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 2d0u_1_B DATA FIRST_RESID 11 DATA SEQUENCE ISKEYHIDEE VGFALPNPQE NLPDFYNDWM FIAKHLPDLI ESGQLRERVE DATA SEQUENCE KLNMLSIDHL TDHKSQRLAR LVLGCITMAY VWGKGHGDVR KVLPRNIAVP DATA SEQUENCE YCQLSKKLEL PPILVYADCV LANWKKKDPN KPLTYENMDV LFSFRDGDCS DATA SEQUENCE KGFFLVSLLV EIAAASAIKV IPTVFKAMQM QERDTLLKAL LEIASCLEKA DATA SEQUENCE LQVFHQIHDH VNPKAFFSVL RIYLSGWKGN PQLSDGLVYE GFWEDPKEFA DATA SEQUENCE GGSAGQSSVF QCFDVLLGIQ QTAGGGHAAQ FLQDMRRYMP PAHRNFLCSL DATA SEQUENCE ESNPSVREFV LSKGDAGLRE AYDACVKALV SLRSYHLQIV TKYILIPASQ DATA SEQUENCE XXXXXXXXXX XXXXXXXXXG GTDLMNFLKT VRSTTEKSLL KEG 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.239 176.117 0.204 0.000 1.063 11 I CA 0.000 61.382 61.300 0.137 0.000 1.566 11 I CB 0.000 38.062 38.000 0.103 0.000 1.214 12 S N 1.922 117.752 115.700 0.216 0.000 2.415 12 S HA 0.463 4.933 4.470 -0.000 0.000 0.313 12 S C -0.253 174.526 174.600 0.299 0.000 1.067 12 S CA -0.797 57.603 58.200 0.333 0.000 1.099 12 S CB 0.786 64.122 63.200 0.227 0.000 0.991 12 S HN 0.645 nan 8.310 nan 0.000 0.491 13 K N 2.202 122.796 120.400 0.323 0.000 2.959 13 K HA 0.385 4.705 4.320 -0.000 0.000 0.336 13 K C -0.431 176.195 176.600 0.043 0.000 0.984 13 K CA -0.436 55.907 56.287 0.093 0.000 1.325 13 K CB -0.289 32.192 32.500 -0.032 0.000 1.390 13 K HN 0.199 nan 8.250 nan 0.000 0.615 14 E N 0.556 120.692 120.200 -0.108 0.000 1.999 14 E HA 0.056 4.406 4.350 -0.000 0.000 0.296 14 E C -0.826 175.616 176.600 -0.263 0.000 1.187 14 E CA 0.334 56.684 56.400 -0.084 0.000 1.229 14 E CB -0.729 28.932 29.700 -0.065 0.000 1.131 14 E HN 0.460 nan 8.360 nan 0.000 0.478 15 Y N -0.297 120.003 120.300 0.001 0.000 2.458 15 Y HA 0.125 4.674 4.550 -0.000 0.000 0.256 15 Y C 0.008 175.959 175.900 0.085 0.000 1.159 15 Y CA -0.210 57.897 58.100 0.011 0.000 1.261 15 Y CB -0.171 38.359 38.460 0.116 0.000 1.119 15 Y HN 0.535 nan 8.280 nan 0.000 0.524 16 H N -0.295 118.873 119.070 0.164 0.000 2.847 16 H HA -0.131 4.425 4.556 -0.000 0.000 0.336 16 H C -0.747 174.701 175.328 0.199 0.000 1.221 16 H CA 0.143 56.273 56.048 0.136 0.000 1.162 16 H CB -1.653 28.154 29.762 0.076 0.000 1.566 16 H HN 0.184 nan 8.280 nan 0.000 0.430 17 I N 1.399 122.063 120.570 0.157 0.000 2.468 17 I HA 0.127 4.296 4.170 -0.000 0.000 0.285 17 I C 0.130 176.217 176.117 -0.051 0.000 1.039 17 I CA -0.520 60.743 61.300 -0.061 0.000 1.074 17 I CB 1.672 39.450 38.000 -0.370 0.000 1.228 17 I HN 0.269 nan 8.210 nan 0.000 0.436 18 D N 5.167 125.546 120.400 -0.035 0.000 2.304 18 D HA 0.031 4.671 4.640 -0.000 0.000 0.247 18 D C 0.774 177.038 176.300 -0.059 0.000 1.089 18 D CA 0.075 54.067 54.000 -0.014 0.000 0.910 18 D CB 1.853 42.674 40.800 0.035 0.000 1.199 18 D HN 0.669 nan 8.370 nan 0.000 0.426 19 E N 1.454 121.633 120.200 -0.035 0.000 2.152 19 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 19 E C 1.528 178.104 176.600 -0.040 0.000 0.983 19 E CA 1.075 57.449 56.400 -0.043 0.000 0.818 19 E CB 0.231 29.918 29.700 -0.021 0.000 0.758 19 E HN 0.658 nan 8.360 nan 0.000 0.467 20 E N -1.160 119.027 120.200 -0.021 0.000 2.340 20 E HA 0.002 4.351 4.350 -0.000 0.000 0.198 20 E C 1.488 178.068 176.600 -0.032 0.000 0.961 20 E CA 0.336 56.725 56.400 -0.020 0.000 0.905 20 E CB 0.537 30.238 29.700 0.001 0.000 0.884 20 E HN 0.060 nan 8.360 nan 0.000 0.491 21 V N 0.362 120.262 119.914 -0.024 0.000 3.578 21 V HA 0.286 4.406 4.120 -0.000 0.000 0.290 21 V C 1.188 177.249 176.094 -0.055 0.000 1.376 21 V CA 0.681 62.957 62.300 -0.040 0.000 1.083 21 V CB 0.033 31.869 31.823 0.023 0.000 0.911 21 V HN 0.616 nan 8.190 nan 0.000 0.433 22 G N 1.090 109.827 108.800 -0.105 0.000 2.596 22 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.304 22 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.304 22 G C 0.486 175.242 174.900 -0.241 0.000 1.189 22 G CA 0.878 45.831 45.100 -0.244 0.000 0.986 22 G HN 0.255 nan 8.290 nan 0.000 0.548 23 F N 3.001 122.892 119.950 -0.098 0.000 2.661 23 F HA 0.527 5.054 4.527 -0.000 0.000 0.298 23 F C 2.240 178.119 175.800 0.133 0.000 1.137 23 F CA 0.798 58.722 58.000 -0.127 0.000 1.454 23 F CB -0.446 38.398 39.000 -0.259 0.000 1.103 23 F HN 0.661 nan 8.300 nan 0.000 0.577 24 A N 0.466 123.435 122.820 0.248 0.000 2.366 24 A HA 0.383 4.702 4.320 -0.000 0.000 0.249 24 A C -0.438 177.332 177.584 0.309 0.000 1.084 24 A CA -0.474 51.703 52.037 0.233 0.000 0.794 24 A CB 0.114 19.141 19.000 0.044 0.000 1.034 24 A HN 0.128 nan 8.150 nan 0.000 0.491 25 L N 2.264 123.716 121.223 0.381 0.000 2.313 25 L HA 0.417 4.757 4.340 -0.000 0.000 0.282 25 L C -2.242 174.860 176.870 0.387 0.000 1.092 25 L CA -1.657 53.368 54.840 0.309 0.000 0.831 25 L CB 0.660 42.840 42.059 0.201 0.000 1.159 25 L HN 0.340 nan 8.230 nan 0.000 0.442 26 P HA 0.116 nan 4.420 nan 0.000 0.271 26 P C -0.820 176.498 177.300 0.031 0.000 1.216 26 P CA -0.071 63.173 63.100 0.241 0.000 0.771 26 P CB 0.335 32.117 31.700 0.137 0.000 0.864 27 N N 1.772 120.411 118.700 -0.101 0.000 2.676 27 N HA -0.161 4.579 4.740 -0.000 0.000 0.290 27 N C -2.177 173.104 175.510 -0.381 0.000 1.109 27 N CA -0.128 52.722 53.050 -0.332 0.000 0.779 27 N CB -0.754 37.649 38.487 -0.140 0.000 0.947 27 N HN 0.233 nan 8.380 nan 0.000 0.566 28 P HA -0.014 nan 4.420 nan 0.000 0.269 28 P C -0.471 176.645 177.300 -0.306 0.000 1.215 28 P CA -0.057 62.782 63.100 -0.436 0.000 0.780 28 P CB 0.587 31.933 31.700 -0.591 0.000 0.898 29 Q N 1.314 120.999 119.800 -0.191 0.000 2.304 29 Q HA 0.032 4.372 4.340 -0.000 0.000 0.260 29 Q C 0.519 176.450 176.000 -0.114 0.000 0.965 29 Q CA 0.235 55.961 55.803 -0.129 0.000 0.898 29 Q CB 0.454 29.142 28.738 -0.082 0.000 1.196 29 Q HN 0.417 nan 8.270 nan 0.000 0.402 30 E N 2.149 122.286 120.200 -0.103 0.000 2.307 30 E HA 0.089 4.439 4.350 -0.000 0.000 0.195 30 E C -0.324 176.266 176.600 -0.018 0.000 0.975 30 E CA 0.168 56.513 56.400 -0.092 0.000 0.878 30 E CB 0.545 30.166 29.700 -0.131 0.000 0.845 30 E HN 0.527 nan 8.360 nan 0.000 0.488 31 N N 0.771 119.469 118.700 -0.003 0.000 2.292 31 N HA 0.399 5.138 4.740 -0.000 0.000 0.303 31 N C -0.765 174.779 175.510 0.056 0.000 1.140 31 N CA -0.373 52.701 53.050 0.039 0.000 0.788 31 N CB 2.342 40.844 38.487 0.026 0.000 1.361 31 N HN -0.084 nan 8.380 nan 0.000 0.489 32 L N 0.854 122.135 121.223 0.097 0.000 2.304 32 L HA 0.555 4.894 4.340 -0.000 0.000 0.268 32 L C -2.118 174.850 176.870 0.164 0.000 1.010 32 L CA -1.957 52.955 54.840 0.120 0.000 0.813 32 L CB 1.384 43.527 42.059 0.139 0.000 1.315 32 L HN 0.188 nan 8.230 nan 0.000 0.445 33 P HA 0.038 nan 4.420 nan 0.000 0.268 33 P C -0.299 177.105 177.300 0.173 0.000 1.205 33 P CA -0.143 63.079 63.100 0.204 0.000 0.771 33 P CB 0.495 32.350 31.700 0.258 0.000 0.858 34 D N 1.129 121.571 120.400 0.069 0.000 2.220 34 D HA -0.229 4.411 4.640 -0.000 0.000 0.198 34 D C 1.281 177.534 176.300 -0.078 0.000 1.001 34 D CA 1.158 55.162 54.000 0.007 0.000 0.875 34 D CB -0.575 40.214 40.800 -0.019 0.000 0.921 34 D HN 0.424 nan 8.370 nan 0.000 0.454 35 F N -0.164 119.617 119.950 -0.283 0.000 2.287 35 F HA -0.242 4.284 4.527 -0.000 0.000 0.301 35 F C 0.953 176.304 175.800 -0.748 0.000 1.069 35 F CA 1.170 58.830 58.000 -0.568 0.000 1.372 35 F CB -0.135 38.351 39.000 -0.856 0.000 1.056 35 F HN 0.022 nan 8.300 nan 0.000 0.523 36 Y N -0.919 119.209 120.300 -0.287 0.000 2.636 36 Y HA 0.236 4.786 4.550 -0.000 0.000 0.260 36 Y C 1.539 177.303 175.900 -0.228 0.000 1.177 36 Y CA -0.335 57.481 58.100 -0.473 0.000 1.209 36 Y CB -1.196 37.054 38.460 -0.350 0.000 1.166 36 Y HN 0.038 nan 8.280 nan 0.000 0.531 37 N N 0.663 119.321 118.700 -0.070 0.000 2.192 37 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 37 N C 0.820 176.385 175.510 0.092 0.000 1.013 37 N CA 1.495 54.563 53.050 0.030 0.000 0.863 37 N CB 0.031 38.505 38.487 -0.021 0.000 0.990 37 N HN 0.341 nan 8.380 nan 0.000 0.430 38 D N -0.154 120.244 120.400 -0.003 0.000 2.144 38 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 38 D C 1.517 178.018 176.300 0.335 0.000 0.984 38 D CA 0.779 54.849 54.000 0.117 0.000 0.834 38 D CB -0.142 40.666 40.800 0.014 0.000 0.955 38 D HN 0.344 nan 8.370 nan 0.000 0.465 39 W N 0.441 121.801 121.300 0.100 0.000 2.380 39 W HA -0.044 4.616 4.660 -0.000 0.000 0.317 39 W C 2.332 178.893 176.519 0.069 0.000 1.196 39 W CA 0.113 57.500 57.345 0.069 0.000 1.307 39 W CB -1.538 27.960 29.460 0.063 0.000 1.157 39 W HN 0.033 nan 8.180 nan 0.000 0.483 40 M N -0.061 119.761 119.600 0.370 0.000 2.088 40 M HA -0.268 4.212 4.480 -0.000 0.000 0.256 40 M C 2.226 178.690 176.300 0.273 0.000 1.071 40 M CA 1.797 57.263 55.300 0.276 0.000 1.097 40 M CB -1.646 31.108 32.600 0.256 0.000 1.315 40 M HN -0.005 nan 8.290 nan 0.000 0.406 41 F N 0.269 120.328 119.950 0.183 0.000 2.087 41 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 41 F C 1.876 177.817 175.800 0.235 0.000 1.100 41 F CA 2.133 60.265 58.000 0.219 0.000 1.226 41 F CB -0.578 38.516 39.000 0.156 0.000 0.983 41 F HN 0.239 nan 8.300 nan 0.000 0.479 42 I N 0.214 120.798 120.570 0.024 0.000 2.179 42 I HA -0.303 3.867 4.170 -0.000 0.000 0.242 42 I C 2.757 178.805 176.117 -0.116 0.000 1.088 42 I CA 1.235 62.463 61.300 -0.119 0.000 1.357 42 I CB -1.195 36.832 38.000 0.044 0.000 1.051 42 I HN 0.264 nan 8.210 nan 0.000 0.409 43 A N 0.823 123.609 122.820 -0.057 0.000 1.865 43 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 43 A C 2.255 179.880 177.584 0.069 0.000 1.191 43 A CA 1.589 53.569 52.037 -0.096 0.000 0.623 43 A CB -0.431 18.379 19.000 -0.316 0.000 0.826 43 A HN 0.210 nan 8.150 nan 0.000 0.444 44 K N -0.558 119.893 120.400 0.085 0.000 2.360 44 K HA -0.087 4.233 4.320 -0.000 0.000 0.201 44 K C 0.483 176.814 176.600 -0.448 0.000 1.046 44 K CA 0.931 57.156 56.287 -0.103 0.000 0.945 44 K CB -0.227 32.184 32.500 -0.149 0.000 0.750 44 K HN 0.690 nan 8.250 nan 0.000 0.464 45 H N -0.742 118.201 119.070 -0.213 0.000 2.567 45 H HA 0.093 4.649 4.556 -0.000 0.000 0.267 45 H C 1.226 176.447 175.328 -0.177 0.000 1.148 45 H CA -0.367 55.534 56.048 -0.246 0.000 1.031 45 H CB 0.522 29.991 29.762 -0.488 0.000 1.691 45 H HN -0.054 nan 8.280 nan 0.000 0.588 46 L N 2.024 123.213 121.223 -0.057 0.000 1.997 46 L HA -0.113 4.227 4.340 -0.000 0.000 0.216 46 L C -0.615 176.252 176.870 -0.005 0.000 1.074 46 L CA 2.029 56.853 54.840 -0.027 0.000 0.763 46 L CB -1.200 40.840 42.059 -0.032 0.000 0.890 46 L HN 0.203 nan 8.230 nan 0.000 0.434 47 P HA -0.127 nan 4.420 nan 0.000 0.216 47 P C 1.003 178.321 177.300 0.031 0.000 1.150 47 P CA 1.511 64.614 63.100 0.005 0.000 0.837 47 P CB 0.004 31.705 31.700 0.001 0.000 0.786 48 D N -0.912 119.513 120.400 0.042 0.000 2.110 48 D HA -0.035 4.605 4.640 -0.000 0.000 0.202 48 D C 2.123 178.448 176.300 0.042 0.000 0.975 48 D CA 0.956 54.988 54.000 0.053 0.000 0.839 48 D CB -0.766 40.083 40.800 0.081 0.000 0.996 48 D HN 0.140 nan 8.370 nan 0.000 0.464 49 L N 0.860 122.099 121.223 0.026 0.000 2.042 49 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 49 L C 2.627 179.523 176.870 0.043 0.000 1.076 49 L CA 0.839 55.696 54.840 0.028 0.000 0.749 49 L CB -0.427 41.636 42.059 0.006 0.000 0.893 49 L HN 0.017 nan 8.230 nan 0.000 0.432 50 I N -0.363 120.235 120.570 0.047 0.000 2.099 50 I HA -0.315 3.855 4.170 -0.000 0.000 0.239 50 I C 2.685 178.843 176.117 0.068 0.000 1.066 50 I CA 1.514 62.853 61.300 0.066 0.000 1.324 50 I CB -0.385 37.664 38.000 0.080 0.000 1.037 50 I HN 0.336 nan 8.210 nan 0.000 0.401 51 E N 0.820 121.059 120.200 0.065 0.000 2.085 51 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 51 E C 2.117 178.753 176.600 0.061 0.000 0.994 51 E CA 1.879 58.321 56.400 0.070 0.000 0.801 51 E CB 0.017 29.755 29.700 0.064 0.000 0.743 51 E HN 0.513 nan 8.360 nan 0.000 0.453 52 S N -1.025 114.707 115.700 0.053 0.000 2.607 52 S HA 0.096 4.566 4.470 -0.000 0.000 0.224 52 S C 1.346 175.973 174.600 0.044 0.000 0.969 52 S CA 0.628 58.856 58.200 0.047 0.000 0.927 52 S CB 0.288 63.515 63.200 0.045 0.000 0.772 52 S HN 0.429 nan 8.310 nan 0.000 0.533 53 G N 1.387 110.214 108.800 0.046 0.000 2.221 53 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.265 53 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.265 53 G C 0.395 175.313 174.900 0.031 0.000 1.041 53 G CA 0.504 45.626 45.100 0.037 0.000 0.807 53 G HN 0.622 nan 8.290 nan 0.000 0.502 54 Q N -1.341 118.483 119.800 0.040 0.000 2.246 54 Q HA 0.300 4.639 4.340 -0.000 0.000 0.222 54 Q C 2.400 178.433 176.000 0.056 0.000 0.851 54 Q CA 0.179 56.011 55.803 0.048 0.000 0.945 54 Q CB 0.324 29.099 28.738 0.062 0.000 1.122 54 Q HN 0.529 nan 8.270 nan 0.000 0.508 55 L N 1.704 122.956 121.223 0.048 0.000 1.956 55 L HA -0.230 4.110 4.340 -0.000 0.000 0.216 55 L C 2.344 179.255 176.870 0.069 0.000 1.073 55 L CA 2.017 56.892 54.840 0.059 0.000 0.762 55 L CB -0.284 41.806 42.059 0.053 0.000 0.889 55 L HN -0.001 nan 8.230 nan 0.000 0.433 56 R N -0.373 120.124 120.500 -0.004 0.000 2.112 56 R HA -0.282 4.058 4.340 -0.000 0.000 0.242 56 R C 2.229 178.579 176.300 0.083 0.000 1.137 56 R CA 2.119 58.190 56.100 -0.049 0.000 0.944 56 R CB -0.617 29.531 30.300 -0.253 0.000 0.857 56 R HN 0.762 nan 8.270 nan 0.000 0.435 57 E N 0.297 120.527 120.200 0.051 0.000 2.118 57 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 57 E C 2.034 178.691 176.600 0.093 0.000 0.992 57 E CA 1.406 57.846 56.400 0.067 0.000 0.804 57 E CB -0.103 29.626 29.700 0.047 0.000 0.741 57 E HN 0.061 nan 8.360 nan 0.000 0.458 58 R N 0.407 120.971 120.500 0.107 0.000 2.066 58 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 58 R C 2.317 178.697 176.300 0.134 0.000 1.131 58 R CA 1.411 57.587 56.100 0.128 0.000 0.955 58 R CB -0.683 29.710 30.300 0.156 0.000 0.851 58 R HN 0.186 nan 8.270 nan 0.000 0.432 59 V N 1.082 121.089 119.914 0.155 0.000 2.287 59 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 59 V C 1.799 177.950 176.094 0.096 0.000 1.053 59 V CA 2.234 64.612 62.300 0.130 0.000 1.027 59 V CB -0.480 31.463 31.823 0.199 0.000 0.646 59 V HN 0.442 nan 8.190 nan 0.000 0.447 60 E N -0.256 120.028 120.200 0.140 0.000 2.267 60 E HA -0.188 4.161 4.350 -0.000 0.000 0.197 60 E C 1.812 178.453 176.600 0.068 0.000 0.998 60 E CA 0.668 57.128 56.400 0.100 0.000 0.830 60 E CB -0.073 29.702 29.700 0.125 0.000 0.751 60 E HN 0.429 nan 8.360 nan 0.000 0.491 61 K N 0.298 120.742 120.400 0.073 0.000 2.404 61 K HA 0.144 4.464 4.320 -0.000 0.000 0.194 61 K C 0.595 177.228 176.600 0.056 0.000 1.023 61 K CA 0.019 56.339 56.287 0.056 0.000 1.094 61 K CB 0.168 32.699 32.500 0.053 0.000 0.841 61 K HN 0.148 nan 8.250 nan 0.000 0.523 62 L N 1.864 123.131 121.223 0.074 0.000 2.483 62 L HA -0.002 4.338 4.340 -0.000 0.000 0.276 62 L C 0.464 177.377 176.870 0.071 0.000 1.213 62 L CA 0.206 55.100 54.840 0.091 0.000 0.843 62 L CB 0.195 42.337 42.059 0.139 0.000 1.107 62 L HN 0.120 nan 8.230 nan 0.000 0.487 63 N N 2.387 121.122 118.700 0.057 0.000 2.509 63 N HA 0.278 5.018 4.740 -0.000 0.000 0.287 63 N C -0.390 175.174 175.510 0.089 0.000 1.121 63 N CA -0.669 52.404 53.050 0.039 0.000 0.977 63 N CB 1.368 39.845 38.487 -0.018 0.000 1.167 63 N HN 0.525 nan 8.380 nan 0.000 0.476 64 M N 3.566 123.226 119.600 0.100 0.000 2.350 64 M HA 0.105 4.584 4.480 -0.000 0.000 0.338 64 M C -1.337 175.071 176.300 0.179 0.000 1.559 64 M CA -0.256 55.139 55.300 0.158 0.000 1.217 64 M CB -0.013 32.664 32.600 0.129 0.000 1.808 64 M HN 0.335 nan 8.290 nan 0.000 0.458 65 L N 3.770 125.147 121.223 0.256 0.000 2.399 65 L HA 0.386 4.726 4.340 -0.000 0.000 0.266 65 L C 0.389 177.501 176.870 0.403 0.000 1.114 65 L CA 0.342 55.326 54.840 0.239 0.000 0.804 65 L CB 1.635 43.631 42.059 -0.106 0.000 1.146 65 L HN 0.638 nan 8.230 nan 0.000 0.451 66 S N 1.471 117.425 115.700 0.424 0.000 2.610 66 S HA 0.387 4.857 4.470 -0.000 0.000 0.273 66 S C 1.128 175.954 174.600 0.377 0.000 1.274 66 S CA -0.606 57.764 58.200 0.283 0.000 1.023 66 S CB 0.423 63.669 63.200 0.077 0.000 0.962 66 S HN 0.518 nan 8.310 nan 0.000 0.523 67 I N 0.326 121.066 120.570 0.283 0.000 3.793 67 I HA 0.232 4.402 4.170 -0.000 0.000 0.315 67 I C 0.655 176.847 176.117 0.124 0.000 1.275 67 I CA 0.147 61.627 61.300 0.300 0.000 1.214 67 I CB -0.160 37.975 38.000 0.225 0.000 1.018 67 I HN 0.395 nan 8.210 nan 0.000 0.439 68 D N 1.717 122.077 120.400 -0.068 0.000 2.265 68 D HA -0.180 4.460 4.640 -0.000 0.000 0.208 68 D C 1.571 177.698 176.300 -0.288 0.000 0.977 68 D CA 1.297 55.159 54.000 -0.231 0.000 0.871 68 D CB -0.333 40.240 40.800 -0.379 0.000 0.925 68 D HN 0.603 nan 8.370 nan 0.000 0.485 69 H N -0.322 118.751 119.070 0.004 0.000 2.533 69 H HA 0.170 4.726 4.556 -0.000 0.000 0.271 69 H C 0.550 175.962 175.328 0.141 0.000 1.000 69 H CA 0.086 56.135 56.048 0.002 0.000 1.149 69 H CB 0.355 30.000 29.762 -0.195 0.000 1.375 69 H HN 0.106 nan 8.280 nan 0.000 0.582 70 L N 2.521 123.855 121.223 0.186 0.000 2.352 70 L HA 0.085 4.425 4.340 -0.000 0.000 0.272 70 L C 1.615 178.516 176.870 0.052 0.000 1.109 70 L CA -0.371 54.524 54.840 0.092 0.000 0.952 70 L CB 0.983 43.054 42.059 0.021 0.000 1.314 70 L HN 0.157 nan 8.230 nan 0.000 0.427 71 T N -2.139 112.447 114.554 0.053 0.000 2.732 71 T HA -0.066 4.284 4.350 -0.000 0.000 0.261 71 T C 0.665 175.384 174.700 0.032 0.000 1.040 71 T CA 0.484 62.605 62.100 0.034 0.000 1.145 71 T CB -0.069 68.819 68.868 0.032 0.000 0.866 71 T HN 0.567 nan 8.240 nan 0.000 0.427 72 D N 0.034 120.453 120.400 0.031 0.000 2.437 72 D HA 0.151 4.791 4.640 -0.000 0.000 0.259 72 D C 0.972 177.306 176.300 0.056 0.000 1.118 72 D CA -0.616 53.409 54.000 0.042 0.000 1.017 72 D CB 0.854 41.672 40.800 0.030 0.000 1.120 72 D HN 0.167 nan 8.370 nan 0.000 0.541 73 H N 0.202 119.253 119.070 -0.031 0.000 2.270 73 H HA -0.075 4.481 4.556 -0.000 0.000 0.299 73 H C 1.763 177.067 175.328 -0.040 0.000 1.077 73 H CA 2.155 58.179 56.048 -0.040 0.000 1.294 73 H CB 0.162 29.878 29.762 -0.077 0.000 1.371 73 H HN 0.341 nan 8.280 nan 0.000 0.491 74 K N -0.212 120.137 120.400 -0.085 0.000 2.044 74 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 74 K C 2.458 178.975 176.600 -0.138 0.000 1.049 74 K CA 1.826 58.025 56.287 -0.146 0.000 0.927 74 K CB -0.251 32.206 32.500 -0.072 0.000 0.713 74 K HN 0.473 nan 8.250 nan 0.000 0.443 75 S N 0.788 116.439 115.700 -0.081 0.000 2.419 75 S HA -0.198 4.271 4.470 -0.000 0.000 0.233 75 S C 1.931 176.478 174.600 -0.087 0.000 1.016 75 S CA 1.069 59.232 58.200 -0.061 0.000 0.974 75 S CB -0.170 63.018 63.200 -0.020 0.000 0.786 75 S HN 0.312 nan 8.310 nan 0.000 0.492 76 Q N 0.278 120.011 119.800 -0.111 0.000 2.123 76 Q HA 0.102 4.442 4.340 -0.000 0.000 0.199 76 Q C 2.529 178.439 176.000 -0.150 0.000 0.966 76 Q CA 0.838 56.577 55.803 -0.108 0.000 0.845 76 Q CB -0.050 28.638 28.738 -0.084 0.000 0.907 76 Q HN 0.403 nan 8.270 nan 0.000 0.439 77 R N 0.603 120.955 120.500 -0.247 0.000 2.066 77 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 77 R C 2.265 178.490 176.300 -0.125 0.000 1.131 77 R CA 0.809 56.779 56.100 -0.216 0.000 0.955 77 R CB -0.973 29.152 30.300 -0.293 0.000 0.851 77 R HN 0.327 nan 8.270 nan 0.000 0.432 78 L N 0.662 121.822 121.223 -0.106 0.000 1.990 78 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 78 L C 2.343 179.166 176.870 -0.079 0.000 1.072 78 L CA 1.938 56.746 54.840 -0.053 0.000 0.755 78 L CB -0.595 41.452 42.059 -0.020 0.000 0.889 78 L HN 0.191 nan 8.230 nan 0.000 0.432 79 A N -0.313 122.460 122.820 -0.079 0.000 1.892 79 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 79 A C 2.313 179.806 177.584 -0.150 0.000 1.188 79 A CA 1.990 53.977 52.037 -0.082 0.000 0.631 79 A CB -0.717 18.260 19.000 -0.038 0.000 0.822 79 A HN 0.449 nan 8.150 nan 0.000 0.447 80 R N -1.382 119.063 120.500 -0.090 0.000 2.105 80 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 80 R C 2.123 178.364 176.300 -0.098 0.000 1.135 80 R CA 1.573 57.657 56.100 -0.026 0.000 0.967 80 R CB -0.560 29.744 30.300 0.007 0.000 0.861 80 R HN 0.518 nan 8.270 nan 0.000 0.442 81 L N 0.581 121.717 121.223 -0.146 0.000 1.994 81 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 81 L C 2.181 178.801 176.870 -0.417 0.000 1.071 81 L CA 1.589 56.304 54.840 -0.207 0.000 0.745 81 L CB -0.708 41.268 42.059 -0.137 0.000 0.892 81 L HN -0.111 nan 8.230 nan 0.000 0.431 82 V N -0.044 119.557 119.914 -0.521 0.000 2.233 82 V HA -0.344 3.776 4.120 -0.000 0.000 0.247 82 V C 2.618 178.365 176.094 -0.577 0.000 1.050 82 V CA 2.284 64.184 62.300 -0.666 0.000 1.010 82 V CB -0.636 30.919 31.823 -0.446 0.000 0.637 82 V HN 0.467 nan 8.190 nan 0.000 0.444 83 L N 0.148 120.986 121.223 -0.640 0.000 2.131 83 L HA -0.083 4.256 4.340 -0.000 0.000 0.210 83 L C 2.603 178.923 176.870 -0.916 0.000 1.092 83 L CA 1.550 55.857 54.840 -0.888 0.000 0.759 83 L CB -1.247 40.167 42.059 -1.075 0.000 0.903 83 L HN 0.492 nan 8.230 nan 0.000 0.435 84 G N -0.432 107.989 108.800 -0.632 0.000 2.453 84 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 84 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 84 G C 1.621 176.467 174.900 -0.091 0.000 1.201 84 G CA 0.950 45.884 45.100 -0.277 0.000 0.784 84 G HN 0.392 nan 8.290 nan 0.000 0.545 85 C N 0.485 119.715 119.300 -0.115 0.000 2.413 85 C HA -0.005 4.454 4.460 -0.000 0.000 0.276 85 C C 2.880 177.930 174.990 0.099 0.000 1.248 85 C CA 0.562 59.614 59.018 0.056 0.000 1.742 85 C CB -1.065 26.521 27.740 -0.257 0.000 2.017 85 C HN 0.464 nan 8.230 nan 0.000 0.481 86 I N 0.582 121.075 120.570 -0.129 0.000 2.179 86 I HA -0.207 3.963 4.170 -0.000 0.000 0.242 86 I C 2.564 178.667 176.117 -0.023 0.000 1.088 86 I CA 1.754 62.996 61.300 -0.098 0.000 1.357 86 I CB -0.915 36.937 38.000 -0.246 0.000 1.051 86 I HN 0.326 nan 8.210 nan 0.000 0.409 87 T N 0.938 115.419 114.554 -0.121 0.000 2.720 87 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 87 T C 1.955 176.728 174.700 0.122 0.000 1.037 87 T CA 1.322 63.393 62.100 -0.050 0.000 1.144 87 T CB -0.105 68.741 68.868 -0.036 0.000 0.864 87 T HN 0.152 nan 8.240 nan 0.000 0.444 88 M N 1.223 120.977 119.600 0.256 0.000 2.067 88 M HA 0.024 4.503 4.480 -0.000 0.000 0.260 88 M C 2.899 179.418 176.300 0.365 0.000 1.069 88 M CA 1.613 57.135 55.300 0.370 0.000 1.117 88 M CB -1.698 31.172 32.600 0.451 0.000 1.334 88 M HN 0.314 nan 8.290 nan 0.000 0.407 89 A N -0.631 122.427 122.820 0.396 0.000 1.892 89 A HA -0.251 4.068 4.320 -0.000 0.000 0.218 89 A C 2.208 179.939 177.584 0.245 0.000 1.188 89 A CA 1.904 54.171 52.037 0.384 0.000 0.631 89 A CB -1.321 17.845 19.000 0.277 0.000 0.822 89 A HN 0.524 nan 8.150 nan 0.000 0.447 90 Y N 0.289 120.612 120.300 0.039 0.000 2.114 90 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 90 Y C 2.509 178.326 175.900 -0.139 0.000 1.143 90 Y CA 2.063 60.131 58.100 -0.052 0.000 1.135 90 Y CB -0.526 37.869 38.460 -0.108 0.000 0.980 90 Y HN 0.065 nan 8.280 nan 0.000 0.499 91 V N -0.735 119.147 119.914 -0.053 0.000 2.255 91 V HA -0.355 3.764 4.120 -0.000 0.000 0.247 91 V C 1.897 177.730 176.094 -0.435 0.000 1.051 91 V CA 2.379 64.420 62.300 -0.431 0.000 1.018 91 V CB -0.844 30.429 31.823 -0.917 0.000 0.641 91 V HN 0.636 nan 8.190 nan 0.000 0.445 92 W N -0.677 120.606 121.300 -0.029 0.000 2.770 92 W HA 0.408 5.068 4.660 -0.000 0.000 0.256 92 W C 1.727 178.155 176.519 -0.152 0.000 1.291 92 W CA 0.441 57.697 57.345 -0.149 0.000 1.396 92 W CB -0.488 28.767 29.460 -0.341 0.000 1.114 92 W HN 0.467 nan 8.180 nan 0.000 0.637 93 G N 1.704 110.578 108.800 0.122 0.000 2.596 93 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.295 93 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.295 93 G C 0.819 175.809 174.900 0.150 0.000 1.240 93 G CA 0.912 46.060 45.100 0.079 0.000 0.985 93 G HN 0.279 nan 8.290 nan 0.000 0.555 94 K N 1.926 122.364 120.400 0.063 0.000 2.555 94 K HA 0.306 4.626 4.320 -0.000 0.000 0.193 94 K C 1.599 178.039 176.600 -0.267 0.000 1.032 94 K CA 0.855 57.152 56.287 0.017 0.000 1.004 94 K CB -0.314 32.232 32.500 0.076 0.000 0.804 94 K HN 1.937 nan 8.250 nan 0.000 0.496 95 G N 2.183 110.826 108.800 -0.261 0.000 2.314 95 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.292 95 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.292 95 G C 0.018 174.622 174.900 -0.493 0.000 1.059 95 G CA 0.103 44.920 45.100 -0.471 0.000 0.982 95 G HN 0.480 nan 8.290 nan 0.000 0.505 96 H N -1.215 117.808 119.070 -0.078 0.000 3.058 96 H HA 0.356 4.911 4.556 -0.000 0.000 0.266 96 H C 1.923 177.220 175.328 -0.051 0.000 1.135 96 H CA 0.825 56.834 56.048 -0.065 0.000 1.174 96 H CB 1.144 30.889 29.762 -0.029 0.000 1.581 96 H HN 1.244 nan 8.280 nan 0.000 0.553 97 G N 0.495 109.327 108.800 0.054 0.000 2.901 97 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.194 97 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.194 97 G C -0.096 174.841 174.900 0.062 0.000 1.020 97 G CA -0.069 45.061 45.100 0.049 0.000 0.787 97 G HN 0.273 nan 8.290 nan 0.000 0.477 98 D N 1.683 122.118 120.400 0.059 0.000 2.359 98 D HA 0.430 5.069 4.640 -0.000 0.000 0.250 98 D C 0.038 176.354 176.300 0.028 0.000 1.264 98 D CA 0.293 54.313 54.000 0.034 0.000 0.911 98 D CB 1.062 41.876 40.800 0.024 0.000 1.056 98 D HN 0.511 nan 8.370 nan 0.000 0.499 99 V N 4.692 124.618 119.914 0.020 0.000 2.769 99 V HA 0.582 4.702 4.120 -0.000 0.000 0.312 99 V C -0.842 175.186 176.094 -0.110 0.000 1.061 99 V CA -0.873 61.412 62.300 -0.026 0.000 0.931 99 V CB 2.011 33.868 31.823 0.057 0.000 1.010 99 V HN 0.360 nan 8.190 nan 0.000 0.433 100 R N 4.178 124.561 120.500 -0.194 0.000 2.349 100 R HA 0.459 4.799 4.340 -0.000 0.000 0.299 100 R C 0.394 176.571 176.300 -0.205 0.000 1.027 100 R CA -0.293 55.709 56.100 -0.163 0.000 0.958 100 R CB 1.203 31.419 30.300 -0.140 0.000 1.047 100 R HN 0.750 nan 8.270 nan 0.000 0.468 101 K N 0.538 120.847 120.400 -0.151 0.000 2.393 101 K HA 0.175 4.495 4.320 -0.000 0.000 0.193 101 K C 0.010 176.494 176.600 -0.192 0.000 1.026 101 K CA 0.334 56.511 56.287 -0.183 0.000 1.064 101 K CB 0.761 33.199 32.500 -0.104 0.000 0.833 101 K HN 0.140 nan 8.250 nan 0.000 0.521 102 V N 2.080 121.910 119.914 -0.140 0.000 2.577 102 V HA 0.220 4.340 4.120 -0.000 0.000 0.303 102 V C -1.044 174.951 176.094 -0.164 0.000 1.042 102 V CA -1.041 61.177 62.300 -0.135 0.000 0.872 102 V CB 1.830 33.619 31.823 -0.057 0.000 0.998 102 V HN 0.026 nan 8.190 nan 0.000 0.423 103 L N 8.430 129.469 121.223 -0.307 0.000 2.265 103 L HA 0.593 4.932 4.340 -0.000 0.000 0.288 103 L C -2.384 174.294 176.870 -0.321 0.000 1.058 103 L CA -1.582 52.995 54.840 -0.439 0.000 0.809 103 L CB 1.201 42.938 42.059 -0.536 0.000 1.179 103 L HN 0.398 nan 8.230 nan 0.000 0.429 104 P HA -0.053 nan 4.420 nan 0.000 0.259 104 P C 0.100 177.323 177.300 -0.129 0.000 1.163 104 P CA 0.242 63.215 63.100 -0.211 0.000 0.760 104 P CB 0.293 31.840 31.700 -0.254 0.000 0.762 105 R N 4.464 124.936 120.500 -0.047 0.000 2.139 105 R HA -0.215 4.125 4.340 -0.000 0.000 0.243 105 R C 0.956 177.269 176.300 0.020 0.000 1.145 105 R CA 1.622 57.725 56.100 0.005 0.000 0.976 105 R CB -0.787 29.531 30.300 0.030 0.000 0.866 105 R HN 0.387 nan 8.270 nan 0.000 0.449 106 N N 0.417 119.124 118.700 0.013 0.000 2.453 106 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 106 N C 1.402 176.953 175.510 0.068 0.000 1.041 106 N CA 0.956 54.040 53.050 0.056 0.000 0.900 106 N CB 0.132 38.653 38.487 0.057 0.000 0.961 106 N HN 0.333 nan 8.380 nan 0.000 0.443 107 I N 0.188 120.742 120.570 -0.027 0.000 3.565 107 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 107 I C 1.928 178.000 176.117 -0.076 0.000 1.193 107 I CA 0.321 61.561 61.300 -0.100 0.000 1.402 107 I CB -0.570 37.291 38.000 -0.232 0.000 1.284 107 I HN -0.152 nan 8.210 nan 0.000 0.454 108 A N 0.787 123.572 122.820 -0.059 0.000 1.940 108 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 108 A C 2.328 179.911 177.584 -0.002 0.000 1.176 108 A CA 2.091 54.142 52.037 0.022 0.000 0.631 108 A CB -0.906 18.101 19.000 0.012 0.000 0.814 108 A HN 0.267 nan 8.150 nan 0.000 0.446 109 V N 0.445 120.373 119.914 0.023 0.000 2.229 109 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 109 V C -0.041 176.051 176.094 -0.003 0.000 1.042 109 V CA 2.508 64.831 62.300 0.039 0.000 1.000 109 V CB -1.527 30.375 31.823 0.131 0.000 0.637 109 V HN 0.376 nan 8.190 nan 0.000 0.446 110 P HA -0.220 nan 4.420 nan 0.000 0.216 110 P C 1.599 178.933 177.300 0.056 0.000 1.153 110 P CA 1.620 64.815 63.100 0.159 0.000 0.858 110 P CB -0.187 31.732 31.700 0.365 0.000 0.789 111 Y N 0.124 120.310 120.300 -0.191 0.000 2.128 111 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 111 Y C 2.284 177.998 175.900 -0.309 0.000 1.154 111 Y CA 0.726 58.679 58.100 -0.245 0.000 1.149 111 Y CB -1.220 37.109 38.460 -0.218 0.000 0.976 111 Y HN -0.027 nan 8.280 nan 0.000 0.505 112 C N 0.277 119.259 119.300 -0.530 0.000 2.432 112 C HA -0.161 4.299 4.460 -0.000 0.000 0.280 112 C C 2.596 177.091 174.990 -0.826 0.000 1.353 112 C CA 1.100 59.470 59.018 -1.081 0.000 1.766 112 C CB -1.095 25.304 27.740 -2.235 0.000 1.924 112 C HN 0.614 nan 8.230 nan 0.000 0.509 113 Q N 0.003 119.540 119.800 -0.438 0.000 2.083 113 Q HA -0.122 4.218 4.340 -0.000 0.000 0.198 113 Q C 2.209 178.162 176.000 -0.078 0.000 0.969 113 Q CA 0.983 56.722 55.803 -0.107 0.000 0.838 113 Q CB -0.330 28.436 28.738 0.047 0.000 0.900 113 Q HN 0.536 nan 8.270 nan 0.000 0.436 114 L N 0.607 121.787 121.223 -0.072 0.000 2.046 114 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 114 L C 2.148 178.965 176.870 -0.088 0.000 1.077 114 L CA 1.677 56.498 54.840 -0.032 0.000 0.747 114 L CB -0.518 41.553 42.059 0.019 0.000 0.896 114 L HN 0.004 nan 8.230 nan 0.000 0.432 115 S N -0.415 115.161 115.700 -0.208 0.000 2.353 115 S HA -0.207 4.263 4.470 -0.000 0.000 0.222 115 S C 2.007 176.519 174.600 -0.148 0.000 1.035 115 S CA 1.332 59.382 58.200 -0.249 0.000 1.025 115 S CB -0.373 62.545 63.200 -0.471 0.000 0.902 115 S HN 0.375 nan 8.310 nan 0.000 0.440 116 K N 1.457 121.779 120.400 -0.131 0.000 2.074 116 K HA -0.156 4.163 4.320 -0.000 0.000 0.209 116 K C 2.186 178.785 176.600 -0.002 0.000 1.048 116 K CA 1.484 57.758 56.287 -0.022 0.000 0.926 116 K CB -0.324 32.208 32.500 0.053 0.000 0.713 116 K HN 0.265 nan 8.250 nan 0.000 0.444 117 K N 0.482 120.879 120.400 -0.006 0.000 2.097 117 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 117 K C 1.962 178.577 176.600 0.025 0.000 1.049 117 K CA 1.043 57.339 56.287 0.016 0.000 0.933 117 K CB 0.020 32.533 32.500 0.021 0.000 0.717 117 K HN 0.131 nan 8.250 nan 0.000 0.442 118 L N 0.663 121.894 121.223 0.013 0.000 2.592 118 L HA 0.094 4.434 4.340 -0.000 0.000 0.227 118 L C -0.227 176.656 176.870 0.022 0.000 1.127 118 L CA 0.218 55.084 54.840 0.042 0.000 0.884 118 L CB -0.036 42.046 42.059 0.038 0.000 1.065 118 L HN 0.255 nan 8.230 nan 0.000 0.457 119 E N 0.535 120.733 120.200 -0.004 0.000 2.416 119 E HA -0.198 4.152 4.350 -0.000 0.000 0.249 119 E C -0.568 176.007 176.600 -0.042 0.000 1.124 119 E CA 0.219 56.610 56.400 -0.015 0.000 0.732 119 E CB -1.506 28.195 29.700 0.001 0.000 1.286 119 E HN 0.389 nan 8.360 nan 0.000 0.394 120 L N 0.054 121.230 121.223 -0.078 0.000 2.388 120 L HA 0.550 4.890 4.340 -0.000 0.000 0.264 120 L C -2.087 174.650 176.870 -0.222 0.000 0.998 120 L CA -2.272 52.496 54.840 -0.119 0.000 0.817 120 L CB 1.780 43.797 42.059 -0.069 0.000 1.338 120 L HN -0.163 nan 8.230 nan 0.000 0.414 121 P HA 0.116 nan 4.420 nan 0.000 0.272 121 P C -2.619 174.305 177.300 -0.626 0.000 1.230 121 P CA -1.431 61.327 63.100 -0.571 0.000 0.788 121 P CB 0.052 31.321 31.700 -0.717 0.000 0.949 122 P HA 0.330 nan 4.420 nan 0.000 0.231 122 P C -0.263 176.862 177.300 -0.292 0.000 1.811 122 P CA 0.347 62.922 63.100 -0.876 0.000 1.051 122 P CB -0.265 30.932 31.700 -0.838 0.000 1.951 123 I N 1.504 122.032 120.570 -0.070 0.000 2.882 123 I HA 0.197 4.367 4.170 -0.000 0.000 0.298 123 I C -1.306 174.960 176.117 0.248 0.000 1.462 123 I CA -1.515 59.940 61.300 0.258 0.000 1.000 123 I CB 2.259 40.278 38.000 0.033 0.000 1.340 123 I HN -0.172 nan 8.210 nan 0.000 0.462 124 L N 6.239 127.627 121.223 0.273 0.000 2.584 124 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 124 L C -0.782 176.198 176.870 0.184 0.000 1.195 124 L CA 0.983 55.959 54.840 0.227 0.000 0.920 124 L CB 0.566 42.790 42.059 0.274 0.000 1.173 124 L HN 0.383 nan 8.230 nan 0.000 0.489 125 V N 6.134 126.149 119.914 0.169 0.000 2.960 125 V HA 0.162 4.281 4.120 -0.000 0.000 0.315 125 V C 0.492 176.702 176.094 0.194 0.000 1.087 125 V CA -0.513 61.901 62.300 0.190 0.000 0.982 125 V CB 1.826 33.774 31.823 0.207 0.000 1.039 125 V HN 0.814 nan 8.190 nan 0.000 0.437 126 Y N 3.670 124.024 120.300 0.090 0.000 2.102 126 Y HA -0.302 4.248 4.550 -0.000 0.000 0.280 126 Y C 2.125 178.059 175.900 0.056 0.000 1.178 126 Y CA 2.783 60.929 58.100 0.076 0.000 1.146 126 Y CB -0.273 38.227 38.460 0.067 0.000 0.968 126 Y HN 0.688 nan 8.280 nan 0.000 0.504 127 A N -0.225 122.717 122.820 0.203 0.000 2.139 127 A HA -0.192 4.128 4.320 -0.000 0.000 0.221 127 A C 1.783 179.377 177.584 0.016 0.000 1.159 127 A CA 1.988 54.093 52.037 0.113 0.000 0.662 127 A CB -0.616 18.490 19.000 0.177 0.000 0.796 127 A HN 0.645 nan 8.150 nan 0.000 0.463 128 D N -0.509 119.889 120.400 -0.004 0.000 2.394 128 D HA -0.067 4.572 4.640 -0.000 0.000 0.237 128 D C 2.110 178.323 176.300 -0.145 0.000 1.028 128 D CA 1.589 55.564 54.000 -0.041 0.000 0.937 128 D CB -0.852 39.949 40.800 0.001 0.000 1.072 128 D HN 0.625 nan 8.370 nan 0.000 0.457 129 C N 0.372 119.530 119.300 -0.235 0.000 2.511 129 C HA 0.234 4.694 4.460 -0.000 0.000 0.277 129 C C 2.059 176.543 174.990 -0.843 0.000 1.451 129 C CA -0.379 58.277 59.018 -0.603 0.000 1.735 129 C CB -1.012 26.321 27.740 -0.679 0.000 1.704 129 C HN 0.033 nan 8.230 nan 0.000 0.571 130 V N -0.165 119.438 119.914 -0.518 0.000 3.668 130 V HA 0.118 4.238 4.120 -0.000 0.000 0.199 130 V C 2.358 178.309 176.094 -0.239 0.000 1.241 130 V CA 0.373 62.390 62.300 -0.473 0.000 1.308 130 V CB -0.739 30.559 31.823 -0.874 0.000 1.411 130 V HN 0.329 nan 8.190 nan 0.000 0.535 131 L N 0.892 121.950 121.223 -0.275 0.000 2.089 131 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 131 L C 2.131 179.153 176.870 0.252 0.000 1.079 131 L CA 2.170 57.012 54.840 0.005 0.000 0.758 131 L CB -0.529 41.569 42.059 0.067 0.000 0.891 131 L HN 0.510 nan 8.230 nan 0.000 0.433 132 A N -1.719 121.180 122.820 0.133 0.000 2.431 132 A HA 0.085 4.405 4.320 -0.000 0.000 0.239 132 A C 0.864 178.468 177.584 0.033 0.000 1.230 132 A CA -0.164 51.931 52.037 0.096 0.000 0.928 132 A CB -0.124 18.878 19.000 0.004 0.000 1.006 132 A HN 0.288 nan 8.150 nan 0.000 0.520 133 N N 1.921 120.679 118.700 0.096 0.000 3.271 133 N HA 0.256 4.996 4.740 -0.000 0.000 0.303 133 N C -0.786 174.813 175.510 0.148 0.000 1.415 133 N CA -0.374 52.692 53.050 0.026 0.000 1.159 133 N CB -0.092 38.308 38.487 -0.145 0.000 1.432 133 N HN 0.579 nan 8.380 nan 0.000 0.521 134 W N 0.322 121.555 121.300 -0.110 0.000 3.005 134 W HA 0.510 5.169 4.660 -0.000 0.000 0.343 134 W C -1.635 174.822 176.519 -0.104 0.000 1.243 134 W CA -0.943 56.337 57.345 -0.109 0.000 1.186 134 W CB 0.134 29.538 29.460 -0.093 0.000 1.453 134 W HN 0.082 nan 8.180 nan 0.000 0.575 135 K N 0.872 121.278 120.400 0.010 0.000 2.587 135 K HA 0.503 4.823 4.320 -0.000 0.000 0.276 135 K C -1.324 175.314 176.600 0.064 0.000 0.956 135 K CA -1.016 55.177 56.287 -0.158 0.000 0.857 135 K CB 2.531 34.912 32.500 -0.199 0.000 1.431 135 K HN 0.492 nan 8.250 nan 0.000 0.420 136 K N 1.725 122.148 120.400 0.038 0.000 2.159 136 K HA 0.335 4.655 4.320 -0.000 0.000 0.266 136 K C -0.245 176.353 176.600 -0.003 0.000 0.975 136 K CA -0.894 55.434 56.287 0.068 0.000 0.865 136 K CB 2.096 34.668 32.500 0.118 0.000 1.087 136 K HN 0.623 nan 8.250 nan 0.000 0.446 137 K N 0.503 120.895 120.400 -0.012 0.000 2.025 137 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 137 K C 0.219 176.809 176.600 -0.018 0.000 1.049 137 K CA 1.320 57.591 56.287 -0.027 0.000 0.933 137 K CB 0.032 32.513 32.500 -0.031 0.000 0.714 137 K HN 0.620 nan 8.250 nan 0.000 0.438 138 D N -0.170 120.227 120.400 -0.005 0.000 2.460 138 D HA 0.150 4.790 4.640 -0.000 0.000 0.232 138 D C -2.239 174.065 176.300 0.006 0.000 1.079 138 D CA -2.488 51.512 54.000 -0.001 0.000 0.864 138 D CB 1.617 42.419 40.800 0.003 0.000 1.048 138 D HN -0.211 nan 8.370 nan 0.000 0.523 139 P HA -0.094 nan 4.420 nan 0.000 0.218 139 P C 0.546 177.854 177.300 0.013 0.000 1.146 139 P CA 0.885 63.988 63.100 0.005 0.000 0.813 139 P CB 0.315 32.011 31.700 -0.007 0.000 0.778 140 N N -1.198 117.508 118.700 0.010 0.000 2.268 140 N HA 0.067 4.807 4.740 -0.000 0.000 0.204 140 N C 0.380 175.899 175.510 0.015 0.000 1.124 140 N CA 0.434 53.491 53.050 0.012 0.000 0.838 140 N CB 0.423 38.914 38.487 0.007 0.000 0.994 140 N HN 0.314 nan 8.380 nan 0.000 0.489 141 K N 0.849 121.260 120.400 0.019 0.000 2.258 141 K HA 0.489 4.809 4.320 -0.000 0.000 0.236 141 K C -2.439 174.177 176.600 0.027 0.000 1.008 141 K CA -1.761 54.539 56.287 0.020 0.000 0.869 141 K CB 1.122 33.633 32.500 0.018 0.000 1.171 141 K HN -0.197 nan 8.250 nan 0.000 0.447 142 P HA 0.065 nan 4.420 nan 0.000 0.274 142 P C -0.602 176.714 177.300 0.027 0.000 1.260 142 P CA -0.252 62.862 63.100 0.024 0.000 0.793 142 P CB 0.420 32.132 31.700 0.019 0.000 1.048 143 L N 0.923 122.156 121.223 0.016 0.000 2.389 143 L HA 0.223 4.563 4.340 -0.000 0.000 0.265 143 L C -0.045 176.820 176.870 -0.009 0.000 1.167 143 L CA 0.207 55.045 54.840 -0.003 0.000 1.045 143 L CB -0.705 41.324 42.059 -0.050 0.000 1.351 143 L HN 0.322 nan 8.230 nan 0.000 0.419 144 T N -0.856 113.705 114.554 0.012 0.000 2.912 144 T HA 0.116 4.466 4.350 -0.000 0.000 0.288 144 T C 0.564 175.290 174.700 0.044 0.000 1.030 144 T CA -0.396 61.730 62.100 0.043 0.000 1.020 144 T CB 1.906 70.809 68.868 0.058 0.000 1.056 144 T HN 0.286 nan 8.240 nan 0.000 0.480 145 Y N 2.326 122.615 120.300 -0.018 0.000 2.102 145 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 145 Y C 2.323 178.192 175.900 -0.051 0.000 1.178 145 Y CA 2.037 60.103 58.100 -0.057 0.000 1.146 145 Y CB 0.021 38.433 38.460 -0.079 0.000 0.968 145 Y HN 0.641 nan 8.280 nan 0.000 0.504 146 E N -0.336 119.935 120.200 0.119 0.000 2.171 146 E HA -0.259 4.091 4.350 -0.000 0.000 0.197 146 E C 1.269 177.853 176.600 -0.026 0.000 0.997 146 E CA 1.564 58.003 56.400 0.065 0.000 0.810 146 E CB -0.808 28.954 29.700 0.103 0.000 0.738 146 E HN 0.475 nan 8.360 nan 0.000 0.467 147 N N -0.355 118.328 118.700 -0.028 0.000 2.279 147 N HA 0.111 4.850 4.740 -0.000 0.000 0.226 147 N C -0.547 174.935 175.510 -0.046 0.000 1.126 147 N CA 0.030 53.064 53.050 -0.026 0.000 0.846 147 N CB 0.138 38.629 38.487 0.006 0.000 1.050 147 N HN -0.000 nan 8.380 nan 0.000 0.502 148 M N -1.202 118.321 119.600 -0.129 0.000 2.631 148 M HA 0.407 4.887 4.480 -0.000 0.000 0.288 148 M C -1.473 174.705 176.300 -0.203 0.000 1.260 148 M CA -0.916 54.315 55.300 -0.117 0.000 0.842 148 M CB 2.428 34.969 32.600 -0.099 0.000 1.743 148 M HN -0.162 nan 8.290 nan 0.000 0.461 149 D N 0.505 120.843 120.400 -0.104 0.000 2.654 149 D HA 0.486 5.126 4.640 -0.000 0.000 0.231 149 D C -1.444 174.833 176.300 -0.039 0.000 1.239 149 D CA -0.265 53.665 54.000 -0.116 0.000 0.790 149 D CB 2.646 43.378 40.800 -0.113 0.000 1.480 149 D HN 0.481 nan 8.370 nan 0.000 0.442 150 V N 0.206 120.102 119.914 -0.030 0.000 3.214 150 V HA 0.448 4.568 4.120 -0.000 0.000 0.306 150 V C 1.324 177.334 176.094 -0.141 0.000 1.078 150 V CA -0.325 61.979 62.300 0.006 0.000 1.077 150 V CB 0.982 32.878 31.823 0.123 0.000 1.121 150 V HN 0.596 nan 8.190 nan 0.000 0.468 151 L N -0.083 120.999 121.223 -0.235 0.000 2.298 151 L HA 0.391 4.731 4.340 -0.000 0.000 0.209 151 L C 0.045 176.291 176.870 -1.040 0.000 1.084 151 L CA 0.850 55.317 54.840 -0.621 0.000 0.816 151 L CB -0.031 41.636 42.059 -0.655 0.000 0.967 151 L HN 0.538 nan 8.230 nan 0.000 0.460 152 F N -1.318 118.561 119.950 -0.119 0.000 2.588 152 F HA 0.489 5.016 4.527 -0.000 0.000 0.310 152 F C -0.027 175.667 175.800 -0.177 0.000 1.082 152 F CA -0.648 57.245 58.000 -0.177 0.000 0.929 152 F CB 2.005 40.862 39.000 -0.239 0.000 1.254 152 F HN -0.347 nan 8.300 nan 0.000 0.455 153 S N 1.128 116.783 115.700 -0.074 0.000 2.632 153 S HA 0.566 5.036 4.470 -0.000 0.000 0.289 153 S C -0.089 174.311 174.600 -0.334 0.000 1.115 153 S CA -0.513 57.594 58.200 -0.155 0.000 0.889 153 S CB 1.601 64.775 63.200 -0.044 0.000 1.116 153 S HN 0.451 nan 8.310 nan 0.000 0.486 154 F N 1.277 121.192 119.950 -0.058 0.000 2.243 154 F HA 0.362 4.889 4.527 -0.000 0.000 0.287 154 F C 1.304 176.931 175.800 -0.289 0.000 1.067 154 F CA 0.505 58.329 58.000 -0.293 0.000 1.304 154 F CB 0.235 38.850 39.000 -0.643 0.000 1.087 154 F HN 0.167 nan 8.300 nan 0.000 0.513 155 R N 0.252 120.743 120.500 -0.014 0.000 2.740 155 R HA 0.214 4.554 4.340 -0.000 0.000 0.273 155 R C -1.396 174.920 176.300 0.028 0.000 0.998 155 R CA -0.985 55.112 56.100 -0.004 0.000 0.900 155 R CB 1.517 31.821 30.300 0.006 0.000 1.223 155 R HN -0.094 nan 8.270 nan 0.000 0.466 156 D N 0.632 121.052 120.400 0.033 0.000 2.488 156 D HA 0.059 4.699 4.640 -0.000 0.000 0.238 156 D C 1.227 177.560 176.300 0.055 0.000 1.138 156 D CA 1.602 55.627 54.000 0.041 0.000 0.873 156 D CB 0.697 41.523 40.800 0.042 0.000 1.183 156 D HN 0.811 nan 8.370 nan 0.000 0.458 157 G N 2.852 111.689 108.800 0.061 0.000 2.179 157 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.257 157 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.257 157 G C 0.593 175.543 174.900 0.083 0.000 1.010 157 G CA 0.689 45.834 45.100 0.075 0.000 0.736 157 G HN 0.648 nan 8.290 nan 0.000 0.513 158 D N -1.120 119.327 120.400 0.077 0.000 2.340 158 D HA 0.146 4.786 4.640 -0.000 0.000 0.220 158 D C 1.394 177.747 176.300 0.089 0.000 1.039 158 D CA 0.229 54.276 54.000 0.078 0.000 0.866 158 D CB -0.783 40.068 40.800 0.085 0.000 0.913 158 D HN 0.843 nan 8.370 nan 0.000 0.523 159 C N 0.755 120.119 119.300 0.107 0.000 4.331 159 C HA -0.190 4.270 4.460 -0.000 0.000 0.293 159 C C 2.262 177.314 174.990 0.103 0.000 1.436 159 C CA 0.750 59.852 59.018 0.140 0.000 1.993 159 C CB -3.188 24.671 27.740 0.197 0.000 1.266 159 C HN 0.617 nan 8.230 nan 0.000 0.795 160 S N 0.113 115.825 115.700 0.020 0.000 2.402 160 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 160 S C 1.654 176.202 174.600 -0.086 0.000 1.021 160 S CA 1.465 59.547 58.200 -0.197 0.000 0.974 160 S CB -0.140 62.996 63.200 -0.107 0.000 0.800 160 S HN 0.864 nan 8.310 nan 0.000 0.484 161 K N 1.821 122.276 120.400 0.091 0.000 1.985 161 K HA -0.051 4.269 4.320 -0.000 0.000 0.210 161 K C 2.355 179.087 176.600 0.221 0.000 1.047 161 K CA 1.522 57.899 56.287 0.150 0.000 0.932 161 K CB -1.160 31.403 32.500 0.105 0.000 0.716 161 K HN 0.399 nan 8.250 nan 0.000 0.439 162 G N 0.840 109.804 108.800 0.272 0.000 2.514 162 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.217 162 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.217 162 G C 1.354 176.409 174.900 0.259 0.000 1.198 162 G CA 0.991 46.293 45.100 0.336 0.000 0.780 162 G HN 0.398 nan 8.290 nan 0.000 0.565 163 F N 0.981 120.949 119.950 0.030 0.000 2.046 163 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 163 F C 2.455 178.303 175.800 0.079 0.000 1.123 163 F CA 1.164 59.148 58.000 -0.025 0.000 1.199 163 F CB -0.564 38.378 39.000 -0.095 0.000 0.972 163 F HN 0.106 nan 8.300 nan 0.000 0.474 164 F N 0.483 120.473 119.950 0.067 0.000 2.069 164 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 164 F C 2.466 178.190 175.800 -0.126 0.000 1.113 164 F CA 1.306 59.256 58.000 -0.083 0.000 1.214 164 F CB -1.533 37.496 39.000 0.049 0.000 0.978 164 F HN -0.009 nan 8.300 nan 0.000 0.474 165 L N -0.958 120.367 121.223 0.170 0.000 2.093 165 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 165 L C 2.375 179.278 176.870 0.055 0.000 1.085 165 L CA 0.608 55.495 54.840 0.077 0.000 0.755 165 L CB -0.716 41.383 42.059 0.066 0.000 0.904 165 L HN -0.030 nan 8.230 nan 0.000 0.435 166 V N -0.963 118.996 119.914 0.074 0.000 2.407 166 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 166 V C 2.570 178.571 176.094 -0.155 0.000 1.055 166 V CA 1.882 64.179 62.300 -0.006 0.000 1.049 166 V CB -0.181 31.633 31.823 -0.014 0.000 0.662 166 V HN 0.366 nan 8.190 nan 0.000 0.455 167 S N -0.326 115.236 115.700 -0.230 0.000 2.356 167 S HA -0.119 4.351 4.470 -0.000 0.000 0.223 167 S C 1.929 176.459 174.600 -0.116 0.000 1.032 167 S CA 1.399 59.462 58.200 -0.227 0.000 1.005 167 S CB -0.349 62.702 63.200 -0.247 0.000 0.867 167 S HN 0.475 nan 8.310 nan 0.000 0.449 168 L N 1.426 122.563 121.223 -0.144 0.000 1.990 168 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 168 L C 2.126 178.891 176.870 -0.176 0.000 1.072 168 L CA 1.627 56.344 54.840 -0.204 0.000 0.755 168 L CB -0.495 41.379 42.059 -0.309 0.000 0.889 168 L HN 0.352 nan 8.230 nan 0.000 0.432 169 L N -1.223 119.918 121.223 -0.137 0.000 2.079 169 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 169 L C 2.474 179.305 176.870 -0.065 0.000 1.081 169 L CA 0.886 55.668 54.840 -0.096 0.000 0.752 169 L CB -0.577 41.467 42.059 -0.026 0.000 0.896 169 L HN 0.147 nan 8.230 nan 0.000 0.433 170 V N -0.199 119.673 119.914 -0.069 0.000 2.307 170 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 170 V C 2.505 178.631 176.094 0.054 0.000 1.045 170 V CA 1.889 64.172 62.300 -0.027 0.000 1.024 170 V CB -0.309 31.445 31.823 -0.115 0.000 0.651 170 V HN 0.428 nan 8.190 nan 0.000 0.449 171 E N 0.524 120.764 120.200 0.067 0.000 2.070 171 E HA -0.241 4.109 4.350 -0.000 0.000 0.197 171 E C 1.966 178.610 176.600 0.074 0.000 1.004 171 E CA 1.977 58.461 56.400 0.140 0.000 0.805 171 E CB -0.345 29.430 29.700 0.125 0.000 0.744 171 E HN 0.601 nan 8.360 nan 0.000 0.451 172 I N 0.080 120.636 120.570 -0.022 0.000 2.315 172 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 172 I C 2.341 178.439 176.117 -0.031 0.000 1.117 172 I CA 0.852 62.117 61.300 -0.058 0.000 1.404 172 I CB -0.409 37.511 38.000 -0.133 0.000 1.071 172 I HN 0.214 nan 8.210 nan 0.000 0.419 173 A N 0.870 123.677 122.820 -0.021 0.000 1.902 173 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 173 A C 2.499 180.076 177.584 -0.012 0.000 1.181 173 A CA 1.804 53.827 52.037 -0.023 0.000 0.623 173 A CB -0.686 18.299 19.000 -0.024 0.000 0.818 173 A HN 0.426 nan 8.150 nan 0.000 0.443 174 A N -0.456 122.380 122.820 0.028 0.000 2.066 174 A HA 0.308 4.628 4.320 -0.000 0.000 0.218 174 A C 2.302 179.962 177.584 0.127 0.000 1.157 174 A CA 1.485 53.566 52.037 0.074 0.000 0.670 174 A CB -0.707 18.384 19.000 0.152 0.000 0.804 174 A HN 0.998 nan 8.150 nan 0.000 0.453 175 A N -0.366 122.483 122.820 0.049 0.000 2.067 175 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 175 A C 2.239 179.807 177.584 -0.026 0.000 1.158 175 A CA 1.656 53.676 52.037 -0.028 0.000 0.661 175 A CB -0.608 18.346 19.000 -0.077 0.000 0.801 175 A HN 0.418 nan 8.150 nan 0.000 0.452 176 S N -0.331 115.364 115.700 -0.009 0.000 2.447 176 S HA 0.055 4.524 4.470 -0.000 0.000 0.233 176 S C 2.012 176.614 174.600 0.004 0.000 1.006 176 S CA 0.960 59.150 58.200 -0.017 0.000 0.957 176 S CB -0.154 63.028 63.200 -0.029 0.000 0.773 176 S HN 0.781 nan 8.310 nan 0.000 0.507 177 A N 1.340 124.197 122.820 0.061 0.000 1.997 177 A HA 0.171 4.491 4.320 -0.000 0.000 0.212 177 A C 1.856 179.548 177.584 0.180 0.000 1.178 177 A CA 0.227 52.334 52.037 0.117 0.000 0.698 177 A CB -0.295 18.769 19.000 0.107 0.000 0.842 177 A HN 0.352 nan 8.150 nan 0.000 0.458 178 I N 1.721 122.381 120.570 0.151 0.000 2.145 178 I HA -0.337 3.833 4.170 -0.000 0.000 0.244 178 I C 2.427 178.533 176.117 -0.019 0.000 1.075 178 I CA 2.338 63.629 61.300 -0.014 0.000 1.332 178 I CB -1.180 36.664 38.000 -0.259 0.000 1.033 178 I HN 0.593 nan 8.210 nan 0.000 0.410 179 K N 1.375 121.753 120.400 -0.038 0.000 2.442 179 K HA -0.109 4.211 4.320 -0.000 0.000 0.199 179 K C 1.630 178.232 176.600 0.003 0.000 1.044 179 K CA 1.542 57.813 56.287 -0.026 0.000 0.941 179 K CB -0.618 31.862 32.500 -0.033 0.000 0.759 179 K HN 0.425 nan 8.250 nan 0.000 0.472 180 V N -1.519 118.403 119.914 0.013 0.000 3.650 180 V HA 0.033 4.153 4.120 -0.000 0.000 0.271 180 V C 1.794 177.879 176.094 -0.015 0.000 1.281 180 V CA -0.031 62.268 62.300 -0.002 0.000 1.120 180 V CB -0.440 31.374 31.823 -0.014 0.000 0.856 180 V HN 0.114 nan 8.190 nan 0.000 0.443 181 I N 1.422 122.002 120.570 0.016 0.000 2.151 181 I HA -0.112 4.058 4.170 -0.000 0.000 0.243 181 I C 0.307 176.413 176.117 -0.018 0.000 1.080 181 I CA 1.896 63.187 61.300 -0.016 0.000 1.339 181 I CB -2.582 35.486 38.000 0.113 0.000 1.039 181 I HN 0.358 nan 8.210 nan 0.000 0.409 182 P HA -0.116 nan 4.420 nan 0.000 0.215 182 P C 1.788 179.125 177.300 0.062 0.000 1.153 182 P CA 1.809 64.995 63.100 0.145 0.000 0.853 182 P CB -0.182 31.588 31.700 0.116 0.000 0.788 183 T N -0.557 113.998 114.554 0.002 0.000 2.665 183 T HA -0.148 4.201 4.350 -0.000 0.000 0.268 183 T C 1.818 176.464 174.700 -0.089 0.000 1.035 183 T CA 1.551 63.634 62.100 -0.028 0.000 1.151 183 T CB -1.236 67.609 68.868 -0.037 0.000 0.862 183 T HN -0.110 nan 8.240 nan 0.000 0.438 184 V N 0.913 120.711 119.914 -0.193 0.000 2.252 184 V HA -0.184 3.936 4.120 -0.000 0.000 0.249 184 V C 2.205 178.078 176.094 -0.369 0.000 1.056 184 V CA 1.857 63.942 62.300 -0.359 0.000 1.022 184 V CB -0.875 30.599 31.823 -0.582 0.000 0.641 184 V HN 0.374 nan 8.190 nan 0.000 0.445 185 F N 0.324 120.242 119.950 -0.053 0.000 2.186 185 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 185 F C 2.308 178.091 175.800 -0.027 0.000 1.090 185 F CA 1.656 59.629 58.000 -0.046 0.000 1.307 185 F CB -0.758 38.226 39.000 -0.026 0.000 1.019 185 F HN 0.054 nan 8.300 nan 0.000 0.489 186 K N 0.818 121.298 120.400 0.133 0.000 1.991 186 K HA -0.133 4.186 4.320 -0.000 0.000 0.212 186 K C 2.268 178.899 176.600 0.052 0.000 1.049 186 K CA 1.572 57.911 56.287 0.087 0.000 0.932 186 K CB -0.791 31.745 32.500 0.059 0.000 0.717 186 K HN 0.093 nan 8.250 nan 0.000 0.441 187 A N 0.443 123.262 122.820 -0.003 0.000 1.958 187 A HA -0.254 4.066 4.320 -0.000 0.000 0.221 187 A C 2.222 179.801 177.584 -0.010 0.000 1.178 187 A CA 2.275 54.297 52.037 -0.024 0.000 0.642 187 A CB -0.624 18.325 19.000 -0.085 0.000 0.816 187 A HN 0.443 nan 8.150 nan 0.000 0.453 188 M N -0.766 118.798 119.600 -0.061 0.000 2.132 188 M HA -0.226 4.254 4.480 -0.000 0.000 0.263 188 M C 2.497 178.975 176.300 0.298 0.000 1.065 188 M CA 2.028 57.342 55.300 0.024 0.000 1.122 188 M CB -0.289 32.267 32.600 -0.073 0.000 1.365 188 M HN 0.765 nan 8.290 nan 0.000 0.411 189 Q N -0.945 118.964 119.800 0.183 0.000 2.212 189 Q HA -0.037 4.303 4.340 -0.000 0.000 0.199 189 Q C 1.620 177.692 176.000 0.119 0.000 0.950 189 Q CA 0.910 56.805 55.803 0.154 0.000 0.863 189 Q CB -0.248 28.558 28.738 0.113 0.000 0.944 189 Q HN 0.275 nan 8.270 nan 0.000 0.465 190 M N 0.432 120.094 119.600 0.103 0.000 2.659 190 M HA 0.053 4.533 4.480 -0.000 0.000 0.243 190 M C 0.068 176.422 176.300 0.089 0.000 1.111 190 M CA 0.717 56.063 55.300 0.077 0.000 1.070 190 M CB -0.112 32.523 32.600 0.058 0.000 1.525 190 M HN 0.357 nan 8.290 nan 0.000 0.517 191 Q N 0.754 120.639 119.800 0.141 0.000 2.480 191 Q HA -0.197 4.142 4.340 -0.000 0.000 0.265 191 Q C -0.777 175.301 176.000 0.130 0.000 1.072 191 Q CA 0.622 56.525 55.803 0.167 0.000 1.018 191 Q CB -1.237 27.560 28.738 0.099 0.000 1.433 191 Q HN 0.353 nan 8.270 nan 0.000 0.513 192 E N 0.298 120.556 120.200 0.097 0.000 1.814 192 E HA 0.009 4.359 4.350 -0.000 0.000 0.264 192 E C 1.011 177.644 176.600 0.056 0.000 1.179 192 E CA -0.134 56.301 56.400 0.059 0.000 0.972 192 E CB 0.461 30.180 29.700 0.031 0.000 1.077 192 E HN 0.272 nan 8.360 nan 0.000 0.417 193 R N 2.789 123.337 120.500 0.079 0.000 2.080 193 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 193 R C 0.529 176.849 176.300 0.033 0.000 1.137 193 R CA 1.503 57.650 56.100 0.079 0.000 0.943 193 R CB 0.146 30.497 30.300 0.085 0.000 0.846 193 R HN 0.331 nan 8.270 nan 0.000 0.431 194 D N -0.377 120.037 120.400 0.024 0.000 2.218 194 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 194 D C 1.652 177.949 176.300 -0.004 0.000 0.976 194 D CA 1.485 55.490 54.000 0.009 0.000 0.853 194 D CB -0.148 40.657 40.800 0.009 0.000 0.939 194 D HN 0.317 nan 8.370 nan 0.000 0.481 195 T N 1.254 115.804 114.554 -0.007 0.000 2.812 195 T HA -0.018 4.332 4.350 -0.000 0.000 0.264 195 T C 2.059 176.731 174.700 -0.046 0.000 1.042 195 T CA 0.059 62.146 62.100 -0.022 0.000 1.140 195 T CB -0.150 68.707 68.868 -0.017 0.000 0.870 195 T HN 0.119 nan 8.240 nan 0.000 0.445 196 L N 0.792 121.977 121.223 -0.064 0.000 1.989 196 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 196 L C 2.443 179.262 176.870 -0.085 0.000 1.071 196 L CA 1.538 56.307 54.840 -0.119 0.000 0.749 196 L CB -0.431 41.519 42.059 -0.181 0.000 0.890 196 L HN 0.250 nan 8.230 nan 0.000 0.431 197 L N 0.451 121.647 121.223 -0.045 0.000 2.012 197 L HA -0.297 4.042 4.340 -0.000 0.000 0.210 197 L C 2.608 179.458 176.870 -0.032 0.000 1.073 197 L CA 2.083 56.907 54.840 -0.026 0.000 0.748 197 L CB -0.669 41.387 42.059 -0.006 0.000 0.891 197 L HN 0.206 nan 8.230 nan 0.000 0.431 198 K N -0.748 119.632 120.400 -0.032 0.000 2.009 198 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 198 K C 2.023 178.597 176.600 -0.044 0.000 1.049 198 K CA 1.650 57.917 56.287 -0.033 0.000 0.929 198 K CB -0.398 32.086 32.500 -0.027 0.000 0.714 198 K HN 0.470 nan 8.250 nan 0.000 0.440 199 A N 1.517 124.304 122.820 -0.054 0.000 1.892 199 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 199 A C 2.194 179.735 177.584 -0.071 0.000 1.188 199 A CA 1.676 53.674 52.037 -0.065 0.000 0.631 199 A CB -0.783 18.166 19.000 -0.085 0.000 0.822 199 A HN 0.369 nan 8.150 nan 0.000 0.447 200 L N -0.809 120.371 121.223 -0.072 0.000 2.042 200 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 200 L C 2.622 179.447 176.870 -0.074 0.000 1.076 200 L CA 1.313 56.113 54.840 -0.067 0.000 0.749 200 L CB -0.615 41.423 42.059 -0.036 0.000 0.893 200 L HN 0.401 nan 8.230 nan 0.000 0.432 201 L N -0.912 120.274 121.223 -0.061 0.000 2.046 201 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 201 L C 2.769 179.593 176.870 -0.075 0.000 1.077 201 L CA 0.971 55.773 54.840 -0.064 0.000 0.747 201 L CB -0.554 41.477 42.059 -0.046 0.000 0.896 201 L HN 0.271 nan 8.230 nan 0.000 0.432 202 E N 0.627 120.787 120.200 -0.068 0.000 2.038 202 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 202 E C 2.278 178.822 176.600 -0.093 0.000 1.000 202 E CA 1.450 57.809 56.400 -0.068 0.000 0.803 202 E CB -0.174 29.494 29.700 -0.053 0.000 0.750 202 E HN 0.464 nan 8.360 nan 0.000 0.448 203 I N 0.821 121.330 120.570 -0.102 0.000 2.118 203 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 203 I C 2.551 178.530 176.117 -0.230 0.000 1.070 203 I CA 1.298 62.505 61.300 -0.155 0.000 1.327 203 I CB -0.447 37.472 38.000 -0.135 0.000 1.034 203 I HN 0.049 nan 8.210 nan 0.000 0.405 204 A N -0.156 122.547 122.820 -0.195 0.000 1.917 204 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 204 A C 2.489 179.967 177.584 -0.177 0.000 1.182 204 A CA 2.481 54.397 52.037 -0.202 0.000 0.633 204 A CB -0.989 17.919 19.000 -0.152 0.000 0.819 204 A HN 0.449 nan 8.150 nan 0.000 0.448 205 S N -1.117 114.502 115.700 -0.135 0.000 2.353 205 S HA -0.231 4.239 4.470 -0.000 0.000 0.222 205 S C 2.009 176.533 174.600 -0.127 0.000 1.035 205 S CA 1.755 59.888 58.200 -0.112 0.000 1.025 205 S CB -0.917 62.233 63.200 -0.083 0.000 0.902 205 S HN 0.675 nan 8.310 nan 0.000 0.440 206 C N 1.229 120.444 119.300 -0.141 0.000 2.413 206 C HA -0.002 4.457 4.460 -0.000 0.000 0.276 206 C C 2.520 177.397 174.990 -0.188 0.000 1.248 206 C CA 0.751 59.684 59.018 -0.143 0.000 1.742 206 C CB -1.607 26.053 27.740 -0.134 0.000 2.017 206 C HN 0.597 nan 8.230 nan 0.000 0.481 207 L N 0.332 121.391 121.223 -0.274 0.000 2.217 207 L HA -0.105 4.235 4.340 -0.000 0.000 0.211 207 L C 2.433 179.181 176.870 -0.204 0.000 1.107 207 L CA 1.341 55.995 54.840 -0.311 0.000 0.783 207 L CB -0.679 41.113 42.059 -0.445 0.000 0.919 207 L HN 0.484 nan 8.230 nan 0.000 0.442 208 E N 0.140 120.238 120.200 -0.170 0.000 2.216 208 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 208 E C 1.941 178.466 176.600 -0.125 0.000 0.988 208 E CA 0.583 56.902 56.400 -0.135 0.000 0.834 208 E CB 0.172 29.802 29.700 -0.115 0.000 0.772 208 E HN 0.422 nan 8.360 nan 0.000 0.479 209 K N 0.538 120.870 120.400 -0.115 0.000 2.243 209 K HA 0.066 4.386 4.320 -0.000 0.000 0.201 209 K C 2.108 178.654 176.600 -0.090 0.000 1.051 209 K CA 0.707 56.936 56.287 -0.096 0.000 0.970 209 K CB 0.124 32.578 32.500 -0.077 0.000 0.755 209 K HN 0.009 nan 8.250 nan 0.000 0.465 210 A N 1.527 124.296 122.820 -0.084 0.000 1.930 210 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 210 A C 2.063 179.648 177.584 0.001 0.000 1.175 210 A CA 1.007 53.024 52.037 -0.034 0.000 0.627 210 A CB -0.409 18.573 19.000 -0.030 0.000 0.815 210 A HN 0.227 nan 8.150 nan 0.000 0.443 211 L N -0.632 120.555 121.223 -0.060 0.000 2.083 211 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 211 L C 2.307 178.938 176.870 -0.399 0.000 1.083 211 L CA 2.464 57.219 54.840 -0.142 0.000 0.752 211 L CB -0.803 41.126 42.059 -0.217 0.000 0.899 211 L HN 0.369 nan 8.230 nan 0.000 0.433 212 Q N -0.685 118.900 119.800 -0.358 0.000 2.061 212 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 212 Q C 2.242 178.087 176.000 -0.258 0.000 0.984 212 Q CA 2.197 57.737 55.803 -0.437 0.000 0.846 212 Q CB -0.612 28.011 28.738 -0.193 0.000 0.902 212 Q HN 0.432 nan 8.270 nan 0.000 0.421 213 V N 0.215 120.073 119.914 -0.093 0.000 2.392 213 V HA -0.234 3.886 4.120 -0.000 0.000 0.249 213 V C 1.907 178.053 176.094 0.086 0.000 1.059 213 V CA 1.623 63.926 62.300 0.004 0.000 1.051 213 V CB -0.650 31.172 31.823 -0.002 0.000 0.658 213 V HN 0.331 nan 8.190 nan 0.000 0.455 214 F N 0.537 120.442 119.950 -0.075 0.000 2.250 214 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 214 F C 2.380 178.295 175.800 0.191 0.000 1.077 214 F CA 1.430 59.459 58.000 0.048 0.000 1.348 214 F CB -0.510 38.521 39.000 0.052 0.000 1.040 214 F HN 0.301 nan 8.300 nan 0.000 0.509 215 H N -0.005 119.231 119.070 0.276 0.000 2.387 215 H HA -0.170 4.386 4.556 -0.000 0.000 0.299 215 H C 2.130 177.615 175.328 0.261 0.000 1.099 215 H CA 1.563 57.785 56.048 0.289 0.000 1.315 215 H CB -0.758 29.075 29.762 0.119 0.000 1.380 215 H HN 0.420 nan 8.280 nan 0.000 0.513 216 Q N -0.262 119.700 119.800 0.271 0.000 2.308 216 Q HA -0.133 4.207 4.340 -0.000 0.000 0.209 216 Q C 2.207 178.222 176.000 0.024 0.000 0.985 216 Q CA 0.517 56.374 55.803 0.091 0.000 0.881 216 Q CB -0.067 28.727 28.738 0.094 0.000 0.917 216 Q HN 0.385 nan 8.270 nan 0.000 0.443 217 I N 0.919 121.556 120.570 0.110 0.000 2.315 217 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 217 I C 1.830 177.905 176.117 -0.070 0.000 1.125 217 I CA 1.756 63.048 61.300 -0.013 0.000 1.392 217 I CB -0.459 37.526 38.000 -0.026 0.000 1.065 217 I HN 0.375 nan 8.210 nan 0.000 0.424 218 H N 0.251 119.393 119.070 0.120 0.000 2.462 218 H HA -0.061 4.495 4.556 -0.000 0.000 0.292 218 H C 1.398 176.721 175.328 -0.007 0.000 1.049 218 H CA 1.204 57.333 56.048 0.135 0.000 1.334 218 H CB 0.043 29.867 29.762 0.103 0.000 1.404 218 H HN 0.411 nan 8.280 nan 0.000 0.544 219 D N -0.077 120.264 120.400 -0.099 0.000 2.323 219 D HA -0.052 4.588 4.640 -0.000 0.000 0.209 219 D C 1.051 177.030 176.300 -0.536 0.000 0.973 219 D CA 0.768 54.541 54.000 -0.379 0.000 0.874 219 D CB 0.137 40.569 40.800 -0.613 0.000 0.930 219 D HN 0.565 nan 8.370 nan 0.000 0.521 220 H N -0.967 118.092 119.070 -0.019 0.000 3.078 220 H HA 0.304 4.860 4.556 -0.000 0.000 0.263 220 H C -0.235 175.151 175.328 0.096 0.000 1.177 220 H CA 0.035 56.075 56.048 -0.013 0.000 1.128 220 H CB 1.362 31.011 29.762 -0.188 0.000 1.623 220 H HN -0.143 nan 8.280 nan 0.000 0.592 221 V N 2.499 122.536 119.914 0.205 0.000 2.569 221 V HA 0.132 4.252 4.120 -0.000 0.000 0.301 221 V C 0.048 176.371 176.094 0.381 0.000 1.044 221 V CA -1.125 61.340 62.300 0.274 0.000 0.874 221 V CB 2.614 34.538 31.823 0.169 0.000 1.002 221 V HN 0.352 nan 8.190 nan 0.000 0.424 222 N N 5.821 124.699 118.700 0.297 0.000 2.434 222 N HA 0.268 5.008 4.740 -0.000 0.000 0.272 222 N C -1.972 173.666 175.510 0.213 0.000 1.040 222 N CA -1.485 51.684 53.050 0.198 0.000 0.956 222 N CB 2.637 41.206 38.487 0.137 0.000 1.108 222 N HN 0.206 nan 8.380 nan 0.000 0.481 223 P HA -0.225 nan 4.420 nan 0.000 0.217 223 P C 1.208 178.610 177.300 0.171 0.000 1.158 223 P CA 1.761 64.810 63.100 -0.085 0.000 0.887 223 P CB 0.219 31.712 31.700 -0.344 0.000 0.792 224 K N -0.603 119.864 120.400 0.112 0.000 2.002 224 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 224 K C 2.060 178.765 176.600 0.176 0.000 1.048 224 K CA 1.586 57.964 56.287 0.151 0.000 0.930 224 K CB -0.755 31.799 32.500 0.090 0.000 0.714 224 K HN -0.047 nan 8.250 nan 0.000 0.438 225 A N 1.019 123.931 122.820 0.154 0.000 1.892 225 A HA -0.221 4.098 4.320 -0.000 0.000 0.218 225 A C 2.065 179.715 177.584 0.111 0.000 1.188 225 A CA 1.797 53.910 52.037 0.126 0.000 0.631 225 A CB -1.002 18.081 19.000 0.139 0.000 0.822 225 A HN 0.566 nan 8.150 nan 0.000 0.447 226 F N -0.712 119.290 119.950 0.086 0.000 2.075 226 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 226 F C 1.968 177.769 175.800 0.002 0.000 1.113 226 F CA 2.126 60.146 58.000 0.034 0.000 1.218 226 F CB -0.535 38.539 39.000 0.123 0.000 0.984 226 F HN 0.268 nan 8.300 nan 0.000 0.472 227 F N 1.061 121.024 119.950 0.022 0.000 2.134 227 F HA -0.137 4.389 4.527 -0.000 0.000 0.299 227 F C 2.607 178.287 175.800 -0.200 0.000 1.097 227 F CA 1.791 59.731 58.000 -0.099 0.000 1.264 227 F CB -0.724 38.316 39.000 0.067 0.000 1.001 227 F HN 0.111 nan 8.300 nan 0.000 0.479 228 S N -1.860 113.706 115.700 -0.223 0.000 2.524 228 S HA 0.134 4.604 4.470 -0.000 0.000 0.216 228 S C 1.315 175.748 174.600 -0.278 0.000 0.987 228 S CA 0.650 58.686 58.200 -0.274 0.000 0.909 228 S CB -0.080 63.113 63.200 -0.011 0.000 0.781 228 S HN 0.153 nan 8.310 nan 0.000 0.521 229 V N 0.703 120.469 119.914 -0.248 0.000 3.671 229 V HA 0.272 4.392 4.120 -0.000 0.000 0.202 229 V C 2.065 178.054 176.094 -0.175 0.000 1.188 229 V CA 0.163 62.373 62.300 -0.150 0.000 1.325 229 V CB -0.851 30.970 31.823 -0.003 0.000 1.470 229 V HN 0.320 nan 8.190 nan 0.000 0.520 230 L N 0.675 121.775 121.223 -0.205 0.000 1.978 230 L HA -0.297 4.043 4.340 -0.000 0.000 0.218 230 L C 2.792 179.388 176.870 -0.457 0.000 1.075 230 L CA 2.612 57.307 54.840 -0.241 0.000 0.767 230 L CB -0.397 41.462 42.059 -0.333 0.000 0.890 230 L HN 0.381 nan 8.230 nan 0.000 0.434 231 R N -0.187 119.808 120.500 -0.842 0.000 2.154 231 R HA -0.237 4.103 4.340 -0.000 0.000 0.248 231 R C 2.101 178.029 176.300 -0.620 0.000 1.155 231 R CA 1.730 57.345 56.100 -0.810 0.000 0.979 231 R CB -0.137 29.588 30.300 -0.958 0.000 0.869 231 R HN 0.368 nan 8.270 nan 0.000 0.452 232 I N 0.059 120.233 120.570 -0.659 0.000 2.163 232 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 232 I C 1.851 177.366 176.117 -1.003 0.000 1.081 232 I CA 1.529 62.324 61.300 -0.842 0.000 1.353 232 I CB -1.412 36.071 38.000 -0.862 0.000 1.054 232 I HN 0.178 nan 8.210 nan 0.000 0.407 233 Y N 0.554 120.470 120.300 -0.640 0.000 2.497 233 Y HA -0.035 4.515 4.550 -0.000 0.000 0.292 233 Y C 2.347 178.013 175.900 -0.391 0.000 1.137 233 Y CA 0.603 58.333 58.100 -0.617 0.000 1.285 233 Y CB -0.412 37.325 38.460 -1.204 0.000 0.991 233 Y HN 0.086 nan 8.280 nan 0.000 0.556 234 L N -1.182 119.928 121.223 -0.189 0.000 2.591 234 L HA 0.060 4.400 4.340 -0.000 0.000 0.228 234 L C 0.663 177.523 176.870 -0.016 0.000 1.133 234 L CA -0.058 54.790 54.840 0.013 0.000 0.880 234 L CB -0.190 41.915 42.059 0.076 0.000 1.033 234 L HN -0.057 nan 8.230 nan 0.000 0.450 235 S N 0.077 115.678 115.700 -0.166 0.000 2.564 235 S HA 0.412 4.882 4.470 -0.000 0.000 0.278 235 S C 0.598 175.321 174.600 0.205 0.000 1.333 235 S CA -0.251 57.874 58.200 -0.125 0.000 1.048 235 S CB 1.533 64.443 63.200 -0.484 0.000 0.900 235 S HN 0.334 nan 8.310 nan 0.000 0.505 236 G N 0.508 109.359 108.800 0.085 0.000 2.828 236 G HA2 0.589 4.549 3.960 -0.000 0.000 0.244 236 G HA3 0.589 4.549 3.960 -0.000 0.000 0.244 236 G C -1.246 173.786 174.900 0.221 0.000 1.365 236 G CA -0.995 43.998 45.100 -0.178 0.000 1.041 236 G HN 0.865 nan 8.290 nan 0.000 0.560 237 W N -0.459 121.032 121.300 0.318 0.000 1.759 237 W HA 0.699 5.359 4.660 -0.000 0.000 0.291 237 W C -0.270 176.354 176.519 0.175 0.000 0.855 237 W CA -1.200 56.289 57.345 0.240 0.000 2.167 237 W CB 0.474 30.041 29.460 0.177 0.000 2.351 237 W HN 0.315 nan 8.180 nan 0.000 0.423 238 K N 1.277 121.798 120.400 0.202 0.000 2.578 238 K HA 0.505 4.825 4.320 -0.000 0.000 0.250 238 K C 0.908 177.573 176.600 0.108 0.000 0.955 238 K CA -0.337 56.028 56.287 0.130 0.000 0.825 238 K CB 1.233 33.788 32.500 0.092 0.000 1.151 238 K HN 0.556 nan 8.250 nan 0.000 0.432 239 G N 3.085 111.944 108.800 0.097 0.000 2.249 239 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.273 239 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.273 239 G C -0.510 174.439 174.900 0.082 0.000 1.036 239 G CA 0.300 45.444 45.100 0.074 0.000 0.824 239 G HN 0.638 nan 8.290 nan 0.000 0.504 240 N N 0.134 118.911 118.700 0.128 0.000 2.444 240 N HA 0.419 5.159 4.740 -0.000 0.000 0.262 240 N C -0.816 174.771 175.510 0.129 0.000 0.974 240 N CA -1.989 51.147 53.050 0.143 0.000 0.933 240 N CB 1.847 40.487 38.487 0.254 0.000 1.137 240 N HN -0.070 nan 8.380 nan 0.000 0.498 241 P HA -0.199 nan 4.420 nan 0.000 0.216 241 P C 0.803 178.154 177.300 0.085 0.000 1.154 241 P CA 1.661 64.802 63.100 0.069 0.000 0.865 241 P CB 0.209 31.934 31.700 0.042 0.000 0.789 242 Q N -1.246 118.623 119.800 0.116 0.000 2.444 242 Q HA 0.066 4.405 4.340 -0.000 0.000 0.206 242 Q C 0.824 176.911 176.000 0.145 0.000 0.948 242 Q CA 0.609 56.490 55.803 0.130 0.000 0.946 242 Q CB -0.233 28.601 28.738 0.159 0.000 1.027 242 Q HN 0.305 nan 8.270 nan 0.000 0.513 243 L N 0.671 121.989 121.223 0.159 0.000 3.320 243 L HA 0.180 4.520 4.340 -0.000 0.000 0.331 243 L C 0.982 177.924 176.870 0.119 0.000 1.306 243 L CA -0.252 54.664 54.840 0.125 0.000 0.892 243 L CB 0.782 42.945 42.059 0.174 0.000 1.337 243 L HN 0.124 nan 8.230 nan 0.000 0.604 244 S N 0.961 116.717 115.700 0.092 0.000 2.513 244 S HA -0.319 4.151 4.470 -0.000 0.000 0.311 244 S C 1.229 175.871 174.600 0.070 0.000 1.227 244 S CA 2.710 60.954 58.200 0.073 0.000 1.234 244 S CB -0.017 63.212 63.200 0.049 0.000 1.244 244 S HN 0.589 nan 8.310 nan 0.000 0.445 245 D N 1.188 121.622 120.400 0.056 0.000 2.328 245 D HA 0.400 5.039 4.640 -0.000 0.000 0.221 245 D C 1.068 177.408 176.300 0.067 0.000 1.072 245 D CA 0.936 54.965 54.000 0.048 0.000 0.850 245 D CB 0.296 41.113 40.800 0.030 0.000 0.922 245 D HN 0.651 nan 8.370 nan 0.000 0.516 246 G N 0.746 109.611 108.800 0.107 0.000 2.500 246 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.209 246 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.209 246 G C -1.355 173.555 174.900 0.016 0.000 1.283 246 G CA -0.567 44.637 45.100 0.173 0.000 0.960 246 G HN 0.217 nan 8.290 nan 0.000 0.528 247 L N -0.311 120.875 121.223 -0.062 0.000 2.346 247 L HA 0.832 5.172 4.340 -0.000 0.000 0.276 247 L C 0.202 177.030 176.870 -0.070 0.000 1.006 247 L CA -0.909 53.708 54.840 -0.372 0.000 0.817 247 L CB 1.977 43.332 42.059 -1.173 0.000 1.272 247 L HN 1.446 nan 8.230 nan 0.000 0.421 248 V N 5.730 125.576 119.914 -0.112 0.000 2.364 248 V HA 0.357 4.477 4.120 -0.000 0.000 0.272 248 V C -0.987 175.115 176.094 0.015 0.000 1.036 248 V CA -0.172 62.179 62.300 0.084 0.000 0.880 248 V CB 0.658 32.515 31.823 0.057 0.000 0.991 248 V HN 0.687 nan 8.190 nan 0.000 0.460 249 Y N 4.777 125.205 120.300 0.213 0.000 2.632 249 Y HA 0.314 4.864 4.550 -0.000 0.000 0.336 249 Y C 0.936 176.908 175.900 0.120 0.000 1.237 249 Y CA -0.404 57.787 58.100 0.151 0.000 1.595 249 Y CB -0.164 38.421 38.460 0.209 0.000 1.508 249 Y HN 0.780 nan 8.280 nan 0.000 0.480 250 E N 1.820 122.089 120.200 0.115 0.000 2.765 250 E HA 0.086 4.436 4.350 -0.000 0.000 0.256 250 E C 1.284 177.949 176.600 0.109 0.000 0.935 250 E CA 1.218 57.674 56.400 0.093 0.000 0.954 250 E CB -0.010 29.704 29.700 0.022 0.000 0.908 250 E HN 0.951 nan 8.360 nan 0.000 0.500 251 G N 3.466 112.332 108.800 0.110 0.000 2.176 251 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.253 251 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.253 251 G C 0.285 175.245 174.900 0.100 0.000 0.979 251 G CA 0.292 45.445 45.100 0.089 0.000 0.641 251 G HN 0.615 nan 8.290 nan 0.000 0.530 252 F N -0.940 118.964 119.950 -0.076 0.000 2.581 252 F HA 0.576 5.103 4.527 -0.000 0.000 0.278 252 F C 0.250 175.874 175.800 -0.293 0.000 1.000 252 F CA -0.102 57.726 58.000 -0.287 0.000 1.230 252 F CB 0.521 39.192 39.000 -0.549 0.000 1.008 252 F HN 0.108 nan 8.300 nan 0.000 0.695 253 W N 1.878 123.344 121.300 0.277 0.000 2.761 253 W HA 0.310 4.970 4.660 -0.000 0.000 0.340 253 W C 0.770 177.356 176.519 0.112 0.000 1.072 253 W CA -0.965 56.481 57.345 0.168 0.000 1.215 253 W CB 1.354 30.957 29.460 0.238 0.000 1.420 253 W HN -0.018 nan 8.180 nan 0.000 0.519 254 E N 0.966 121.363 120.200 0.328 0.000 2.005 254 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 254 E C 0.226 176.925 176.600 0.166 0.000 1.010 254 E CA 1.582 58.091 56.400 0.181 0.000 0.825 254 E CB -0.236 29.535 29.700 0.119 0.000 0.769 254 E HN 0.155 nan 8.360 nan 0.000 0.456 255 D N 0.447 120.933 120.400 0.143 0.000 2.440 255 D HA 0.247 4.887 4.640 -0.000 0.000 0.258 255 D C -2.270 174.113 176.300 0.137 0.000 1.092 255 D CA -1.789 52.272 54.000 0.103 0.000 1.016 255 D CB 0.337 41.163 40.800 0.043 0.000 1.141 255 D HN -0.018 nan 8.370 nan 0.000 0.552 256 P HA 0.083 nan 4.420 nan 0.000 0.271 256 P C -0.545 176.807 177.300 0.086 0.000 1.216 256 P CA -0.230 62.948 63.100 0.130 0.000 0.776 256 P CB 0.907 32.648 31.700 0.068 0.000 0.881 257 K N 2.414 122.919 120.400 0.174 0.000 2.207 257 K HA 0.392 4.712 4.320 -0.000 0.000 0.255 257 K C 0.127 176.748 176.600 0.035 0.000 0.941 257 K CA -0.665 55.589 56.287 -0.056 0.000 0.825 257 K CB 2.041 34.408 32.500 -0.222 0.000 1.119 257 K HN 0.470 nan 8.250 nan 0.000 0.430 258 E N 1.733 121.780 120.200 -0.255 0.000 2.216 258 E HA 0.478 4.828 4.350 -0.000 0.000 0.279 258 E C -0.947 175.382 176.600 -0.452 0.000 0.997 258 E CA -0.466 55.888 56.400 -0.077 0.000 0.817 258 E CB 0.889 30.564 29.700 -0.043 0.000 1.096 258 E HN 0.232 nan 8.360 nan 0.000 0.393 259 F N 0.453 120.492 119.950 0.147 0.000 2.619 259 F HA 0.421 4.948 4.527 -0.000 0.000 0.308 259 F C -0.072 175.669 175.800 -0.098 0.000 1.097 259 F CA -0.922 57.111 58.000 0.055 0.000 0.953 259 F CB 1.441 40.473 39.000 0.054 0.000 1.287 259 F HN 0.442 nan 8.300 nan 0.000 0.446 260 A N 1.290 124.268 122.820 0.264 0.000 2.340 260 A HA 0.657 4.977 4.320 -0.000 0.000 0.268 260 A C 0.611 178.098 177.584 -0.162 0.000 1.100 260 A CA 0.165 52.179 52.037 -0.038 0.000 0.803 260 A CB 0.062 18.970 19.000 -0.154 0.000 1.043 260 A HN 1.013 nan 8.150 nan 0.000 0.488 261 G N 0.313 109.026 108.800 -0.145 0.000 2.647 261 G HA2 0.446 4.406 3.960 -0.000 0.000 0.271 261 G HA3 0.446 4.406 3.960 -0.000 0.000 0.271 261 G C 0.547 175.415 174.900 -0.053 0.000 1.300 261 G CA 0.051 45.090 45.100 -0.102 0.000 0.997 261 G HN 1.236 nan 8.290 nan 0.000 0.533 262 G N -1.345 107.495 108.800 0.067 0.000 2.395 262 G HA2 0.465 4.425 3.960 -0.000 0.000 0.283 262 G HA3 0.465 4.425 3.960 -0.000 0.000 0.283 262 G C -0.305 174.720 174.900 0.209 0.000 1.178 262 G CA 0.570 45.768 45.100 0.162 0.000 0.837 262 G HN 1.051 nan 8.290 nan 0.000 0.518 263 S N 0.210 116.039 115.700 0.215 0.000 2.542 263 S HA 0.496 4.966 4.470 -0.000 0.000 0.276 263 S C 0.932 175.596 174.600 0.106 0.000 1.148 263 S CA 0.330 58.668 58.200 0.229 0.000 0.886 263 S CB 1.267 64.562 63.200 0.158 0.000 1.109 263 S HN 1.462 nan 8.310 nan 0.000 0.458 264 A N 3.002 125.893 122.820 0.119 0.000 2.186 264 A HA 0.116 4.436 4.320 -0.000 0.000 0.219 264 A C 1.944 179.248 177.584 -0.466 0.000 1.159 264 A CA 1.863 53.702 52.037 -0.330 0.000 0.680 264 A CB -1.213 17.731 19.000 -0.093 0.000 0.787 264 A HN 1.364 nan 8.150 nan 0.000 0.467 265 G N -1.057 107.643 108.800 -0.167 0.000 2.586 265 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 265 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 265 G C 1.277 176.030 174.900 -0.245 0.000 1.128 265 G CA 0.716 45.746 45.100 -0.116 0.000 0.774 265 G HN 0.704 nan 8.290 nan 0.000 0.543 266 Q N 0.024 119.620 119.800 -0.341 0.000 2.360 266 Q HA 0.175 4.515 4.340 -0.000 0.000 0.202 266 Q C 1.016 176.821 176.000 -0.325 0.000 0.915 266 Q CA -0.276 55.369 55.803 -0.263 0.000 0.943 266 Q CB 0.560 29.236 28.738 -0.103 0.000 1.064 266 Q HN 0.302 nan 8.270 nan 0.000 0.511 267 S N -0.118 115.241 115.700 -0.568 0.000 2.510 267 S HA 0.070 4.540 4.470 -0.000 0.000 0.279 267 S C 0.922 175.387 174.600 -0.226 0.000 1.284 267 S CA -0.394 57.558 58.200 -0.413 0.000 1.059 267 S CB 0.900 63.852 63.200 -0.414 0.000 0.901 267 S HN 0.210 nan 8.310 nan 0.000 0.491 268 S N 4.040 119.509 115.700 -0.385 0.000 2.453 268 S HA -0.070 4.399 4.470 -0.000 0.000 0.231 268 S C 1.914 176.355 174.600 -0.266 0.000 1.005 268 S CA 0.634 58.507 58.200 -0.545 0.000 0.949 268 S CB -0.225 62.121 63.200 -1.424 0.000 0.774 268 S HN 0.629 nan 8.310 nan 0.000 0.510 269 V N 1.540 121.449 119.914 -0.009 0.000 2.219 269 V HA -0.236 3.884 4.120 -0.000 0.000 0.248 269 V C 1.974 178.253 176.094 0.307 0.000 1.053 269 V CA 2.044 64.543 62.300 0.331 0.000 1.009 269 V CB -0.771 31.348 31.823 0.494 0.000 0.636 269 V HN 0.425 nan 8.190 nan 0.000 0.445 270 F N 0.024 120.046 119.950 0.119 0.000 2.146 270 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 270 F C 2.648 178.501 175.800 0.089 0.000 1.096 270 F CA 1.356 59.445 58.000 0.149 0.000 1.275 270 F CB -0.980 38.059 39.000 0.066 0.000 1.008 270 F HN 0.182 nan 8.300 nan 0.000 0.480 271 Q N -0.600 119.319 119.800 0.199 0.000 2.124 271 Q HA -0.239 4.101 4.340 -0.000 0.000 0.202 271 Q C 2.578 178.602 176.000 0.040 0.000 0.977 271 Q CA 1.857 57.711 55.803 0.086 0.000 0.850 271 Q CB -0.899 27.847 28.738 0.014 0.000 0.901 271 Q HN 0.640 nan 8.270 nan 0.000 0.429 272 C N 0.045 119.343 119.300 -0.004 0.000 2.432 272 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 272 C C 2.409 177.301 174.990 -0.164 0.000 1.249 272 C CA 0.447 59.413 59.018 -0.086 0.000 1.725 272 C CB -1.255 26.470 27.740 -0.024 0.000 2.028 272 C HN 0.379 nan 8.230 nan 0.000 0.477 273 F N 1.729 121.714 119.950 0.059 0.000 2.234 273 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 273 F C 2.346 178.144 175.800 -0.004 0.000 1.087 273 F CA 1.955 59.953 58.000 -0.003 0.000 1.340 273 F CB -0.758 38.191 39.000 -0.084 0.000 1.031 273 F HN 0.255 nan 8.300 nan 0.000 0.500 274 D N -0.024 120.473 120.400 0.163 0.000 2.117 274 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 274 D C 2.568 178.921 176.300 0.088 0.000 0.987 274 D CA 1.099 55.165 54.000 0.110 0.000 0.829 274 D CB -0.464 40.394 40.800 0.096 0.000 0.961 274 D HN 0.080 nan 8.370 nan 0.000 0.460 275 V N 1.985 121.935 119.914 0.059 0.000 2.223 275 V HA -0.206 3.914 4.120 -0.000 0.000 0.244 275 V C 2.577 178.716 176.094 0.074 0.000 1.045 275 V CA 1.094 63.417 62.300 0.039 0.000 1.000 275 V CB -0.603 31.209 31.823 -0.018 0.000 0.635 275 V HN 0.248 nan 8.190 nan 0.000 0.445 276 L N 0.146 121.414 121.223 0.075 0.000 2.034 276 L HA -0.238 4.102 4.340 -0.000 0.000 0.217 276 L C 2.061 179.022 176.870 0.152 0.000 1.077 276 L CA 2.347 57.262 54.840 0.125 0.000 0.769 276 L CB -0.748 41.374 42.059 0.105 0.000 0.890 276 L HN 0.348 nan 8.230 nan 0.000 0.435 277 L N -0.221 121.095 121.223 0.155 0.000 2.627 277 L HA 0.133 4.473 4.340 -0.000 0.000 0.233 277 L C 1.380 178.400 176.870 0.249 0.000 1.144 277 L CA 0.480 55.444 54.840 0.207 0.000 0.892 277 L CB -0.632 41.458 42.059 0.051 0.000 1.039 277 L HN 0.592 nan 8.230 nan 0.000 0.442 278 G N 1.162 110.064 108.800 0.169 0.000 2.198 278 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 278 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 278 G C 0.156 175.129 174.900 0.121 0.000 1.025 278 G CA -0.132 45.051 45.100 0.139 0.000 0.769 278 G HN 0.351 nan 8.290 nan 0.000 0.507 279 I N 0.627 121.260 120.570 0.105 0.000 2.325 279 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 279 I C 0.710 176.865 176.117 0.064 0.000 1.019 279 I CA -0.479 60.870 61.300 0.081 0.000 1.302 279 I CB 1.230 39.271 38.000 0.069 0.000 1.401 279 I HN 0.059 nan 8.210 nan 0.000 0.485 280 Q N 6.605 126.438 119.800 0.055 0.000 3.247 280 Q HA 0.087 4.427 4.340 -0.000 0.000 0.326 280 Q C 0.710 176.735 176.000 0.042 0.000 1.402 280 Q CA -0.204 55.626 55.803 0.046 0.000 0.994 280 Q CB 0.492 29.255 28.738 0.042 0.000 1.647 280 Q HN 0.625 nan 8.270 nan 0.000 0.523 281 Q N 0.024 119.850 119.800 0.044 0.000 2.124 281 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 281 Q C 1.339 177.368 176.000 0.049 0.000 0.977 281 Q CA 1.485 57.313 55.803 0.043 0.000 0.850 281 Q CB -0.130 28.637 28.738 0.048 0.000 0.901 281 Q HN 0.404 nan 8.270 nan 0.000 0.429 282 T N 1.074 115.654 114.554 0.042 0.000 3.055 282 T HA 0.130 4.480 4.350 -0.000 0.000 0.265 282 T C 0.735 175.458 174.700 0.038 0.000 1.111 282 T CA 0.484 62.607 62.100 0.038 0.000 1.118 282 T CB -0.050 68.832 68.868 0.024 0.000 0.909 282 T HN 0.312 nan 8.240 nan 0.000 0.501 283 A N 0.550 123.393 122.820 0.038 0.000 2.332 283 A HA 0.641 4.960 4.320 -0.000 0.000 0.258 283 A C 1.000 178.609 177.584 0.042 0.000 1.087 283 A CA 0.259 52.318 52.037 0.036 0.000 0.802 283 A CB -0.408 18.611 19.000 0.033 0.000 1.042 283 A HN 0.762 nan 8.150 nan 0.000 0.489 284 G N -0.785 108.039 108.800 0.039 0.000 2.710 284 G HA2 0.319 4.279 3.960 -0.000 0.000 0.668 284 G HA3 0.319 4.279 3.960 -0.000 0.000 0.668 284 G C 0.556 175.485 174.900 0.049 0.000 1.320 284 G CA 0.003 45.130 45.100 0.044 0.000 0.860 284 G HN 1.865 nan 8.290 nan 0.000 0.538 285 G N -0.222 108.610 108.800 0.054 0.000 3.159 285 G HA2 0.628 4.588 3.960 -0.000 0.000 0.232 285 G HA3 0.628 4.588 3.960 -0.000 0.000 0.232 285 G C 1.077 176.024 174.900 0.079 0.000 1.116 285 G CA 1.121 46.255 45.100 0.058 0.000 0.767 285 G HN 1.718 nan 8.290 nan 0.000 0.547 286 G N -0.568 108.286 108.800 0.090 0.000 2.647 286 G HA2 0.081 4.041 3.960 -0.000 0.000 0.234 286 G HA3 0.081 4.041 3.960 -0.000 0.000 0.234 286 G C 0.898 175.900 174.900 0.171 0.000 1.252 286 G CA 0.076 45.253 45.100 0.128 0.000 0.846 286 G HN 0.269 nan 8.290 nan 0.000 0.589 287 H N 1.555 120.696 119.070 0.118 0.000 2.352 287 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 287 H C 2.493 177.971 175.328 0.250 0.000 1.097 287 H CA 1.987 58.123 56.048 0.147 0.000 1.311 287 H CB -0.152 29.680 29.762 0.117 0.000 1.377 287 H HN 0.476 nan 8.280 nan 0.000 0.504 288 A N 1.449 124.454 122.820 0.309 0.000 1.858 288 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 288 A C 2.815 180.587 177.584 0.314 0.000 1.190 288 A CA 2.154 54.455 52.037 0.440 0.000 0.617 288 A CB -1.312 17.842 19.000 0.257 0.000 0.827 288 A HN 0.598 nan 8.150 nan 0.000 0.443 289 A N -0.790 122.137 122.820 0.178 0.000 1.883 289 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 289 A C 2.143 179.786 177.584 0.098 0.000 1.186 289 A CA 1.877 53.987 52.037 0.121 0.000 0.624 289 A CB -0.717 18.335 19.000 0.086 0.000 0.822 289 A HN 0.677 nan 8.150 nan 0.000 0.444 290 Q N -1.967 117.883 119.800 0.084 0.000 2.096 290 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 290 Q C 1.964 177.996 176.000 0.054 0.000 0.982 290 Q CA 1.682 57.518 55.803 0.055 0.000 0.850 290 Q CB -0.342 28.424 28.738 0.047 0.000 0.901 290 Q HN 0.738 nan 8.270 nan 0.000 0.422 291 F N 1.253 121.143 119.950 -0.100 0.000 2.095 291 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 291 F C 1.784 177.577 175.800 -0.013 0.000 1.104 291 F CA 1.357 59.282 58.000 -0.124 0.000 1.232 291 F CB -0.272 38.555 39.000 -0.289 0.000 0.987 291 F HN -0.033 nan 8.300 nan 0.000 0.475 292 L N -0.229 120.942 121.223 -0.087 0.000 2.141 292 L HA -0.195 4.144 4.340 -0.000 0.000 0.209 292 L C 2.456 179.245 176.870 -0.135 0.000 1.094 292 L CA 1.440 56.186 54.840 -0.157 0.000 0.763 292 L CB -0.726 41.362 42.059 0.047 0.000 0.908 292 L HN 0.242 nan 8.230 nan 0.000 0.437 293 Q N 0.439 120.202 119.800 -0.062 0.000 2.079 293 Q HA -0.232 4.108 4.340 -0.000 0.000 0.200 293 Q C 1.714 177.686 176.000 -0.047 0.000 0.974 293 Q CA 1.915 57.697 55.803 -0.035 0.000 0.840 293 Q CB -0.121 28.616 28.738 -0.002 0.000 0.898 293 Q HN 0.353 nan 8.270 nan 0.000 0.430 294 D N -1.159 119.203 120.400 -0.063 0.000 2.117 294 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 294 D C 1.534 177.856 176.300 0.037 0.000 0.987 294 D CA 1.250 55.244 54.000 -0.010 0.000 0.829 294 D CB 0.045 40.856 40.800 0.018 0.000 0.961 294 D HN 0.236 nan 8.370 nan 0.000 0.460 295 M N 0.147 119.651 119.600 -0.160 0.000 2.346 295 M HA -0.081 4.398 4.480 -0.000 0.000 0.263 295 M C 1.909 178.254 176.300 0.074 0.000 1.064 295 M CA 1.049 56.287 55.300 -0.103 0.000 1.083 295 M CB -0.743 31.579 32.600 -0.462 0.000 1.399 295 M HN 0.127 nan 8.290 nan 0.000 0.435 296 R N -0.532 119.974 120.500 0.009 0.000 2.189 296 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 296 R C 2.108 178.433 176.300 0.041 0.000 1.092 296 R CA 0.645 56.758 56.100 0.020 0.000 0.989 296 R CB -0.221 30.078 30.300 -0.002 0.000 0.876 296 R HN 0.426 nan 8.270 nan 0.000 0.457 297 R N -0.396 120.125 120.500 0.035 0.000 2.189 297 R HA -0.096 4.244 4.340 -0.000 0.000 0.223 297 R C 0.753 176.943 176.300 -0.183 0.000 1.092 297 R CA 1.036 57.080 56.100 -0.094 0.000 0.989 297 R CB 0.082 30.272 30.300 -0.183 0.000 0.876 297 R HN 0.297 nan 8.270 nan 0.000 0.457 298 Y N -0.503 119.788 120.300 -0.014 0.000 2.468 298 Y HA 0.224 4.774 4.550 -0.000 0.000 0.268 298 Y C 0.628 176.540 175.900 0.021 0.000 1.177 298 Y CA -0.062 58.038 58.100 -0.001 0.000 1.265 298 Y CB 0.163 38.621 38.460 -0.004 0.000 1.103 298 Y HN -0.113 nan 8.280 nan 0.000 0.522 299 M N 0.632 120.314 119.600 0.137 0.000 2.478 299 M HA 0.364 4.844 4.480 -0.000 0.000 0.327 299 M C -2.485 173.871 176.300 0.093 0.000 1.187 299 M CA -1.992 53.386 55.300 0.128 0.000 1.022 299 M CB 1.015 33.675 32.600 0.100 0.000 1.629 299 M HN -0.240 nan 8.290 nan 0.000 0.461 300 P HA -0.025 nan 4.420 nan 0.000 0.264 300 P C -1.894 175.410 177.300 0.007 0.000 1.183 300 P CA -0.648 62.449 63.100 -0.005 0.000 0.763 300 P CB -0.063 31.530 31.700 -0.178 0.000 0.807 301 P HA -0.329 nan 4.420 nan 0.000 0.216 301 P C 1.092 178.412 177.300 0.033 0.000 1.157 301 P CA 2.224 65.335 63.100 0.018 0.000 0.880 301 P CB -0.294 31.405 31.700 -0.001 0.000 0.791 302 A N -0.115 122.682 122.820 -0.038 0.000 1.917 302 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 302 A C 2.187 179.950 177.584 0.298 0.000 1.182 302 A CA 1.917 53.936 52.037 -0.031 0.000 0.633 302 A CB -2.028 16.764 19.000 -0.347 0.000 0.819 302 A HN 0.350 nan 8.150 nan 0.000 0.448 303 H N -0.551 118.649 119.070 0.217 0.000 2.357 303 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 303 H C 2.430 177.892 175.328 0.224 0.000 1.082 303 H CA 1.205 57.415 56.048 0.270 0.000 1.342 303 H CB -0.034 29.809 29.762 0.135 0.000 1.389 303 H HN 0.670 nan 8.280 nan 0.000 0.511 304 R N 0.944 121.598 120.500 0.258 0.000 2.148 304 R HA -0.062 4.277 4.340 -0.000 0.000 0.227 304 R C 1.424 177.826 176.300 0.170 0.000 1.103 304 R CA 1.379 57.574 56.100 0.158 0.000 0.983 304 R CB -0.155 30.198 30.300 0.088 0.000 0.874 304 R HN 0.232 nan 8.270 nan 0.000 0.451 305 N N 0.682 119.521 118.700 0.232 0.000 2.188 305 N HA -0.145 4.595 4.740 -0.000 0.000 0.184 305 N C 1.363 177.083 175.510 0.350 0.000 1.018 305 N CA 1.068 54.275 53.050 0.262 0.000 0.858 305 N CB -0.356 38.287 38.487 0.259 0.000 0.989 305 N HN 0.210 nan 8.380 nan 0.000 0.426 306 F N 1.903 121.993 119.950 0.233 0.000 2.102 306 F HA -0.023 4.504 4.527 -0.000 0.000 0.298 306 F C 2.073 177.798 175.800 -0.125 0.000 1.105 306 F CA 1.004 58.884 58.000 -0.201 0.000 1.239 306 F CB -0.428 38.512 39.000 -0.101 0.000 0.991 306 F HN -0.080 nan 8.300 nan 0.000 0.474 307 L N -0.540 120.673 121.223 -0.018 0.000 2.042 307 L HA -0.302 4.038 4.340 -0.000 0.000 0.210 307 L C 2.852 179.615 176.870 -0.178 0.000 1.076 307 L CA 1.662 56.420 54.840 -0.137 0.000 0.749 307 L CB -1.021 41.034 42.059 -0.007 0.000 0.893 307 L HN 0.466 nan 8.230 nan 0.000 0.432 308 C N -0.684 118.563 119.300 -0.087 0.000 2.450 308 C HA -0.093 4.366 4.460 -0.000 0.000 0.279 308 C C 3.360 178.279 174.990 -0.119 0.000 1.335 308 C CA 0.852 59.826 59.018 -0.074 0.000 1.749 308 C CB -0.629 27.104 27.740 -0.012 0.000 1.963 308 C HN 0.670 nan 8.230 nan 0.000 0.501 309 S N 0.448 116.059 115.700 -0.148 0.000 2.399 309 S HA -0.100 4.370 4.470 -0.000 0.000 0.231 309 S C 1.878 176.298 174.600 -0.300 0.000 1.022 309 S CA 1.688 59.789 58.200 -0.164 0.000 0.983 309 S CB -0.709 62.429 63.200 -0.102 0.000 0.803 309 S HN 0.727 nan 8.310 nan 0.000 0.480 310 L N 0.889 121.862 121.223 -0.418 0.000 2.056 310 L HA -0.026 4.314 4.340 -0.000 0.000 0.207 310 L C 2.868 179.598 176.870 -0.233 0.000 1.078 310 L CA 1.645 56.256 54.840 -0.381 0.000 0.749 310 L CB -0.589 41.234 42.059 -0.394 0.000 0.901 310 L HN 0.437 nan 8.230 nan 0.000 0.433 311 E N -0.283 119.815 120.200 -0.170 0.000 2.265 311 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 311 E C 2.023 178.565 176.600 -0.097 0.000 0.996 311 E CA 1.395 57.737 56.400 -0.098 0.000 0.832 311 E CB -0.007 29.652 29.700 -0.068 0.000 0.756 311 E HN 0.470 nan 8.360 nan 0.000 0.491 312 S N 0.150 115.770 115.700 -0.134 0.000 2.593 312 S HA 0.055 4.525 4.470 -0.000 0.000 0.217 312 S C 0.676 175.177 174.600 -0.165 0.000 0.966 312 S CA -0.410 57.720 58.200 -0.118 0.000 0.914 312 S CB 0.142 63.282 63.200 -0.100 0.000 0.776 312 S HN 0.014 nan 8.310 nan 0.000 0.523 313 N N 3.327 121.869 118.700 -0.264 0.000 2.463 313 N HA 0.408 5.148 4.740 -0.000 0.000 0.270 313 N C -2.666 172.745 175.510 -0.165 0.000 1.205 313 N CA -1.307 51.513 53.050 -0.382 0.000 0.974 313 N CB 0.504 38.377 38.487 -1.022 0.000 1.197 313 N HN 0.277 nan 8.380 nan 0.000 0.504 314 P HA 0.004 nan 4.420 nan 0.000 0.271 314 P C -0.352 177.050 177.300 0.171 0.000 1.218 314 P CA -0.155 62.985 63.100 0.067 0.000 0.780 314 P CB 0.527 32.291 31.700 0.108 0.000 0.901 315 S N 1.864 117.647 115.700 0.138 0.000 2.481 315 S HA 0.052 4.522 4.470 -0.000 0.000 0.282 315 S C 1.501 176.200 174.600 0.166 0.000 1.243 315 S CA -0.674 57.615 58.200 0.149 0.000 1.078 315 S CB -0.358 62.898 63.200 0.093 0.000 0.916 315 S HN 0.218 nan 8.310 nan 0.000 0.495 316 V N 6.825 126.831 119.914 0.153 0.000 2.407 316 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 316 V C 2.624 178.717 176.094 -0.002 0.000 1.055 316 V CA 2.308 64.638 62.300 0.050 0.000 1.049 316 V CB -0.841 30.993 31.823 0.019 0.000 0.662 316 V HN 0.889 nan 8.190 nan 0.000 0.455 317 R N 0.064 120.546 120.500 -0.030 0.000 2.070 317 R HA -0.168 4.172 4.340 -0.000 0.000 0.233 317 R C 2.362 178.575 176.300 -0.144 0.000 1.137 317 R CA 1.668 57.610 56.100 -0.263 0.000 0.945 317 R CB -0.208 30.027 30.300 -0.108 0.000 0.845 317 R HN 0.431 nan 8.270 nan 0.000 0.430 318 E N 0.107 120.299 120.200 -0.014 0.000 2.118 318 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 318 E C 1.661 178.286 176.600 0.041 0.000 0.992 318 E CA 0.970 57.373 56.400 0.006 0.000 0.804 318 E CB -0.414 29.303 29.700 0.028 0.000 0.741 318 E HN 0.323 nan 8.360 nan 0.000 0.458 319 F N 1.384 121.296 119.950 -0.064 0.000 2.051 319 F HA -0.202 4.325 4.527 -0.000 0.000 0.296 319 F C 2.293 178.046 175.800 -0.078 0.000 1.122 319 F CA 1.069 59.039 58.000 -0.049 0.000 1.201 319 F CB -0.551 38.437 39.000 -0.021 0.000 0.978 319 F HN -0.199 nan 8.300 nan 0.000 0.472 320 V N 0.773 120.860 119.914 0.289 0.000 2.392 320 V HA -0.312 3.807 4.120 -0.000 0.000 0.249 320 V C 2.573 178.665 176.094 -0.003 0.000 1.059 320 V CA 1.917 64.287 62.300 0.117 0.000 1.051 320 V CB -0.731 31.022 31.823 -0.118 0.000 0.658 320 V HN 0.397 nan 8.190 nan 0.000 0.455 321 L N 0.628 121.812 121.223 -0.066 0.000 2.093 321 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 321 L C 2.508 179.348 176.870 -0.051 0.000 1.085 321 L CA 1.793 56.593 54.840 -0.067 0.000 0.755 321 L CB -0.548 41.465 42.059 -0.077 0.000 0.904 321 L HN 0.565 nan 8.230 nan 0.000 0.435 322 S N -1.111 114.549 115.700 -0.067 0.000 2.603 322 S HA -0.027 4.443 4.470 -0.000 0.000 0.229 322 S C 0.710 175.244 174.600 -0.109 0.000 0.972 322 S CA 0.322 58.464 58.200 -0.097 0.000 0.935 322 S CB -0.153 62.960 63.200 -0.145 0.000 0.769 322 S HN 0.167 nan 8.310 nan 0.000 0.536 323 K N 2.002 122.356 120.400 -0.076 0.000 2.606 323 K HA 0.303 4.623 4.320 -0.000 0.000 0.196 323 K C 0.428 177.015 176.600 -0.022 0.000 1.048 323 K CA -0.172 56.080 56.287 -0.059 0.000 1.017 323 K CB 0.516 32.999 32.500 -0.028 0.000 1.413 323 K HN 0.254 nan 8.250 nan 0.000 0.568 324 G N 2.418 111.204 108.800 -0.023 0.000 2.258 324 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.264 324 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.264 324 G C -0.081 174.820 174.900 0.002 0.000 0.602 324 G CA 0.510 45.604 45.100 -0.010 0.000 1.813 324 G HN 0.422 nan 8.290 nan 0.000 0.546 325 D N 0.408 120.815 120.400 0.012 0.000 2.446 325 D HA 0.516 5.156 4.640 -0.000 0.000 0.251 325 D C 1.223 177.539 176.300 0.027 0.000 1.137 325 D CA -0.055 53.959 54.000 0.023 0.000 0.890 325 D CB 0.959 41.783 40.800 0.039 0.000 1.071 325 D HN 0.083 nan 8.370 nan 0.000 0.528 326 A N 3.434 126.266 122.820 0.021 0.000 1.892 326 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 326 A C 2.056 179.657 177.584 0.029 0.000 1.188 326 A CA 2.130 54.180 52.037 0.023 0.000 0.631 326 A CB -1.061 17.949 19.000 0.017 0.000 0.822 326 A HN 0.621 nan 8.150 nan 0.000 0.447 327 G N -0.129 108.686 108.800 0.025 0.000 2.599 327 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.219 327 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.219 327 G C 1.582 176.503 174.900 0.035 0.000 1.193 327 G CA 1.314 46.429 45.100 0.025 0.000 0.778 327 G HN 0.456 nan 8.290 nan 0.000 0.589 328 L N -0.342 120.908 121.223 0.045 0.000 1.994 328 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 328 L C 3.260 180.181 176.870 0.085 0.000 1.071 328 L CA 1.395 56.271 54.840 0.060 0.000 0.745 328 L CB -0.451 41.653 42.059 0.074 0.000 0.892 328 L HN 0.189 nan 8.230 nan 0.000 0.431 329 R N 0.051 120.594 120.500 0.071 0.000 2.094 329 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 329 R C 2.185 178.568 176.300 0.138 0.000 1.137 329 R CA 1.942 58.099 56.100 0.095 0.000 0.943 329 R CB -0.459 29.874 30.300 0.056 0.000 0.850 329 R HN 0.477 nan 8.270 nan 0.000 0.433 330 E N 0.187 120.435 120.200 0.080 0.000 2.058 330 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 330 E C 2.066 178.694 176.600 0.048 0.000 0.997 330 E CA 1.271 57.705 56.400 0.056 0.000 0.801 330 E CB -0.145 29.573 29.700 0.029 0.000 0.746 330 E HN 0.387 nan 8.360 nan 0.000 0.450 331 A N 0.568 123.417 122.820 0.049 0.000 1.940 331 A HA -0.230 4.089 4.320 -0.000 0.000 0.219 331 A C 2.037 179.640 177.584 0.031 0.000 1.176 331 A CA 1.541 53.591 52.037 0.022 0.000 0.631 331 A CB -0.767 18.243 19.000 0.017 0.000 0.814 331 A HN 0.462 nan 8.150 nan 0.000 0.446 332 Y N 0.941 121.221 120.300 -0.034 0.000 2.163 332 Y HA -0.196 4.354 4.550 -0.000 0.000 0.288 332 Y C 1.845 177.727 175.900 -0.031 0.000 1.136 332 Y CA 2.025 60.104 58.100 -0.034 0.000 1.147 332 Y CB -0.284 38.167 38.460 -0.016 0.000 0.987 332 Y HN 0.330 nan 8.280 nan 0.000 0.509 333 D N 0.344 120.752 120.400 0.013 0.000 2.149 333 D HA -0.194 4.445 4.640 -0.000 0.000 0.198 333 D C 2.319 178.530 176.300 -0.149 0.000 0.990 333 D CA 1.458 55.409 54.000 -0.081 0.000 0.839 333 D CB -0.631 40.191 40.800 0.037 0.000 0.948 333 D HN 0.500 nan 8.370 nan 0.000 0.460 334 A N 0.223 122.979 122.820 -0.107 0.000 1.903 334 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 334 A C 2.531 180.011 177.584 -0.174 0.000 1.191 334 A CA 1.863 53.831 52.037 -0.114 0.000 0.638 334 A CB -1.113 17.834 19.000 -0.089 0.000 0.823 334 A HN 0.409 nan 8.150 nan 0.000 0.451 335 C N -1.609 117.549 119.300 -0.236 0.000 2.446 335 C HA -0.022 4.438 4.460 -0.000 0.000 0.277 335 C C 2.741 177.556 174.990 -0.292 0.000 1.275 335 C CA 0.885 59.732 59.018 -0.286 0.000 1.727 335 C CB -1.295 26.261 27.740 -0.307 0.000 2.010 335 C HN 0.466 nan 8.230 nan 0.000 0.486 336 V N 1.108 120.813 119.914 -0.347 0.000 2.343 336 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 336 V C 2.701 178.700 176.094 -0.158 0.000 1.051 336 V CA 1.696 63.840 62.300 -0.260 0.000 1.036 336 V CB -0.638 31.014 31.823 -0.286 0.000 0.654 336 V HN 0.489 nan 8.190 nan 0.000 0.451 337 K N 0.211 120.526 120.400 -0.142 0.000 2.063 337 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 337 K C 2.240 178.784 176.600 -0.094 0.000 1.048 337 K CA 1.657 57.889 56.287 -0.091 0.000 0.928 337 K CB -0.453 32.001 32.500 -0.077 0.000 0.713 337 K HN 0.462 nan 8.250 nan 0.000 0.442 338 A N 1.235 123.975 122.820 -0.134 0.000 1.933 338 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 338 A C 2.273 179.782 177.584 -0.125 0.000 1.175 338 A CA 1.178 53.130 52.037 -0.143 0.000 0.628 338 A CB -0.462 18.415 19.000 -0.205 0.000 0.814 338 A HN 0.254 nan 8.150 nan 0.000 0.444 339 L N -0.275 120.869 121.223 -0.132 0.000 2.027 339 L HA -0.144 4.196 4.340 -0.000 0.000 0.206 339 L C 2.772 179.644 176.870 0.005 0.000 1.074 339 L CA 1.508 56.301 54.840 -0.078 0.000 0.745 339 L CB -0.669 41.346 42.059 -0.072 0.000 0.898 339 L HN 0.457 nan 8.230 nan 0.000 0.433 340 V N -3.093 116.815 119.914 -0.010 0.000 2.343 340 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 340 V C 2.426 178.542 176.094 0.036 0.000 1.051 340 V CA 2.203 64.513 62.300 0.017 0.000 1.036 340 V CB -0.445 31.379 31.823 0.001 0.000 0.654 340 V HN 0.344 nan 8.190 nan 0.000 0.451 341 S N 0.551 116.259 115.700 0.013 0.000 2.359 341 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 341 S C 1.839 176.482 174.600 0.071 0.000 1.035 341 S CA 2.245 60.460 58.200 0.026 0.000 1.018 341 S CB -0.585 62.605 63.200 -0.016 0.000 0.876 341 S HN 0.635 nan 8.310 nan 0.000 0.448 342 L N 0.776 122.047 121.223 0.081 0.000 2.017 342 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 342 L C 2.756 179.766 176.870 0.233 0.000 1.073 342 L CA 1.375 56.324 54.840 0.180 0.000 0.745 342 L CB -0.355 41.864 42.059 0.267 0.000 0.894 342 L HN 0.229 nan 8.230 nan 0.000 0.432 343 R N -0.933 119.688 120.500 0.201 0.000 2.075 343 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 343 R C 2.468 178.861 176.300 0.156 0.000 1.126 343 R CA 1.542 57.749 56.100 0.179 0.000 0.963 343 R CB -0.423 29.947 30.300 0.117 0.000 0.858 343 R HN 0.259 nan 8.270 nan 0.000 0.435 344 S N 0.334 116.102 115.700 0.113 0.000 2.359 344 S HA -0.209 4.261 4.470 -0.000 0.000 0.224 344 S C 1.640 176.291 174.600 0.084 0.000 1.035 344 S CA 1.353 59.603 58.200 0.084 0.000 1.018 344 S CB -0.409 62.834 63.200 0.071 0.000 0.876 344 S HN 0.362 nan 8.310 nan 0.000 0.448 345 Y N 1.785 122.065 120.300 -0.033 0.000 2.181 345 Y HA -0.208 4.342 4.550 -0.000 0.000 0.288 345 Y C 2.490 178.279 175.900 -0.185 0.000 1.146 345 Y CA 1.959 59.990 58.100 -0.115 0.000 1.164 345 Y CB -0.594 37.750 38.460 -0.193 0.000 0.982 345 Y HN 0.426 nan 8.280 nan 0.000 0.515 346 H N 0.000 118.952 119.070 -0.198 0.000 2.353 346 H HA -0.197 4.358 4.556 -0.000 0.000 0.298 346 H C 2.200 177.459 175.328 -0.115 0.000 1.103 346 H CA 2.095 58.036 56.048 -0.177 0.000 1.293 346 H CB -0.268 29.522 29.762 0.047 0.000 1.372 346 H HN 0.415 nan 8.280 nan 0.000 0.501 347 L N 0.507 121.717 121.223 -0.022 0.000 2.012 347 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 347 L C 2.938 179.733 176.870 -0.125 0.000 1.073 347 L CA 1.460 56.272 54.840 -0.046 0.000 0.748 347 L CB -0.414 41.652 42.059 0.012 0.000 0.891 347 L HN 0.367 nan 8.230 nan 0.000 0.431 348 Q N -0.466 119.229 119.800 -0.176 0.000 2.135 348 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 348 Q C 2.232 178.117 176.000 -0.192 0.000 0.981 348 Q CA 1.289 56.977 55.803 -0.192 0.000 0.856 348 Q CB -0.020 28.557 28.738 -0.269 0.000 0.902 348 Q HN 0.459 nan 8.270 nan 0.000 0.425 349 I N -0.015 120.372 120.570 -0.305 0.000 2.179 349 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 349 I C 2.289 178.364 176.117 -0.071 0.000 1.088 349 I CA 1.122 62.299 61.300 -0.205 0.000 1.357 349 I CB -1.003 36.775 38.000 -0.369 0.000 1.051 349 I HN 0.083 nan 8.210 nan 0.000 0.409 350 V N 0.639 120.446 119.914 -0.179 0.000 2.343 350 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 350 V C 2.570 178.653 176.094 -0.018 0.000 1.051 350 V CA 2.159 64.405 62.300 -0.089 0.000 1.036 350 V CB -1.145 30.620 31.823 -0.097 0.000 0.654 350 V HN 0.415 nan 8.190 nan 0.000 0.451 351 T N -0.102 114.424 114.554 -0.046 0.000 2.597 351 T HA -0.332 4.017 4.350 -0.000 0.000 0.267 351 T C 1.970 176.635 174.700 -0.058 0.000 1.053 351 T CA 2.367 64.438 62.100 -0.049 0.000 1.165 351 T CB -0.274 68.558 68.868 -0.060 0.000 0.863 351 T HN 0.531 nan 8.240 nan 0.000 0.427 352 K N -0.345 120.028 120.400 -0.045 0.000 2.057 352 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 352 K C 1.522 177.987 176.600 -0.225 0.000 1.050 352 K CA 1.368 57.583 56.287 -0.120 0.000 0.935 352 K CB -0.167 32.287 32.500 -0.078 0.000 0.715 352 K HN 0.404 nan 8.250 nan 0.000 0.439 353 Y N -0.333 119.908 120.300 -0.098 0.000 2.466 353 Y HA 0.236 4.786 4.550 -0.000 0.000 0.272 353 Y C 1.279 177.232 175.900 0.089 0.000 1.169 353 Y CA 0.045 58.109 58.100 -0.061 0.000 1.285 353 Y CB 0.504 38.783 38.460 -0.302 0.000 1.078 353 Y HN 0.052 nan 8.280 nan 0.000 0.523 354 I N -2.897 117.732 120.570 0.099 0.000 3.663 354 I HA -0.118 4.052 4.170 -0.000 0.000 0.263 354 I C 1.591 177.603 176.117 -0.176 0.000 1.104 354 I CA 0.092 61.437 61.300 0.074 0.000 1.426 354 I CB -0.029 38.095 38.000 0.207 0.000 1.771 354 I HN -0.123 nan 8.210 nan 0.000 0.402 355 L N 1.572 122.737 121.223 -0.097 0.000 1.971 355 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 355 L C 2.537 179.294 176.870 -0.188 0.000 1.072 355 L CA 1.975 56.741 54.840 -0.123 0.000 0.758 355 L CB -0.603 41.412 42.059 -0.073 0.000 0.889 355 L HN 0.281 nan 8.230 nan 0.000 0.433 356 I N -0.343 120.122 120.570 -0.175 0.000 2.099 356 I HA -0.218 3.952 4.170 -0.000 0.000 0.239 356 I C -0.184 175.777 176.117 -0.260 0.000 1.066 356 I CA 1.591 62.782 61.300 -0.182 0.000 1.324 356 I CB -1.507 36.401 38.000 -0.154 0.000 1.037 356 I HN 0.183 nan 8.210 nan 0.000 0.401 357 P HA -0.190 nan 4.420 nan 0.000 0.216 357 P C 1.298 178.152 177.300 -0.744 0.000 1.150 357 P CA 1.805 64.615 63.100 -0.484 0.000 0.843 357 P CB -0.024 31.378 31.700 -0.497 0.000 0.787 358 A N -0.390 121.881 122.820 -0.914 0.000 2.119 358 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 358 A C 2.012 179.436 177.584 -0.266 0.000 1.153 358 A CA 1.544 53.182 52.037 -0.665 0.000 0.692 358 A CB -1.212 17.519 19.000 -0.449 0.000 0.799 358 A HN 0.312 nan 8.150 nan 0.000 0.458 359 S N -0.643 114.922 115.700 -0.225 0.000 2.671 359 S HA 0.217 4.686 4.470 -0.000 0.000 0.220 359 S C 0.463 175.004 174.600 -0.100 0.000 0.951 359 S CA -0.032 58.091 58.200 -0.128 0.000 0.932 359 S CB -0.411 62.722 63.200 -0.111 0.000 0.777 359 S HN 0.755 nan 8.310 nan 0.000 0.508 381 G N 1.300 110.097 108.800 -0.005 0.000 3.332 381 G HA2 0.341 4.300 3.960 -0.000 0.000 0.242 381 G HA3 0.341 4.300 3.960 -0.000 0.000 0.242 381 G C 1.293 176.195 174.900 0.003 0.000 1.276 381 G CA 1.952 47.053 45.100 0.003 0.000 0.988 381 G HN 1.046 nan 8.290 nan 0.000 0.517 382 T N -3.564 110.987 114.554 -0.005 0.000 3.037 382 T HA 0.012 4.362 4.350 -0.000 0.000 0.251 382 T C 1.503 176.207 174.700 0.006 0.000 1.079 382 T CA 0.558 62.658 62.100 0.001 0.000 1.067 382 T CB 0.158 69.022 68.868 -0.006 0.000 0.948 382 T HN 0.057 nan 8.240 nan 0.000 0.496 383 D N 1.477 121.867 120.400 -0.016 0.000 2.221 383 D HA -0.045 4.595 4.640 -0.000 0.000 0.204 383 D C 1.880 178.200 176.300 0.032 0.000 0.982 383 D CA 0.528 54.507 54.000 -0.036 0.000 0.857 383 D CB -0.297 40.437 40.800 -0.111 0.000 0.934 383 D HN 0.293 nan 8.370 nan 0.000 0.475 384 L N 0.439 121.684 121.223 0.037 0.000 1.961 384 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 384 L C 2.076 179.043 176.870 0.161 0.000 1.072 384 L CA 1.657 56.550 54.840 0.089 0.000 0.749 384 L CB -0.680 41.415 42.059 0.059 0.000 0.889 384 L HN -0.094 nan 8.230 nan 0.000 0.432 385 M N -0.103 119.555 119.600 0.097 0.000 2.108 385 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 385 M C 2.061 178.414 176.300 0.089 0.000 1.066 385 M CA 1.465 56.816 55.300 0.085 0.000 1.107 385 M CB -1.632 30.994 32.600 0.042 0.000 1.356 385 M HN 0.421 nan 8.290 nan 0.000 0.406 386 N N -0.074 118.677 118.700 0.085 0.000 2.188 386 N HA -0.136 4.603 4.740 -0.000 0.000 0.184 386 N C 1.596 177.176 175.510 0.116 0.000 1.018 386 N CA 0.985 54.079 53.050 0.074 0.000 0.858 386 N CB -0.581 37.936 38.487 0.051 0.000 0.989 386 N HN 0.350 nan 8.380 nan 0.000 0.426 387 F N 2.124 122.104 119.950 0.051 0.000 2.051 387 F HA -0.087 4.440 4.527 -0.000 0.000 0.296 387 F C 2.123 177.978 175.800 0.093 0.000 1.122 387 F CA 1.186 59.246 58.000 0.100 0.000 1.201 387 F CB -0.645 38.413 39.000 0.098 0.000 0.978 387 F HN -0.107 nan 8.300 nan 0.000 0.472 388 L N 0.440 121.649 121.223 -0.024 0.000 2.013 388 L HA -0.289 4.050 4.340 -0.000 0.000 0.212 388 L C 2.550 179.343 176.870 -0.128 0.000 1.073 388 L CA 1.990 56.759 54.840 -0.118 0.000 0.753 388 L CB -0.853 41.301 42.059 0.158 0.000 0.890 388 L HN 0.163 nan 8.230 nan 0.000 0.432 389 K N -0.780 119.595 120.400 -0.041 0.000 2.147 389 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 389 K C 2.071 178.638 176.600 -0.055 0.000 1.049 389 K CA 1.710 57.981 56.287 -0.027 0.000 0.936 389 K CB -0.235 32.267 32.500 0.003 0.000 0.722 389 K HN 0.329 nan 8.250 nan 0.000 0.446 390 T N 0.939 115.441 114.554 -0.086 0.000 2.737 390 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 390 T C 2.022 176.655 174.700 -0.112 0.000 1.038 390 T CA 1.108 63.164 62.100 -0.073 0.000 1.144 390 T CB -0.162 68.680 68.868 -0.042 0.000 0.866 390 T HN -0.060 nan 8.240 nan 0.000 0.434 391 V N 1.837 121.609 119.914 -0.237 0.000 2.295 391 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 391 V C 2.628 178.668 176.094 -0.090 0.000 1.049 391 V CA 2.132 64.311 62.300 -0.201 0.000 1.024 391 V CB -0.627 30.985 31.823 -0.352 0.000 0.648 391 V HN 0.391 nan 8.190 nan 0.000 0.447 392 R N 0.490 120.943 120.500 -0.077 0.000 2.080 392 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 392 R C 2.546 178.839 176.300 -0.011 0.000 1.137 392 R CA 2.299 58.387 56.100 -0.020 0.000 0.943 392 R CB -0.921 29.377 30.300 -0.003 0.000 0.846 392 R HN 0.422 nan 8.270 nan 0.000 0.431 393 S N -0.851 114.839 115.700 -0.017 0.000 2.374 393 S HA -0.169 4.301 4.470 -0.000 0.000 0.227 393 S C 1.783 176.384 174.600 0.002 0.000 1.037 393 S CA 2.002 60.200 58.200 -0.004 0.000 1.024 393 S CB -0.600 62.597 63.200 -0.004 0.000 0.861 393 S HN 0.636 nan 8.310 nan 0.000 0.456 394 T N 1.290 115.842 114.554 -0.004 0.000 2.759 394 T HA -0.080 4.269 4.350 -0.000 0.000 0.269 394 T C 1.874 176.585 174.700 0.017 0.000 1.042 394 T CA 1.869 63.975 62.100 0.009 0.000 1.140 394 T CB -0.830 68.042 68.868 0.006 0.000 0.864 394 T HN 0.563 nan 8.240 nan 0.000 0.455 395 T N 1.543 116.104 114.554 0.012 0.000 2.737 395 T HA -0.118 4.232 4.350 -0.000 0.000 0.265 395 T C 1.966 176.672 174.700 0.010 0.000 1.038 395 T CA 1.596 63.705 62.100 0.014 0.000 1.144 395 T CB -0.302 68.573 68.868 0.012 0.000 0.866 395 T HN 0.575 nan 8.240 nan 0.000 0.434 396 E N 1.520 121.725 120.200 0.009 0.000 2.058 396 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 396 E C 2.030 178.643 176.600 0.021 0.000 0.997 396 E CA 1.400 57.806 56.400 0.010 0.000 0.801 396 E CB -0.179 29.527 29.700 0.009 0.000 0.746 396 E HN 0.356 nan 8.360 nan 0.000 0.450 397 K N -0.114 120.301 120.400 0.025 0.000 2.286 397 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 397 K C 2.059 178.689 176.600 0.050 0.000 1.045 397 K CA 1.236 57.542 56.287 0.033 0.000 0.935 397 K CB -0.062 32.456 32.500 0.030 0.000 0.737 397 K HN 0.065 nan 8.250 nan 0.000 0.460 398 S N 0.779 116.514 115.700 0.058 0.000 2.522 398 S HA 0.056 4.525 4.470 -0.000 0.000 0.227 398 S C 0.581 175.265 174.600 0.139 0.000 0.986 398 S CA 0.100 58.360 58.200 0.100 0.000 0.929 398 S CB -0.055 63.208 63.200 0.105 0.000 0.769 398 S HN 0.178 nan 8.310 nan 0.000 0.529 399 L N 1.653 122.928 121.223 0.087 0.000 2.514 399 L HA 0.044 4.384 4.340 -0.000 0.000 0.280 399 L C 1.290 178.234 176.870 0.124 0.000 1.223 399 L CA 0.010 54.908 54.840 0.096 0.000 0.864 399 L CB 0.311 42.397 42.059 0.044 0.000 1.118 399 L HN 0.233 nan 8.230 nan 0.000 0.494 400 L N 2.115 123.433 121.223 0.160 0.000 2.341 400 L HA 0.082 4.422 4.340 -0.000 0.000 0.214 400 L C 0.942 177.852 176.870 0.068 0.000 1.115 400 L CA 0.816 55.723 54.840 0.112 0.000 0.820 400 L CB -0.212 41.921 42.059 0.122 0.000 0.944 400 L HN 0.650 nan 8.230 nan 0.000 0.452 401 K N -0.072 120.366 120.400 0.063 0.000 2.308 401 K HA 0.156 4.475 4.320 -0.000 0.000 0.268 401 K C -0.841 175.776 176.600 0.029 0.000 0.992 401 K CA -0.322 55.989 56.287 0.040 0.000 0.836 401 K CB 1.213 33.736 32.500 0.037 0.000 1.507 401 K HN -0.053 nan 8.250 nan 0.000 0.394 402 E N -0.623 119.589 120.200 0.021 0.000 2.298 402 E HA -0.131 4.219 4.350 -0.000 0.000 0.235 402 E C -0.542 176.066 176.600 0.013 0.000 1.167 402 E CA 0.710 57.118 56.400 0.014 0.000 0.708 402 E CB -1.877 27.830 29.700 0.011 0.000 1.236 402 E HN 0.740 nan 8.360 nan 0.000 0.386 403 G N 0.000 108.808 108.800 0.013 0.000 5.446 403 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 403 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 403 G CA 0.000 45.107 45.100 0.012 0.000 0.502 403 G HN 0.000 nan 8.290 nan 0.000 0.925