 104 Q CA 0.356 56.212 55.803 0.089 0.000 0.890 104 Q CB 0.573 29.128 28.738 -0.306 0.000 1.210 104 Q HN 0.838 nan 8.270 nan 0.000 0.410 105 T N 0.604 115.182 114.554 0.039 0.000 2.887 105 T HA 0.577 4.926 4.350 -0.001 0.000 0.292 105 T C -2.777 171.847 174.700 -0.127 0.000 1.087 105 T CA -2.134 59.970 62.100 0.006 0.000 1.009 105 T CB 1.663 70.600 68.868 0.115 0.000 1.203 105 T HN 0.450 nan 8.240 nan 0.000 0.518 106 P HA 0.415 nan 4.420 nan 0.000 0.268 106 P C 0.814 178.057 177.300 -0.096 0.000 1.541 106 P CA 0.877 63.833 63.100 -0.239 0.000 1.093 106 P CB -0.277 31.198 31.700 -0.375 0.000 1.551 107 G N 3.131 111.907 108.800 -0.041 0.000 2.828 107 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.463 107 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.463 107 G C 0.958 175.872 174.900 0.023 0.000 1.394 107 G CA -0.413 44.691 45.100 0.006 0.000 0.862 107 G HN 0.487 nan 8.290 nan 0.000 0.540 108 G N -0.912 107.897 108.800 0.015 0.000 2.511 108 G HA2 0.173 4.132 3.960 -0.001 0.000 0.217 108 G HA3 0.173 4.132 3.960 -0.001 0.000 0.217 108 G C 2.043 176.981 174.900 0.064 0.000 1.133 108 G CA 1.918 47.028 45.100 0.018 0.000 0.792 108 G HN 1.134 nan 8.290 nan 0.000 0.539 109 S N 0.728 116.480 115.700 0.086 0.000 2.353 109 S HA -0.094 4.375 4.470 -0.001 0.000 0.222 109 S C 2.549 177.195 174.600 0.076 0.000 1.035 109 S CA 1.398 59.670 58.200 0.120 0.000 1.025 109 S CB -0.637 62.634 63.200 0.118 0.000 0.902 109 S HN 0.501 nan 8.310 nan 0.000 0.440 110 G N 1.028 109.863 108.800 0.059 0.000 2.442 110 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.219 110 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.219 110 G C 1.518 176.485 174.900 0.112 0.000 1.141 110 G CA 0.974 46.120 45.100 0.078 0.000 0.763 110 G HN 0.584 nan 8.290 nan 0.000 0.554 111 A N 0.234 123.113 122.820 0.097 0.000 1.969 111 A HA 0.140 4.460 4.320 -0.001 0.000 0.218 111 A C 2.319 179.969 177.584 0.110 0.000 1.169 111 A CA 1.126 53.232 52.037 0.115 0.000 0.635 111 A CB -0.295 18.769 19.000 0.107 0.000 0.810 111 A HN 0.288 nan 8.150 nan 0.000 0.445 112 L N -0.350 120.926 121.223 0.088 0.000 2.017 112 L HA -0.106 4.233 4.340 -0.001 0.000 0.208 112 L C 2.506 179.344 176.870 -0.054 0.000 1.073 112 L CA 2.134 57.001 54.840 0.046 0.000 0.745 112 L CB -1.209 40.875 42.059 0.041 0.000 0.894 112 L HN 0.457 nan 8.230 nan 0.000 0.432 113 R N -0.613 119.865 120.500 -0.036 0.000 2.081 113 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 113 R C 2.166 178.490 176.300 0.040 0.000 1.131 113 R CA 1.519 57.599 56.100 -0.034 0.000 0.960 113 R CB -0.772 29.531 30.300 0.006 0.000 0.856 113 R HN 0.191 nan 8.270 nan 0.000 0.436 114 V N 0.713 120.681 119.914 0.089 0.000 2.343 114 V HA -0.212 3.908 4.120 -0.001 0.000 0.247 114 V C 2.349 178.535 176.094 0.154 0.000 1.051 114 V CA 1.902 64.265 62.300 0.104 0.000 1.036 114 V CB -0.950 30.938 31.823 0.107 0.000 0.654 114 V HN 0.544 nan 8.190 nan 0.000 0.451 115 A N 0.079 123.002 122.820 0.172 0.000 1.883 115 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 115 A C 2.462 180.255 177.584 0.348 0.000 1.186 115 A CA 2.296 54.499 52.037 0.277 0.000 0.624 115 A CB -0.928 18.237 19.000 0.275 0.000 0.822 115 A HN 0.577 nan 8.150 nan 0.000 0.444 116 A N 0.114 123.083 122.820 0.249 0.000 1.873 116 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 116 A C 1.809 179.500 177.584 0.179 0.000 1.193 116 A CA 2.102 54.283 52.037 0.239 0.000 0.629 116 A CB -0.795 18.222 19.000 0.029 0.000 0.826 116 A HN 0.475 nan 8.150 nan 0.000 0.447 117 D N -1.266 119.214 120.400 0.134 0.000 2.144 117 D HA -0.131 4.508 4.640 -0.001 0.000 0.199 117 D C 1.631 178.011 176.300 0.134 0.000 0.984 117 D CA 1.461 55.523 54.000 0.103 0.000 0.834 117 D CB -0.439 40.406 40.800 0.075 0.000 0.955 117 D HN 0.547 nan 8.370 nan 0.000 0.465 118 F N 0.841 120.820 119.950 0.048 0.000 2.146 118 F HA -0.135 4.391 4.527 -0.001 0.000 0.298 118 F C 1.880 177.721 175.800 0.068 0.000 1.096 118 F CA 0.778 58.807 58.000 0.049 0.000 1.275 118 F CB -0.116 38.917 39.000 0.056 0.000 1.008 118 F HN -0.153 nan 8.300 nan 0.000 0.480 119 L N 1.041 122.206 121.223 -0.097 0.000 2.005 119 L HA -0.028 4.311 4.340 -0.001 0.000 0.207 119 L C 2.813 179.607 176.870 -0.126 0.000 1.072 119 L CA 1.939 56.676 54.840 -0.171 0.000 0.744 119 L CB -1.908 40.216 42.059 0.108 0.000 0.895 119 L HN 0.284 nan 8.230 nan 0.000 0.433 120 A N -1.277 121.534 122.820 -0.016 0.000 1.948 120 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 120 A C 2.305 179.860 177.584 -0.048 0.000 1.177 120 A CA 1.662 53.695 52.037 -0.007 0.000 0.636 120 A CB -0.334 18.686 19.000 0.033 0.000 0.815 120 A HN 0.297 nan 8.150 nan 0.000 0.449 121 K N -0.902 119.451 120.400 -0.078 0.000 2.356 121 K HA 0.097 4.416 4.320 -0.001 0.000 0.195 121 K C 0.369 176.892 176.600 -0.128 0.000 1.037 121 K CA 0.372 56.612 56.287 -0.079 0.000 1.014 121 K CB 0.095 32.566 32.500 -0.050 0.000 0.815 121 K HN 0.512 nan 8.250 nan 0.000 0.507 122 N N 0.723 119.276 118.700 -0.244 0.000 2.170 122 N HA 0.006 4.745 4.740 -0.001 0.000 0.222 122 N C 0.096 175.478 175.510 -0.213 0.000 1.218 122 N CA 0.178 53.076 53.050 -0.253 0.000 0.889 122 N CB 1.545 39.793 38.487 -0.399 0.000 1.083 122 N HN 0.185 nan 8.380 nan 0.000 0.520 123 T N -2.851 111.602 114.554 -0.168 0.000 2.681 123 T HA 0.227 4.576 4.350 -0.001 0.000 0.296 123 T C 0.500 175.175 174.700 -0.043 0.000 1.157 123 T CA -0.522 61.525 62.100 -0.087 0.000 1.025 123 T CB 1.176 69.999 68.868 -0.075 0.000 1.441 123 T HN -0.092 nan 8.240 nan 0.000 0.504 124 S N -0.283 115.410 115.700 -0.011 0.000 2.660 124 S HA 0.315 4.784 4.470 -0.001 0.000 0.227 124 S C 0.597 175.208 174.600 0.017 0.000 0.948 124 S CA -0.535 57.669 58.200 0.005 0.000 0.948 124 S CB -0.688 62.524 63.200 0.020 0.000 0.779 124 S HN 0.677 nan 8.310 nan 0.000 0.487 125 V N 3.041 122.964 119.914 0.014 0.000 2.694 125 V HA 0.181 4.301 4.120 -0.001 0.000 0.306 125 V C 0.471 176.576 176.094 0.018 0.000 1.054 125 V CA 0.459 62.777 62.300 0.030 0.000 1.161 125 V CB 0.586 32.429 31.823 0.032 0.000 0.916 125 V HN 0.537 nan 8.190 nan 0.000 0.490 134 W N 4.426 125.551 121.300 -0.291 0.000 2.335 134 W HA 0.734 5.393 4.660 -0.001 0.000 0.307 134 W C 0.089 176.504 176.519 -0.174 0.000 1.117 134 W CA -0.609 56.626 57.345 -0.184 0.000 1.228 134 W CB 1.841 31.198 29.460 -0.172 0.000 1.240 134 W HN 0.601 nan 8.180 nan 0.000 0.468 135 V N 1.026 120.892 119.914 -0.080 0.000 2.960 135 V HA 0.766 4.885 4.120 -0.001 0.000 0.315 135 V C 0.206 175.856 176.094 -0.741 0.000 1.087 135 V CA -1.179 60.943 62.300 -0.297 0.000 0.982 135 V CB 1.280 32.995 31.823 -0.180 0.000 1.039 135 V HN 0.512 nan 8.190 nan 0.000 0.437 136 S N 2.083 117.223 115.700 -0.934 0.000 2.603 136 S HA 0.310 4.779 4.470 -0.001 0.000 0.268 136 S C -0.077 174.291 174.600 -0.387 0.000 1.317 136 S CA -0.443 57.142 58.200 -1.024 0.000 1.012 136 S CB 0.600 63.305 63.200 -0.825 0.000 0.926 136 S HN 1.133 nan 8.310 nan 0.000 0.539 137 N N 2.054 120.626 118.700 -0.212 0.000 2.446 137 N HA 0.385 5.124 4.740 -0.001 0.000 0.265 137 N C -2.923 172.642 175.510 0.091 0.000 0.975 137 N CA -1.872 51.166 53.050 -0.020 0.000 0.928 137 N CB 1.524 40.033 38.487 0.038 0.000 1.160 137 N HN 0.421 nan 8.380 nan 0.000 0.495 138 P HA 0.200 nan 4.420 nan 0.000 0.276 138 P C -0.763 176.527 177.300 -0.016 0.000 1.261 138 P CA -0.234 62.892 63.100 0.042 0.000 0.800 138 P CB 0.958 32.675 31.700 0.028 0.000 1.066 139 S N -1.480 114.228 115.700 0.012 0.000 2.704 139 S HA 0.485 4.954 4.470 -0.001 0.000 0.296 139 S C -1.423 173.255 174.600 0.129 0.000 1.138 139 S CA -0.782 57.462 58.200 0.074 0.000 0.875 139 S CB 0.681 63.951 63.200 0.117 0.000 1.151 139 S HN 0.462 nan 8.310 nan 0.000 0.500 140 W N 3.249 124.553 121.300 0.007 0.000 2.419 140 W HA 0.427 5.086 4.660 -0.002 0.000 0.312 140 W C -2.172 174.274 176.519 -0.121 0.000 1.323 140 W CA -1.846 55.426 57.345 -0.123 0.000 1.293 140 W CB 0.285 29.582 29.460 -0.270 0.000 1.324 140 W HN 0.561 nan 8.180 nan 0.000 0.512 141 P HA -0.301 nan 4.420 nan 0.000 0.218 141 P C 0.701 177.747 177.300 -0.424 0.000 1.150 141 P CA 2.091 64.974 63.100 -0.362 0.000 0.841 141 P CB 0.151 31.641 31.700 -0.349 0.000 0.784 142 N N -2.180 116.020 118.700 -0.834 0.000 2.463 142 N HA -0.076 4.663 4.740 -0.001 0.000 0.181 142 N C 1.587 176.993 175.510 -0.172 0.000 1.078 142 N CA 0.088 52.770 53.050 -0.613 0.000 0.902 142 N CB -0.349 37.572 38.487 -0.943 0.000 0.970 142 N HN 0.398 nan 8.380 nan 0.000 0.451 143 H N 0.930 120.046 119.070 0.077 0.000 2.352 143 H HA -0.057 4.498 4.556 -0.001 0.000 0.299 143 H C 2.205 177.703 175.328 0.284 0.000 1.097 143 H CA 1.000 57.225 56.048 0.295 0.000 1.311 143 H CB 0.312 30.303 29.762 0.383 0.000 1.377 143 H HN 0.029 nan 8.280 nan 0.000 0.504 144 K N 0.553 121.113 120.400 0.266 0.000 2.009 144 K HA -0.154 4.165 4.320 -0.001 0.000 0.210 144 K C 2.397 179.057 176.600 0.101 0.000 1.049 144 K CA 1.662 58.044 56.287 0.159 0.000 0.929 144 K CB -0.099 32.436 32.500 0.058 0.000 0.714 144 K HN 0.191 nan 8.250 nan 0.000 0.440 145 S N 0.867 116.576 115.700 0.015 0.000 2.353 145 S HA -0.167 4.302 4.470 -0.001 0.000 0.222 145 S C 2.139 176.715 174.600 -0.040 0.000 1.035 145 S CA 1.815 59.997 58.200 -0.030 0.000 1.025 145 S CB -0.691 62.460 63.200 -0.082 0.000 0.902 145 S HN 0.358 nan 8.310 nan 0.000 0.440 146 V N -0.349 119.510 119.914 -0.091 0.000 2.261 146 V HA -0.139 3.980 4.120 -0.001 0.000 0.246 146 V C 1.945 177.896 176.094 -0.238 0.000 1.047 146 V CA 1.687 63.854 62.300 -0.221 0.000 1.015 146 V CB -1.474 30.119 31.823 -0.382 0.000 0.642 146 V HN 0.331 nan 8.190 nan 0.000 0.446 147 F N 1.944 121.925 119.950 0.051 0.000 2.102 147 F HA -0.043 4.483 4.527 -0.001 0.000 0.298 147 F C 2.429 178.233 175.800 0.007 0.000 1.105 147 F CA 2.080 60.097 58.000 0.030 0.000 1.239 147 F CB -1.269 37.742 39.000 0.017 0.000 0.991 147 F HN 0.181 nan 8.300 nan 0.000 0.474 148 N N -0.214 118.577 118.700 0.152 0.000 2.069 148 N HA -0.196 4.544 4.740 -0.001 0.000 0.191 148 N C 1.860 177.395 175.510 0.042 0.000 1.031 148 N CA 1.496 54.589 53.050 0.073 0.000 0.852 148 N CB -0.310 38.200 38.487 0.038 0.000 1.018 148 N HN 0.118 nan 8.380 nan 0.000 0.423 149 S N 0.551 116.263 115.700 0.019 0.000 2.402 149 S HA -0.136 4.333 4.470 -0.001 0.000 0.233 149 S C 1.911 176.519 174.600 0.014 0.000 1.030 149 S CA 1.138 59.339 58.200 0.003 0.000 1.003 149 S CB -0.200 62.988 63.200 -0.019 0.000 0.813 149 S HN 0.478 nan 8.310 nan 0.000 0.477 150 A N 0.258 123.097 122.820 0.032 0.000 2.238 150 A HA 0.490 4.809 4.320 -0.001 0.000 0.208 150 A C 1.522 179.136 177.584 0.050 0.000 1.177 150 A CA 0.689 52.754 52.037 0.046 0.000 0.804 150 A CB -0.671 18.377 19.000 0.079 0.000 0.823 150 A HN 0.973 nan 8.150 nan 0.000 0.482 151 G N -1.522 107.306 108.800 0.047 0.000 2.165 151 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.226 151 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.226 151 G C -0.277 174.646 174.900 0.038 0.000 1.035 151 G CA 0.248 45.369 45.100 0.034 0.000 0.744 151 G HN 0.286 nan 8.290 nan 0.000 0.501 155 V N 4.885 124.690 119.914 -0.182 0.000 2.384 155 V HA 0.587 4.706 4.120 -0.001 0.000 0.287 155 V C -0.086 175.814 176.094 -0.322 0.000 1.020 155 V CA -0.632 61.526 62.300 -0.235 0.000 0.850 155 V CB 1.299 33.063 31.823 -0.099 0.000 0.987 155 V HN 0.506 nan 8.190 nan 0.000 0.436 156 R N 3.288 123.469 120.500 -0.532 0.000 2.778 156 R HA 0.678 5.017 4.340 -0.001 0.000 0.277 156 R C -0.749 175.331 176.300 -0.367 0.000 0.977 156 R CA -0.784 54.937 56.100 -0.633 0.000 0.950 156 R CB 2.426 31.869 30.300 -1.428 0.000 1.165 156 R HN 0.672 nan 8.270 nan 0.000 0.474 157 E N 1.096 121.207 120.200 -0.147 0.000 2.202 157 E HA 0.306 4.656 4.350 -0.001 0.000 0.272 157 E C -1.119 175.648 176.600 0.278 0.000 0.951 157 E CA -0.732 55.673 56.400 0.009 0.000 0.813 157 E CB 1.518 31.200 29.700 -0.030 0.000 1.151 157 E HN 0.438 nan 8.360 nan 0.000 0.398 158 Y N -0.372 120.051 120.300 0.203 0.000 2.429 158 Y HA 0.729 5.278 4.550 -0.001 0.000 0.342 158 Y C -0.360 175.619 175.900 0.131 0.000 1.004 158 Y CA -1.673 56.526 58.100 0.166 0.000 1.075 158 Y CB 0.718 39.219 38.460 0.068 0.000 1.214 158 Y HN 0.490 nan 8.280 nan 0.000 0.455 159 A N 2.931 125.939 122.820 0.313 0.000 2.483 159 A HA 0.328 4.647 4.320 -0.001 0.000 0.238 159 A C -0.687 177.101 177.584 0.339 0.000 1.070 159 A CA 0.406 52.584 52.037 0.234 0.000 0.770 159 A CB -0.155 18.926 19.000 0.136 0.000 1.008 159 A HN 1.078 nan 8.150 nan 0.000 0.497 160 Y N 0.638 121.000 120.300 0.103 0.000 3.189 160 Y HA 0.214 4.764 4.550 -0.001 0.000 0.213 160 Y C -0.378 175.589 175.900 0.113 0.000 1.032 160 Y CA 0.123 58.279 58.100 0.093 0.000 1.482 160 Y CB 0.192 38.650 38.460 -0.005 0.000 1.460 160 Y HN 0.673 nan 8.280 nan 0.000 0.398 161 Y N 2.927 123.294 120.300 0.112 0.000 2.342 161 Y HA 0.438 4.988 4.550 -0.001 0.000 0.334 161 Y C -0.833 175.078 175.900 0.018 0.000 1.067 161 Y CA -1.662 56.464 58.100 0.044 0.000 1.128 161 Y CB 0.908 39.479 38.460 0.186 0.000 1.200 161 Y HN 0.248 nan 8.280 nan 0.000 0.464 162 D N 4.877 124.931 120.400 -0.578 0.000 2.428 162 D HA 0.347 4.987 4.640 -0.001 0.000 0.221 162 D C 0.651 176.378 176.300 -0.955 0.000 1.123 162 D CA 0.133 53.792 54.000 -0.567 0.000 0.869 162 D CB 1.177 41.787 40.800 -0.316 0.000 1.032 162 D HN 0.715 nan 8.370 nan 0.000 0.506 163 A N 4.313 126.691 122.820 -0.737 0.000 1.873 163 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 163 A C 1.864 178.974 177.584 -0.790 0.000 1.193 163 A CA 1.676 53.333 52.037 -0.632 0.000 0.629 163 A CB -0.579 18.292 19.000 -0.215 0.000 0.826 163 A HN 0.723 nan 8.150 nan 0.000 0.447 164 E N 0.064 119.926 120.200 -0.563 0.000 2.058 164 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 164 E C 1.240 177.434 176.600 -0.677 0.000 0.997 164 E CA 1.512 57.600 56.400 -0.520 0.000 0.801 164 E CB -0.355 29.175 29.700 -0.284 0.000 0.746 164 E HN 0.952 nan 8.360 nan 0.000 0.450 165 N N -0.361 117.998 118.700 -0.569 0.000 2.235 165 N HA 0.047 4.786 4.740 -0.001 0.000 0.209 165 N C -0.830 174.496 175.510 -0.308 0.000 1.122 165 N CA -0.129 52.702 53.050 -0.366 0.000 0.845 165 N CB 0.159 38.558 38.487 -0.148 0.000 1.004 165 N HN 0.133 nan 8.380 nan 0.000 0.499 166 H N 0.055 118.938 119.070 -0.311 0.000 2.592 166 H HA -0.167 4.389 4.556 -0.001 0.000 0.323 166 H C -0.401 174.954 175.328 0.044 0.000 1.117 166 H CA 1.101 57.053 56.048 -0.160 0.000 1.120 166 H CB -1.623 28.052 29.762 -0.144 0.000 1.561 166 H HN 0.334 nan 8.280 nan 0.000 0.409 167 T N -0.792 113.723 114.554 -0.066 0.000 2.762 167 T HA 0.394 4.744 4.350 -0.001 0.000 0.301 167 T C -0.886 173.797 174.700 -0.029 0.000 1.299 167 T CA -0.993 61.134 62.100 0.044 0.000 1.005 167 T CB 1.381 70.260 68.868 0.017 0.000 1.377 167 T HN 0.286 nan 8.240 nan 0.000 0.504 168 L N 2.939 124.132 121.223 -0.050 0.000 2.433 168 L HA 0.299 4.639 4.340 -0.001 0.000 0.275 168 L C -0.333 176.458 176.870 -0.133 0.000 1.128 168 L CA 0.062 54.783 54.840 -0.198 0.000 0.875 168 L CB 0.470 42.393 42.059 -0.228 0.000 1.171 168 L HN 0.702 nan 8.230 nan 0.000 0.463 169 D N 4.640 124.955 120.400 -0.141 0.000 2.494 169 D HA -0.029 4.611 4.640 -0.001 0.000 0.217 169 D C 0.894 177.196 176.300 0.004 0.000 1.153 169 D CA -0.218 53.746 54.000 -0.061 0.000 0.954 169 D CB 0.345 41.101 40.800 -0.074 0.000 1.034 169 D HN 0.429 nan 8.370 nan 0.000 0.518 170 F N 2.449 122.322 119.950 -0.128 0.000 2.120 170 F HA -0.228 4.298 4.527 -0.001 0.000 0.300 170 F C 1.760 177.527 175.800 -0.054 0.000 1.095 170 F CA 1.442 59.382 58.000 -0.099 0.000 1.249 170 F CB 0.197 39.144 39.000 -0.089 0.000 0.995 170 F HN 0.376 nan 8.300 nan 0.000 0.480 171 D N -0.014 120.393 120.400 0.011 0.000 2.087 171 D HA -0.218 4.422 4.640 -0.001 0.000 0.192 171 D C 2.362 178.615 176.300 -0.078 0.000 0.993 171 D CA 1.680 55.653 54.000 -0.044 0.000 0.828 171 D CB -0.733 40.064 40.800 -0.005 0.000 0.968 171 D HN 0.347 nan 8.370 nan 0.000 0.448 172 A N 1.770 124.561 122.820 -0.047 0.000 1.940 172 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 172 A C 2.221 179.783 177.584 -0.037 0.000 1.176 172 A CA 0.745 52.765 52.037 -0.028 0.000 0.631 172 A CB -0.733 18.265 19.000 -0.004 0.000 0.814 172 A HN 0.215 nan 8.150 nan 0.000 0.446 173 L N -0.358 120.817 121.223 -0.080 0.000 1.956 173 L HA -0.211 4.128 4.340 -0.001 0.000 0.216 173 L C 2.437 179.187 176.870 -0.199 0.000 1.073 173 L CA 2.499 57.278 54.840 -0.101 0.000 0.762 173 L CB -0.824 41.107 42.059 -0.214 0.000 0.889 173 L HN 0.438 nan 8.230 nan 0.000 0.433 174 I N 0.337 120.715 120.570 -0.321 0.000 2.208 174 I HA -0.350 3.819 4.170 -0.001 0.000 0.245 174 I C 2.076 178.112 176.117 -0.135 0.000 1.097 174 I CA 1.775 62.918 61.300 -0.261 0.000 1.363 174 I CB -0.217 37.582 38.000 -0.335 0.000 1.051 174 I HN 0.428 nan 8.210 nan 0.000 0.413 175 N N -0.149 118.490 118.700 -0.102 0.000 2.142 175 N HA -0.176 4.563 4.740 -0.001 0.000 0.186 175 N C 1.942 177.421 175.510 -0.052 0.000 1.023 175 N CA 1.642 54.657 53.050 -0.058 0.000 0.852 175 N CB -0.197 38.269 38.487 -0.035 0.000 0.998 175 N HN 0.341 nan 8.380 nan 0.000 0.424 176 S N 0.636 116.310 115.700 -0.044 0.000 2.382 176 S HA -0.059 4.410 4.470 -0.001 0.000 0.228 176 S C 1.744 176.241 174.600 -0.172 0.000 1.027 176 S CA 0.769 58.955 58.200 -0.023 0.000 0.991 176 S CB -0.567 62.683 63.200 0.084 0.000 0.823 176 S HN 0.233 nan 8.310 nan 0.000 0.469 177 L N 1.800 122.860 121.223 -0.272 0.000 2.610 177 L HA 0.100 4.439 4.340 -0.001 0.000 0.232 177 L C 2.454 179.139 176.870 -0.308 0.000 1.149 177 L CA 0.232 54.755 54.840 -0.530 0.000 0.872 177 L CB -0.625 41.057 42.059 -0.627 0.000 0.992 177 L HN 0.426 nan 8.230 nan 0.000 0.447 178 N N 0.698 119.316 118.700 -0.137 0.000 2.364 178 N HA -0.183 4.557 4.740 -0.001 0.000 0.183 178 N C 1.162 176.652 175.510 -0.033 0.000 1.022 178 N CA 1.040 54.071 53.050 -0.032 0.000 0.883 178 N CB 0.245 38.721 38.487 -0.019 0.000 0.965 178 N HN 0.544 nan 8.380 nan 0.000 0.438 179 E N 0.025 120.155 120.200 -0.117 0.000 2.478 179 E HA 0.118 4.467 4.350 -0.001 0.000 0.194 179 E C 0.365 176.943 176.600 -0.037 0.000 1.045 179 E CA -0.313 56.077 56.400 -0.018 0.000 0.868 179 E CB 0.354 30.118 29.700 0.108 0.000 0.885 179 E HN 0.238 nan 8.360 nan 0.000 0.505 180 A N 1.772 124.365 122.820 -0.379 0.000 2.477 180 A HA 0.068 4.387 4.320 -0.001 0.000 0.246 180 A C 0.180 177.839 177.584 0.126 0.000 1.078 180 A CA 0.055 51.840 52.037 -0.420 0.000 0.770 180 A CB 0.333 18.642 19.000 -1.152 0.000 1.011 180 A HN 0.069 nan 8.150 nan 0.000 0.494 181 Q N 0.393 120.338 119.800 0.241 0.000 2.180 181 Q HA 0.564 4.904 4.340 -0.001 0.000 0.241 181 Q C 0.195 176.375 176.000 0.300 0.000 0.970 181 Q CA -0.618 55.329 55.803 0.240 0.000 0.919 181 Q CB 1.495 30.349 28.738 0.194 0.000 1.222 181 Q HN 0.912 nan 8.270 nan 0.000 0.482 182 A N 0.252 123.198 122.820 0.209 0.000 2.492 182 A HA 0.436 4.755 4.320 -0.001 0.000 0.254 182 A C 0.977 178.678 177.584 0.194 0.000 1.091 182 A CA 0.859 53.009 52.037 0.188 0.000 0.768 182 A CB -0.777 18.276 19.000 0.088 0.000 1.028 182 A HN 0.940 nan 8.150 nan 0.000 0.498 183 G N 2.224 111.165 108.800 0.234 0.000 2.179 183 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.220 183 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.220 183 G C -0.092 174.923 174.900 0.191 0.000 0.990 183 G CA 0.211 45.422 45.100 0.185 0.000 0.646 183 G HN 0.776 nan 8.290 nan 0.000 0.517 184 D N -0.150 120.399 120.400 0.248 0.000 2.329 184 D HA 0.544 5.183 4.640 -0.001 0.000 0.246 184 D C 0.449 176.848 176.300 0.165 0.000 1.111 184 D CA -0.148 53.980 54.000 0.213 0.000 0.941 184 D CB 1.767 42.732 40.800 0.275 0.000 1.169 184 D HN 0.095 nan 8.370 nan 0.000 0.441 185 V N 1.819 121.794 119.914 0.101 0.000 2.427 185 V HA 0.271 4.390 4.120 -0.001 0.000 0.286 185 V C -0.103 175.954 176.094 -0.061 0.000 1.034 185 V CA -0.594 61.723 62.300 0.029 0.000 0.893 185 V CB 1.708 33.509 31.823 -0.037 0.000 0.982 185 V HN 0.223 nan 8.190 nan 0.000 0.452 186 V N 6.694 126.515 119.914 -0.155 0.000 2.370 186 V HA 0.425 4.545 4.120 -0.001 0.000 0.283 186 V C -0.151 175.634 176.094 -0.515 0.000 1.023 186 V CA -0.529 61.528 62.300 -0.405 0.000 0.857 186 V CB 1.660 33.050 31.823 -0.720 0.000 0.985 186 V HN 0.693 nan 8.190 nan 0.000 0.443 187 L N 5.843 126.778 121.223 -0.480 0.000 2.264 187 L HA 0.623 4.962 4.340 -0.001 0.000 0.289 187 L C -1.262 175.304 176.870 -0.506 0.000 1.044 187 L CA -0.114 54.462 54.840 -0.441 0.000 0.807 187 L CB 0.575 42.426 42.059 -0.346 0.000 1.192 187 L HN 0.482 nan 8.230 nan 0.000 0.425 188 F N 2.178 121.960 119.950 -0.279 0.000 2.492 188 F HA 0.398 4.925 4.527 -0.001 0.000 0.327 188 F C -0.032 175.756 175.800 -0.020 0.000 1.079 188 F CA -0.687 57.200 58.000 -0.189 0.000 0.967 188 F CB 1.152 39.803 39.000 -0.582 0.000 1.169 188 F HN 0.398 nan 8.300 nan 0.000 0.472 189 H N 0.891 120.131 119.070 0.282 0.000 2.668 189 H HA 0.284 4.839 4.556 -0.001 0.000 0.303 189 H C 1.162 176.729 175.328 0.398 0.000 1.074 189 H CA -0.087 56.130 56.048 0.281 0.000 1.406 189 H CB 1.210 31.128 29.762 0.260 0.000 1.442 189 H HN 0.787 nan 8.280 nan 0.000 0.482 190 G N 2.375 111.370 108.800 0.325 0.000 2.476 190 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.218 190 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.218 190 G C 0.265 175.249 174.900 0.140 0.000 1.164 190 G CA 1.184 46.186 45.100 -0.164 0.000 0.768 190 G HN 0.807 nan 8.290 nan 0.000 0.560 191 C N -5.256 114.294 119.300 0.417 0.000 3.312 191 C HA 0.539 4.998 4.460 -0.001 0.000 0.332 191 C C 0.341 175.594 174.990 0.439 0.000 1.340 191 C CA -0.922 58.381 59.018 0.475 0.000 1.265 191 C CB 0.726 28.750 27.740 0.474 0.000 1.563 191 C HN 0.972 nan 8.230 nan 0.000 0.471 192 C N 2.435 121.935 119.300 0.333 0.000 4.067 192 C HA -0.129 4.330 4.460 -0.001 0.000 0.305 192 C C 0.549 175.641 174.990 0.170 0.000 1.305 192 C CA 1.095 60.219 59.018 0.177 0.000 2.111 192 C CB -3.299 24.430 27.740 -0.019 0.000 1.339 192 C HN 1.253 nan 8.230 nan 0.000 0.668 193 H N 1.866 121.034 119.070 0.163 0.000 3.214 193 H HA -0.013 4.542 4.556 -0.001 0.000 0.291 193 H C 0.554 175.876 175.328 -0.010 0.000 0.926 193 H CA 1.274 57.341 56.048 0.033 0.000 1.409 193 H CB 0.461 30.179 29.762 -0.073 0.000 1.406 193 H HN 0.681 nan 8.280 nan 0.000 0.561 194 N N 7.337 125.823 118.700 -0.356 0.000 2.457 194 N HA 0.135 4.874 4.740 -0.001 0.000 0.250 194 N C -2.154 173.105 175.510 -0.418 0.000 0.982 194 N CA -2.167 50.749 53.050 -0.223 0.000 0.941 194 N CB 1.402 39.868 38.487 -0.035 0.000 1.120 194 N HN 0.424 nan 8.380 nan 0.000 0.505 195 P HA 0.128 nan 4.420 nan 0.000 0.282 195 P C 0.924 177.987 177.300 -0.395 0.000 1.327 195 P CA 0.179 63.034 63.100 -0.408 0.000 0.949 195 P CB 0.299 31.675 31.700 -0.539 0.000 1.445 196 T N -3.305 111.073 114.554 -0.293 0.000 2.777 196 T HA 0.065 4.415 4.350 -0.001 0.000 0.266 196 T C 1.763 176.490 174.700 0.046 0.000 1.040 196 T CA 1.754 63.694 62.100 -0.266 0.000 1.141 196 T CB -1.370 67.338 68.868 -0.267 0.000 0.868 196 T HN 0.194 nan 8.240 nan 0.000 0.444 197 G N 1.131 110.022 108.800 0.151 0.000 2.176 197 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.253 197 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.253 197 G C -0.006 175.018 174.900 0.207 0.000 0.979 197 G CA 0.048 45.253 45.100 0.176 0.000 0.641 197 G HN 0.621 nan 8.290 nan 0.000 0.530 198 I N 1.710 122.418 120.570 0.229 0.000 2.321 198 I HA 0.477 4.646 4.170 -0.001 0.000 0.291 198 I C -0.664 175.590 176.117 0.229 0.000 0.998 198 I CA -0.813 60.613 61.300 0.210 0.000 1.227 198 I CB 1.259 39.378 38.000 0.200 0.000 1.368 198 I HN -0.069 nan 8.210 nan 0.000 0.466 199 D N 7.466 127.974 120.400 0.180 0.000 2.340 199 D HA 0.535 5.174 4.640 -0.001 0.000 0.240 199 D C -2.291 173.997 176.300 -0.021 0.000 1.001 199 D CA -1.233 52.870 54.000 0.172 0.000 0.888 199 D CB 1.801 42.768 40.800 0.277 0.000 1.310 199 D HN 0.192 nan 8.370 nan 0.000 0.474 200 P HA 0.126 nan 4.420 nan 0.000 0.272 200 P C 0.101 177.203 177.300 -0.331 0.000 1.240 200 P CA -0.302 62.501 63.100 -0.495 0.000 0.791 200 P CB 0.270 31.337 31.700 -1.054 0.000 0.978 201 T N -2.003 112.392 114.554 -0.265 0.000 2.810 201 T HA 0.212 4.561 4.350 -0.001 0.000 0.277 201 T C 1.254 176.010 174.700 0.093 0.000 0.973 201 T CA -0.713 61.352 62.100 -0.057 0.000 0.949 201 T CB 0.161 68.976 68.868 -0.088 0.000 1.075 201 T HN 0.235 nan 8.240 nan 0.000 0.537 202 L N -0.051 121.293 121.223 0.202 0.000 2.083 202 L HA -0.065 4.274 4.340 -0.001 0.000 0.209 202 L C 2.868 179.856 176.870 0.197 0.000 1.083 202 L CA 1.656 56.672 54.840 0.294 0.000 0.752 202 L CB -0.401 41.766 42.059 0.181 0.000 0.899 202 L HN 0.836 nan 8.230 nan 0.000 0.433 203 E N -0.800 119.440 120.200 0.067 0.000 2.107 203 E HA -0.240 4.109 4.350 -0.001 0.000 0.191 203 E C 2.147 178.730 176.600 -0.027 0.000 0.982 203 E CA 0.940 57.351 56.400 0.019 0.000 0.809 203 E CB 0.089 29.768 29.700 -0.035 0.000 0.756 203 E HN 0.594 nan 8.360 nan 0.000 0.459 204 Q N -0.539 119.158 119.800 -0.171 0.000 2.124 204 Q HA -0.170 4.169 4.340 -0.001 0.000 0.202 204 Q C 1.764 177.786 176.000 0.037 0.000 0.977 204 Q CA 1.218 56.797 55.803 -0.373 0.000 0.850 204 Q CB -0.188 28.016 28.738 -0.890 0.000 0.901 204 Q HN 0.430 nan 8.270 nan 0.000 0.429 205 W N 1.319 122.663 121.300 0.073 0.000 2.358 205 W HA -0.206 4.454 4.660 -0.001 0.000 0.303 205 W C 2.380 178.986 176.519 0.145 0.000 1.208 205 W CA 0.760 58.211 57.345 0.177 0.000 1.274 205 W CB 0.089 29.648 29.460 0.165 0.000 1.138 205 W HN 0.233 nan 8.180 nan 0.000 0.515 206 Q N -0.724 119.264 119.800 0.312 0.000 2.124 206 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 206 Q C 2.063 178.115 176.000 0.088 0.000 0.977 206 Q CA 2.113 58.003 55.803 0.145 0.000 0.850 206 Q CB -0.300 28.494 28.738 0.094 0.000 0.901 206 Q HN 0.154 nan 8.270 nan 0.000 0.429 207 T N 0.632 115.270 114.554 0.139 0.000 2.732 207 T HA -0.073 4.276 4.350 -0.001 0.000 0.261 207 T C 1.733 176.528 174.700 0.158 0.000 1.040 207 T CA 0.797 62.989 62.100 0.153 0.000 1.145 207 T CB -0.227 68.794 68.868 0.254 0.000 0.866 207 T HN 0.187 nan 8.240 nan 0.000 0.427 208 L N 0.836 122.225 121.223 0.277 0.000 2.129 208 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 208 L C 2.886 179.818 176.870 0.104 0.000 1.087 208 L CA 1.248 56.265 54.840 0.295 0.000 0.757 208 L CB -0.554 41.754 42.059 0.414 0.000 0.896 208 L HN 0.262 nan 8.230 nan 0.000 0.434 209 A N -1.029 121.654 122.820 -0.229 0.000 2.014 209 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 209 A C 2.204 179.592 177.584 -0.328 0.000 1.163 209 A CA 1.052 52.629 52.037 -0.767 0.000 0.652 209 A CB -0.233 18.263 19.000 -0.839 0.000 0.808 209 A HN 0.459 nan 8.150 nan 0.000 0.449 210 Q N -0.501 119.194 119.800 -0.175 0.000 2.049 210 Q HA -0.028 4.311 4.340 -0.001 0.000 0.198 210 Q C 2.071 177.968 176.000 -0.171 0.000 0.971 210 Q CA 1.023 56.734 55.803 -0.153 0.000 0.833 210 Q CB -0.257 28.428 28.738 -0.087 0.000 0.896 210 Q HN 0.632 nan 8.270 nan 0.000 0.434 211 L N 0.685 121.827 121.223 -0.134 0.000 1.944 211 L HA -0.293 4.046 4.340 -0.001 0.000 0.218 211 L C 2.749 179.352 176.870 -0.444 0.000 1.075 211 L CA 1.938 56.638 54.840 -0.233 0.000 0.767 211 L CB -0.898 41.080 42.059 -0.135 0.000 0.890 211 L HN 0.375 nan 8.230 nan 0.000 0.434 212 S N -0.845 114.648 115.700 -0.345 0.000 2.409 212 S HA -0.234 4.235 4.470 -0.001 0.000 0.237 212 S C 1.810 176.286 174.600 -0.206 0.000 1.060 212 S CA 2.067 60.103 58.200 -0.274 0.000 1.052 212 S CB -0.916 62.677 63.200 0.654 0.000 0.871 212 S HN 0.254 nan 8.310 nan 0.000 0.465 213 V N 1.699 121.484 119.914 -0.214 0.000 2.453 213 V HA -0.070 4.049 4.120 -0.001 0.000 0.247 213 V C 2.864 178.806 176.094 -0.253 0.000 1.048 213 V CA 2.023 64.154 62.300 -0.281 0.000 1.049 213 V CB -0.668 30.924 31.823 -0.385 0.000 0.672 213 V HN 0.611 nan 8.190 nan 0.000 0.457 214 E N 0.226 120.254 120.200 -0.287 0.000 2.028 214 E HA -0.249 4.100 4.350 -0.001 0.000 0.191 214 E C 2.114 178.531 176.600 -0.306 0.000 0.988 214 E CA 1.255 57.504 56.400 -0.252 0.000 0.799 214 E CB 0.044 29.610 29.700 -0.223 0.000 0.755 214 E HN 0.346 nan 8.360 nan 0.000 0.447 215 K N -0.732 119.353 120.400 -0.524 0.000 2.439 215 K HA -0.007 4.312 4.320 -0.001 0.000 0.197 215 K C 0.794 177.074 176.600 -0.533 0.000 1.041 215 K CA 0.808 56.711 56.287 -0.640 0.000 0.970 215 K CB 0.085 31.890 32.500 -1.159 0.000 0.773 215 K HN 0.356 nan 8.250 nan 0.000 0.479 216 G N -0.114 108.445 108.800 -0.401 0.000 2.149 216 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.235 216 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.235 216 G C -0.535 174.418 174.900 0.089 0.000 1.018 216 G CA -0.163 44.868 45.100 -0.114 0.000 0.728 216 G HN 0.061 nan 8.290 nan 0.000 0.508 217 W N -0.582 120.795 121.300 0.128 0.000 2.359 217 W HA 0.707 5.366 4.660 -0.001 0.000 0.344 217 W C 0.459 177.094 176.519 0.193 0.000 1.170 217 W CA -1.724 55.703 57.345 0.136 0.000 1.296 217 W CB 0.649 30.178 29.460 0.115 0.000 1.197 217 W HN 0.062 nan 8.180 nan 0.000 0.618 218 L N 5.628 127.091 121.223 0.399 0.000 2.255 218 L HA 0.334 4.673 4.340 -0.001 0.000 0.289 218 L C -2.152 174.866 176.870 0.246 0.000 1.046 218 L CA -1.747 53.267 54.840 0.291 0.000 0.816 218 L CB 1.305 43.499 42.059 0.224 0.000 1.197 218 L HN -0.035 nan 8.230 nan 0.000 0.427 219 P HA 0.299 nan 4.420 nan 0.000 0.286 219 P C -1.192 176.203 177.300 0.158 0.000 1.261 219 P CA -0.429 62.788 63.100 0.195 0.000 0.821 219 P CB 1.732 33.599 31.700 0.278 0.000 1.013 220 L N 3.283 124.527 121.223 0.035 0.000 2.372 220 L HA 0.489 4.828 4.340 -0.001 0.000 0.274 220 L C -1.219 175.645 176.870 -0.010 0.000 0.988 220 L CA -0.788 54.104 54.840 0.087 0.000 0.833 220 L CB 0.590 42.685 42.059 0.060 0.000 1.236 220 L HN 0.163 nan 8.230 nan 0.000 0.410 221 F N 2.826 122.809 119.950 0.056 0.000 2.410 221 F HA 0.265 4.791 4.527 -0.001 0.000 0.349 221 F C 0.438 176.265 175.800 0.045 0.000 1.117 221 F CA -0.301 57.715 58.000 0.027 0.000 1.104 221 F CB 1.143 40.090 39.000 -0.089 0.000 1.122 221 F HN 0.380 nan 8.300 nan 0.000 0.483 222 D N 4.262 124.742 120.400 0.134 0.000 2.396 222 D HA 0.110 4.749 4.640 -0.001 0.000 0.225 222 D C -1.325 175.080 176.300 0.175 0.000 1.121 222 D CA -0.109 53.941 54.000 0.082 0.000 0.853 222 D CB 0.142 40.897 40.800 -0.075 0.000 1.043 222 D HN 0.155 nan 8.370 nan 0.000 0.500 223 F N 3.602 123.566 119.950 0.022 0.000 2.363 223 F HA 0.503 5.029 4.527 -0.001 0.000 0.366 223 F C 0.249 176.003 175.800 -0.078 0.000 1.083 223 F CA -1.436 56.574 58.000 0.016 0.000 1.176 223 F CB 0.762 39.754 39.000 -0.014 0.000 1.432 223 F HN 0.461 nan 8.300 nan 0.000 0.482 224 A N 3.571 126.454 122.820 0.106 0.000 2.431 224 A HA 0.204 4.523 4.320 -0.001 0.000 0.239 224 A C -0.296 177.077 177.584 -0.350 0.000 1.230 224 A CA 0.176 52.075 52.037 -0.230 0.000 0.928 224 A CB -0.185 18.578 19.000 -0.394 0.000 1.006 224 A HN 0.496 nan 8.150 nan 0.000 0.520 225 Y N 0.215 120.568 120.300 0.088 0.000 2.672 225 Y HA 0.296 4.845 4.550 -0.001 0.000 0.272 225 Y C 0.611 176.668 175.900 0.262 0.000 1.055 225 Y CA -0.609 57.609 58.100 0.196 0.000 1.151 225 Y CB 0.189 38.742 38.460 0.155 0.000 1.190 225 Y HN 0.395 nan 8.280 nan 0.000 0.574 226 Q N 0.803 120.605 119.800 0.002 0.000 2.244 226 Q HA 0.346 4.685 4.340 -0.001 0.000 0.278 226 Q C 1.109 177.117 176.000 0.013 0.000 1.093 226 Q CA 1.360 57.072 55.803 -0.151 0.000 0.916 226 Q CB 0.186 28.523 28.738 -0.668 0.000 1.159 226 Q HN 0.790 nan 8.270 nan 0.000 0.384 227 G N 3.361 112.180 108.800 0.032 0.000 2.201 227 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.212 227 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.212 227 G C 0.118 174.894 174.900 -0.207 0.000 0.994 227 G CA 0.027 45.037 45.100 -0.150 0.000 0.644 227 G HN 0.659 nan 8.290 nan 0.000 0.508 228 F N 1.176 121.171 119.950 0.074 0.000 2.749 228 F HA 0.594 5.120 4.527 -0.001 0.000 0.300 228 F C 2.389 178.232 175.800 0.073 0.000 1.103 228 F CA 1.085 59.131 58.000 0.077 0.000 1.342 228 F CB 0.321 39.408 39.000 0.145 0.000 1.098 228 F HN 0.348 nan 8.300 nan 0.000 0.586 229 A N 0.530 123.499 122.820 0.248 0.000 1.908 229 A HA 0.160 4.479 4.320 -0.001 0.000 0.217 229 A C 2.098 179.755 177.584 0.122 0.000 1.378 229 A CA 0.755 52.908 52.037 0.193 0.000 0.613 229 A CB -0.099 19.035 19.000 0.224 0.000 1.053 229 A HN 0.207 nan 8.150 nan 0.000 0.484 230 R N -2.171 118.389 120.500 0.101 0.000 2.320 230 R HA 0.399 4.738 4.340 -0.001 0.000 0.193 230 R C 0.622 176.926 176.300 0.007 0.000 0.885 230 R CA 0.641 56.774 56.100 0.055 0.000 1.085 230 R CB 1.010 31.351 30.300 0.070 0.000 1.253 230 R HN 0.625 nan 8.270 nan 0.000 0.636 234 E N 1.333 121.535 120.200 0.004 0.000 2.170 234 E HA -0.083 4.266 4.350 -0.001 0.000 0.191 234 E C 1.440 178.064 176.600 0.039 0.000 0.981 234 E CA 1.040 57.453 56.400 0.022 0.000 0.830 234 E CB 0.327 30.033 29.700 0.010 0.000 0.775 234 E HN 0.465 nan 8.360 nan 0.000 0.470 235 E N 1.378 121.603 120.200 0.040 0.000 2.077 235 E HA -0.155 4.195 4.350 -0.001 0.000 0.193 235 E C 1.547 178.203 176.600 0.093 0.000 0.989 235 E CA 1.181 57.615 56.400 0.058 0.000 0.800 235 E CB -0.059 29.674 29.700 0.056 0.000 0.746 235 E HN 0.126 nan 8.360 nan 0.000 0.452 236 D N -0.071 120.407 120.400 0.131 0.000 2.263 236 D HA -0.079 4.560 4.640 -0.001 0.000 0.208 236 D C 1.257 177.711 176.300 0.256 0.000 0.971 236 D CA 1.107 55.244 54.000 0.228 0.000 0.867 236 D CB -0.093 40.878 40.800 0.285 0.000 0.929 236 D HN 0.212 nan 8.370 nan 0.000 0.492 237 A N 0.285 123.211 122.820 0.177 0.000 2.275 237 A HA 0.018 4.337 4.320 -0.001 0.000 0.212 237 A C 1.773 179.284 177.584 -0.122 0.000 1.201 237 A CA 0.017 52.104 52.037 0.085 0.000 0.843 237 A CB -0.130 18.946 19.000 0.127 0.000 0.873 237 A HN 0.086 nan 8.150 nan 0.000 0.492 238 E N 0.184 120.322 120.200 -0.103 0.000 2.049 238 E HA -0.201 4.148 4.350 -0.001 0.000 0.198 238 E C 2.154 178.577 176.600 -0.295 0.000 1.007 238 E CA 1.223 57.547 56.400 -0.127 0.000 0.809 238 E CB -0.349 29.334 29.700 -0.028 0.000 0.749 238 E HN 0.592 nan 8.360 nan 0.000 0.450 239 G N 1.959 110.347 108.800 -0.687 0.000 2.480 239 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 239 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 239 G C 1.554 175.956 174.900 -0.829 0.000 1.200 239 G CA 0.589 44.862 45.100 -1.378 0.000 0.782 239 G HN 0.167 nan 8.290 nan 0.000 0.554 240 L N -0.023 120.587 121.223 -1.021 0.000 2.043 240 L HA -0.095 4.244 4.340 -0.001 0.000 0.212 240 L C 3.113 179.751 176.870 -0.387 0.000 1.075 240 L CA 1.562 55.746 54.840 -1.093 0.000 0.752 240 L CB -0.225 41.178 42.059 -1.095 0.000 0.891 240 L HN 0.229 nan 8.230 nan 0.000 0.432 241 R N -0.855 119.507 120.500 -0.229 0.000 2.115 241 R HA -0.074 4.265 4.340 -0.001 0.000 0.226 241 R C 2.273 178.585 176.300 0.019 0.000 1.100 241 R CA 1.062 57.145 56.100 -0.028 0.000 0.980 241 R CB -0.234 30.063 30.300 -0.006 0.000 0.875 241 R HN 0.451 nan 8.270 nan 0.000 0.445 242 A N 0.141 122.963 122.820 0.003 0.000 1.930 242 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 242 A C 1.740 179.400 177.584 0.127 0.000 1.175 242 A CA 1.012 53.087 52.037 0.063 0.000 0.627 242 A CB -0.420 18.631 19.000 0.086 0.000 0.815 242 A HN 0.193 nan 8.150 nan 0.000 0.443 243 F N 0.181 120.137 119.950 0.010 0.000 2.146 243 F HA -0.012 4.514 4.527 -0.001 0.000 0.298 243 F C 2.717 178.648 175.800 0.218 0.000 1.096 243 F CA 0.875 58.984 58.000 0.182 0.000 1.275 243 F CB -0.414 38.682 39.000 0.161 0.000 1.008 243 F HN 0.247 nan 8.300 nan 0.000 0.480 244 A N -0.388 122.589 122.820 0.262 0.000 2.070 244 A HA -0.008 4.312 4.320 -0.001 0.000 0.220 244 A C 2.311 179.945 177.584 0.084 0.000 1.159 244 A CA 1.471 53.601 52.037 0.156 0.000 0.656 244 A CB -1.099 17.962 19.000 0.102 0.000 0.800 244 A HN 0.293 nan 8.150 nan 0.000 0.453 245 A N -0.893 121.970 122.820 0.071 0.000 2.016 245 A HA 0.055 4.374 4.320 -0.001 0.000 0.217 245 A C 2.147 179.729 177.584 -0.002 0.000 1.162 245 A CA 1.457 53.505 52.037 0.019 0.000 0.662 245 A CB -0.311 18.694 19.000 0.009 0.000 0.812 245 A HN 0.478 nan 8.150 nan 0.000 0.450 246 M N -0.964 118.635 119.600 -0.002 0.000 2.429 246 M HA 0.115 4.594 4.480 -0.001 0.000 0.265 246 M C 0.249 176.455 176.300 -0.157 0.000 1.120 246 M CA 0.535 55.760 55.300 -0.125 0.000 1.173 246 M CB -0.978 31.458 32.600 -0.273 0.000 1.343 246 M HN 0.375 nan 8.290 nan 0.000 0.464 247 H N 0.641 119.729 119.070 0.031 0.000 2.629 247 H HA 0.074 4.629 4.556 -0.001 0.000 0.357 247 H C 0.899 176.258 175.328 0.052 0.000 1.121 247 H CA 0.463 56.557 56.048 0.076 0.000 1.406 247 H CB 1.260 31.132 29.762 0.183 0.000 1.456 247 H HN -0.054 nan 8.280 nan 0.000 0.579 248 K N 0.803 121.314 120.400 0.186 0.000 2.202 248 K HA 0.098 4.417 4.320 -0.001 0.000 0.201 248 K C -0.409 176.272 176.600 0.135 0.000 1.051 248 K CA 0.781 57.135 56.287 0.113 0.000 0.977 248 K CB 0.689 33.244 32.500 0.091 0.000 0.792 248 K HN 0.666 nan 8.250 nan 0.000 0.469 249 E N -0.205 120.117 120.200 0.204 0.000 2.293 249 E HA 0.490 4.839 4.350 -0.001 0.000 0.270 249 E C -1.618 175.116 176.600 0.223 0.000 0.879 249 E CA -0.772 55.744 56.400 0.193 0.000 0.756 249 E CB 2.454 32.269 29.700 0.193 0.000 1.208 249 E HN -0.044 nan 8.360 nan 0.000 0.428 250 L N 2.267 123.610 121.223 0.201 0.000 2.582 250 L HA 0.490 4.829 4.340 -0.001 0.000 0.257 250 L C -1.929 175.078 176.870 0.228 0.000 0.974 250 L CA -0.621 54.351 54.840 0.220 0.000 0.851 250 L CB 1.941 44.129 42.059 0.214 0.000 1.424 250 L HN 0.497 nan 8.230 nan 0.000 0.412 251 I N 3.499 124.220 120.570 0.251 0.000 2.509 251 I HA 0.590 4.759 4.170 -0.001 0.000 0.293 251 I C -0.973 175.300 176.117 0.260 0.000 1.020 251 I CA -0.780 60.663 61.300 0.238 0.000 1.088 251 I CB 1.895 40.038 38.000 0.238 0.000 1.267 251 I HN 0.198 nan 8.210 nan 0.000 0.430 252 V N 4.246 124.294 119.914 0.224 0.000 2.577 252 V HA 0.682 4.801 4.120 -0.001 0.000 0.303 252 V C 0.055 176.248 176.094 0.165 0.000 1.042 252 V CA -0.668 61.757 62.300 0.208 0.000 0.872 252 V CB 1.805 33.712 31.823 0.140 0.000 0.998 252 V HN 0.870 nan 8.190 nan 0.000 0.423 253 A N 3.628 126.550 122.820 0.170 0.000 2.293 253 A HA 0.840 5.160 4.320 -0.001 0.000 0.312 253 A C 0.158 177.794 177.584 0.087 0.000 1.309 253 A CA -0.342 51.772 52.037 0.127 0.000 0.839 253 A CB 0.817 19.902 19.000 0.142 0.000 1.155 253 A HN 1.008 nan 8.150 nan 0.000 0.501 254 S N 1.326 117.032 115.700 0.011 0.000 2.689 254 S HA 0.883 5.353 4.470 -0.001 0.000 0.306 254 S C -0.063 174.415 174.600 -0.204 0.000 1.104 254 S CA -0.454 57.679 58.200 -0.112 0.000 0.973 254 S CB 1.754 64.809 63.200 -0.242 0.000 1.121 254 S HN 1.312 nan 8.310 nan 0.000 0.523 255 S N -0.557 114.940 115.700 -0.338 0.000 2.569 255 S HA 0.626 5.096 4.470 -0.001 0.000 0.280 255 S C -1.540 172.794 174.600 -0.445 0.000 1.111 255 S CA -0.608 57.415 58.200 -0.296 0.000 0.887 255 S CB 0.934 64.017 63.200 -0.196 0.000 1.095 255 S HN 0.693 nan 8.310 nan 0.000 0.476 256 Y N 1.646 121.910 120.300 -0.060 0.000 2.612 256 Y HA 0.335 4.884 4.550 -0.001 0.000 0.250 256 Y C 2.128 178.010 175.900 -0.029 0.000 1.175 256 Y CA -0.214 57.867 58.100 -0.033 0.000 1.205 256 Y CB 0.282 38.620 38.460 -0.203 0.000 1.201 256 Y HN 0.595 nan 8.280 nan 0.000 0.532 257 S N 0.235 115.941 115.700 0.011 0.000 2.368 257 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 257 S C 1.815 176.223 174.600 -0.321 0.000 1.030 257 S CA 1.740 59.875 58.200 -0.109 0.000 0.999 257 S CB 0.028 63.228 63.200 0.000 0.000 0.844 257 S HN 0.389 nan 8.310 nan 0.000 0.459 258 K N 1.597 121.920 120.400 -0.129 0.000 2.168 258 K HA 0.125 4.444 4.320 -0.001 0.000 0.201 258 K C 1.745 178.521 176.600 0.294 0.000 1.049 258 K CA 0.941 57.207 56.287 -0.035 0.000 0.974 258 K CB -0.202 32.179 32.500 -0.199 0.000 0.792 258 K HN 0.550 nan 8.250 nan 0.000 0.463 259 N N -0.327 118.612 118.700 0.400 0.000 2.512 259 N HA -0.101 4.638 4.740 -0.001 0.000 0.183 259 N C 0.580 176.232 175.510 0.237 0.000 1.073 259 N CA 0.752 54.021 53.050 0.366 0.000 0.911 259 N CB 0.053 38.722 38.487 0.303 0.000 0.964 259 N HN 0.066 nan 8.380 nan 0.000 0.447 260 F N -0.136 119.889 119.950 0.125 0.000 2.706 260 F HA 0.389 4.916 4.527 -0.001 0.000 0.313 260 F C 1.477 177.222 175.800 -0.093 0.000 1.096 260 F CA -0.120 57.894 58.000 0.024 0.000 1.219 260 F CB 0.726 39.649 39.000 -0.129 0.000 1.051 260 F HN 0.080 nan 8.300 nan 0.000 0.568 261 G N 1.505 110.242 108.800 -0.105 0.000 2.283 261 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.280 261 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.280 261 G C 0.522 175.210 174.900 -0.352 0.000 1.029 261 G CA 0.390 45.272 45.100 -0.364 0.000 0.840 261 G HN 0.427 nan 8.290 nan 0.000 0.505 262 L N -0.430 120.600 121.223 -0.322 0.000 2.928 262 L HA 0.268 4.607 4.340 -0.001 0.000 0.246 262 L C 2.143 178.970 176.870 -0.072 0.000 1.239 262 L CA -0.794 53.977 54.840 -0.116 0.000 1.035 262 L CB -0.310 41.721 42.059 -0.048 0.000 1.360 262 L HN 0.321 nan 8.230 nan 0.000 0.529 263 Y N 0.637 120.976 120.300 0.065 0.000 2.038 263 Y HA -0.452 4.097 4.550 -0.001 0.000 0.266 263 Y C 2.337 178.253 175.900 0.026 0.000 1.220 263 Y CA 2.357 60.482 58.100 0.041 0.000 1.107 263 Y CB -1.015 37.463 38.460 0.031 0.000 0.932 263 Y HN 0.547 nan 8.280 nan 0.000 0.500 264 N N -0.639 118.181 118.700 0.200 0.000 2.461 264 N HA -0.085 4.654 4.740 -0.001 0.000 0.188 264 N C 0.895 176.439 175.510 0.056 0.000 1.134 264 N CA 0.546 53.660 53.050 0.106 0.000 0.878 264 N CB -0.021 38.516 38.487 0.084 0.000 0.972 264 N HN 0.382 nan 8.380 nan 0.000 0.456 265 E N 0.953 121.183 120.200 0.050 0.000 2.442 265 E HA 0.014 4.363 4.350 -0.001 0.000 0.195 265 E C -0.175 176.417 176.600 -0.013 0.000 1.030 265 E CA 0.026 56.442 56.400 0.026 0.000 0.869 265 E CB 0.142 29.873 29.700 0.052 0.000 0.857 265 E HN 0.264 nan 8.360 nan 0.000 0.505 266 R N -0.061 120.437 120.500 -0.004 0.000 2.717 266 R HA -0.118 4.221 4.340 -0.001 0.000 0.298 266 R C -0.799 175.471 176.300 -0.050 0.000 0.971 266 R CA 0.216 56.302 56.100 -0.023 0.000 0.773 266 R CB -2.944 27.323 30.300 -0.054 0.000 2.073 266 R HN -0.077 nan 8.270 nan 0.000 0.494 267 V N 0.676 120.584 119.914 -0.010 0.000 2.444 267 V HA 0.925 5.044 4.120 -0.001 0.000 0.294 267 V C 1.047 177.235 176.094 0.156 0.000 1.022 267 V CA 0.026 62.339 62.300 0.021 0.000 0.850 267 V CB 2.192 34.023 31.823 0.014 0.000 0.992 267 V HN 0.823 nan 8.190 nan 0.000 0.426 268 G N 2.651 111.562 108.800 0.185 0.000 2.606 268 G HA2 0.921 4.880 3.960 -0.001 0.000 0.300 268 G HA3 0.921 4.880 3.960 -0.001 0.000 0.300 268 G C -1.446 173.627 174.900 0.288 0.000 1.360 268 G CA -0.039 45.176 45.100 0.192 0.000 0.783 268 G HN 1.199 nan 8.290 nan 0.000 0.484 269 A N -1.812 121.123 122.820 0.191 0.000 2.606 269 A HA 0.703 5.022 4.320 -0.001 0.000 0.293 269 A C -1.304 176.368 177.584 0.145 0.000 1.082 269 A CA -0.223 51.957 52.037 0.238 0.000 0.685 269 A CB 1.474 20.647 19.000 0.289 0.000 1.284 269 A HN 1.967 nan 8.150 nan 0.000 0.408 270 C N 1.447 120.850 119.300 0.172 0.000 2.344 270 C HA 0.784 5.243 4.460 -0.001 0.000 0.326 270 C C -0.131 174.957 174.990 0.163 0.000 1.201 270 C CA 0.022 59.134 59.018 0.156 0.000 1.410 270 C CB -0.324 27.508 27.740 0.154 0.000 2.070 270 C HN 0.811 nan 8.230 nan 0.000 0.445 271 T N 6.767 121.404 114.554 0.138 0.000 2.794 271 T HA 0.431 4.780 4.350 -0.001 0.000 0.280 271 T C -0.618 174.167 174.700 0.141 0.000 0.987 271 T CA -0.286 61.893 62.100 0.133 0.000 0.993 271 T CB 1.098 70.056 68.868 0.150 0.000 0.939 271 T HN 0.638 nan 8.240 nan 0.000 0.449 272 L N 4.461 125.737 121.223 0.088 0.000 2.307 272 L HA 0.692 5.031 4.340 -0.001 0.000 0.284 272 L C -1.068 175.838 176.870 0.060 0.000 1.023 272 L CA -0.713 54.175 54.840 0.080 0.000 0.810 272 L CB 1.498 43.590 42.059 0.056 0.000 1.231 272 L HN 0.407 nan 8.230 nan 0.000 0.423 273 V N 3.892 123.860 119.914 0.090 0.000 2.604 273 V HA 0.823 4.943 4.120 -0.001 0.000 0.305 273 V C 0.051 176.188 176.094 0.072 0.000 1.043 273 V CA -0.489 61.836 62.300 0.041 0.000 0.888 273 V CB 1.573 33.404 31.823 0.014 0.000 0.995 273 V HN 0.933 nan 8.190 nan 0.000 0.429 274 A N 2.923 125.769 122.820 0.044 0.000 2.483 274 A HA 0.907 5.227 4.320 -0.001 0.000 0.286 274 A C 0.924 178.531 177.584 0.039 0.000 1.207 274 A CA 0.049 52.127 52.037 0.068 0.000 0.764 274 A CB 1.345 20.395 19.000 0.084 0.000 1.341 274 A HN 1.208 nan 8.150 nan 0.000 0.428 275 A N -0.570 122.278 122.820 0.047 0.000 2.119 275 A HA 0.341 4.660 4.320 -0.001 0.000 0.217 275 A C 0.427 178.018 177.584 0.012 0.000 1.153 275 A CA 2.027 54.080 52.037 0.027 0.000 0.692 275 A CB -0.682 18.337 19.000 0.032 0.000 0.799 275 A HN 1.061 nan 8.150 nan 0.000 0.458 276 D N -4.539 115.871 120.400 0.017 0.000 2.615 276 D HA 0.299 4.938 4.640 -0.001 0.000 0.267 276 D C 0.506 176.812 176.300 0.009 0.000 1.236 276 D CA 0.117 54.122 54.000 0.008 0.000 0.839 276 D CB 0.408 41.215 40.800 0.011 0.000 1.380 276 D HN -0.174 nan 8.370 nan 0.000 0.433 277 S N -0.478 115.223 115.700 0.002 0.000 2.353 277 S HA -0.272 4.197 4.470 -0.001 0.000 0.222 277 S C 1.501 176.112 174.600 0.019 0.000 1.035 277 S CA 2.105 60.306 58.200 0.002 0.000 1.025 277 S CB -0.478 62.721 63.200 -0.002 0.000 0.902 277 S HN 0.582 nan 8.310 nan 0.000 0.440 278 E N -0.541 119.674 120.200 0.024 0.000 2.085 278 E HA -0.159 4.190 4.350 -0.001 0.000 0.194 278 E C 1.918 178.549 176.600 0.051 0.000 0.994 278 E CA 1.765 58.186 56.400 0.036 0.000 0.801 278 E CB -0.381 29.339 29.700 0.032 0.000 0.743 278 E HN 0.591 nan 8.360 nan 0.000 0.453 279 T N 0.610 115.195 114.554 0.052 0.000 2.737 279 T HA -0.132 4.217 4.350 -0.001 0.000 0.265 279 T C 1.882 176.636 174.700 0.091 0.000 1.038 279 T CA 1.164 63.306 62.100 0.071 0.000 1.144 279 T CB -0.396 68.512 68.868 0.067 0.000 0.866 279 T HN 0.095 nan 8.240 nan 0.000 0.434 280 V N 1.941 121.897 119.914 0.071 0.000 2.392 280 V HA -0.208 3.911 4.120 -0.001 0.000 0.249 280 V C 2.090 178.249 176.094 0.109 0.000 1.059 280 V CA 2.035 64.382 62.300 0.077 0.000 1.051 280 V CB -0.595 31.237 31.823 0.016 0.000 0.658 280 V HN 0.389 nan 8.190 nan 0.000 0.455 281 D N -0.329 120.123 120.400 0.087 0.000 2.092 281 D HA -0.191 4.448 4.640 -0.001 0.000 0.193 281 D C 2.378 178.770 176.300 0.152 0.000 0.994 281 D CA 1.653 55.722 54.000 0.116 0.000 0.828 281 D CB -0.293 40.553 40.800 0.077 0.000 0.963 281 D HN 0.387 nan 8.370 nan 0.000 0.450 282 R N 0.228 120.803 120.500 0.124 0.000 2.081 282 R HA -0.045 4.295 4.340 -0.001 0.000 0.235 282 R C 2.245 178.643 176.300 0.165 0.000 1.131 282 R CA 1.277 57.451 56.100 0.122 0.000 0.960 282 R CB -0.209 30.151 30.300 0.100 0.000 0.856 282 R HN 0.115 nan 8.270 nan 0.000 0.436 283 A N 0.098 123.038 122.820 0.200 0.000 1.902 283 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 283 A C 1.915 179.668 177.584 0.282 0.000 1.181 283 A CA 1.171 53.381 52.037 0.288 0.000 0.623 283 A CB -0.627 18.562 19.000 0.315 0.000 0.818 283 A HN 0.418 nan 8.150 nan 0.000 0.443 284 F N 1.640 121.616 119.950 0.043 0.000 2.407 284 F HA -0.098 4.428 4.527 -0.001 0.000 0.299 284 F C 2.631 178.437 175.800 0.011 0.000 1.097 284 F CA 1.323 59.306 58.000 -0.029 0.000 1.422 284 F CB -0.164 38.822 39.000 -0.025 0.000 1.067 284 F HN 0.331 nan 8.300 nan 0.000 0.539 285 S N -0.555 115.195 115.700 0.083 0.000 2.382 285 S HA -0.215 4.254 4.470 -0.001 0.000 0.228 285 S C 1.881 176.461 174.600 -0.033 0.000 1.027 285 S CA 1.010 59.209 58.200 -0.002 0.000 0.991 285 S CB -0.540 62.691 63.200 0.053 0.000 0.823 285 S HN 0.449 nan 8.310 nan 0.000 0.469 286 Q N 0.528 120.369 119.800 0.068 0.000 2.123 286 Q HA 0.094 4.433 4.340 -0.001 0.000 0.199 286 Q C 2.145 178.226 176.000 0.134 0.000 0.966 286 Q CA 1.269 57.157 55.803 0.141 0.000 0.845 286 Q CB -0.465 28.431 28.738 0.263 0.000 0.907 286 Q HN 0.736 nan 8.270 nan 0.000 0.439 287 M N 0.688 120.271 119.600 -0.027 0.000 2.117 287 M HA -0.187 4.292 4.480 -0.001 0.000 0.262 287 M C 1.748 177.868 176.300 -0.298 0.000 1.065 287 M CA 1.563 56.717 55.300 -0.243 0.000 1.114 287 M CB 0.109 32.364 32.600 -0.575 0.000 1.361 287 M HN -0.034 nan 8.290 nan 0.000 0.408 288 K N 0.183 120.321 120.400 -0.437 0.000 2.057 288 K HA -0.094 4.225 4.320 -0.001 0.000 0.207 288 K C 1.998 178.478 176.600 -0.200 0.000 1.049 288 K CA 1.484 57.557 56.287 -0.358 0.000 0.931 288 K CB -0.393 31.893 32.500 -0.358 0.000 0.714 288 K HN 0.449 nan 8.250 nan 0.000 0.440 289 A N 1.468 124.210 122.820 -0.130 0.000 1.940 289 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 289 A C 2.357 179.893 177.584 -0.081 0.000 1.176 289 A CA 1.937 53.925 52.037 -0.081 0.000 0.631 289 A CB -0.751 18.228 19.000 -0.034 0.000 0.814 289 A HN 0.347 nan 8.150 nan 0.000 0.446 290 A N -0.399 122.388 122.820 -0.055 0.000 1.969 290 A HA -0.013 4.307 4.320 -0.001 0.000 0.218 290 A C 2.070 179.568 177.584 -0.143 0.000 1.169 290 A CA 1.406 53.414 52.037 -0.047 0.000 0.635 290 A CB -0.520 18.505 19.000 0.042 0.000 0.810 290 A HN 0.507 nan 8.150 nan 0.000 0.445 291 I N -0.750 119.693 120.570 -0.213 0.000 2.286 291 I HA -0.223 3.946 4.170 -0.001 0.000 0.245 291 I C 2.603 178.474 176.117 -0.410 0.000 1.104 291 I CA 1.540 62.602 61.300 -0.396 0.000 1.397 291 I CB -0.255 37.534 38.000 -0.351 0.000 1.072 291 I HN 0.436 nan 8.210 nan 0.000 0.417 292 R N 1.979 122.328 120.500 -0.252 0.000 2.117 292 R HA -0.179 4.160 4.340 -0.001 0.000 0.243 292 R C 2.028 178.227 176.300 -0.168 0.000 1.143 292 R CA 1.911 57.896 56.100 -0.192 0.000 0.968 292 R CB -0.396 29.824 30.300 -0.134 0.000 0.863 292 R HN 0.315 nan 8.270 nan 0.000 0.444 293 A N -0.084 122.646 122.820 -0.149 0.000 2.235 293 A HA -0.004 4.315 4.320 -0.001 0.000 0.208 293 A C 1.380 178.894 177.584 -0.117 0.000 1.172 293 A CA 0.720 52.693 52.037 -0.107 0.000 0.786 293 A CB -0.399 18.557 19.000 -0.074 0.000 0.804 293 A HN 0.509 nan 8.150 nan 0.000 0.479 294 N N -0.720 117.858 118.700 -0.204 0.000 2.378 294 N HA 0.068 4.807 4.740 -0.001 0.000 0.225 294 N C 1.032 176.453 175.510 -0.148 0.000 1.153 294 N CA 1.216 54.148 53.050 -0.196 0.000 1.134 294 N CB -0.211 38.118 38.487 -0.265 0.000 1.490 294 N HN 0.347 nan 8.380 nan 0.000 0.541 295 Y N -0.962 119.330 120.300 -0.013 0.000 2.458 295 Y HA 0.554 5.103 4.550 -0.002 0.000 0.256 295 Y C 1.411 177.304 175.900 -0.013 0.000 1.159 295 Y CA 0.375 58.470 58.100 -0.008 0.000 1.261 295 Y CB -0.173 38.285 38.460 -0.002 0.000 1.119 295 Y HN 0.255 nan 8.280 nan 0.000 0.524 296 S N 0.375 115.963 115.700 -0.187 0.000 1.480 296 S HA -0.259 4.210 4.470 -0.001 0.000 0.244 296 S C 0.395 174.991 174.600 -0.007 0.000 0.702 296 S CA 1.655 59.798 58.200 -0.096 0.000 1.288 296 S CB -1.866 61.302 63.200 -0.054 0.000 1.411 296 S HN 1.323 nan 8.310 nan 0.000 0.505 297 S N 1.929 117.753 115.700 0.207 0.000 2.550 297 S HA 0.781 5.251 4.470 -0.001 0.000 0.270 297 S C -3.395 171.378 174.600 0.287 0.000 1.145 297 S CA -0.811 57.522 58.200 0.222 0.000 0.852 297 S CB 2.498 65.778 63.200 0.132 0.000 1.119 297 S HN 0.534 nan 8.310 nan 0.000 0.465 298 P HA 0.477 nan 4.420 nan 0.000 0.278 298 P C -2.834 174.428 177.300 -0.064 0.000 1.258 298 P CA -1.724 61.354 63.100 -0.036 0.000 0.811 298 P CB -0.591 31.055 31.700 -0.090 0.000 1.063 299 P HA 0.137 nan 4.420 nan 0.000 0.276 299 P C 0.387 177.622 177.300 -0.109 0.000 1.243 299 P CA -0.030 63.014 63.100 -0.094 0.000 0.768 299 P CB 0.624 32.263 31.700 -0.103 0.000 0.856 300 A N 3.442 126.219 122.820 -0.072 0.000 1.872 300 A HA -0.212 4.107 4.320 -0.001 0.000 0.214 300 A C 2.084 179.617 177.584 -0.084 0.000 1.187 300 A CA 1.675 53.658 52.037 -0.089 0.000 0.614 300 A CB -1.653 17.313 19.000 -0.058 0.000 0.826 300 A HN 0.651 nan 8.150 nan 0.000 0.442 301 H N -0.333 118.669 119.070 -0.113 0.000 2.306 301 H HA -0.204 4.351 4.556 -0.001 0.000 0.289 301 H C 2.236 177.490 175.328 -0.123 0.000 1.081 301 H CA 2.926 58.914 56.048 -0.099 0.000 1.163 301 H CB -0.768 28.948 29.762 -0.076 0.000 1.357 301 H HN 0.349 nan 8.280 nan 0.000 0.524 302 G N -0.516 108.220 108.800 -0.107 0.000 2.476 302 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.218 302 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.218 302 G C 1.891 176.608 174.900 -0.305 0.000 1.164 302 G CA 1.532 46.512 45.100 -0.200 0.000 0.768 302 G HN 0.695 nan 8.290 nan 0.000 0.560 303 A N 0.482 123.105 122.820 -0.328 0.000 1.972 303 A HA 0.054 4.374 4.320 -0.001 0.000 0.219 303 A C 2.688 180.096 177.584 -0.294 0.000 1.169 303 A CA 2.190 53.963 52.037 -0.440 0.000 0.635 303 A CB -0.458 18.066 19.000 -0.794 0.000 0.810 303 A HN 0.328 nan 8.150 nan 0.000 0.446 304 S N -0.456 115.086 115.700 -0.264 0.000 2.402 304 S HA -0.099 4.371 4.470 -0.001 0.000 0.229 304 S C 1.825 176.290 174.600 -0.225 0.000 1.021 304 S CA 1.232 59.316 58.200 -0.193 0.000 0.974 304 S CB -0.352 62.753 63.200 -0.157 0.000 0.800 304 S HN 0.342 nan 8.310 nan 0.000 0.484 305 V N 1.437 121.160 119.914 -0.319 0.000 2.343 305 V HA -0.129 3.991 4.120 -0.001 0.000 0.247 305 V C 2.288 178.175 176.094 -0.345 0.000 1.051 305 V CA 1.388 63.503 62.300 -0.309 0.000 1.036 305 V CB -0.592 31.026 31.823 -0.341 0.000 0.654 305 V HN 0.344 nan 8.190 nan 0.000 0.451 306 V N 0.067 119.684 119.914 -0.494 0.000 2.358 306 V HA -0.191 3.928 4.120 -0.001 0.000 0.246 306 V C 2.627 178.423 176.094 -0.497 0.000 1.047 306 V CA 1.873 63.703 62.300 -0.784 0.000 1.035 306 V CB -0.887 30.221 31.823 -1.193 0.000 0.658 306 V HN 0.557 nan 8.190 nan 0.000 0.452 307 A N -0.575 122.079 122.820 -0.275 0.000 1.930 307 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 307 A C 2.379 179.852 177.584 -0.185 0.000 1.175 307 A CA 2.226 54.152 52.037 -0.185 0.000 0.627 307 A CB -0.832 18.134 19.000 -0.057 0.000 0.815 307 A HN 0.482 nan 8.150 nan 0.000 0.443 308 T N 0.461 114.901 114.554 -0.191 0.000 2.652 308 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 308 T C 1.796 176.376 174.700 -0.201 0.000 1.039 308 T CA 1.718 63.698 62.100 -0.201 0.000 1.153 308 T CB -0.403 68.351 68.868 -0.189 0.000 0.863 308 T HN 0.425 nan 8.240 nan 0.000 0.428 309 I N 0.550 121.009 120.570 -0.186 0.000 2.226 309 I HA -0.106 4.063 4.170 -0.001 0.000 0.245 309 I C 2.149 178.195 176.117 -0.119 0.000 1.100 309 I CA 1.162 62.383 61.300 -0.131 0.000 1.374 309 I CB -0.273 37.667 38.000 -0.100 0.000 1.057 309 I HN 0.203 nan 8.210 nan 0.000 0.413 310 L N 0.019 121.135 121.223 -0.178 0.000 2.313 310 L HA -0.094 4.245 4.340 -0.001 0.000 0.214 310 L C 2.427 179.242 176.870 -0.093 0.000 1.119 310 L CA 1.170 55.927 54.840 -0.138 0.000 0.809 310 L CB -0.425 41.506 42.059 -0.213 0.000 0.933 310 L HN 0.339 nan 8.230 nan 0.000 0.449 311 S N -2.079 113.554 115.700 -0.112 0.000 2.548 311 S HA -0.028 4.441 4.470 -0.001 0.000 0.215 311 S C 0.606 175.155 174.600 -0.084 0.000 0.976 311 S CA -0.439 57.707 58.200 -0.090 0.000 0.908 311 S CB -0.408 62.736 63.200 -0.094 0.000 0.781 311 S HN 0.440 nan 8.310 nan 0.000 0.519 312 N N 0.587 119.232 118.700 -0.092 0.000 2.446 312 N HA 0.311 5.050 4.740 -0.001 0.000 0.265 312 N C -0.310 175.173 175.510 -0.045 0.000 0.975 312 N CA -0.398 52.601 53.050 -0.086 0.000 0.928 312 N CB 1.300 39.706 38.487 -0.134 0.000 1.160 312 N HN -0.171 nan 8.380 nan 0.000 0.495 313 D N 2.525 122.905 120.400 -0.033 0.000 2.116 313 D HA -0.204 4.436 4.640 -0.001 0.000 0.193 313 D C 1.657 177.952 176.300 -0.009 0.000 0.998 313 D CA 1.803 55.794 54.000 -0.015 0.000 0.836 313 D CB -0.060 40.730 40.800 -0.016 0.000 0.951 313 D HN 0.661 nan 8.370 nan 0.000 0.449 314 A N -0.065 122.744 122.820 -0.018 0.000 1.930 314 A HA 0.005 4.325 4.320 -0.001 0.000 0.215 314 A C 2.246 179.829 177.584 -0.001 0.000 1.176 314 A CA 0.550 52.580 52.037 -0.012 0.000 0.632 314 A CB -0.603 18.386 19.000 -0.018 0.000 0.819 314 A HN 0.181 nan 8.150 nan 0.000 0.445 315 L N -0.957 120.260 121.223 -0.010 0.000 2.083 315 L HA -0.152 4.187 4.340 -0.001 0.000 0.209 315 L C 2.757 179.669 176.870 0.070 0.000 1.083 315 L CA 1.643 56.488 54.840 0.009 0.000 0.752 315 L CB -0.379 41.659 42.059 -0.034 0.000 0.899 315 L HN 0.460 nan 8.230 nan 0.000 0.433 316 R N 0.198 120.740 120.500 0.069 0.000 2.120 316 R HA -0.165 4.175 4.340 -0.001 0.000 0.234 316 R C 2.246 178.633 176.300 0.144 0.000 1.123 316 R CA 1.302 57.501 56.100 0.164 0.000 0.975 316 R CB -0.131 30.245 30.300 0.126 0.000 0.866 316 R HN 0.345 nan 8.270 nan 0.000 0.446 317 A N 0.860 123.711 122.820 0.051 0.000 1.872 317 A HA -0.085 4.235 4.320 -0.001 0.000 0.214 317 A C 2.107 179.673 177.584 -0.030 0.000 1.187 317 A CA 1.248 53.281 52.037 -0.006 0.000 0.614 317 A CB -0.439 18.551 19.000 -0.016 0.000 0.826 317 A HN 0.331 nan 8.150 nan 0.000 0.442 318 I N -2.048 118.522 120.570 -0.000 0.000 2.208 318 I HA -0.296 3.873 4.170 -0.001 0.000 0.245 318 I C 2.416 178.510 176.117 -0.039 0.000 1.097 318 I CA 1.803 63.093 61.300 -0.016 0.000 1.363 318 I CB -0.367 37.639 38.000 0.011 0.000 1.051 318 I HN 0.745 nan 8.210 nan 0.000 0.413 319 W N 2.409 123.621 121.300 -0.147 0.000 2.332 319 W HA -0.228 4.432 4.660 -0.001 0.000 0.321 319 W C 2.438 178.801 176.519 -0.260 0.000 1.219 319 W CA 1.742 58.948 57.345 -0.231 0.000 1.277 319 W CB -0.460 28.832 29.460 -0.280 0.000 1.161 319 W HN 0.058 nan 8.180 nan 0.000 0.476 320 E N -0.226 119.571 120.200 -0.672 0.000 2.171 320 E HA -0.353 3.996 4.350 -0.001 0.000 0.197 320 E C 1.936 178.178 176.600 -0.595 0.000 0.997 320 E CA 1.795 57.683 56.400 -0.853 0.000 0.810 320 E CB -0.445 28.963 29.700 -0.487 0.000 0.738 320 E HN 0.373 nan 8.360 nan 0.000 0.467 321 Q N 1.212 120.782 119.800 -0.384 0.000 2.083 321 Q HA -0.136 4.203 4.340 -0.001 0.000 0.198 321 Q C 1.695 177.517 176.000 -0.296 0.000 0.969 321 Q CA 1.436 57.073 55.803 -0.277 0.000 0.838 321 Q CB 0.092 28.729 28.738 -0.168 0.000 0.900 321 Q HN 0.289 nan 8.270 nan 0.000 0.436 322 E N -0.088 119.924 120.200 -0.312 0.000 2.058 322 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 322 E C 1.920 178.284 176.600 -0.395 0.000 0.997 322 E CA 1.214 57.445 56.400 -0.282 0.000 0.801 322 E CB -0.288 29.289 29.700 -0.205 0.000 0.746 322 E HN 0.282 nan 8.360 nan 0.000 0.450 323 L N 1.226 122.089 121.223 -0.600 0.000 2.012 323 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 323 L C 2.301 178.849 176.870 -0.537 0.000 1.073 323 L CA 1.998 56.425 54.840 -0.689 0.000 0.748 323 L CB -0.799 40.667 42.059 -0.988 0.000 0.891 323 L HN 0.023 nan 8.230 nan 0.000 0.431 324 T N -0.440 113.845 114.554 -0.448 0.000 2.759 324 T HA -0.167 4.182 4.350 -0.001 0.000 0.269 324 T C 1.443 176.015 174.700 -0.212 0.000 1.042 324 T CA 1.521 63.441 62.100 -0.299 0.000 1.140 324 T CB -0.364 68.358 68.868 -0.243 0.000 0.864 324 T HN 0.421 nan 8.240 nan 0.000 0.455 325 D N 0.868 121.144 120.400 -0.207 0.000 2.144 325 D HA 0.011 4.650 4.640 -0.001 0.000 0.200 325 D C 2.104 178.353 176.300 -0.085 0.000 0.978 325 D CA 0.894 54.821 54.000 -0.121 0.000 0.833 325 D CB -0.272 40.468 40.800 -0.100 0.000 0.961 325 D HN 0.403 nan 8.370 nan 0.000 0.470 326 M N 0.153 119.627 119.600 -0.210 0.000 2.067 326 M HA -0.132 4.347 4.480 -0.001 0.000 0.260 326 M C 2.383 178.728 176.300 0.075 0.000 1.069 326 M CA 1.189 56.365 55.300 -0.208 0.000 1.117 326 M CB -0.260 31.991 32.600 -0.582 0.000 1.334 326 M HN -0.087 nan 8.290 nan 0.000 0.407 327 R N 0.681 121.150 120.500 -0.052 0.000 2.103 327 R HA -0.213 4.126 4.340 -0.001 0.000 0.242 327 R C 1.970 178.310 176.300 0.067 0.000 1.142 327 R CA 1.944 58.070 56.100 0.043 0.000 0.960 327 R CB -0.216 30.038 30.300 -0.078 0.000 0.858 327 R HN 0.520 nan 8.270 nan 0.000 0.439 328 Q N -0.450 119.363 119.800 0.021 0.000 2.119 328 Q HA -0.136 4.204 4.340 -0.001 0.000 0.201 328 Q C 2.237 178.278 176.000 0.068 0.000 0.972 328 Q CA 1.268 57.089 55.803 0.031 0.000 0.847 328 Q CB -0.107 28.630 28.738 -0.002 0.000 0.903 328 Q HN 0.299 nan 8.270 nan 0.000 0.433 329 R N 0.693 121.259 120.500 0.110 0.000 2.120 329 R HA -0.118 4.222 4.340 -0.001 0.000 0.234 329 R C 2.011 178.379 176.300 0.114 0.000 1.123 329 R CA 0.995 57.172 56.100 0.129 0.000 0.975 329 R CB -0.082 30.345 30.300 0.212 0.000 0.866 329 R HN 0.260 nan 8.270 nan 0.000 0.446 330 I N 0.900 121.562 120.570 0.153 0.000 2.202 330 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 330 I C 2.286 178.446 176.117 0.072 0.000 1.091 330 I CA 1.213 62.579 61.300 0.110 0.000 1.368 330 I CB -0.452 37.641 38.000 0.155 0.000 1.058 330 I HN 0.235 nan 8.210 nan 0.000 0.410 331 Q N 0.782 120.629 119.800 0.078 0.000 2.234 331 Q HA -0.222 4.117 4.340 -0.001 0.000 0.206 331 Q C 2.264 178.295 176.000 0.052 0.000 0.980 331 Q CA 1.355 57.195 55.803 0.062 0.000 0.869 331 Q CB -0.352 28.419 28.738 0.056 0.000 0.912 331 Q HN 0.553 nan 8.270 nan 0.000 0.436 332 R N -0.179 120.350 120.500 0.049 0.000 2.073 332 R HA 0.033 4.373 4.340 -0.001 0.000 0.229 332 R C 2.321 178.644 176.300 0.038 0.000 1.120 332 R CA 0.935 57.059 56.100 0.040 0.000 0.967 332 R CB -0.023 30.299 30.300 0.037 0.000 0.862 332 R HN 0.204 nan 8.270 nan 0.000 0.436 333 M N 0.104 119.723 119.600 0.032 0.000 2.229 333 M HA -0.114 4.365 4.480 -0.001 0.000 0.264 333 M C 2.043 178.377 176.300 0.057 0.000 1.063 333 M CA 1.402 56.715 55.300 0.021 0.000 1.114 333 M CB -0.716 31.869 32.600 -0.025 0.000 1.387 333 M HN 0.104 nan 8.290 nan 0.000 0.420 334 R N 0.354 120.890 120.500 0.060 0.000 2.088 334 R HA -0.182 4.157 4.340 -0.001 0.000 0.232 334 R C 2.340 178.703 176.300 0.106 0.000 1.136 334 R CA 1.780 57.938 56.100 0.096 0.000 0.926 334 R CB -0.145 30.198 30.300 0.071 0.000 0.837 334 R HN 0.446 nan 8.270 nan 0.000 0.429 335 Q N 0.376 120.214 119.800 0.064 0.000 2.096 335 Q HA -0.215 4.124 4.340 -0.001 0.000 0.204 335 Q C 2.197 178.220 176.000 0.039 0.000 0.982 335 Q CA 1.202 57.030 55.803 0.041 0.000 0.850 335 Q CB -0.506 28.250 28.738 0.030 0.000 0.901 335 Q HN 0.303 nan 8.270 nan 0.000 0.422 336 L N 0.413 121.668 121.223 0.053 0.000 2.131 336 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 336 L C 2.185 179.098 176.870 0.072 0.000 1.092 336 L CA 1.331 56.199 54.840 0.047 0.000 0.759 336 L CB -0.622 41.462 42.059 0.041 0.000 0.903 336 L HN 0.063 nan 8.230 nan 0.000 0.435 337 F N -0.277 119.635 119.950 -0.064 0.000 2.051 337 F HA -0.189 4.337 4.527 -0.001 0.000 0.296 337 F C 2.514 178.249 175.800 -0.108 0.000 1.122 337 F CA 2.151 60.093 58.000 -0.096 0.000 1.201 337 F CB -1.068 37.867 39.000 -0.108 0.000 0.978 337 F HN 0.026 nan 8.300 nan 0.000 0.472 338 V N 0.604 120.403 119.914 -0.192 0.000 2.287 338 V HA -0.326 3.794 4.120 -0.001 0.000 0.248 338 V C 1.980 177.965 176.094 -0.181 0.000 1.053 338 V CA 2.783 64.912 62.300 -0.286 0.000 1.027 338 V CB -1.118 30.605 31.823 -0.166 0.000 0.646 338 V HN 0.510 nan 8.190 nan 0.000 0.447 339 N N 0.311 118.957 118.700 -0.090 0.000 2.094 339 N HA -0.161 4.578 4.740 -0.001 0.000 0.191 339 N C 1.814 177.280 175.510 -0.072 0.000 1.023 339 N CA 2.336 55.350 53.050 -0.059 0.000 0.857 339 N CB -0.425 38.046 38.487 -0.026 0.000 1.013 339 N HN 0.644 nan 8.380 nan 0.000 0.426 340 T N 0.732 115.236 114.554 -0.083 0.000 2.904 340 T HA -0.006 4.343 4.350 -0.001 0.000 0.267 340 T C 1.668 176.292 174.700 -0.127 0.000 1.059 340 T CA 0.329 62.382 62.100 -0.078 0.000 1.137 340 T CB -0.088 68.757 68.868 -0.039 0.000 0.879 340 T HN 0.021 nan 8.240 nan 0.000 0.467 341 L N 1.452 122.532 121.223 -0.238 0.000 1.955 341 L HA -0.079 4.260 4.340 -0.001 0.000 0.213 341 L C 2.693 179.485 176.870 -0.129 0.000 1.072 341 L CA 1.768 56.441 54.840 -0.279 0.000 0.755 341 L CB -1.545 40.206 42.059 -0.514 0.000 0.888 341 L HN 0.175 nan 8.230 nan 0.000 0.432 342 Q N 0.444 120.188 119.800 -0.092 0.000 1.978 342 Q HA -0.290 4.050 4.340 -0.001 0.000 0.211 342 Q C 2.183 178.164 176.000 -0.031 0.000 1.013 342 Q CA 2.314 58.097 55.803 -0.032 0.000 0.869 342 Q CB -0.604 28.120 28.738 -0.023 0.000 0.953 342 Q HN 0.509 nan 8.270 nan 0.000 0.415 343 E N -0.903 119.274 120.200 -0.038 0.000 2.501 343 E HA -0.192 4.157 4.350 -0.001 0.000 0.203 343 E C 1.054 177.635 176.600 -0.031 0.000 1.072 343 E CA 0.816 57.199 56.400 -0.029 0.000 0.885 343 E CB 0.025 29.708 29.700 -0.028 0.000 0.813 343 E HN 0.145 nan 8.360 nan 0.000 0.556 344 K N -1.896 118.479 120.400 -0.043 0.000 2.360 344 K HA 0.119 4.438 4.320 -0.001 0.000 0.196 344 K C 0.721 177.302 176.600 -0.032 0.000 1.049 344 K CA 0.672 56.933 56.287 -0.042 0.000 1.049 344 K CB 1.003 33.466 32.500 -0.062 0.000 0.881 344 K HN 0.144 nan 8.250 nan 0.000 0.542 345 G N -0.457 108.330 108.800 -0.021 0.000 2.273 345 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.162 345 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.162 345 G C 0.034 174.942 174.900 0.012 0.000 1.006 345 G CA -0.259 44.838 45.100 -0.006 0.000 0.704 345 G HN 0.398 nan 8.290 nan 0.000 0.487 346 A N 0.537 123.369 122.820 0.020 0.000 2.555 346 A HA 0.462 4.781 4.320 -0.001 0.000 0.233 346 A C 1.284 178.919 177.584 0.085 0.000 1.060 346 A CA 1.365 53.456 52.037 0.090 0.000 0.759 346 A CB 0.078 19.183 19.000 0.175 0.000 0.995 346 A HN 0.847 nan 8.150 nan 0.000 0.506 347 N N 1.588 120.343 118.700 0.091 0.000 2.278 347 N HA -0.027 4.712 4.740 -0.001 0.000 0.181 347 N C 0.631 176.147 175.510 0.010 0.000 1.023 347 N CA 0.453 53.529 53.050 0.042 0.000 0.862 347 N CB -0.252 38.254 38.487 0.033 0.000 1.003 347 N HN 0.672 nan 8.380 nan 0.000 0.431 348 R N 0.599 121.091 120.500 -0.014 0.000 2.893 348 R HA 0.105 4.444 4.340 -0.001 0.000 0.279 348 R C -0.690 175.511 176.300 -0.166 0.000 1.076 348 R CA -0.091 55.891 56.100 -0.196 0.000 1.203 348 R CB -0.150 29.803 30.300 -0.580 0.000 1.137 348 R HN 0.276 nan 8.270 nan 0.000 0.541 349 D N -0.422 119.839 120.400 -0.232 0.000 2.440 349 D HA 0.167 4.806 4.640 -0.001 0.000 0.239 349 D C -0.655 175.556 176.300 -0.148 0.000 1.084 349 D CA -0.459 53.484 54.000 -0.095 0.000 0.843 349 D CB 0.350 41.138 40.800 -0.019 0.000 1.097 349 D HN 0.339 nan 8.370 nan 0.000 0.531 350 F N 1.797 121.711 119.950 -0.061 0.000 2.660 350 F HA 0.072 4.598 4.527 -0.001 0.000 0.302 350 F C 2.367 177.866 175.800 -0.501 0.000 1.103 350 F CA -0.085 57.727 58.000 -0.314 0.000 1.340 350 F CB 0.069 38.833 39.000 -0.393 0.000 1.048 350 F HN 0.397 nan 8.300 nan 0.000 0.551 351 S N 0.388 116.047 115.700 -0.069 0.000 2.420 351 S HA -0.302 4.167 4.470 -0.001 0.000 0.237 351 S C 1.941 176.512 174.600 -0.048 0.000 1.023 351 S CA 1.405 59.578 58.200 -0.046 0.000 0.991 351 S CB -1.390 61.830 63.200 0.034 0.000 0.792 351 S HN 0.547 nan 8.310 nan 0.000 0.488 352 F N 1.278 121.224 119.950 -0.007 0.000 2.333 352 F HA 0.181 4.707 4.527 -0.001 0.000 0.300 352 F C 1.772 177.626 175.800 0.090 0.000 1.083 352 F CA -0.093 57.918 58.000 0.018 0.000 1.395 352 F CB -0.937 37.997 39.000 -0.110 0.000 1.056 352 F HN 0.121 nan 8.300 nan 0.000 0.529 353 I N 1.035 121.226 120.570 -0.631 0.000 2.264 353 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 353 I C 2.376 178.482 176.117 -0.019 0.000 1.111 353 I CA 0.980 62.101 61.300 -0.298 0.000 1.382 353 I CB -0.438 37.376 38.000 -0.310 0.000 1.060 353 I HN 0.170 nan 8.210 nan 0.000 0.418 354 I N 1.177 121.737 120.570 -0.017 0.000 2.530 354 I HA -0.251 3.919 4.170 -0.001 0.000 0.257 354 I C 1.878 178.044 176.117 0.082 0.000 1.179 354 I CA 1.454 62.779 61.300 0.042 0.000 1.440 354 I CB -1.018 37.001 38.000 0.033 0.000 1.087 354 I HN 0.439 nan 8.210 nan 0.000 0.440 355 K N 1.053 121.522 120.400 0.115 0.000 2.444 355 K HA 0.118 4.438 4.320 -0.001 0.000 0.193 355 K C 0.370 177.066 176.600 0.160 0.000 1.024 355 K CA 0.028 56.398 56.287 0.139 0.000 1.077 355 K CB 0.023 32.616 32.500 0.156 0.000 0.833 355 K HN 0.416 nan 8.250 nan 0.000 0.517 356 Q N 1.491 121.390 119.800 0.165 0.000 2.222 356 Q HA 0.247 4.586 4.340 -0.001 0.000 0.252 356 Q C -0.897 175.185 176.000 0.138 0.000 0.926 356 Q CA -0.501 55.407 55.803 0.175 0.000 0.899 356 Q CB 1.320 30.181 28.738 0.205 0.000 1.250 356 Q HN 0.190 nan 8.270 nan 0.000 0.441 357 N N 0.095 118.878 118.700 0.138 0.000 2.456 357 N HA 0.632 5.372 4.740 -0.001 0.000 0.296 357 N C -0.157 175.390 175.510 0.062 0.000 1.102 357 N CA -0.050 53.071 53.050 0.118 0.000 0.924 357 N CB 1.450 40.027 38.487 0.150 0.000 1.186 357 N HN 0.778 nan 8.380 nan 0.000 0.492 358 G N 0.468 109.292 108.800 0.041 0.000 2.500 358 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.209 358 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.209 358 G C 0.365 175.154 174.900 -0.185 0.000 1.283 358 G CA -0.532 44.505 45.100 -0.104 0.000 0.960 358 G HN 0.466 nan 8.290 nan 0.000 0.528 359 M N -0.210 119.091 119.600 -0.498 0.000 2.492 359 M HA 0.281 4.760 4.480 -0.001 0.000 0.262 359 M C 0.228 176.192 176.300 -0.560 0.000 1.090 359 M CA 1.157 56.096 55.300 -0.602 0.000 1.110 359 M CB -0.086 31.905 32.600 -1.015 0.000 1.407 359 M HN 0.275 nan 8.290 nan 0.000 0.470 360 F N -0.872 119.044 119.950 -0.057 0.000 2.618 360 F HA 0.450 4.976 4.527 -0.001 0.000 0.332 360 F C 0.336 176.157 175.800 0.035 0.000 1.061 360 F CA -1.470 56.521 58.000 -0.016 0.000 0.974 360 F CB 1.222 40.226 39.000 0.007 0.000 1.310 360 F HN -0.232 nan 8.300 nan 0.000 0.491 361 S N 0.321 116.206 115.700 0.309 0.000 2.561 361 S HA 0.535 5.004 4.470 -0.001 0.000 0.303 361 S C -1.265 173.568 174.600 0.388 0.000 1.110 361 S CA -0.521 57.854 58.200 0.292 0.000 1.034 361 S CB 0.860 64.191 63.200 0.220 0.000 1.010 361 S HN 0.424 nan 8.310 nan 0.000 0.482 362 F N 4.515 124.595 119.950 0.217 0.000 2.566 362 F HA 0.293 4.820 4.527 -0.001 0.000 0.349 362 F C 1.748 177.781 175.800 0.388 0.000 1.245 362 F CA -1.212 56.910 58.000 0.204 0.000 1.169 362 F CB 0.166 39.203 39.000 0.062 0.000 1.470 362 F HN 0.873 nan 8.300 nan 0.000 0.634 363 S N 2.132 118.033 115.700 0.335 0.000 2.555 363 S HA 0.072 4.541 4.470 -0.001 0.000 0.230 363 S C 1.743 176.643 174.600 0.500 0.000 0.978 363 S CA 0.518 58.984 58.200 0.443 0.000 0.934 363 S CB -0.634 62.758 63.200 0.321 0.000 0.766 363 S HN 1.192 nan 8.310 nan 0.000 0.533 364 G N 0.283 109.207 108.800 0.205 0.000 2.147 364 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.244 364 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.244 364 G C -0.234 174.743 174.900 0.127 0.000 1.005 364 G CA 0.260 45.449 45.100 0.148 0.000 0.713 364 G HN 0.491 nan 8.290 nan 0.000 0.515 365 L N 0.612 121.891 121.223 0.093 0.000 2.399 365 L HA 0.671 5.011 4.340 -0.001 0.000 0.266 365 L C 1.216 178.099 176.870 0.022 0.000 1.114 365 L CA 0.017 54.912 54.840 0.092 0.000 0.804 365 L CB 1.266 43.385 42.059 0.101 0.000 1.146 365 L HN 0.122 nan 8.230 nan 0.000 0.451 366 T N 1.900 116.477 114.554 0.037 0.000 2.904 366 T HA 0.157 4.506 4.350 -0.001 0.000 0.290 366 T C 1.288 175.997 174.700 0.016 0.000 1.018 366 T CA -0.517 61.596 62.100 0.020 0.000 1.075 366 T CB 0.692 69.580 68.868 0.032 0.000 0.986 366 T HN 0.623 nan 8.240 nan 0.000 0.523 367 K N 2.193 122.599 120.400 0.009 0.000 2.074 367 K HA -0.191 4.128 4.320 -0.001 0.000 0.209 367 K C 1.514 178.120 176.600 0.009 0.000 1.048 367 K CA 1.647 57.939 56.287 0.008 0.000 0.926 367 K CB -0.098 32.407 32.500 0.008 0.000 0.713 367 K HN 0.478 nan 8.250 nan 0.000 0.444 368 E N 1.293 121.501 120.200 0.013 0.000 2.152 368 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 368 E C 2.122 178.735 176.600 0.022 0.000 0.983 368 E CA 0.929 57.337 56.400 0.012 0.000 0.818 368 E CB -0.026 29.681 29.700 0.012 0.000 0.758 368 E HN 0.356 nan 8.360 nan 0.000 0.467 369 Q N 0.024 119.845 119.800 0.035 0.000 2.016 369 Q HA -0.125 4.214 4.340 -0.001 0.000 0.200 369 Q C 2.392 178.424 176.000 0.054 0.000 0.978 369 Q CA 1.688 57.524 55.803 0.056 0.000 0.833 369 Q CB -0.176 28.603 28.738 0.068 0.000 0.895 369 Q HN 0.360 nan 8.270 nan 0.000 0.427 370 V N -0.138 119.797 119.914 0.036 0.000 2.407 370 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 370 V C 1.949 178.038 176.094 -0.008 0.000 1.055 370 V CA 1.330 63.644 62.300 0.023 0.000 1.049 370 V CB -0.471 31.363 31.823 0.018 0.000 0.662 370 V HN 0.363 nan 8.190 nan 0.000 0.455 371 L N 0.702 121.916 121.223 -0.014 0.000 2.079 371 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 371 L C 2.727 179.567 176.870 -0.049 0.000 1.081 371 L CA 2.607 57.423 54.840 -0.041 0.000 0.752 371 L CB -1.377 40.666 42.059 -0.027 0.000 0.896 371 L HN 0.478 nan 8.230 nan 0.000 0.433 372 R N -1.007 119.485 120.500 -0.013 0.000 2.062 372 R HA -0.107 4.232 4.340 -0.001 0.000 0.229 372 R C 2.454 178.767 176.300 0.023 0.000 1.128 372 R CA 1.008 57.100 56.100 -0.013 0.000 0.960 372 R CB -0.166 30.154 30.300 0.034 0.000 0.855 372 R HN 0.315 nan 8.270 nan 0.000 0.432 373 L N 0.546 121.848 121.223 0.133 0.000 2.043 373 L HA -0.238 4.101 4.340 -0.001 0.000 0.212 373 L C 2.915 179.859 176.870 0.123 0.000 1.075 373 L CA 1.512 56.519 54.840 0.278 0.000 0.752 373 L CB -0.402 41.753 42.059 0.161 0.000 0.891 373 L HN 0.270 nan 8.230 nan 0.000 0.432 374 R N -0.128 120.332 120.500 -0.068 0.000 2.062 374 R HA -0.186 4.153 4.340 -0.001 0.000 0.231 374 R C 2.190 178.370 176.300 -0.199 0.000 1.136 374 R CA 1.593 57.530 56.100 -0.270 0.000 0.948 374 R CB -0.027 30.017 30.300 -0.427 0.000 0.845 374 R HN 0.201 nan 8.270 nan 0.000 0.430 375 E N 0.461 120.566 120.200 -0.159 0.000 2.031 375 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 375 E C 1.759 178.248 176.600 -0.186 0.000 0.994 375 E CA 1.723 58.035 56.400 -0.147 0.000 0.800 375 E CB 0.009 29.634 29.700 -0.125 0.000 0.752 375 E HN 0.397 nan 8.360 nan 0.000 0.447 376 E N -1.817 118.198 120.200 -0.308 0.000 2.102 376 E HA -0.034 4.316 4.350 -0.001 0.000 0.190 376 E C 0.795 177.022 176.600 -0.620 0.000 0.971 376 E CA 0.683 56.732 56.400 -0.585 0.000 0.821 376 E CB 0.085 29.155 29.700 -1.051 0.000 0.777 376 E HN 0.235 nan 8.360 nan 0.000 0.460 377 F N -1.290 118.654 119.950 -0.011 0.000 2.706 377 F HA 0.410 4.936 4.527 -0.001 0.000 0.313 377 F C 1.303 177.121 175.800 0.031 0.000 1.096 377 F CA 0.229 58.234 58.000 0.009 0.000 1.219 377 F CB 1.212 40.219 39.000 0.012 0.000 1.051 377 F HN 0.125 nan 8.300 nan 0.000 0.568 378 G N 1.174 110.071 108.800 0.161 0.000 2.153 378 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.252 378 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.252 378 G C -0.038 175.062 174.900 0.334 0.000 0.994 378 G CA 0.246 45.469 45.100 0.205 0.000 0.698 378 G HN 0.188 nan 8.290 nan 0.000 0.521 379 V N 0.416 120.482 119.914 0.254 0.000 2.465 379 V HA 0.570 4.689 4.120 -0.001 0.000 0.279 379 V C -0.111 176.113 176.094 0.218 0.000 1.045 379 V CA -0.730 61.733 62.300 0.272 0.000 0.938 379 V CB 1.144 33.062 31.823 0.159 0.000 0.986 379 V HN 0.207 nan 8.190 nan 0.000 0.467 380 Y N 3.132 123.529 120.300 0.163 0.000 2.334 380 Y HA 0.738 5.287 4.550 -0.001 0.000 0.336 380 Y C 0.406 176.339 175.900 0.056 0.000 0.960 380 Y CA -0.344 57.841 58.100 0.142 0.000 1.164 380 Y CB 1.667 40.262 38.460 0.225 0.000 1.155 380 Y HN 0.782 nan 8.280 nan 0.000 0.478 381 A N 2.195 125.088 122.820 0.122 0.000 2.437 381 A HA 0.873 5.192 4.320 -0.001 0.000 0.288 381 A C -1.285 176.346 177.584 0.077 0.000 1.201 381 A CA -0.802 51.288 52.037 0.088 0.000 0.795 381 A CB 0.860 19.895 19.000 0.058 0.000 1.359 381 A HN 0.387 nan 8.150 nan 0.000 0.435 382 V N 0.910 120.859 119.914 0.060 0.000 2.567 382 V HA 0.424 4.543 4.120 -0.001 0.000 0.289 382 V C 1.706 177.824 176.094 0.040 0.000 1.049 382 V CA 0.442 62.769 62.300 0.044 0.000 0.969 382 V CB 1.101 32.936 31.823 0.020 0.000 0.995 382 V HN 1.269 nan 8.190 nan 0.000 0.471 383 A N 3.601 126.439 122.820 0.030 0.000 1.958 383 A HA -0.191 4.128 4.320 -0.001 0.000 0.221 383 A C 2.217 179.818 177.584 0.028 0.000 1.178 383 A CA 2.458 54.509 52.037 0.023 0.000 0.642 383 A CB -0.717 18.293 19.000 0.017 0.000 0.816 383 A HN 1.116 nan 8.150 nan 0.000 0.453 384 S N -1.874 113.862 115.700 0.061 0.000 2.547 384 S HA 0.301 4.771 4.470 -0.001 0.000 0.235 384 S C 1.476 176.031 174.600 -0.074 0.000 0.980 384 S CA 1.143 59.391 58.200 0.079 0.000 0.941 384 S CB -0.539 62.834 63.200 0.289 0.000 0.763 384 S HN 2.034 nan 8.310 nan 0.000 0.532 385 G N 1.171 109.956 108.800 -0.026 0.000 2.141 385 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.231 385 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.231 385 G C 0.040 174.954 174.900 0.022 0.000 0.984 385 G CA -0.061 45.007 45.100 -0.053 0.000 0.660 385 G HN 0.669 nan 8.290 nan 0.000 0.525 386 R N 0.506 121.088 120.500 0.137 0.000 2.347 386 R HA 0.493 4.832 4.340 -0.001 0.000 0.304 386 R C 0.501 176.874 176.300 0.121 0.000 1.072 386 R CA 0.339 56.566 56.100 0.212 0.000 0.980 386 R CB 0.691 31.061 30.300 0.118 0.000 0.986 386 R HN 0.688 nan 8.270 nan 0.000 0.448 387 V N 1.736 121.744 119.914 0.156 0.000 2.628 387 V HA 0.375 4.494 4.120 -0.001 0.000 0.306 387 V C -0.357 175.853 176.094 0.195 0.000 1.045 387 V CA -1.019 61.337 62.300 0.093 0.000 0.905 387 V CB 1.783 33.579 31.823 -0.045 0.000 0.997 387 V HN 0.854 nan 8.190 nan 0.000 0.436 388 N N 2.855 121.646 118.700 0.151 0.000 2.415 388 N HA 0.268 5.007 4.740 -0.001 0.000 0.246 388 N C 0.805 176.238 175.510 -0.128 0.000 1.078 388 N CA -0.404 52.714 53.050 0.113 0.000 0.942 388 N CB 1.583 40.122 38.487 0.086 0.000 1.140 388 N HN 0.668 nan 8.380 nan 0.000 0.501 389 V N 3.714 123.534 119.914 -0.157 0.000 2.427 389 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 389 V C 2.284 178.264 176.094 -0.191 0.000 1.051 389 V CA 2.020 64.192 62.300 -0.214 0.000 1.048 389 V CB -0.674 31.064 31.823 -0.143 0.000 0.666 389 V HN 0.824 nan 8.190 nan 0.000 0.456 390 A N 0.383 123.102 122.820 -0.167 0.000 2.186 390 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 390 A C 2.105 179.564 177.584 -0.208 0.000 1.159 390 A CA 1.563 53.503 52.037 -0.161 0.000 0.680 390 A CB -0.696 18.258 19.000 -0.077 0.000 0.787 390 A HN 0.578 nan 8.150 nan 0.000 0.467 391 G N -1.649 106.987 108.800 -0.272 0.000 3.088 391 G HA2 0.376 4.336 3.960 -0.001 0.000 0.217 391 G HA3 0.376 4.336 3.960 -0.001 0.000 0.217 391 G C 0.465 175.080 174.900 -0.475 0.000 1.159 391 G CA -0.367 44.382 45.100 -0.585 0.000 0.760 391 G HN 0.431 nan 8.290 nan 0.000 0.550 392 M N 1.796 121.209 119.600 -0.311 0.000 2.277 392 M HA 0.429 4.908 4.480 -0.001 0.000 0.350 392 M C 0.172 176.371 176.300 -0.167 0.000 1.180 392 M CA -0.123 55.033 55.300 -0.240 0.000 1.103 392 M CB 1.801 34.265 32.600 -0.227 0.000 1.577 392 M HN 0.107 nan 8.290 nan 0.000 0.459 393 T N -1.006 113.474 114.554 -0.124 0.000 2.903 393 T HA 0.490 4.839 4.350 -0.001 0.000 0.299 393 T C -2.493 172.182 174.700 -0.042 0.000 1.093 393 T CA -1.834 60.222 62.100 -0.073 0.000 1.002 393 T CB 1.791 70.623 68.868 -0.062 0.000 1.127 393 T HN 0.304 nan 8.240 nan 0.000 0.488 394 P HA -0.069 nan 4.420 nan 0.000 0.218 394 P C 0.800 178.096 177.300 -0.008 0.000 1.146 394 P CA 1.093 64.188 63.100 -0.008 0.000 0.820 394 P CB 0.085 31.785 31.700 -0.001 0.000 0.778 395 D N -1.269 119.124 120.400 -0.011 0.000 2.249 395 D HA -0.058 4.581 4.640 -0.001 0.000 0.205 395 D C 1.421 177.714 176.300 -0.012 0.000 0.962 395 D CA 0.840 54.836 54.000 -0.007 0.000 0.860 395 D CB -0.330 40.468 40.800 -0.003 0.000 0.955 395 D HN 0.314 nan 8.370 nan 0.000 0.505 396 N N -0.061 118.624 118.700 -0.025 0.000 2.325 396 N HA -0.036 4.704 4.740 -0.001 0.000 0.182 396 N C 1.553 177.047 175.510 -0.026 0.000 1.088 396 N CA 0.096 53.129 53.050 -0.029 0.000 0.879 396 N CB -0.327 38.132 38.487 -0.046 0.000 0.983 396 N HN -0.065 nan 8.380 nan 0.000 0.471 397 M N 1.235 120.822 119.600 -0.021 0.000 2.082 397 M HA -0.012 4.467 4.480 -0.001 0.000 0.258 397 M C 1.922 178.225 176.300 0.005 0.000 1.069 397 M CA 1.642 56.944 55.300 0.002 0.000 1.102 397 M CB -0.682 31.926 32.600 0.014 0.000 1.336 397 M HN 0.314 nan 8.290 nan 0.000 0.404 398 A N 0.431 123.247 122.820 -0.006 0.000 1.845 398 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 398 A C -0.257 177.311 177.584 -0.028 0.000 1.195 398 A CA 1.871 53.899 52.037 -0.015 0.000 0.616 398 A CB -2.385 16.608 19.000 -0.012 0.000 0.832 398 A HN 0.490 nan 8.150 nan 0.000 0.443 399 P HA -0.123 nan 4.420 nan 0.000 0.218 399 P C 1.640 178.907 177.300 -0.056 0.000 1.149 399 P CA 1.428 64.508 63.100 -0.033 0.000 0.817 399 P CB -0.299 31.397 31.700 -0.006 0.000 0.785 400 L N -1.837 119.366 121.223 -0.034 0.000 2.109 400 L HA 0.035 4.374 4.340 -0.001 0.000 0.207 400 L C 2.262 179.105 176.870 -0.046 0.000 1.086 400 L CA 1.751 56.569 54.840 -0.036 0.000 0.760 400 L CB -1.815 40.232 42.059 -0.020 0.000 0.910 400 L HN -0.166 nan 8.230 nan 0.000 0.437 401 C N 0.561 119.849 119.300 -0.019 0.000 2.419 401 C HA -0.079 4.380 4.460 -0.001 0.000 0.281 401 C C 2.648 177.568 174.990 -0.117 0.000 1.336 401 C CA 1.084 60.073 59.018 -0.048 0.000 1.770 401 C CB -1.061 26.650 27.740 -0.049 0.000 1.929 401 C HN 0.640 nan 8.230 nan 0.000 0.509 402 E N 0.706 120.825 120.200 -0.135 0.000 2.158 402 E HA -0.056 4.294 4.350 -0.001 0.000 0.191 402 E C 2.391 178.786 176.600 -0.342 0.000 0.982 402 E CA 1.003 57.294 56.400 -0.183 0.000 0.823 402 E CB -0.195 29.413 29.700 -0.152 0.000 0.766 402 E HN 0.662 nan 8.360 nan 0.000 0.468 403 A N 1.799 124.353 122.820 -0.444 0.000 1.858 403 A HA -0.184 4.135 4.320 -0.001 0.000 0.216 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