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 3okw_1_A DATA FIRST_RESID 20 DATA SEQUENCE FPEDSEPISI SHGNYTKQYP VFVGHKPGRX XTQRHRLDIQ MIMIMNRTLY DATA SEQUENCE VAARDHIYTV DIDTSHTEEI YCSKKLTWKS RQADVDTcRM KGKHKDEcHN DATA SEQUENCE FIKVLLKKND DTLFVcGTNA FNPScRNYRV DTLETFGDEF SGMARCPYDA DATA SEQUENCE KHANIALFAD GKLYSATVTD FLAIDAVIYR SLGDSPTLRT VKHDSKWLKE DATA SEQUENCE PYFVQAVDYG DYIYFFFREI AVEYNXXGKV VFPRVAQVcK NDMGGSQRVL DATA SEQUENCE EKQWTSFLKA RLNcSVPGDS HFYFNILQAV TDVIRINGRD VVLATFSTPY DATA SEQUENCE NSIPGSAVcA YDMLDIANVF TGRFKEQKSP DSTWTPVPDE RVPKPRPGCc DATA SEQUENCE AGSSSLEKYA TSNEFPDDTL NFIKTHPLMD EAVPSIINRP WFLRTMVRYR DATA SEQUENCE LTKIAVDNAA GPYQNHTVVF LGSEKGIILK FLARIGSXXX LNGSLFLEEM DATA SEQUENCE NVYNPEKcSY DGVEDKRIMG MQLDRASGSL YVAFSTcVIK VPLGRcERHG DATA SEQUENCE KcKKTcIASR DPYcGWVRES GScAHLSPXX RLTFEQDIER GNTDGLGDc 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 20 F HA 0.000 nan 4.527 nan 0.000 0.279 20 F C 0.000 175.745 175.800 -0.092 0.000 0.967 20 F CA 0.000 57.936 58.000 -0.107 0.000 1.383 20 F CB 0.000 38.904 39.000 -0.160 0.000 1.145 21 P HA 0.095 nan 4.420 nan 0.000 0.262 21 P C -0.891 176.192 177.300 -0.362 0.000 1.182 21 P CA 0.128 62.890 63.100 -0.563 0.000 0.761 21 P CB 0.593 31.869 31.700 -0.707 0.000 0.795 22 E N 1.537 121.626 120.200 -0.185 0.000 2.343 22 E HA 0.037 4.387 4.350 -0.001 0.000 0.269 22 E C -0.545 175.986 176.600 -0.116 0.000 1.047 22 E CA -0.673 55.672 56.400 -0.092 0.000 0.874 22 E CB 0.513 30.180 29.700 -0.055 0.000 1.033 22 E HN 0.354 nan 8.360 nan 0.000 0.409 23 D N 2.120 122.481 120.400 -0.064 0.000 2.401 23 D HA 0.013 4.653 4.640 -0.001 0.000 0.254 23 D C -0.452 175.833 176.300 -0.026 0.000 1.192 23 D CA 0.234 54.190 54.000 -0.073 0.000 0.885 23 D CB 0.644 41.435 40.800 -0.015 0.000 1.147 23 D HN 0.333 nan 8.370 nan 0.000 0.478 24 S N 2.612 118.290 115.700 -0.038 0.000 2.579 24 S HA 0.167 4.637 4.470 -0.001 0.000 0.275 24 S C 0.280 175.018 174.600 0.230 0.000 1.345 24 S CA -0.784 57.461 58.200 0.075 0.000 1.031 24 S CB 1.386 64.637 63.200 0.086 0.000 0.892 24 S HN 0.245 nan 8.310 nan 0.000 0.529 25 E N 2.177 122.479 120.200 0.170 0.000 2.231 25 E HA 0.434 4.783 4.350 -0.001 0.000 0.277 25 E C -2.296 174.306 176.600 0.003 0.000 0.999 25 E CA -2.402 54.071 56.400 0.122 0.000 0.827 25 E CB 0.725 30.448 29.700 0.039 0.000 1.101 25 E HN 0.499 nan 8.360 nan 0.000 0.393 26 P HA 0.182 nan 4.420 nan 0.000 0.272 26 P C 0.840 177.955 177.300 -0.308 0.000 1.223 26 P CA -0.129 62.493 63.100 -0.796 0.000 0.784 26 P CB 0.994 31.980 31.700 -1.189 0.000 0.923 27 I N -0.242 120.200 120.570 -0.214 0.000 2.315 27 I HA -0.123 4.047 4.170 -0.001 0.000 0.248 27 I C 0.964 177.025 176.117 -0.093 0.000 1.117 27 I CA 1.471 62.707 61.300 -0.106 0.000 1.404 27 I CB -0.164 37.800 38.000 -0.060 0.000 1.071 27 I HN 0.308 nan 8.210 nan 0.000 0.419 28 S N 0.475 116.101 115.700 -0.124 0.000 2.570 28 S HA 0.646 5.116 4.470 -0.001 0.000 0.286 28 S C -0.492 174.024 174.600 -0.141 0.000 1.099 28 S CA -0.555 57.594 58.200 -0.085 0.000 0.913 28 S CB 2.773 65.965 63.200 -0.014 0.000 1.085 28 S HN -0.034 nan 8.310 nan 0.000 0.480 29 I N 1.875 122.365 120.570 -0.134 0.000 2.533 29 I HA 0.410 4.579 4.170 -0.001 0.000 0.290 29 I C -0.716 175.241 176.117 -0.268 0.000 1.056 29 I CA -0.543 60.636 61.300 -0.203 0.000 1.057 29 I CB 2.193 40.052 38.000 -0.236 0.000 1.240 29 I HN 0.496 nan 8.210 nan 0.000 0.423 30 S N 4.943 120.492 115.700 -0.252 0.000 2.498 30 S HA 0.516 4.985 4.470 -0.001 0.000 0.317 30 S C -0.361 174.115 174.600 -0.208 0.000 1.090 30 S CA -0.748 57.343 58.200 -0.181 0.000 1.089 30 S CB 1.023 64.215 63.200 -0.014 0.000 0.997 30 S HN 0.439 nan 8.310 nan 0.000 0.470 31 H N 1.237 120.336 119.070 0.047 0.000 2.500 31 H HA 0.298 4.854 4.556 -0.001 0.000 0.351 31 H C 1.656 177.016 175.328 0.053 0.000 1.281 31 H CA -0.335 55.745 56.048 0.053 0.000 1.368 31 H CB 0.569 30.355 29.762 0.039 0.000 1.616 31 H HN 0.740 nan 8.280 nan 0.000 0.591 32 G N 0.544 109.451 108.800 0.179 0.000 2.462 32 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.220 32 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.220 32 G C 1.174 176.098 174.900 0.041 0.000 1.121 32 G CA 0.882 46.032 45.100 0.083 0.000 0.758 32 G HN 0.551 nan 8.290 nan 0.000 0.559 33 N N -0.623 118.128 118.700 0.085 0.000 2.104 33 N HA -0.161 4.579 4.740 -0.001 0.000 0.190 33 N C 1.728 177.261 175.510 0.038 0.000 1.024 33 N CA 1.435 54.517 53.050 0.052 0.000 0.853 33 N CB -0.361 38.168 38.487 0.070 0.000 1.008 33 N HN 0.508 nan 8.380 nan 0.000 0.424 34 Y N 0.812 121.069 120.300 -0.071 0.000 2.262 34 Y HA -0.042 4.508 4.550 -0.001 0.000 0.295 34 Y C 2.540 178.228 175.900 -0.354 0.000 1.121 34 Y CA 1.443 59.459 58.100 -0.142 0.000 1.144 34 Y CB -0.640 37.772 38.460 -0.081 0.000 1.043 34 Y HN 0.170 nan 8.280 nan 0.000 0.528 35 T N -1.022 113.366 114.554 -0.276 0.000 2.962 35 T HA -0.215 4.134 4.350 -0.001 0.000 0.270 35 T C 1.735 176.027 174.700 -0.679 0.000 1.088 35 T CA 1.406 63.050 62.100 -0.759 0.000 1.127 35 T CB -0.575 68.159 68.868 -0.223 0.000 0.883 35 T HN 0.515 nan 8.240 nan 0.000 0.493 36 K N 1.787 121.979 120.400 -0.346 0.000 2.442 36 K HA -0.178 4.142 4.320 -0.001 0.000 0.198 36 K C 2.198 178.654 176.600 -0.240 0.000 1.044 36 K CA 1.363 57.512 56.287 -0.230 0.000 0.948 36 K CB -0.354 32.062 32.500 -0.141 0.000 0.762 36 K HN 0.715 nan 8.250 nan 0.000 0.472 37 Q N -0.294 119.290 119.800 -0.359 0.000 2.403 37 Q HA 0.014 4.354 4.340 -0.001 0.000 0.203 37 Q C -0.527 175.413 176.000 -0.100 0.000 0.932 37 Q CA -0.371 55.286 55.803 -0.244 0.000 0.945 37 Q CB -0.059 28.502 28.738 -0.295 0.000 1.045 37 Q HN 0.179 nan 8.270 nan 0.000 0.511 38 Y N 2.603 122.835 120.300 -0.113 0.000 2.425 38 Y HA 0.280 4.830 4.550 -0.001 0.000 0.331 38 Y C -1.986 173.863 175.900 -0.084 0.000 1.157 38 Y CA -3.238 54.805 58.100 -0.094 0.000 1.372 38 Y CB -0.170 38.246 38.460 -0.075 0.000 1.253 38 Y HN 0.094 nan 8.280 nan 0.000 0.536 39 P HA 0.112 nan 4.420 nan 0.000 0.269 39 P C -0.950 176.363 177.300 0.021 0.000 1.209 39 P CA 0.115 63.224 63.100 0.014 0.000 0.776 39 P CB 0.681 32.378 31.700 -0.004 0.000 0.876 40 V N 3.534 123.439 119.914 -0.016 0.000 2.760 40 V HA 0.386 4.505 4.120 -0.001 0.000 0.309 40 V C -0.691 175.396 176.094 -0.012 0.000 1.077 40 V CA -0.607 61.693 62.300 0.001 0.000 0.910 40 V CB 1.773 33.564 31.823 -0.053 0.000 1.008 40 V HN 0.382 nan 8.190 nan 0.000 0.424 41 F N 5.657 125.546 119.950 -0.102 0.000 2.410 41 F HA 0.626 5.153 4.527 -0.001 0.000 0.349 41 F C 0.558 176.248 175.800 -0.184 0.000 1.117 41 F CA -0.391 57.515 58.000 -0.156 0.000 1.104 41 F CB 1.677 40.607 39.000 -0.116 0.000 1.122 41 F HN 0.288 nan 8.300 nan 0.000 0.483 42 V N 3.017 122.291 119.914 -1.066 0.000 3.111 42 V HA 0.488 4.608 4.120 -0.001 0.000 0.343 42 V C 0.646 175.932 176.094 -1.346 0.000 1.417 42 V CA 0.031 61.755 62.300 -0.960 0.000 1.142 42 V CB -0.015 31.405 31.823 -0.670 0.000 1.114 42 V HN 1.429 nan 8.190 nan 0.000 0.520 43 G N 0.526 108.032 108.800 -2.157 0.000 2.141 43 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.242 43 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.242 43 G C -0.093 174.431 174.900 -0.627 0.000 0.982 43 G CA 0.532 44.729 45.100 -1.504 0.000 0.662 43 G HN 0.815 nan 8.290 nan 0.000 0.527 44 H N 0.265 119.116 119.070 -0.364 0.000 2.473 44 H HA 0.549 5.105 4.556 -0.001 0.000 0.327 44 H C 0.581 175.997 175.328 0.147 0.000 1.105 44 H CA -0.627 55.392 56.048 -0.048 0.000 1.280 44 H CB 1.118 30.887 29.762 0.012 0.000 1.450 44 H HN 0.160 nan 8.280 nan 0.000 0.492 45 K N 2.815 123.347 120.400 0.219 0.000 2.138 45 K HA 0.046 4.366 4.320 -0.001 0.000 0.251 45 K C -1.522 175.024 176.600 -0.089 0.000 1.015 45 K CA -1.553 54.803 56.287 0.115 0.000 0.917 45 K CB 0.481 33.018 32.500 0.061 0.000 1.021 45 K HN 0.421 nan 8.250 nan 0.000 0.485 46 P HA -0.096 nan 4.420 nan 0.000 0.219 46 P C 0.023 177.046 177.300 -0.463 0.000 1.146 46 P CA 0.684 63.319 63.100 -0.775 0.000 0.808 46 P CB 0.107 31.524 31.700 -0.471 0.000 0.779 47 G N 1.413 110.069 108.800 -0.239 0.000 2.354 47 G HA2 0.148 4.108 3.960 -0.001 0.000 0.266 47 G HA3 0.148 4.108 3.960 -0.001 0.000 0.266 47 G C 0.334 175.142 174.900 -0.154 0.000 1.242 47 G CA -0.481 44.522 45.100 -0.162 0.000 0.923 47 G HN 0.231 nan 8.290 nan 0.000 0.476 52 Q N 2.808 122.576 119.800 -0.054 0.000 2.263 52 Q HA 0.194 4.534 4.340 -0.001 0.000 0.289 52 Q C -0.238 175.776 176.000 0.023 0.000 1.061 52 Q CA 0.757 56.556 55.803 -0.007 0.000 0.927 52 Q CB 0.363 29.098 28.738 -0.005 0.000 1.154 52 Q HN 0.310 nan 8.270 nan 0.000 0.378 53 R N 3.522 124.049 120.500 0.044 0.000 2.502 53 R HA 0.344 4.684 4.340 -0.001 0.000 0.300 53 R C -1.122 175.302 176.300 0.207 0.000 0.984 53 R CA -0.692 55.413 56.100 0.008 0.000 0.882 53 R CB 1.587 31.778 30.300 -0.182 0.000 1.180 53 R HN 0.663 nan 8.270 nan 0.000 0.444 54 H N 3.838 122.993 119.070 0.142 0.000 2.689 54 H HA 0.177 4.732 4.556 -0.001 0.000 0.346 54 H C -0.298 175.214 175.328 0.306 0.000 1.037 54 H CA -0.835 55.335 56.048 0.204 0.000 1.234 54 H CB 1.415 31.247 29.762 0.116 0.000 1.572 54 H HN 0.590 nan 8.280 nan 0.000 0.524 55 R N 4.603 125.085 120.500 -0.029 0.000 2.500 55 R HA -0.048 4.291 4.340 -0.001 0.000 0.281 55 R C 0.027 176.370 176.300 0.071 0.000 0.953 55 R CA 0.101 56.169 56.100 -0.052 0.000 1.108 55 R CB 0.425 30.577 30.300 -0.247 0.000 0.901 55 R HN 0.579 nan 8.270 nan 0.000 0.410 56 L N 1.209 122.507 121.223 0.126 0.000 2.270 56 L HA -0.044 4.296 4.340 -0.001 0.000 0.210 56 L C -0.007 176.992 176.870 0.215 0.000 1.104 56 L CA 0.401 55.347 54.840 0.178 0.000 0.804 56 L CB -0.423 41.712 42.059 0.128 0.000 0.937 56 L HN 0.783 nan 8.230 nan 0.000 0.450 57 D N 1.161 121.668 120.400 0.178 0.000 2.689 57 D HA -0.173 4.467 4.640 -0.001 0.000 0.237 57 D C 0.122 176.578 176.300 0.260 0.000 1.148 57 D CA 0.682 54.823 54.000 0.235 0.000 0.656 57 D CB -1.147 39.880 40.800 0.377 0.000 1.050 57 D HN 0.251 nan 8.370 nan 0.000 0.426 58 I N 0.667 121.371 120.570 0.222 0.000 2.752 58 I HA -0.176 3.994 4.170 -0.001 0.000 0.289 58 I C 1.832 178.058 176.117 0.181 0.000 1.197 58 I CA 0.549 61.981 61.300 0.221 0.000 1.432 58 I CB 0.581 38.706 38.000 0.210 0.000 1.359 58 I HN 0.017 nan 8.210 nan 0.000 0.571 59 Q N 6.054 125.956 119.800 0.171 0.000 2.442 59 Q HA 0.306 4.645 4.340 -0.001 0.000 0.228 59 Q C 0.016 176.078 176.000 0.103 0.000 0.902 59 Q CA 0.863 56.744 55.803 0.129 0.000 0.933 59 Q CB 0.816 29.633 28.738 0.131 0.000 1.071 59 Q HN 0.796 nan 8.270 nan 0.000 0.562 60 M N -0.545 119.121 119.600 0.109 0.000 2.694 60 M HA 0.559 5.039 4.480 -0.001 0.000 0.276 60 M C -1.356 174.999 176.300 0.091 0.000 1.167 60 M CA -0.957 54.395 55.300 0.087 0.000 0.849 60 M CB 2.169 34.815 32.600 0.076 0.000 1.705 60 M HN -0.047 nan 8.290 nan 0.000 0.504 61 I N 0.408 121.020 120.570 0.070 0.000 2.785 61 I HA 0.928 5.097 4.170 -0.001 0.000 0.302 61 I C -1.045 175.106 176.117 0.057 0.000 1.069 61 I CA -1.003 60.335 61.300 0.063 0.000 1.045 61 I CB 2.396 40.417 38.000 0.035 0.000 1.236 61 I HN 1.019 nan 8.210 nan 0.000 0.429 62 M N 3.793 123.436 119.600 0.072 0.000 2.520 62 M HA 0.635 5.114 4.480 -0.001 0.000 0.280 62 M C -1.954 174.406 176.300 0.099 0.000 1.232 62 M CA -0.661 54.679 55.300 0.067 0.000 0.892 62 M CB 2.516 35.147 32.600 0.051 0.000 1.728 62 M HN 0.501 nan 8.290 nan 0.000 0.475 63 I N 2.743 123.352 120.570 0.065 0.000 2.354 63 I HA 0.582 4.751 4.170 -0.001 0.000 0.292 63 I C -0.972 175.204 176.117 0.100 0.000 0.989 63 I CA -0.584 60.756 61.300 0.067 0.000 1.188 63 I CB 1.955 39.953 38.000 -0.004 0.000 1.342 63 I HN 0.843 nan 8.210 nan 0.000 0.457 64 M N 6.719 126.428 119.600 0.181 0.000 2.259 64 M HA 0.349 4.828 4.480 -0.001 0.000 0.304 64 M C 0.144 176.526 176.300 0.138 0.000 1.019 64 M CA 0.054 55.438 55.300 0.139 0.000 0.922 64 M CB 1.175 33.833 32.600 0.098 0.000 1.600 64 M HN 0.780 nan 8.290 nan 0.000 0.433 65 N N 2.378 121.125 118.700 0.078 0.000 1.424 65 N HA -0.245 4.495 4.740 -0.001 0.000 0.147 65 N C -0.475 175.056 175.510 0.034 0.000 0.709 65 N CA 1.954 55.038 53.050 0.056 0.000 1.052 65 N CB -0.329 38.197 38.487 0.064 0.000 1.281 65 N HN 0.835 nan 8.380 nan 0.000 0.478 66 R N 0.117 120.627 120.500 0.016 0.000 2.613 66 R HA 0.317 4.657 4.340 -0.001 0.000 0.361 66 R C -0.519 175.737 176.300 -0.073 0.000 1.072 66 R CA 0.067 56.153 56.100 -0.022 0.000 1.089 66 R CB 0.226 30.515 30.300 -0.019 0.000 1.343 66 R HN 0.399 nan 8.270 nan 0.000 0.571 67 T N 1.548 116.062 114.554 -0.067 0.000 2.807 67 T HA 0.325 4.674 4.350 -0.001 0.000 0.279 67 T C -0.705 173.847 174.700 -0.246 0.000 0.993 67 T CA -0.507 61.468 62.100 -0.208 0.000 0.970 67 T CB 1.988 70.686 68.868 -0.284 0.000 0.950 67 T HN 0.002 nan 8.240 nan 0.000 0.441 68 L N 4.654 125.648 121.223 -0.382 0.000 2.281 68 L HA 0.493 4.833 4.340 -0.001 0.000 0.285 68 L C -1.427 175.195 176.870 -0.415 0.000 1.074 68 L CA -0.261 54.361 54.840 -0.363 0.000 0.817 68 L CB -0.071 41.665 42.059 -0.540 0.000 1.168 68 L HN 0.581 nan 8.230 nan 0.000 0.434 69 Y N 4.133 124.348 120.300 -0.142 0.000 2.330 69 Y HA 0.550 5.099 4.550 -0.001 0.000 0.336 69 Y C -0.119 175.749 175.900 -0.054 0.000 1.036 69 Y CA -0.759 57.293 58.100 -0.079 0.000 1.125 69 Y CB 1.723 40.162 38.460 -0.034 0.000 1.194 69 Y HN 0.270 nan 8.280 nan 0.000 0.469 70 V N 3.731 123.713 119.914 0.114 0.000 2.304 70 V HA 0.545 4.664 4.120 -0.001 0.000 0.278 70 V C 0.000 176.244 176.094 0.250 0.000 1.018 70 V CA -1.054 61.346 62.300 0.167 0.000 0.814 70 V CB 0.774 32.699 31.823 0.169 0.000 1.021 70 V HN 0.886 nan 8.190 nan 0.000 0.440 71 A N 4.175 127.108 122.820 0.189 0.000 2.362 71 A HA 0.889 5.209 4.320 -0.001 0.000 0.276 71 A C 0.428 178.129 177.584 0.196 0.000 1.153 71 A CA 0.584 52.715 52.037 0.156 0.000 0.813 71 A CB 0.636 19.703 19.000 0.110 0.000 1.081 71 A HN 1.333 nan 8.150 nan 0.000 0.507 72 A N 2.521 125.456 122.820 0.193 0.000 2.733 72 A HA 0.782 5.101 4.320 -0.001 0.000 0.299 72 A C 0.043 177.714 177.584 0.146 0.000 1.252 72 A CA -0.680 51.505 52.037 0.245 0.000 0.677 72 A CB 0.380 19.619 19.000 0.398 0.000 1.361 72 A HN 0.944 nan 8.150 nan 0.000 0.528 73 R N 0.104 120.676 120.500 0.119 0.000 2.401 73 R HA 0.315 4.655 4.340 -0.001 0.000 0.299 73 R C -0.789 175.412 176.300 -0.164 0.000 1.064 73 R CA 0.772 56.737 56.100 -0.226 0.000 1.000 73 R CB -0.077 29.994 30.300 -0.382 0.000 0.973 73 R HN 0.635 nan 8.270 nan 0.000 0.438 74 D N 1.149 121.345 120.400 -0.340 0.000 3.006 74 D HA -0.218 4.422 4.640 -0.001 0.000 0.208 74 D C -0.707 175.190 176.300 -0.671 0.000 1.116 74 D CA 1.690 55.425 54.000 -0.441 0.000 0.998 74 D CB -0.798 39.753 40.800 -0.415 0.000 1.124 74 D HN 0.668 nan 8.370 nan 0.000 0.413 75 H N -1.512 117.461 119.070 -0.163 0.000 3.037 75 H HA 0.585 5.141 4.556 -0.001 0.000 0.355 75 H C -0.180 174.992 175.328 -0.261 0.000 1.263 75 H CA -0.619 55.263 56.048 -0.277 0.000 1.129 75 H CB 1.298 30.704 29.762 -0.594 0.000 1.861 75 H HN -0.138 nan 8.280 nan 0.000 0.546 76 I N 2.515 122.995 120.570 -0.150 0.000 2.410 76 I HA 0.195 4.364 4.170 -0.001 0.000 0.286 76 I C -0.801 175.219 176.117 -0.160 0.000 1.009 76 I CA -0.567 60.685 61.300 -0.080 0.000 1.111 76 I CB 0.990 38.996 38.000 0.009 0.000 1.262 76 I HN 0.318 nan 8.210 nan 0.000 0.443 77 Y N 3.544 123.911 120.300 0.112 0.000 2.335 77 Y HA 0.552 5.101 4.550 -0.001 0.000 0.323 77 Y C 0.940 176.765 175.900 -0.125 0.000 1.224 77 Y CA -0.644 57.485 58.100 0.048 0.000 1.241 77 Y CB 1.421 39.988 38.460 0.178 0.000 1.235 77 Y HN 0.478 nan 8.280 nan 0.000 0.492 78 T N -1.340 113.183 114.554 -0.051 0.000 2.893 78 T HA 0.778 5.127 4.350 -0.001 0.000 0.291 78 T C -1.300 173.220 174.700 -0.298 0.000 1.028 78 T CA -0.837 61.068 62.100 -0.326 0.000 0.995 78 T CB 1.368 69.974 68.868 -0.438 0.000 1.051 78 T HN 0.382 nan 8.240 nan 0.000 0.470 79 V N 2.258 121.928 119.914 -0.406 0.000 2.531 79 V HA 0.369 4.488 4.120 -0.001 0.000 0.301 79 V C -0.853 175.066 176.094 -0.292 0.000 1.034 79 V CA -0.916 61.184 62.300 -0.334 0.000 0.865 79 V CB 1.776 33.334 31.823 -0.441 0.000 0.995 79 V HN 0.950 nan 8.190 nan 0.000 0.424 80 D N 4.624 124.907 120.400 -0.194 0.000 2.402 80 D HA 0.308 4.947 4.640 -0.001 0.000 0.235 80 D C 1.360 177.564 176.300 -0.161 0.000 1.226 80 D CA 0.055 53.958 54.000 -0.162 0.000 0.918 80 D CB 1.037 41.776 40.800 -0.102 0.000 1.043 80 D HN 0.412 nan 8.370 nan 0.000 0.506 81 I N 0.917 121.377 120.570 -0.184 0.000 2.145 81 I HA -0.315 3.855 4.170 -0.001 0.000 0.244 81 I C 1.460 177.503 176.117 -0.124 0.000 1.075 81 I CA 1.261 62.466 61.300 -0.159 0.000 1.332 81 I CB 0.029 37.945 38.000 -0.140 0.000 1.033 81 I HN 0.204 nan 8.210 nan 0.000 0.410 82 D N -0.057 120.288 120.400 -0.091 0.000 2.317 82 D HA -0.078 4.562 4.640 -0.001 0.000 0.211 82 D C 1.926 178.168 176.300 -0.097 0.000 0.966 82 D CA 1.594 55.564 54.000 -0.050 0.000 0.876 82 D CB -0.064 40.736 40.800 0.001 0.000 0.927 82 D HN 0.459 nan 8.370 nan 0.000 0.519 83 T N -3.071 111.387 114.554 -0.161 0.000 3.092 83 T HA 0.140 4.489 4.350 -0.001 0.000 0.258 83 T C 0.699 175.190 174.700 -0.348 0.000 1.031 83 T CA -0.481 61.523 62.100 -0.159 0.000 0.925 83 T CB 0.287 69.135 68.868 -0.034 0.000 1.036 83 T HN -0.153 nan 8.240 nan 0.000 0.544 84 S N 0.953 116.357 115.700 -0.492 0.000 2.404 84 S HA 0.387 4.856 4.470 -0.001 0.000 0.309 84 S C -0.122 174.160 174.600 -0.531 0.000 1.076 84 S CA -0.613 57.373 58.200 -0.357 0.000 1.095 84 S CB -0.003 63.091 63.200 -0.176 0.000 0.972 84 S HN 0.617 nan 8.310 nan 0.000 0.484 85 H N 1.407 120.495 119.070 0.030 0.000 3.233 85 H HA 0.198 4.753 4.556 -0.001 0.000 0.263 85 H C 0.904 176.239 175.328 0.012 0.000 1.168 85 H CA 0.026 56.083 56.048 0.016 0.000 1.159 85 H CB 0.678 30.450 29.762 0.017 0.000 1.593 85 H HN 0.624 nan 8.280 nan 0.000 0.580 86 T N -1.347 113.259 114.554 0.086 0.000 2.828 86 T HA 0.053 4.403 4.350 -0.001 0.000 0.290 86 T C 1.345 176.029 174.700 -0.027 0.000 1.019 86 T CA -0.562 61.566 62.100 0.047 0.000 1.031 86 T CB 1.674 70.586 68.868 0.072 0.000 1.001 86 T HN 0.077 nan 8.240 nan 0.000 0.531 87 E N 0.307 120.487 120.200 -0.033 0.000 2.106 87 E HA -0.046 4.304 4.350 -0.001 0.000 0.192 87 E C 0.703 177.229 176.600 -0.123 0.000 0.984 87 E CA 0.867 57.234 56.400 -0.055 0.000 0.806 87 E CB 0.074 29.752 29.700 -0.037 0.000 0.750 87 E HN 0.854 nan 8.360 nan 0.000 0.458 88 E N 0.674 120.736 120.200 -0.230 0.000 2.146 88 E HA 0.206 4.555 4.350 -0.001 0.000 0.282 88 E C -0.552 175.672 176.600 -0.625 0.000 0.989 88 E CA -0.290 55.869 56.400 -0.401 0.000 0.799 88 E CB 0.653 30.083 29.700 -0.449 0.000 1.088 88 E HN -0.047 nan 8.360 nan 0.000 0.397 89 I N 5.367 125.736 120.570 -0.334 0.000 2.452 89 I HA 0.055 4.225 4.170 -0.001 0.000 0.287 89 I C -0.598 175.452 176.117 -0.111 0.000 1.079 89 I CA -0.201 60.999 61.300 -0.167 0.000 1.387 89 I CB 0.105 38.150 38.000 0.074 0.000 1.404 89 I HN 0.521 nan 8.210 nan 0.000 0.522 90 Y N 5.092 125.489 120.300 0.162 0.000 2.334 90 Y HA 0.241 4.790 4.550 -0.001 0.000 0.328 90 Y C 0.630 176.670 175.900 0.233 0.000 1.130 90 Y CA -0.857 57.350 58.100 0.178 0.000 1.163 90 Y CB 1.003 39.519 38.460 0.093 0.000 1.207 90 Y HN 0.541 nan 8.280 nan 0.000 0.471 91 C N 2.205 121.826 119.300 0.535 0.000 2.611 91 C HA 0.113 4.573 4.460 -0.001 0.000 0.416 91 C C 1.757 176.872 174.990 0.208 0.000 1.366 91 C CA 0.943 60.202 59.018 0.403 0.000 1.761 91 C CB -0.318 27.702 27.740 0.466 0.000 2.619 91 C HN 1.066 nan 8.230 nan 0.000 0.606 92 S N 3.306 119.061 115.700 0.093 0.000 2.527 92 S HA 0.258 4.728 4.470 -0.001 0.000 0.225 92 S C 0.504 175.129 174.600 0.041 0.000 1.046 92 S CA 0.641 58.866 58.200 0.042 0.000 0.929 92 S CB -0.014 63.170 63.200 -0.026 0.000 0.851 92 S HN 0.855 nan 8.310 nan 0.000 0.565 93 K N 0.941 121.355 120.400 0.023 0.000 2.318 93 K HA 0.470 4.790 4.320 -0.001 0.000 0.249 93 K C -1.430 175.209 176.600 0.065 0.000 0.942 93 K CA -0.619 55.690 56.287 0.037 0.000 0.808 93 K CB 2.117 34.624 32.500 0.011 0.000 1.189 93 K HN 0.063 nan 8.250 nan 0.000 0.428 94 K N 3.129 123.572 120.400 0.071 0.000 2.463 94 K HA 0.332 4.651 4.320 -0.001 0.000 0.255 94 K C -1.382 175.240 176.600 0.038 0.000 0.942 94 K CA -0.612 55.707 56.287 0.053 0.000 0.814 94 K CB 1.205 33.756 32.500 0.086 0.000 1.122 94 K HN 0.539 nan 8.250 nan 0.000 0.425 95 L N 3.727 124.943 121.223 -0.011 0.000 2.276 95 L HA 0.442 4.782 4.340 -0.001 0.000 0.286 95 L C -1.056 175.823 176.870 0.014 0.000 1.061 95 L CA -0.046 54.777 54.840 -0.029 0.000 0.807 95 L CB 1.513 43.477 42.059 -0.158 0.000 1.177 95 L HN 0.645 nan 8.230 nan 0.000 0.429 96 T N 4.439 119.024 114.554 0.051 0.000 2.792 96 T HA 0.369 4.718 4.350 -0.001 0.000 0.280 96 T C -1.558 173.192 174.700 0.084 0.000 0.990 96 T CA -0.124 61.972 62.100 -0.006 0.000 0.960 96 T CB 0.866 69.779 68.868 0.075 0.000 0.939 96 T HN 0.598 nan 8.240 nan 0.000 0.439 97 W N 5.292 126.453 121.300 -0.232 0.000 2.534 97 W HA 0.444 5.103 4.660 -0.001 0.000 0.292 97 W C -1.313 175.110 176.519 -0.160 0.000 1.027 97 W CA -1.489 55.788 57.345 -0.113 0.000 1.304 97 W CB 0.374 29.814 29.460 -0.032 0.000 1.187 97 W HN 0.460 nan 8.180 nan 0.000 0.356 98 K N 2.682 123.149 120.400 0.111 0.000 2.110 98 K HA 0.529 4.848 4.320 -0.001 0.000 0.263 98 K C 0.573 177.200 176.600 0.045 0.000 0.975 98 K CA -0.713 55.563 56.287 -0.019 0.000 0.895 98 K CB 1.637 34.140 32.500 0.005 0.000 1.060 98 K HN 0.126 nan 8.250 nan 0.000 0.448 99 S N 1.781 117.451 115.700 -0.050 0.000 2.560 99 S HA 0.042 4.511 4.470 -0.001 0.000 0.284 99 S C 0.140 174.769 174.600 0.048 0.000 1.327 99 S CA -0.260 57.935 58.200 -0.009 0.000 1.055 99 S CB 0.306 63.476 63.200 -0.050 0.000 0.868 99 S HN 0.371 nan 8.310 nan 0.000 0.506 100 R N 1.771 122.316 120.500 0.076 0.000 2.640 100 R HA -0.026 4.314 4.340 -0.001 0.000 0.270 100 R C 1.415 177.735 176.300 0.033 0.000 1.024 100 R CA -0.189 55.946 56.100 0.059 0.000 1.085 100 R CB 0.166 30.503 30.300 0.062 0.000 0.963 100 R HN 0.582 nan 8.270 nan 0.000 0.426 101 Q N 2.926 122.742 119.800 0.026 0.000 2.181 101 Q HA -0.198 4.142 4.340 -0.001 0.000 0.205 101 Q C 1.810 177.817 176.000 0.012 0.000 0.980 101 Q CA 2.303 58.115 55.803 0.014 0.000 0.862 101 Q CB -0.109 28.639 28.738 0.016 0.000 0.905 101 Q HN 0.784 nan 8.270 nan 0.000 0.429 102 A N 0.299 123.130 122.820 0.018 0.000 1.933 102 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 102 A C 1.804 179.399 177.584 0.018 0.000 1.175 102 A CA 1.761 53.808 52.037 0.015 0.000 0.628 102 A CB -0.599 18.411 19.000 0.016 0.000 0.814 102 A HN 0.454 nan 8.150 nan 0.000 0.444 103 D N -0.279 120.137 120.400 0.026 0.000 2.144 103 D HA -0.078 4.562 4.640 -0.001 0.000 0.200 103 D C 2.134 178.452 176.300 0.031 0.000 0.978 103 D CA 1.358 55.380 54.000 0.036 0.000 0.833 103 D CB -0.253 40.575 40.800 0.047 0.000 0.961 103 D HN 0.233 nan 8.370 nan 0.000 0.470 104 V N 2.056 121.973 119.914 0.006 0.000 2.255 104 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 104 V C 1.970 178.059 176.094 -0.008 0.000 1.051 104 V CA 1.841 64.128 62.300 -0.021 0.000 1.018 104 V CB -0.459 31.326 31.823 -0.063 0.000 0.641 104 V HN 0.057 nan 8.190 nan 0.000 0.445 105 D N -0.160 120.238 120.400 -0.004 0.000 2.123 105 D HA -0.145 4.494 4.640 -0.001 0.000 0.196 105 D C 2.266 178.563 176.300 -0.004 0.000 0.992 105 D CA 1.898 55.896 54.000 -0.003 0.000 0.833 105 D CB -0.507 40.292 40.800 -0.001 0.000 0.954 105 D HN 0.415 nan 8.370 nan 0.000 0.455 106 T N 0.171 114.725 114.554 0.001 0.000 2.708 106 T HA -0.171 4.179 4.350 -0.001 0.000 0.266 106 T C 2.175 176.869 174.700 -0.009 0.000 1.037 106 T CA 1.116 63.211 62.100 -0.008 0.000 1.146 106 T CB -0.685 68.184 68.868 0.002 0.000 0.865 106 T HN 0.283 nan 8.240 nan 0.000 0.435 107 c N 2.233 120.850 118.600 0.029 0.000 2.401 107 c HA -0.111 4.458 4.570 -0.001 0.000 0.276 107 c C 2.832 176.912 174.090 -0.016 0.000 1.233 107 c CA 0.834 57.192 56.329 0.048 0.000 1.753 107 c CB -0.972 41.603 42.510 0.109 0.000 2.029 107 c HN 0.400 nan 8.230 nan 0.000 0.478 108 R N 0.343 120.834 120.500 -0.014 0.000 2.090 108 R HA 0.014 4.354 4.340 -0.001 0.000 0.228 108 R C 2.139 178.424 176.300 -0.026 0.000 1.110 108 R CA 1.390 57.478 56.100 -0.019 0.000 0.973 108 R CB -0.905 29.394 30.300 -0.001 0.000 0.869 108 R HN 0.603 nan 8.270 nan 0.000 0.440 109 M N 0.729 120.312 119.600 -0.029 0.000 2.213 109 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 109 M C 1.517 177.783 176.300 -0.058 0.000 1.062 109 M CA 1.551 56.829 55.300 -0.037 0.000 1.105 109 M CB -0.270 32.307 32.600 -0.038 0.000 1.385 109 M HN -0.023 nan 8.290 nan 0.000 0.417 110 K N 0.273 120.625 120.400 -0.081 0.000 2.551 110 K HA 0.112 4.432 4.320 -0.001 0.000 0.192 110 K C 1.022 177.600 176.600 -0.037 0.000 1.027 110 K CA 0.483 56.705 56.287 -0.109 0.000 1.059 110 K CB -0.078 32.269 32.500 -0.255 0.000 0.831 110 K HN 0.566 nan 8.250 nan 0.000 0.508 111 G N 1.408 110.177 108.800 -0.053 0.000 2.176 111 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.253 111 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.253 111 G C -0.083 174.710 174.900 -0.179 0.000 0.979 111 G CA -0.190 44.868 45.100 -0.071 0.000 0.641 111 G HN 0.083 nan 8.290 nan 0.000 0.530 112 K N 0.689 120.953 120.400 -0.227 0.000 2.168 112 K HA 0.433 4.752 4.320 -0.001 0.000 0.258 112 K C 0.589 177.056 176.600 -0.223 0.000 1.010 112 K CA -0.301 55.743 56.287 -0.404 0.000 0.929 112 K CB 0.381 32.532 32.500 -0.582 0.000 0.998 112 K HN 0.612 nan 8.250 nan 0.000 0.479 113 H N 0.277 119.325 119.070 -0.036 0.000 2.508 113 H HA 0.102 4.657 4.556 -0.001 0.000 0.358 113 H C 1.258 176.626 175.328 0.067 0.000 1.212 113 H CA -0.480 55.583 56.048 0.026 0.000 1.356 113 H CB 1.335 31.125 29.762 0.047 0.000 1.525 113 H HN 0.494 nan 8.280 nan 0.000 0.578 114 K N 0.840 121.376 120.400 0.226 0.000 2.063 114 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 114 K C 1.244 178.010 176.600 0.277 0.000 1.048 114 K CA 1.940 58.333 56.287 0.176 0.000 0.928 114 K CB -0.059 32.533 32.500 0.153 0.000 0.713 114 K HN 0.760 nan 8.250 nan 0.000 0.442 115 D N 0.343 120.937 120.400 0.323 0.000 2.219 115 D HA -0.202 4.437 4.640 -0.001 0.000 0.205 115 D C 1.314 177.962 176.300 0.581 0.000 0.970 115 D CA 1.267 55.519 54.000 0.419 0.000 0.851 115 D CB -0.159 40.810 40.800 0.280 0.000 0.943 115 D HN 0.662 nan 8.370 nan 0.000 0.488 116 E N -0.197 120.284 120.200 0.469 0.000 2.415 116 E HA 0.047 4.396 4.350 -0.001 0.000 0.197 116 E C 0.468 177.444 176.600 0.628 0.000 1.007 116 E CA -0.156 56.564 56.400 0.533 0.000 0.890 116 E CB -0.208 29.722 29.700 0.384 0.000 0.891 116 E HN 0.027 nan 8.360 nan 0.000 0.496 117 c N 3.381 122.197 118.600 0.361 0.000 3.247 117 c HA 0.325 4.894 4.570 -0.001 0.000 0.573 117 c C -0.110 173.889 174.090 -0.152 0.000 1.106 117 c CA -0.390 56.045 56.329 0.177 0.000 1.209 117 c CB -2.376 40.158 42.510 0.039 0.000 1.460 117 c HN 0.393 nan 8.230 nan 0.000 0.634 118 H N 0.042 119.221 119.070 0.182 0.000 2.931 118 H HA 0.286 4.841 4.556 -0.001 0.000 0.331 118 H C -0.626 174.570 175.328 -0.220 0.000 1.273 118 H CA -0.699 55.280 56.048 -0.116 0.000 1.171 118 H CB 1.091 30.634 29.762 -0.364 0.000 1.898 118 H HN 0.086 nan 8.280 nan 0.000 0.562 119 N N 1.173 119.715 118.700 -0.264 0.000 2.521 119 N HA 0.135 4.874 4.740 -0.001 0.000 0.236 119 N C -1.450 173.794 175.510 -0.445 0.000 1.067 119 N CA -0.168 52.656 53.050 -0.377 0.000 0.939 119 N CB -0.638 37.503 38.487 -0.577 0.000 1.201 119 N HN 0.229 nan 8.380 nan 0.000 0.511 120 F N 3.679 123.528 119.950 -0.168 0.000 2.411 120 F HA 0.355 4.881 4.527 -0.001 0.000 0.355 120 F C 0.733 176.434 175.800 -0.163 0.000 1.117 120 F CA -0.896 57.032 58.000 -0.120 0.000 1.139 120 F CB 0.686 39.642 39.000 -0.074 0.000 1.120 120 F HN 0.179 nan 8.300 nan 0.000 0.493 121 I N 5.137 125.710 120.570 0.004 0.000 2.517 121 I HA 0.053 4.222 4.170 -0.001 0.000 0.285 121 I C 0.789 176.925 176.117 0.031 0.000 1.106 121 I CA 0.137 61.418 61.300 -0.031 0.000 1.402 121 I CB 0.705 38.696 38.000 -0.015 0.000 1.399 121 I HN 0.649 nan 8.210 nan 0.000 0.535 122 K N 4.416 124.819 120.400 0.004 0.000 2.450 122 K HA 0.282 4.601 4.320 -0.001 0.000 0.206 122 K C -0.326 176.292 176.600 0.029 0.000 1.148 122 K CA 0.282 56.581 56.287 0.021 0.000 1.014 122 K CB 1.418 33.915 32.500 -0.004 0.000 0.966 122 K HN 0.350 nan 8.250 nan 0.000 0.566 123 V N 2.393 122.323 119.914 0.026 0.000 2.525 123 V HA 0.398 4.517 4.120 -0.001 0.000 0.299 123 V C -1.305 174.827 176.094 0.063 0.000 1.034 123 V CA -1.016 61.317 62.300 0.056 0.000 0.863 123 V CB 2.084 33.951 31.823 0.073 0.000 0.999 123 V HN 0.019 nan 8.190 nan 0.000 0.423 124 L N 7.257 128.525 121.223 0.076 0.000 2.504 124 L HA 0.721 5.060 4.340 -0.001 0.000 0.265 124 L C -1.394 175.522 176.870 0.077 0.000 0.975 124 L CA 0.082 54.958 54.840 0.059 0.000 0.864 124 L CB 1.235 43.304 42.059 0.016 0.000 1.212 124 L HN 0.577 nan 8.230 nan 0.000 0.416 125 L N 3.532 124.851 121.223 0.160 0.000 2.370 125 L HA 0.557 4.896 4.340 -0.001 0.000 0.266 125 L C -0.204 176.764 176.870 0.164 0.000 1.002 125 L CA -0.913 54.045 54.840 0.198 0.000 0.818 125 L CB 2.200 44.475 42.059 0.360 0.000 1.325 125 L HN 0.496 nan 8.230 nan 0.000 0.418 126 K N 2.363 122.817 120.400 0.090 0.000 2.338 126 K HA 0.092 4.411 4.320 -0.001 0.000 0.290 126 K C 0.523 177.143 176.600 0.034 0.000 1.069 126 K CA -0.030 56.281 56.287 0.039 0.000 0.941 126 K CB 0.842 33.346 32.500 0.007 0.000 1.023 126 K HN 0.567 nan 8.250 nan 0.000 0.477 127 K N 3.110 123.494 120.400 -0.026 0.000 2.098 127 K HA -0.102 4.218 4.320 -0.001 0.000 0.203 127 K C 0.146 176.621 176.600 -0.209 0.000 1.051 127 K CA 1.566 57.683 56.287 -0.284 0.000 0.957 127 K CB 0.160 32.505 32.500 -0.258 0.000 0.738 127 K HN 0.861 nan 8.250 nan 0.000 0.447 128 N N -2.232 116.420 118.700 -0.080 0.000 3.449 128 N HA 0.061 4.800 4.740 -0.001 0.000 0.312 128 N C -0.477 175.029 175.510 -0.006 0.000 1.582 128 N CA -0.498 52.523 53.050 -0.048 0.000 0.850 128 N CB 0.055 38.511 38.487 -0.051 0.000 1.822 128 N HN -0.323 nan 8.380 nan 0.000 0.577 129 D N -0.821 119.578 120.400 -0.001 0.000 2.218 129 D HA -0.042 4.597 4.640 -0.001 0.000 0.204 129 D C -0.091 176.224 176.300 0.025 0.000 0.976 129 D CA 1.506 55.514 54.000 0.012 0.000 0.853 129 D CB -0.277 40.528 40.800 0.008 0.000 0.939 129 D HN 0.627 nan 8.370 nan 0.000 0.481 130 D N -1.440 118.975 120.400 0.024 0.000 2.407 130 D HA 0.075 4.714 4.640 -0.001 0.000 0.208 130 D C -0.245 176.104 176.300 0.082 0.000 1.083 130 D CA 0.304 54.323 54.000 0.032 0.000 0.844 130 D CB 0.715 41.509 40.800 -0.009 0.000 0.967 130 D HN -0.102 nan 8.370 nan 0.000 0.506 131 T N 0.842 115.455 114.554 0.100 0.000 2.879 131 T HA 0.457 4.806 4.350 -0.001 0.000 0.290 131 T C -0.550 174.236 174.700 0.143 0.000 0.993 131 T CA -0.640 61.569 62.100 0.181 0.000 0.975 131 T CB 1.660 70.656 68.868 0.213 0.000 0.981 131 T HN -0.059 nan 8.240 nan 0.000 0.439 132 L N 2.981 124.317 121.223 0.188 0.000 2.309 132 L HA 0.627 4.966 4.340 -0.001 0.000 0.282 132 L C -0.723 176.295 176.870 0.246 0.000 1.036 132 L CA -1.003 53.934 54.840 0.162 0.000 0.806 132 L CB 1.140 43.259 42.059 0.101 0.000 1.220 132 L HN 0.574 nan 8.230 nan 0.000 0.429 133 F N 3.672 123.687 119.950 0.108 0.000 2.411 133 F HA 0.592 5.119 4.527 -0.001 0.000 0.352 133 F C -0.604 175.279 175.800 0.137 0.000 1.123 133 F CA -0.549 57.521 58.000 0.117 0.000 1.044 133 F CB 1.244 40.387 39.000 0.237 0.000 1.135 133 F HN 0.019 nan 8.300 nan 0.000 0.461 134 V N 5.591 125.342 119.914 -0.272 0.000 2.531 134 V HA 0.431 4.551 4.120 -0.001 0.000 0.301 134 V C -0.821 175.235 176.094 -0.063 0.000 1.034 134 V CA -0.784 61.493 62.300 -0.039 0.000 0.865 134 V CB 1.421 33.362 31.823 0.196 0.000 0.995 134 V HN 0.912 nan 8.190 nan 0.000 0.424 135 c N 3.376 121.958 118.600 -0.030 0.000 2.498 135 c HA 0.954 5.523 4.570 -0.001 0.000 0.316 135 c C 0.713 174.745 174.090 -0.097 0.000 1.209 135 c CA -0.645 55.670 56.329 -0.023 0.000 1.518 135 c CB 1.120 43.596 42.510 -0.057 0.000 2.147 135 c HN 1.098 nan 8.230 nan 0.000 0.483 136 G N 0.614 109.251 108.800 -0.273 0.000 2.533 136 G HA2 0.535 4.495 3.960 -0.001 0.000 0.304 136 G HA3 0.535 4.495 3.960 -0.001 0.000 0.304 136 G C 0.700 175.418 174.900 -0.304 0.000 1.263 136 G CA 0.262 45.131 45.100 -0.385 0.000 0.964 136 G HN 0.806 nan 8.290 nan 0.000 0.479 137 T N -1.038 113.389 114.554 -0.213 0.000 2.929 137 T HA -0.164 4.185 4.350 -0.001 0.000 0.271 137 T C 1.338 175.916 174.700 -0.203 0.000 1.085 137 T CA 1.097 63.069 62.100 -0.214 0.000 1.125 137 T CB -0.315 68.455 68.868 -0.163 0.000 0.874 137 T HN 1.020 nan 8.240 nan 0.000 0.494 138 N N 1.588 120.145 118.700 -0.238 0.000 2.705 138 N HA -0.243 4.496 4.740 -0.001 0.000 0.255 138 N C 0.354 175.845 175.510 -0.031 0.000 1.008 138 N CA 1.117 54.047 53.050 -0.199 0.000 0.742 138 N CB -1.755 36.624 38.487 -0.181 0.000 0.906 138 N HN 1.289 nan 8.380 nan 0.000 0.541 139 A N 0.519 123.373 122.820 0.056 0.000 2.519 139 A HA -0.172 4.147 4.320 -0.001 0.000 0.297 139 A C 0.944 178.781 177.584 0.421 0.000 1.472 139 A CA 0.975 53.152 52.037 0.232 0.000 0.739 139 A CB -2.499 16.573 19.000 0.120 0.000 1.096 139 A HN 1.331 nan 8.150 nan 0.000 0.414 140 F N -2.538 117.497 119.950 0.141 0.000 3.067 140 F HA -0.217 4.310 4.527 -0.001 0.000 0.279 140 F C 0.668 176.650 175.800 0.303 0.000 0.945 140 F CA 1.451 59.631 58.000 0.299 0.000 0.948 140 F CB -1.291 37.964 39.000 0.424 0.000 0.898 140 F HN 0.890 nan 8.300 nan 0.000 0.746 141 N N 0.126 118.895 118.700 0.115 0.000 2.700 141 N HA 0.313 5.052 4.740 -0.001 0.000 0.242 141 N C -3.004 172.418 175.510 -0.147 0.000 1.541 141 N CA -1.895 51.162 53.050 0.012 0.000 0.764 141 N CB 1.027 39.568 38.487 0.091 0.000 1.319 141 N HN -0.239 nan 8.380 nan 0.000 0.518 142 P HA 0.098 nan 4.420 nan 0.000 0.266 142 P C -0.644 176.580 177.300 -0.127 0.000 1.195 142 P CA 0.275 63.196 63.100 -0.298 0.000 0.768 142 P CB 0.973 32.409 31.700 -0.440 0.000 0.838 143 S N 1.860 117.535 115.700 -0.042 0.000 2.541 143 S HA 0.638 5.107 4.470 -0.001 0.000 0.271 143 S C -1.374 173.366 174.600 0.233 0.000 1.133 143 S CA -0.469 57.807 58.200 0.128 0.000 0.876 143 S CB 0.600 63.948 63.200 0.246 0.000 1.105 143 S HN 0.470 nan 8.310 nan 0.000 0.470 144 c N 3.318 122.061 118.600 0.239 0.000 2.634 144 c HA 0.832 5.402 4.570 -0.001 0.000 0.313 144 c C -0.415 173.712 174.090 0.062 0.000 1.198 144 c CA -0.833 55.534 56.329 0.064 0.000 1.605 144 c CB 1.503 43.898 42.510 -0.193 0.000 2.196 144 c HN 0.938 nan 8.230 nan 0.000 0.486 145 R N 1.569 121.947 120.500 -0.204 0.000 2.774 145 R HA 0.426 4.765 4.340 -0.001 0.000 0.272 145 R C -1.552 174.561 176.300 -0.312 0.000 1.000 145 R CA -0.762 55.193 56.100 -0.241 0.000 0.906 145 R CB 1.281 31.203 30.300 -0.630 0.000 1.227 145 R HN 0.629 nan 8.270 nan 0.000 0.468 146 N N 1.189 119.714 118.700 -0.291 0.000 2.499 146 N HA 0.257 4.997 4.740 -0.001 0.000 0.281 146 N C -1.135 174.090 175.510 -0.476 0.000 1.098 146 N CA 0.266 53.100 53.050 -0.359 0.000 0.979 146 N CB 0.675 38.713 38.487 -0.748 0.000 1.121 146 N HN 0.372 nan 8.380 nan 0.000 0.466 147 Y N 0.554 120.828 120.300 -0.043 0.000 2.462 147 Y HA 0.340 4.889 4.550 -0.001 0.000 0.346 147 Y C 0.622 176.698 175.900 0.293 0.000 0.976 147 Y CA -0.935 57.228 58.100 0.105 0.000 1.044 147 Y CB 1.398 39.885 38.460 0.044 0.000 1.230 147 Y HN 0.108 nan 8.280 nan 0.000 0.455 148 R N 1.947 122.729 120.500 0.470 0.000 2.442 148 R HA 0.084 4.423 4.340 -0.001 0.000 0.291 148 R C 0.784 177.222 176.300 0.230 0.000 1.069 148 R CA 0.105 56.376 56.100 0.284 0.000 1.022 148 R CB 0.991 31.377 30.300 0.143 0.000 0.976 148 R HN 0.698 nan 8.270 nan 0.000 0.443 149 V N 2.832 122.848 119.914 0.171 0.000 2.343 149 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 149 V C 1.878 178.058 176.094 0.143 0.000 1.051 149 V CA 2.410 64.805 62.300 0.159 0.000 1.036 149 V CB -0.443 31.453 31.823 0.123 0.000 0.654 149 V HN 0.755 nan 8.190 nan 0.000 0.451 150 D N 0.296 120.755 120.400 0.099 0.000 2.149 150 D HA -0.139 4.500 4.640 -0.001 0.000 0.201 150 D C 1.864 178.209 176.300 0.075 0.000 0.972 150 D CA 1.884 55.927 54.000 0.072 0.000 0.835 150 D CB -0.643 40.181 40.800 0.041 0.000 0.966 150 D HN 0.579 nan 8.370 nan 0.000 0.476 151 T N -2.767 111.841 114.554 0.090 0.000 2.985 151 T HA 0.266 4.615 4.350 -0.001 0.000 0.254 151 T C 1.301 176.078 174.700 0.128 0.000 1.021 151 T CA -0.237 61.917 62.100 0.090 0.000 0.957 151 T CB -0.265 68.648 68.868 0.074 0.000 1.047 151 T HN 0.183 nan 8.240 nan 0.000 0.511 152 L N 0.659 121.987 121.223 0.176 0.000 3.717 152 L HA -0.175 4.164 4.340 -0.001 0.000 0.414 152 L C -0.398 176.674 176.870 0.336 0.000 1.228 152 L CA 0.485 55.455 54.840 0.217 0.000 0.918 152 L CB -1.870 40.257 42.059 0.113 0.000 1.865 152 L HN 0.515 nan 8.230 nan 0.000 0.922 153 E N -0.450 119.948 120.200 0.330 0.000 2.195 153 E HA 0.414 4.763 4.350 -0.001 0.000 0.271 153 E C 0.250 176.930 176.600 0.133 0.000 0.923 153 E CA -0.457 56.101 56.400 0.263 0.000 0.790 153 E CB 2.005 31.782 29.700 0.128 0.000 1.155 153 E HN 0.073 nan 8.360 nan 0.000 0.402 154 T N 2.041 116.416 114.554 -0.298 0.000 2.899 154 T HA 0.456 4.805 4.350 -0.001 0.000 0.295 154 T C -0.921 173.656 174.700 -0.206 0.000 1.033 154 T CA -0.300 61.342 62.100 -0.763 0.000 1.084 154 T CB 0.133 68.293 68.868 -1.181 0.000 0.979 154 T HN 0.387 nan 8.240 nan 0.000 0.532 155 F N 0.329 120.099 119.950 -0.299 0.000 2.601 155 F HA 0.737 5.263 4.527 -0.001 0.000 0.309 155 F C 0.081 175.804 175.800 -0.128 0.000 1.089 155 F CA -0.174 57.728 58.000 -0.164 0.000 0.940 155 F CB 0.887 39.832 39.000 -0.092 0.000 1.273 155 F HN 1.048 nan 8.300 nan 0.000 0.450 156 G N 1.571 110.341 108.800 -0.051 0.000 2.728 156 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.294 156 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.294 156 G C -1.504 173.252 174.900 -0.240 0.000 1.342 156 G CA -0.609 44.411 45.100 -0.133 0.000 0.866 156 G HN 0.952 nan 8.290 nan 0.000 0.534 157 D N 1.320 121.541 120.400 -0.298 0.000 2.372 157 D HA 0.360 4.999 4.640 -0.001 0.000 0.243 157 D C 1.152 177.175 176.300 -0.462 0.000 1.121 157 D CA 0.251 54.042 54.000 -0.348 0.000 0.898 157 D CB 0.596 41.175 40.800 -0.368 0.000 1.202 157 D HN 0.487 nan 8.370 nan 0.000 0.428 158 E N 0.633 120.647 120.200 -0.310 0.000 2.418 158 E HA 0.099 4.448 4.350 -0.001 0.000 0.261 158 E C -0.374 176.072 176.600 -0.258 0.000 1.070 158 E CA 0.317 56.599 56.400 -0.197 0.000 0.931 158 E CB 0.530 30.177 29.700 -0.090 0.000 0.954 158 E HN 0.255 nan 8.360 nan 0.000 0.439 159 F N 0.494 120.427 119.950 -0.028 0.000 2.458 159 F HA 0.166 4.692 4.527 -0.001 0.000 0.330 159 F C 0.863 176.690 175.800 0.045 0.000 1.082 159 F CA -1.079 56.943 58.000 0.037 0.000 0.995 159 F CB 1.368 40.443 39.000 0.125 0.000 1.170 159 F HN 0.321 nan 8.300 nan 0.000 0.478 160 S N 0.374 116.201 115.700 0.212 0.000 2.563 160 S HA 0.248 4.717 4.470 -0.001 0.000 0.284 160 S C 0.838 175.519 174.600 0.134 0.000 1.331 160 S CA -0.183 58.095 58.200 0.131 0.000 1.047 160 S CB 1.093 64.347 63.200 0.091 0.000 0.859 160 S HN 0.938 nan 8.310 nan 0.000 0.514 161 G N 1.078 109.907 108.800 0.048 0.000 2.939 161 G HA2 0.145 4.104 3.960 -0.001 0.000 0.216 161 G HA3 0.145 4.104 3.960 -0.001 0.000 0.216 161 G C 0.327 175.178 174.900 -0.082 0.000 1.125 161 G CA -0.464 44.633 45.100 -0.005 0.000 0.766 161 G HN 0.793 nan 8.290 nan 0.000 0.541 162 M N 1.443 120.990 119.600 -0.088 0.000 2.284 162 M HA 0.346 4.826 4.480 -0.001 0.000 0.351 162 M C 1.234 177.408 176.300 -0.210 0.000 1.443 162 M CA 1.085 56.317 55.300 -0.114 0.000 1.031 162 M CB 0.412 32.986 32.600 -0.042 0.000 1.893 162 M HN 0.649 nan 8.290 nan 0.000 0.456 163 A N 4.000 126.681 122.820 -0.232 0.000 3.383 163 A HA -0.242 4.078 4.320 -0.001 0.000 0.264 163 A C 1.289 178.694 177.584 -0.299 0.000 1.154 163 A CA 1.760 53.539 52.037 -0.430 0.000 1.179 163 A CB -1.555 16.772 19.000 -1.123 0.000 1.133 163 A HN 0.959 nan 8.150 nan 0.000 0.933 164 R N -2.273 118.142 120.500 -0.141 0.000 2.279 164 R HA 0.380 4.720 4.340 -0.001 0.000 0.195 164 R C 0.391 176.685 176.300 -0.010 0.000 0.905 164 R CA 1.006 57.097 56.100 -0.015 0.000 1.044 164 R CB 0.974 31.316 30.300 0.071 0.000 1.056 164 R HN 0.853 nan 8.270 nan 0.000 0.535 165 C N 1.443 120.710 119.300 -0.056 0.000 2.891 165 C HA 0.472 4.931 4.460 -0.001 0.000 0.342 165 C C -2.608 172.322 174.990 -0.100 0.000 1.126 165 C CA -2.198 56.782 59.018 -0.065 0.000 1.322 165 C CB 1.990 29.681 27.740 -0.082 0.000 1.763 165 C HN 0.117 nan 8.230 nan 0.000 0.491 166 P HA 0.179 nan 4.420 nan 0.000 0.272 166 P C -0.223 176.982 177.300 -0.159 0.000 1.240 166 P CA 0.262 63.360 63.100 -0.003 0.000 0.791 166 P CB 0.640 32.359 31.700 0.030 0.000 0.978 167 Y N -1.479 118.662 120.300 -0.265 0.000 2.365 167 Y HA 0.029 4.578 4.550 -0.001 0.000 0.293 167 Y C 1.420 176.638 175.900 -1.137 0.000 1.119 167 Y CA 0.600 58.390 58.100 -0.517 0.000 1.203 167 Y CB 0.265 38.534 38.460 -0.318 0.000 1.026 167 Y HN 0.249 nan 8.280 nan 0.000 0.549 168 D N -0.103 119.820 120.400 -0.795 0.000 2.303 168 D HA 0.303 4.942 4.640 -0.001 0.000 0.236 168 D C 0.653 176.594 176.300 -0.599 0.000 1.068 168 D CA 0.029 53.462 54.000 -0.946 0.000 0.830 168 D CB 1.940 42.150 40.800 -0.984 0.000 1.109 168 D HN 0.165 nan 8.370 nan 0.000 0.496 169 A N 4.496 126.989 122.820 -0.544 0.000 2.070 169 A HA -0.154 4.166 4.320 -0.001 0.000 0.220 169 A C 1.792 179.211 177.584 -0.276 0.000 1.159 169 A CA 1.170 52.935 52.037 -0.453 0.000 0.656 169 A CB -0.180 18.249 19.000 -0.952 0.000 0.800 169 A HN 0.626 nan 8.150 nan 0.000 0.453 170 K N -0.484 119.770 120.400 -0.242 0.000 2.439 170 K HA -0.031 4.289 4.320 -0.001 0.000 0.197 170 K C -0.046 176.631 176.600 0.128 0.000 1.041 170 K CA 0.314 56.575 56.287 -0.043 0.000 0.970 170 K CB -0.141 32.366 32.500 0.013 0.000 0.773 170 K HN 0.726 nan 8.250 nan 0.000 0.479 171 H N -0.404 118.638 119.070 -0.047 0.000 2.562 171 H HA 0.314 4.869 4.556 -0.001 0.000 0.352 171 H C -0.275 175.016 175.328 -0.062 0.000 1.125 171 H CA -1.017 55.009 56.048 -0.037 0.000 1.379 171 H CB 1.182 30.921 29.762 -0.038 0.000 1.464 171 H HN 0.093 nan 8.280 nan 0.000 0.563 172 A N 3.276 126.067 122.820 -0.050 0.000 2.310 172 A HA 0.260 4.579 4.320 -0.001 0.000 0.299 172 A C -0.150 177.419 177.584 -0.025 0.000 1.147 172 A CA -0.710 51.247 52.037 -0.134 0.000 0.818 172 A CB 0.282 18.965 19.000 -0.529 0.000 1.096 172 A HN 0.899 nan 8.150 nan 0.000 0.495 173 N N 1.184 119.911 118.700 0.046 0.000 2.494 173 N HA 0.551 5.290 4.740 -0.001 0.000 0.270 173 N C -1.723 173.838 175.510 0.086 0.000 1.285 173 N CA -0.513 52.588 53.050 0.085 0.000 0.812 173 N CB 1.457 39.980 38.487 0.060 0.000 1.557 173 N HN 0.414 nan 8.380 nan 0.000 0.487 174 I N 0.267 120.875 120.570 0.063 0.000 2.509 174 I HA 0.694 4.864 4.170 -0.001 0.000 0.293 174 I C -0.514 175.647 176.117 0.073 0.000 1.020 174 I CA -0.721 60.633 61.300 0.090 0.000 1.088 174 I CB 1.914 40.004 38.000 0.149 0.000 1.267 174 I HN 0.849 nan 8.210 nan 0.000 0.430 175 A N 6.272 129.134 122.820 0.070 0.000 2.488 175 A HA 0.890 5.210 4.320 -0.001 0.000 0.298 175 A C -1.845 175.749 177.584 0.018 0.000 1.044 175 A CA -0.414 51.646 52.037 0.038 0.000 0.693 175 A CB 1.871 20.885 19.000 0.022 0.000 1.272 175 A HN 0.581 nan 8.150 nan 0.000 0.402 176 L N 1.423 122.633 121.223 -0.022 0.000 2.549 176 L HA 0.795 5.135 4.340 -0.001 0.000 0.259 176 L C -2.139 174.712 176.870 -0.031 0.000 0.934 176 L CA -0.297 54.545 54.840 0.002 0.000 0.865 176 L CB 1.368 43.437 42.059 0.017 0.000 1.352 176 L HN 0.573 nan 8.230 nan 0.000 0.410 177 F N 3.664 123.666 119.950 0.087 0.000 2.394 177 F HA 0.795 5.322 4.527 -0.001 0.000 0.340 177 F C 0.588 176.451 175.800 0.106 0.000 1.105 177 F CA 0.279 58.329 58.000 0.083 0.000 1.124 177 F CB 1.900 40.896 39.000 -0.005 0.000 1.145 177 F HN 0.668 nan 8.300 nan 0.000 0.505 178 A N 2.658 125.722 122.820 0.408 0.000 2.402 178 A HA 0.502 4.822 4.320 -0.001 0.000 0.291 178 A C -0.555 177.177 177.584 0.246 0.000 1.051 178 A CA -0.702 51.485 52.037 0.249 0.000 0.716 178 A CB 0.624 19.691 19.000 0.112 0.000 1.223 178 A HN 0.831 nan 8.150 nan 0.000 0.425 179 D N 1.833 122.315 120.400 0.137 0.000 2.708 179 D HA -0.219 4.421 4.640 -0.001 0.000 0.236 179 D C 1.249 177.600 176.300 0.084 0.000 1.146 179 D CA 2.568 56.621 54.000 0.088 0.000 0.662 179 D CB -1.015 39.835 40.800 0.083 0.000 1.059 179 D HN 2.062 nan 8.370 nan 0.000 0.428 180 G N -0.436 108.408 108.800 0.073 0.000 2.245 180 G HA2 -0.380 3.580 3.960 -0.001 0.000 0.264 180 G HA3 -0.380 3.580 3.960 -0.001 0.000 0.264 180 G C 0.369 175.376 174.900 0.179 0.000 0.985 180 G CA 0.975 46.087 45.100 0.019 0.000 0.625 180 G HN 0.480 nan 8.290 nan 0.000 0.536 181 K N -0.055 120.477 120.400 0.220 0.000 2.205 181 K HA 0.616 4.936 4.320 -0.001 0.000 0.279 181 K C -0.314 176.328 176.600 0.070 0.000 1.027 181 K CA -0.860 55.478 56.287 0.085 0.000 0.932 181 K CB 1.911 34.364 32.500 -0.078 0.000 1.032 181 K HN 0.140 nan 8.250 nan 0.000 0.466 182 L N 4.139 125.227 121.223 -0.225 0.000 2.257 182 L HA 0.273 4.613 4.340 -0.001 0.000 0.290 182 L C -1.473 175.190 176.870 -0.345 0.000 1.044 182 L CA -0.111 54.428 54.840 -0.501 0.000 0.810 182 L CB 0.030 41.654 42.059 -0.725 0.000 1.193 182 L HN 0.419 nan 8.230 nan 0.000 0.425 183 Y N 3.679 123.926 120.300 -0.089 0.000 2.326 183 Y HA 0.617 5.166 4.550 -0.001 0.000 0.337 183 Y C 0.622 176.586 175.900 0.107 0.000 1.023 183 Y CA -0.178 57.996 58.100 0.122 0.000 1.143 183 Y CB 1.556 40.139 38.460 0.206 0.000 1.183 183 Y HN 0.712 nan 8.280 nan 0.000 0.485 184 S N 1.506 117.371 115.700 0.275 0.000 2.588 184 S HA 0.959 5.428 4.470 -0.001 0.000 0.275 184 S C -1.170 173.435 174.600 0.008 0.000 1.130 184 S CA -0.950 57.336 58.200 0.144 0.000 0.855 184 S CB 2.084 65.338 63.200 0.090 0.000 1.116 184 S HN 0.886 nan 8.310 nan 0.000 0.472 185 A N 0.883 123.599 122.820 -0.173 0.000 2.429 185 A HA 0.904 5.224 4.320 -0.001 0.000 0.289 185 A C -0.239 177.100 177.584 -0.408 0.000 1.043 185 A CA -0.249 51.395 52.037 -0.655 0.000 0.722 185 A CB 1.351 19.518 19.000 -1.388 0.000 1.243 185 A HN 1.453 nan 8.150 nan 0.000 0.415 186 T N 0.029 114.473 114.554 -0.183 0.000 2.676 186 T HA 0.547 4.897 4.350 -0.001 0.000 0.299 186 T C -1.410 173.393 174.700 0.173 0.000 1.657 186 T CA 0.425 62.595 62.100 0.116 0.000 0.985 186 T CB 0.452 69.353 68.868 0.056 0.000 1.926 186 T HN 1.908 nan 8.240 nan 0.000 0.456 187 V N 1.242 121.256 119.914 0.166 0.000 2.630 187 V HA 0.724 4.843 4.120 -0.001 0.000 0.305 187 V C 1.513 177.698 176.094 0.151 0.000 1.046 187 V CA 0.365 62.750 62.300 0.141 0.000 0.934 187 V CB 0.873 32.775 31.823 0.132 0.000 1.003 187 V HN 1.154 nan 8.190 nan 0.000 0.451 188 T N -1.039 113.569 114.554 0.091 0.000 3.067 188 T HA 0.032 4.381 4.350 -0.001 0.000 0.261 188 T C 0.396 175.239 174.700 0.240 0.000 1.110 188 T CA 0.787 62.947 62.100 0.100 0.000 1.113 188 T CB -0.448 68.412 68.868 -0.014 0.000 0.917 188 T HN 0.964 nan 8.240 nan 0.000 0.499 189 D N -0.330 120.131 120.400 0.102 0.000 2.342 189 D HA 0.197 4.837 4.640 -0.001 0.000 0.243 189 D C 0.644 176.572 176.300 -0.620 0.000 1.019 189 D CA -1.315 52.634 54.000 -0.086 0.000 0.864 189 D CB 1.094 41.888 40.800 -0.010 0.000 1.315 189 D HN 0.010 nan 8.370 nan 0.000 0.468 190 F N 1.041 120.408 119.950 -0.971 0.000 2.115 190 F HA -0.185 4.341 4.527 -0.001 0.000 0.300 190 F C 1.622 177.219 175.800 -0.338 0.000 1.092 190 F CA 1.544 59.033 58.000 -0.852 0.000 1.245 190 F CB -0.023 38.782 39.000 -0.324 0.000 0.995 190 F HN 0.334 nan 8.300 nan 0.000 0.481 191 L N 0.124 121.308 121.223 -0.065 0.000 2.610 191 L HA 0.150 4.489 4.340 -0.001 0.000 0.232 191 L C 1.576 178.411 176.870 -0.058 0.000 1.149 191 L CA 0.544 55.360 54.840 -0.040 0.000 0.872 191 L CB -0.802 41.292 42.059 0.059 0.000 0.992 191 L HN 0.322 nan 8.230 nan 0.000 0.447 192 A N -0.414 122.360 122.820 -0.077 0.000 2.905 192 A HA -0.218 4.101 4.320 -0.001 0.000 0.260 192 A C 1.207 178.794 177.584 0.005 0.000 1.398 192 A CA 0.911 52.949 52.037 0.002 0.000 0.840 192 A CB -1.871 17.191 19.000 0.104 0.000 1.059 192 A HN 0.287 nan 8.150 nan 0.000 0.647 193 I N -0.130 120.451 120.570 0.018 0.000 2.867 193 I HA 0.064 4.233 4.170 -0.001 0.000 0.265 193 I C 1.077 177.239 176.117 0.075 0.000 1.162 193 I CA 1.490 62.815 61.300 0.041 0.000 1.471 193 I CB -0.584 37.450 38.000 0.057 0.000 1.123 193 I HN 0.531 nan 8.210 nan 0.000 0.440 194 D N 2.153 122.597 120.400 0.073 0.000 2.557 194 D HA 0.364 5.003 4.640 -0.001 0.000 0.236 194 D C 0.155 176.489 176.300 0.055 0.000 1.154 194 D CA -0.200 53.839 54.000 0.065 0.000 0.985 194 D CB 0.247 41.058 40.800 0.019 0.000 1.010 194 D HN 0.141 nan 8.370 nan 0.000 0.516 195 A N 1.981 124.845 122.820 0.074 0.000 2.462 195 A HA 0.503 4.822 4.320 -0.001 0.000 0.243 195 A C -0.250 177.417 177.584 0.138 0.000 1.076 195 A CA -0.334 51.785 52.037 0.135 0.000 0.773 195 A CB 0.888 19.937 19.000 0.083 0.000 1.010 195 A HN 0.464 nan 8.150 nan 0.000 0.493 196 V N 3.823 123.832 119.914 0.159 0.000 2.932 196 V HA 0.536 4.656 4.120 -0.001 0.000 0.307 196 V C -1.006 175.004 176.094 -0.140 0.000 1.147 196 V CA -0.633 61.684 62.300 0.028 0.000 0.951 196 V CB 1.935 33.758 31.823 0.000 0.000 1.031 196 V HN 0.782 nan 8.190 nan 0.000 0.426 197 I N 6.171 126.635 120.570 -0.177 0.000 2.336 197 I HA 0.498 4.667 4.170 -0.001 0.000 0.292 197 I C -1.240 174.986 176.117 0.182 0.000 0.991 197 I CA -0.518 60.590 61.300 -0.320 0.000 1.227 197 I CB 1.538 39.092 38.000 -0.744 0.000 1.366 197 I HN 0.711 nan 8.210 nan 0.000 0.466 198 Y N 6.634 126.967 120.300 0.055 0.000 2.524 198 Y HA 0.611 5.160 4.550 -0.001 0.000 0.347 198 Y C -0.993 174.982 175.900 0.125 0.000 1.005 198 Y CA -0.943 57.208 58.100 0.085 0.000 1.025 198 Y CB 1.758 40.194 38.460 -0.040 0.000 1.275 198 Y HN 0.469 nan 8.280 nan 0.000 0.460 199 R N 3.184 123.345 120.500 -0.565 0.000 2.686 199 R HA 0.785 5.124 4.340 -0.001 0.000 0.283 199 R C -1.570 174.260 176.300 -0.783 0.000 0.978 199 R CA -0.347 55.403 56.100 -0.583 0.000 0.897 199 R CB 1.700 31.649 30.300 -0.585 0.000 1.192 199 R HN 0.895 nan 8.270 nan 0.000 0.457 200 S N 2.909 118.330 115.700 -0.465 0.000 2.643 200 S HA 0.615 5.084 4.470 -0.001 0.000 0.270 200 S C -0.566 173.923 174.600 -0.185 0.000 1.166 200 S CA -0.744 57.279 58.200 -0.295 0.000 0.815 200 S CB 0.989 64.150 63.200 -0.066 0.000 1.139 200 S HN 0.701 nan 8.310 nan 0.000 0.472 201 L N -0.523 120.645 121.223 -0.092 0.000 3.132 201 L HA -0.002 4.338 4.340 -0.001 0.000 0.337 201 L C 1.224 178.068 176.870 -0.044 0.000 1.073 201 L CA 0.682 55.502 54.840 -0.034 0.000 1.228 201 L CB -1.471 40.574 42.059 -0.022 0.000 1.124 201 L HN 2.228 nan 8.230 nan 0.000 0.475 202 G N -0.450 108.347 108.800 -0.006 0.000 2.179 202 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.257 202 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.257 202 G C 0.261 175.147 174.900 -0.023 0.000 1.010 202 G CA 0.703 45.797 45.100 -0.009 0.000 0.736 202 G HN 1.003 nan 8.290 nan 0.000 0.513 203 D N -1.200 119.187 120.400 -0.021 0.000 2.837 203 D HA -0.165 4.474 4.640 -0.001 0.000 0.230 203 D C 0.434 176.708 176.300 -0.044 0.000 1.152 203 D CA 1.717 55.701 54.000 -0.025 0.000 0.736 203 D CB -1.452 39.339 40.800 -0.016 0.000 1.084 203 D HN 0.695 nan 8.370 nan 0.000 0.429 204 S N -0.406 115.252 115.700 -0.070 0.000 2.599 204 S HA 0.619 5.089 4.470 -0.001 0.000 0.294 204 S C -2.334 172.186 174.600 -0.134 0.000 1.094 204 S CA -1.109 57.034 58.200 -0.095 0.000 0.931 204 S CB 2.688 65.826 63.200 -0.103 0.000 1.093 204 S HN -0.136 nan 8.310 nan 0.000 0.488 205 P HA 0.121 nan 4.420 nan 0.000 0.267 205 P C -0.260 176.873 177.300 -0.277 0.000 1.200 205 P CA -0.161 62.830 63.100 -0.183 0.000 0.772 205 P CB 0.043 31.635 31.700 -0.180 0.000 0.855 206 T N 0.893 115.272 114.554 -0.291 0.000 2.884 206 T HA 0.498 4.848 4.350 -0.001 0.000 0.298 206 T C -0.195 174.169 174.700 -0.560 0.000 0.998 206 T CA -0.543 61.282 62.100 -0.458 0.000 1.124 206 T CB -0.080 68.571 68.868 -0.362 0.000 0.931 206 T HN 0.149 nan 8.240 nan 0.000 0.531 207 L N 3.326 124.044 121.223 -0.841 0.000 2.354 207 L HA 0.768 5.107 4.340 -0.001 0.000 0.269 207 L C 0.200 176.497 176.870 -0.955 0.000 1.005 207 L CA -1.329 52.927 54.840 -0.974 0.000 0.819 207 L CB 2.168 43.350 42.059 -1.462 0.000 1.311 207 L HN 0.883 nan 8.230 nan 0.000 0.423 208 R N -0.675 119.449 120.500 -0.628 0.000 2.808 208 R HA 0.659 4.999 4.340 -0.001 0.000 0.272 208 R C -0.800 175.490 176.300 -0.017 0.000 0.995 208 R CA -0.805 55.186 56.100 -0.181 0.000 0.917 208 R CB 1.327 31.659 30.300 0.054 0.000 1.217 208 R HN 0.567 nan 8.270 nan 0.000 0.471 209 T N -0.656 114.031 114.554 0.221 0.000 2.900 209 T HA 0.182 4.531 4.350 -0.001 0.000 0.307 209 T C 0.599 175.110 174.700 -0.315 0.000 1.065 209 T CA -0.790 61.374 62.100 0.107 0.000 1.105 209 T CB 0.856 69.745 68.868 0.035 0.000 0.979 209 T HN 0.320 nan 8.240 nan 0.000 0.544 210 V N 2.971 122.338 119.914 -0.913 0.000 2.450 210 V HA 0.105 4.225 4.120 -0.001 0.000 0.281 210 V C 1.038 176.856 176.094 -0.458 0.000 1.019 210 V CA -0.323 61.489 62.300 -0.814 0.000 1.062 210 V CB -0.038 31.052 31.823 -1.222 0.000 0.979 210 V HN 0.885 nan 8.190 nan 0.000 0.477 211 K N 4.622 124.824 120.400 -0.330 0.000 2.489 211 K HA -0.031 4.289 4.320 -0.001 0.000 0.278 211 K C 0.642 177.112 176.600 -0.218 0.000 1.000 211 K CA 0.044 56.141 56.287 -0.316 0.000 1.012 211 K CB -0.007 32.245 32.500 -0.414 0.000 0.903 211 K HN 0.861 nan 8.250 nan 0.000 0.485 212 H N 0.426 119.452 119.070 -0.073 0.000 2.958 212 H HA -0.199 4.356 4.556 -0.001 0.000 0.274 212 H C -0.968 174.336 175.328 -0.039 0.000 1.184 212 H CA 1.147 57.168 56.048 -0.045 0.000 1.143 212 H CB -1.418 28.319 29.762 -0.041 0.000 1.297 212 H HN 0.644 nan 8.280 nan 0.000 0.356 213 D N -0.096 120.332 120.400 0.047 0.000 2.460 213 D HA 0.331 4.970 4.640 -0.001 0.000 0.232 213 D C 0.811 177.207 176.300 0.161 0.000 1.079 213 D CA -0.168 53.861 54.000 0.048 0.000 0.864 213 D CB 0.791 41.512 40.800 -0.131 0.000 1.048 213 D HN 0.072 nan 8.370 nan 0.000 0.523 214 S N 2.694 118.486 115.700 0.155 0.000 2.442 214 S HA -0.122 4.348 4.470 -0.001 0.000 0.236 214 S C 1.599 176.332 174.600 0.222 0.000 1.007 214 S CA 0.910 59.208 58.200 0.163 0.000 0.965 214 S CB 0.211 63.481 63.200 0.116 0.000 0.773 214 S HN 0.501 nan 8.310 nan 0.000 0.504 215 K N -0.437 120.138 120.400 0.292 0.000 2.228 215 K HA -0.037 4.283 4.320 -0.001 0.000 0.202 215 K C 1.541 178.388 176.600 0.412 0.000 1.051 215 K CA 0.874 57.355 56.287 0.324 0.000 0.960 215 K CB -0.061 32.638 32.500 0.333 0.000 0.743 215 K HN 0.364 nan 8.250 nan 0.000 0.458 216 W N 0.886 122.303 121.300 0.194 0.000 2.488 216 W HA 0.188 4.847 4.660 -0.001 0.000 0.304 216 W C 0.413 177.094 176.519 0.269 0.000 1.175 216 W CA 0.352 57.865 57.345 0.280 0.000 1.365 216 W CB 0.083 29.599 29.460 0.093 0.000 1.131 216 W HN -0.162 nan 8.180 nan 0.000 0.520 217 L N 0.478 121.929 121.223 0.380 0.000 2.470 217 L HA 0.362 4.701 4.340 -0.001 0.000 0.268 217 L C -0.447 176.526 176.870 0.173 0.000 0.964 217 L CA -0.781 54.207 54.840 0.246 0.000 0.839 217 L CB 2.279 44.419 42.059 0.134 0.000 1.276 217 L HN -0.365 nan 8.230 nan 0.000 0.403 218 K N 3.657 124.147 120.400 0.150 0.000 2.530 218 K HA 0.306 4.625 4.320 -0.001 0.000 0.230 218 K C -0.595 176.031 176.600 0.044 0.000 1.002 218 K CA -0.349 55.989 56.287 0.086 0.000 1.014 218 K CB 0.621 33.165 32.500 0.072 0.000 1.286 218 K HN 0.586 nan 8.250 nan 0.000 0.480 219 E N 1.944 122.151 120.200 0.012 0.000 2.210 219 E HA -0.175 4.174 4.350 -0.001 0.000 0.201 219 E C -2.321 174.244 176.600 -0.059 0.000 1.339 219 E CA -0.042 56.340 56.400 -0.030 0.000 0.699 219 E CB -0.980 28.705 29.700 -0.024 0.000 1.126 219 E HN 0.504 nan 8.360 nan 0.000 0.355 220 P HA 0.028 nan 4.420 nan 0.000 0.274 220 P C -0.985 176.087 177.300 -0.380 0.000 1.237 220 P CA 0.095 63.041 63.100 -0.257 0.000 0.793 220 P CB 0.489 31.777 31.700 -0.687 0.000 0.977 221 Y N 1.460 121.553 120.300 -0.344 0.000 2.332 221 Y HA 0.453 5.003 4.550 -0.001 0.000 0.326 221 Y C -1.100 174.733 175.900 -0.111 0.000 0.978 221 Y CA -1.078 56.863 58.100 -0.264 0.000 1.205 221 Y CB 0.652 39.063 38.460 -0.081 0.000 1.131 221 Y HN 0.072 nan 8.280 nan 0.000 0.462 222 F N 5.473 125.369 119.950 -0.089 0.000 2.410 222 F HA 0.354 4.881 4.527 -0.001 0.000 0.348 222 F C 0.475 176.328 175.800 0.088 0.000 1.106 222 F CA -0.273 57.773 58.000 0.076 0.000 1.163 222 F CB 1.173 40.174 39.000 0.000 0.000 1.129 222 F HN 0.372 nan 8.300 nan 0.000 0.516 223 V N 0.513 120.699 119.914 0.454 0.000 3.090 223 V HA 0.191 4.311 4.120 -0.001 0.000 0.237 223 V C -0.368 175.889 176.094 0.271 0.000 1.209 223 V CA 0.270 62.768 62.300 0.330 0.000 1.209 223 V CB 0.575 32.587 31.823 0.315 0.000 0.971 223 V HN 0.715 nan 8.190 nan 0.000 0.477 224 Q N -0.859 119.153 119.800 0.353 0.000 2.574 224 Q HA 0.670 5.010 4.340 -0.001 0.000 0.265 224 Q C -1.569 174.646 176.000 0.359 0.000 0.975 224 Q CA 0.383 56.352 55.803 0.277 0.000 0.923 224 Q CB 1.928 30.756 28.738 0.149 0.000 1.518 224 Q HN 0.394 nan 8.270 nan 0.000 0.401 225 A N 1.657 124.581 122.820 0.173 0.000 2.401 225 A HA 0.928 5.248 4.320 -0.001 0.000 0.310 225 A C -1.026 176.568 177.584 0.017 0.000 1.075 225 A CA -0.061 51.965 52.037 -0.017 0.000 0.746 225 A CB 1.456 20.189 19.000 -0.445 0.000 1.277 225 A HN 1.257 nan 8.150 nan 0.000 0.425 226 V N -0.918 119.017 119.914 0.034 0.000 2.962 226 V HA 0.759 4.878 4.120 -0.001 0.000 0.313 226 V C -1.175 174.940 176.094 0.035 0.000 1.099 226 V CA -0.804 61.545 62.300 0.083 0.000 0.971 226 V CB 2.028 33.969 31.823 0.197 0.000 1.028 226 V HN 0.825 nan 8.190 nan 0.000 0.430 227 D N 2.077 122.512 120.400 0.058 0.000 2.329 227 D HA 0.429 5.069 4.640 -0.001 0.000 0.232 227 D C -1.600 174.833 176.300 0.222 0.000 1.088 227 D CA 0.000 54.023 54.000 0.039 0.000 0.835 227 D CB 1.098 41.896 40.800 -0.003 0.000 1.078 227 D HN 0.735 nan 8.370 nan 0.000 0.495 228 Y N 3.879 124.252 120.300 0.122 0.000 2.361 228 Y HA 0.459 5.009 4.550 -0.001 0.000 0.328 228 Y C 0.752 176.788 175.900 0.227 0.000 1.044 228 Y CA 0.409 58.630 58.100 0.201 0.000 1.085 228 Y CB 1.401 40.038 38.460 0.295 0.000 1.194 228 Y HN 0.658 nan 8.280 nan 0.000 0.438 229 G N 4.572 113.151 108.800 -0.368 0.000 2.622 229 G HA2 -0.369 3.590 3.960 -0.001 0.000 0.307 229 G HA3 -0.369 3.590 3.960 -0.001 0.000 0.307 229 G C 0.455 175.291 174.900 -0.106 0.000 1.226 229 G CA 0.816 45.780 45.100 -0.225 0.000 0.997 229 G HN 0.616 nan 8.290 nan 0.000 0.551 230 D N 0.545 120.863 120.400 -0.136 0.000 2.340 230 D HA 0.295 4.934 4.640 -0.001 0.000 0.220 230 D C 0.264 176.192 176.300 -0.620 0.000 1.039 230 D CA 0.734 54.483 54.000 -0.417 0.000 0.866 230 D CB 0.125 40.553 40.800 -0.620 0.000 0.913 230 D HN 0.362 nan 8.370 nan 0.000 0.523 231 Y N -0.206 120.013 120.300 -0.135 0.000 2.570 231 Y HA 0.397 4.946 4.550 -0.001 0.000 0.345 231 Y C 0.282 175.935 175.900 -0.413 0.000 1.014 231 Y CA -1.275 56.618 58.100 -0.344 0.000 1.063 231 Y CB 1.615 39.666 38.460 -0.681 0.000 1.272 231 Y HN -0.296 nan 8.280 nan 0.000 0.477 232 I N 2.154 122.500 120.570 -0.373 0.000 2.359 232 I HA 0.233 4.402 4.170 -0.001 0.000 0.294 232 I C -0.981 174.756 176.117 -0.634 0.000 0.987 232 I CA -1.449 59.534 61.300 -0.529 0.000 1.225 232 I CB 0.510 38.029 38.000 -0.802 0.000 1.366 232 I HN 0.537 nan 8.210 nan 0.000 0.466 233 Y N 5.467 125.584 120.300 -0.306 0.000 2.352 233 Y HA 0.498 5.048 4.550 -0.001 0.000 0.339 233 Y C -0.304 175.316 175.900 -0.466 0.000 0.992 233 Y CA -0.490 57.426 58.100 -0.307 0.000 1.100 233 Y CB 1.466 39.782 38.460 -0.239 0.000 1.192 233 Y HN 0.281 nan 8.280 nan 0.000 0.458 234 F N 3.225 123.136 119.950 -0.067 0.000 2.443 234 F HA 0.547 5.073 4.527 -0.001 0.000 0.335 234 F C -0.802 174.982 175.800 -0.026 0.000 1.104 234 F CA -0.930 57.123 58.000 0.088 0.000 1.013 234 F CB 0.948 40.063 39.000 0.192 0.000 1.136 234 F HN 0.250 nan 8.300 nan 0.000 0.470 235 F N 3.896 124.131 119.950 0.474 0.000 2.469 235 F HA 0.692 5.219 4.527 -0.001 0.000 0.332 235 F C -0.348 175.761 175.800 0.515 0.000 1.103 235 F CA -1.010 57.187 58.000 0.328 0.000 0.979 235 F CB 1.449 40.527 39.000 0.129 0.000 1.137 235 F HN 0.385 nan 8.300 nan 0.000 0.463 236 F N 0.304 120.470 119.950 0.359 0.000 2.858 236 F HA 0.709 5.235 4.527 -0.001 0.000 0.319 236 F C -1.721 174.202 175.800 0.204 0.000 1.166 236 F CA -1.734 56.448 58.000 0.302 0.000 0.899 236 F CB 1.395 40.614 39.000 0.365 0.000 1.332 236 F HN 0.451 nan 8.300 nan 0.000 0.461 237 R N 0.860 121.553 120.500 0.322 0.000 2.854 237 R HA 0.879 5.218 4.340 -0.001 0.000 0.271 237 R C -1.632 174.808 176.300 0.234 0.000 0.996 237 R CA -0.669 55.522 56.100 0.151 0.000 0.961 237 R CB 2.733 33.095 30.300 0.102 0.000 1.182 237 R HN 0.954 nan 8.270 nan 0.000 0.479 238 E N 1.336 121.617 120.200 0.135 0.000 2.429 238 E HA 0.282 4.632 4.350 -0.001 0.000 0.280 238 E C -0.892 175.718 176.600 0.017 0.000 1.068 238 E CA -1.051 55.423 56.400 0.124 0.000 0.837 238 E CB 1.061 30.916 29.700 0.258 0.000 1.357 238 E HN 0.338 nan 8.360 nan 0.000 0.455 239 I N 1.348 121.906 120.570 -0.020 0.000 2.618 239 I HA 0.181 4.351 4.170 -0.001 0.000 0.284 239 I C 0.401 176.437 176.117 -0.136 0.000 1.146 239 I CA 0.071 61.313 61.300 -0.096 0.000 1.425 239 I CB 0.342 38.300 38.000 -0.070 0.000 1.383 239 I HN 0.686 nan 8.210 nan 0.000 0.562 240 A N 6.511 129.151 122.820 -0.300 0.000 2.309 240 A HA 0.384 4.704 4.320 -0.001 0.000 0.290 240 A C 1.100 178.502 177.584 -0.303 0.000 1.206 240 A CA -0.567 51.217 52.037 -0.423 0.000 0.850 240 A CB 0.706 19.033 19.000 -1.122 0.000 1.118 240 A HN 0.729 nan 8.150 nan 0.000 0.523 241 V N 0.907 120.658 119.914 -0.271 0.000 2.809 241 V HA -0.102 4.017 4.120 -0.001 0.000 0.256 241 V C 1.267 177.114 176.094 -0.411 0.000 1.080 241 V CA 2.008 64.172 62.300 -0.227 0.000 1.102 241 V CB -1.085 30.640 31.823 -0.162 0.000 0.705 241 V HN 0.794 nan 8.190 nan 0.000 0.475 242 E N -0.606 119.210 120.200 -0.640 0.000 2.515 242 E HA -0.034 4.316 4.350 -0.001 0.000 0.201 242 E C 0.970 177.398 176.600 -0.286 0.000 1.071 242 E CA 0.938 56.959 56.400 -0.631 0.000 0.880 242 E CB -0.331 29.136 29.700 -0.389 0.000 0.828 242 E HN 0.847 nan 8.360 nan 0.000 0.540 243 Y N -0.151 119.985 120.300 -0.274 0.000 2.675 243 Y HA 0.185 4.734 4.550 -0.001 0.000 0.248 243 Y C 0.320 176.173 175.900 -0.079 0.000 1.161 243 Y CA -0.712 57.279 58.100 -0.182 0.000 1.203 243 Y CB 0.366 38.637 38.460 -0.314 0.000 1.262 243 Y HN -0.066 nan 8.280 nan 0.000 0.544 248 K N 1.439 121.789 120.400 -0.083 0.000 2.626 248 K HA 0.637 4.957 4.320 -0.001 0.000 0.223 248 K C -1.411 175.061 176.600 -0.214 0.000 0.992 248 K CA -0.276 55.937 56.287 -0.123 0.000 1.024 248 K CB 1.661 34.110 32.500 -0.085 0.000 1.225 248 K HN 0.069 nan 8.250 nan 0.000 0.498 249 V N 3.812 123.522 119.914 -0.339 0.000 2.495 249 V HA 0.374 4.493 4.120 -0.001 0.000 0.298 249 V C -0.212 175.635 176.094 -0.410 0.000 1.031 249 V CA -1.031 60.979 62.300 -0.484 0.000 0.871 249 V CB 1.790 33.015 31.823 -0.996 0.000 0.988 249 V HN 0.371 nan 8.190 nan 0.000 0.432 250 V N 5.301 125.061 119.914 -0.257 0.000 2.461 250 V HA 0.420 4.539 4.120 -0.001 0.000 0.275 250 V C -0.357 175.775 176.094 0.063 0.000 1.047 250 V CA -0.191 62.030 62.300 -0.132 0.000 0.955 250 V CB 0.912 32.668 31.823 -0.112 0.000 0.988 250 V HN 0.555 nan 8.190 nan 0.000 0.471 251 F N 6.190 126.064 119.950 -0.126 0.000 2.492 251 F HA 0.625 5.152 4.527 -0.001 0.000 0.327 251 F C -2.119 173.632 175.800 -0.081 0.000 1.079 251 F CA -3.157 54.774 58.000 -0.116 0.000 0.967 251 F CB 2.156 41.072 39.000 -0.139 0.000 1.169 251 F HN 0.294 nan 8.300 nan 0.000 0.472 252 P HA 0.346 nan 4.420 nan 0.000 0.284 252 P C -0.740 176.501 177.300 -0.098 0.000 1.253 252 P CA -0.468 62.671 63.100 0.065 0.000 0.800 252 P CB 1.560 33.443 31.700 0.305 0.000 0.961 253 R N 1.213 121.539 120.500 -0.291 0.000 2.795 253 R HA 0.674 5.013 4.340 -0.001 0.000 0.275 253 R C -1.096 174.931 176.300 -0.454 0.000 0.981 253 R CA -1.136 54.662 56.100 -0.502 0.000 0.917 253 R CB 2.309 31.981 30.300 -1.048 0.000 1.202 253 R HN 0.344 nan 8.270 nan 0.000 0.469 254 V N 0.520 120.225 119.914 -0.348 0.000 2.680 254 V HA 0.865 4.985 4.120 -0.001 0.000 0.309 254 V C -1.110 174.960 176.094 -0.041 0.000 1.052 254 V CA -0.532 61.552 62.300 -0.360 0.000 0.908 254 V CB 1.803 33.320 31.823 -0.511 0.000 1.001 254 V HN 0.930 nan 8.190 nan 0.000 0.431 255 A N 5.452 128.321 122.820 0.082 0.000 2.401 255 A HA 0.857 5.177 4.320 -0.001 0.000 0.310 255 A C -0.797 176.736 177.584 -0.085 0.000 1.075 255 A CA -0.764 51.298 52.037 0.043 0.000 0.746 255 A CB 1.848 20.911 19.000 0.105 0.000 1.277 255 A HN 1.072 nan 8.150 nan 0.000 0.425 256 Q N 0.215 119.667 119.800 -0.580 0.000 2.235 256 Q HA 0.754 5.093 4.340 -0.001 0.000 0.256 256 Q C -0.575 175.181 176.000 -0.406 0.000 0.951 256 Q CA -0.846 54.538 55.803 -0.698 0.000 0.890 256 Q CB 1.877 29.915 28.738 -1.166 0.000 1.279 256 Q HN 1.137 nan 8.270 nan 0.000 0.444 257 V N -1.696 118.066 119.914 -0.253 0.000 2.962 257 V HA 0.587 4.706 4.120 -0.001 0.000 0.313 257 V C -0.461 175.669 176.094 0.060 0.000 1.099 257 V CA -1.148 61.075 62.300 -0.129 0.000 0.971 257 V CB 1.494 33.051 31.823 -0.443 0.000 1.028 257 V HN 1.062 nan 8.190 nan 0.000 0.430 258 c N 3.280 121.976 118.600 0.159 0.000 2.585 258 c HA 0.290 4.859 4.570 -0.001 0.000 0.406 258 c C 2.023 176.188 174.090 0.124 0.000 1.312 258 c CA -0.058 56.301 56.329 0.049 0.000 1.924 258 c CB -0.052 42.508 42.510 0.084 0.000 2.578 258 c HN 1.103 nan 8.230 nan 0.000 0.580 259 K N 2.218 122.618 120.400 0.000 0.000 2.152 259 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 259 K C 1.536 178.222 176.600 0.143 0.000 1.048 259 K CA 1.651 58.011 56.287 0.122 0.000 0.933 259 K CB -0.006 32.504 32.500 0.016 0.000 0.721 259 K HN 0.793 nan 8.250 nan 0.000 0.447 260 N N 0.198 118.936 118.700 0.063 0.000 2.268 260 N HA -0.071 4.668 4.740 -0.001 0.000 0.204 260 N C -0.421 175.118 175.510 0.048 0.000 1.124 260 N CA 0.065 53.141 53.050 0.043 0.000 0.838 260 N CB -0.008 38.484 38.487 0.008 0.000 0.994 260 N HN -0.049 nan 8.380 nan 0.000 0.489 261 D N 0.898 121.368 120.400 0.117 0.000 2.493 261 D HA -0.053 4.587 4.640 -0.001 0.000 0.240 261 D C 0.542 176.836 176.300 -0.010 0.000 1.142 261 D CA 0.276 54.342 54.000 0.110 0.000 0.872 261 D CB 0.723 41.708 40.800 0.308 0.000 1.173 261 D HN 0.054 nan 8.370 nan 0.000 0.467 262 M N 1.966 121.521 119.600 -0.076 0.000 2.347 262 M HA 0.235 4.714 4.480 -0.001 0.000 0.302 262 M C 0.839 177.054 176.300 -0.141 0.000 1.051 262 M CA -0.056 55.172 55.300 -0.121 0.000 0.988 262 M CB -0.095 32.432 32.600 -0.121 0.000 1.475 262 M HN 0.594 nan 8.290 nan 0.000 0.530 263 G N 0.254 108.981 108.800 -0.121 0.000 2.710 263 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.668 263 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.668 263 G C -0.097 174.763 174.900 -0.067 0.000 1.320 263 G CA -0.687 44.350 45.100 -0.105 0.000 0.860 263 G HN 0.518 nan 8.290 nan 0.000 0.538 264 G N -0.543 108.245 108.800 -0.021 0.000 2.535 264 G HA2 0.773 4.732 3.960 -0.001 0.000 0.282 264 G HA3 0.773 4.732 3.960 -0.001 0.000 0.282 264 G C 0.977 175.869 174.900 -0.013 0.000 1.350 264 G CA 1.101 46.210 45.100 0.015 0.000 1.039 264 G HN 2.192 nan 8.290 nan 0.000 0.509 265 S N -1.675 114.037 115.700 0.019 0.000 2.661 265 S HA 0.133 4.602 4.470 -0.001 0.000 0.265 265 S C 1.204 175.808 174.600 0.007 0.000 1.225 265 S CA -0.162 58.046 58.200 0.013 0.000 0.986 265 S CB 1.060 64.285 63.200 0.042 0.000 1.008 265 S HN 0.606 nan 8.310 nan 0.000 0.565 266 Q N -0.136 119.667 119.800 0.006 0.000 2.291 266 Q HA -0.049 4.290 4.340 -0.001 0.000 0.206 266 Q C 2.166 178.172 176.000 0.009 0.000 0.976 266 Q CA 1.269 57.073 55.803 0.002 0.000 0.875 266 Q CB -0.166 28.573 28.738 0.002 0.000 0.927 266 Q HN 0.606 nan 8.270 nan 0.000 0.450 267 R N -0.873 119.641 120.500 0.022 0.000 2.206 267 R HA 0.148 4.487 4.340 -0.001 0.000 0.198 267 R C -0.209 176.112 176.300 0.035 0.000 0.986 267 R CA 0.282 56.399 56.100 0.028 0.000 1.029 267 R CB 1.084 31.406 30.300 0.036 0.000 0.966 267 R HN -0.088 nan 8.270 nan 0.000 0.487 268 V N 1.065 121.007 119.914 0.046 0.000 2.668 268 V HA 0.171 4.290 4.120 -0.001 0.000 0.304 268 V C 0.073 176.209 176.094 0.070 0.000 1.071 268 V CA -0.863 61.476 62.300 0.064 0.000 0.894 268 V CB 2.090 33.968 31.823 0.093 0.000 1.008 268 V HN 0.254 nan 8.190 nan 0.000 0.425 269 L N 1.476 122.738 121.223 0.064 0.000 3.843 269 L HA -0.164 4.176 4.340 -0.001 0.000 0.411 269 L C 0.883 177.764 176.870 0.019 0.000 1.205 269 L CA 0.680 55.560 54.840 0.067 0.000 0.945 269 L CB -0.680 41.482 42.059 0.172 0.000 1.929 269 L HN 0.912 nan 8.230 nan 0.000 0.934 270 E N 1.686 121.880 120.200 -0.009 0.000 2.480 270 E HA 0.006 4.355 4.350 -0.001 0.000 0.258 270 E C 0.880 177.436 176.600 -0.075 0.000 0.984 270 E CA 0.439 56.816 56.400 -0.039 0.000 0.930 270 E CB 0.326 30.004 29.700 -0.035 0.000 0.936 270 E HN 0.245 nan 8.360 nan 0.000 0.466 271 K N 1.345 121.682 120.400 -0.105 0.000 3.472 271 K HA -0.204 4.115 4.320 -0.001 0.000 0.315 271 K C -0.354 176.119 176.600 -0.212 0.000 1.320 271 K CA 0.993 57.185 56.287 -0.158 0.000 0.962 271 K CB -0.928 31.493 32.500 -0.131 0.000 1.251 271 K HN 0.596 nan 8.250 nan 0.000 0.443 272 Q N -0.328 119.379 119.800 -0.154 0.000 2.359 272 Q HA 0.303 4.643 4.340 -0.001 0.000 0.275 272 Q C -0.143 175.847 176.000 -0.017 0.000 1.082 272 Q CA -0.719 55.002 55.803 -0.138 0.000 0.849 272 Q CB 0.568 29.259 28.738 -0.078 0.000 1.377 272 Q HN 0.114 nan 8.270 nan 0.000 0.452 273 W N 1.317 122.723 121.300 0.178 0.000 2.293 273 W HA 0.007 4.667 4.660 -0.001 0.000 0.342 273 W C 1.375 178.082 176.519 0.312 0.000 1.274 273 W CA 0.785 58.276 57.345 0.245 0.000 1.290 273 W CB 0.418 30.069 29.460 0.318 0.000 1.176 273 W HN 0.683 nan 8.180 nan 0.000 0.570 274 T N -2.770 112.081 114.554 0.496 0.000 3.084 274 T HA 0.095 4.445 4.350 -0.001 0.000 0.270 274 T C 0.748 175.680 174.700 0.388 0.000 1.008 274 T CA 0.189 62.536 62.100 0.412 0.000 0.900 274 T CB -0.225 68.847 68.868 0.340 0.000 1.084 274 T HN 0.372 nan 8.240 nan 0.000 0.538 275 S N -0.041 115.893 115.700 0.389 0.000 2.847 275 S HA 0.377 4.846 4.470 -0.001 0.000 0.254 275 S C -0.236 174.429 174.600 0.109 0.000 1.039 275 S CA -0.762 57.590 58.200 0.254 0.000 1.113 275 S CB -0.618 62.743 63.200 0.269 0.000 1.092 275 S HN 0.376 nan 8.310 nan 0.000 0.620 276 F N 3.288 123.198 119.950 -0.068 0.000 2.471 276 F HA 0.652 5.178 4.527 -0.001 0.000 0.365 276 F C -0.579 175.044 175.800 -0.295 0.000 1.095 276 F CA -0.710 57.109 58.000 -0.302 0.000 1.174 276 F CB 0.161 38.902 39.000 -0.432 0.000 1.105 276 F HN 0.109 nan 8.300 nan 0.000 0.535 277 L N 6.587 127.301 121.223 -0.848 0.000 2.393 277 L HA 0.561 4.900 4.340 -0.001 0.000 0.260 277 L C -1.156 175.369 176.870 -0.575 0.000 1.002 277 L CA -1.105 53.384 54.840 -0.585 0.000 0.818 277 L CB 2.616 44.559 42.059 -0.194 0.000 1.369 277 L HN 0.577 nan 8.230 nan 0.000 0.412 278 K N 1.240 121.528 120.400 -0.186 0.000 2.512 278 K HA 0.974 5.294 4.320 -0.001 0.000 0.263 278 K C -1.684 174.937 176.600 0.034 0.000 0.966 278 K CA -0.877 55.406 56.287 -0.008 0.000 0.851 278 K CB 2.860 35.280 32.500 -0.135 0.000 1.395 278 K HN 0.582 nan 8.250 nan 0.000 0.440 279 A N 1.384 124.155 122.820 -0.080 0.000 2.549 279 A HA 0.513 4.832 4.320 -0.001 0.000 0.297 279 A C -1.108 176.341 177.584 -0.226 0.000 1.061 279 A CA -0.929 50.977 52.037 -0.217 0.000 0.690 279 A CB 1.674 20.415 19.000 -0.431 0.000 1.287 279 A HN 0.829 nan 8.150 nan 0.000 0.402 280 R N 1.448 121.823 120.500 -0.208 0.000 2.585 280 R HA 0.256 4.596 4.340 -0.001 0.000 0.275 280 R C -1.035 175.105 176.300 -0.267 0.000 1.018 280 R CA 0.109 56.063 56.100 -0.243 0.000 1.072 280 R CB -0.010 30.101 30.300 -0.316 0.000 0.953 280 R HN 0.628 nan 8.270 nan 0.000 0.419 281 L N 4.015 125.097 121.223 -0.236 0.000 2.305 281 L HA 0.186 4.526 4.340 -0.001 0.000 0.281 281 L C 0.379 177.154 176.870 -0.158 0.000 1.085 281 L CA -0.517 54.195 54.840 -0.214 0.000 0.813 281 L CB 1.053 43.026 42.059 -0.144 0.000 1.157 281 L HN 0.609 nan 8.230 nan 0.000 0.436 282 N N 2.979 121.644 118.700 -0.059 0.000 2.462 282 N HA 0.127 4.866 4.740 -0.001 0.000 0.242 282 N C -1.376 174.141 175.510 0.012 0.000 1.010 282 N CA -0.203 52.845 53.050 -0.003 0.000 0.939 282 N CB 1.106 39.598 38.487 0.007 0.000 1.127 282 N HN 0.556 nan 8.380 nan 0.000 0.509 283 c N 4.375 122.881 118.600 -0.156 0.000 2.362 283 c HA 0.678 5.247 4.570 -0.001 0.000 0.309 283 c C -0.265 173.739 174.090 -0.143 0.000 1.110 283 c CA -0.367 55.789 56.329 -0.287 0.000 1.485 283 c CB -1.659 40.314 42.510 -0.895 0.000 1.949 283 c HN 0.728 nan 8.230 nan 0.000 0.419 284 S N 3.814 119.431 115.700 -0.139 0.000 2.599 284 S HA 0.790 5.260 4.470 -0.001 0.000 0.287 284 S C -0.675 173.931 174.600 0.010 0.000 1.105 284 S CA -0.636 57.446 58.200 -0.196 0.000 0.899 284 S CB 1.369 64.146 63.200 -0.704 0.000 1.100 284 S HN 1.481 nan 8.310 nan 0.000 0.482 285 V N -0.634 119.367 119.914 0.145 0.000 2.364 285 V HA 0.638 4.757 4.120 -0.001 0.000 0.272 285 V C -2.649 173.516 176.094 0.118 0.000 1.036 285 V CA -2.321 60.084 62.300 0.173 0.000 0.880 285 V CB 0.454 32.486 31.823 0.348 0.000 0.991 285 V HN 0.816 nan 8.190 nan 0.000 0.460 286 P HA 0.456 nan 4.420 nan 0.000 0.267 286 P C 0.244 177.483 177.300 -0.102 0.000 1.209 286 P CA 0.800 63.911 63.100 0.019 0.000 0.763 286 P CB 1.227 32.946 31.700 0.033 0.000 0.816 287 G N 1.885 110.518 108.800 -0.278 0.000 2.634 287 G HA2 0.160 4.119 3.960 -0.001 0.000 0.309 287 G HA3 0.160 4.119 3.960 -0.001 0.000 0.309 287 G C -0.885 173.881 174.900 -0.224 0.000 1.299 287 G CA -0.540 44.452 45.100 -0.181 0.000 0.798 287 G HN 0.277 nan 8.290 nan 0.000 0.490 288 D N 0.948 121.277 120.400 -0.118 0.000 2.826 288 D HA 0.373 5.013 4.640 -0.001 0.000 0.247 288 D C 0.437 176.693 176.300 -0.073 0.000 1.238 288 D CA 1.394 55.342 54.000 -0.087 0.000 0.894 288 D CB 0.216 40.989 40.800 -0.046 0.000 1.100 288 D HN 0.589 nan 8.370 nan 0.000 0.453 289 S N 0.090 115.709 115.700 -0.135 0.000 3.148 289 S HA -0.106 4.363 4.470 -0.001 0.000 0.233 289 S C -0.840 173.726 174.600 -0.057 0.000 0.424 289 S CA -0.802 57.371 58.200 -0.045 0.000 0.704 289 S CB -1.004 62.212 63.200 0.027 0.000 0.704 289 S HN 0.321 nan 8.310 nan 0.000 0.709 290 H N 2.959 122.056 119.070 0.046 0.000 2.790 290 H HA 0.467 5.022 4.556 -0.001 0.000 0.358 290 H C -0.071 175.222 175.328 -0.058 0.000 1.103 290 H CA 0.947 56.946 56.048 -0.081 0.000 1.426 290 H CB 0.407 30.002 29.762 -0.278 0.000 1.424 290 H HN 0.475 nan 8.280 nan 0.000 0.599 291 F N 3.643 123.503 119.950 -0.150 0.000 2.402 291 F HA 0.315 4.841 4.527 -0.001 0.000 0.355 291 F C -1.376 174.240 175.800 -0.306 0.000 1.123 291 F CA -0.821 57.087 58.000 -0.153 0.000 1.021 291 F CB 0.265 39.191 39.000 -0.124 0.000 1.160 291 F HN 0.427 nan 8.300 nan 0.000 0.451 292 Y N 5.423 125.265 120.300 -0.762 0.000 2.342 292 Y HA 0.420 4.969 4.550 -0.001 0.000 0.334 292 Y C -0.728 174.660 175.900 -0.853 0.000 1.067 292 Y CA -0.571 57.186 58.100 -0.572 0.000 1.128 292 Y CB 1.004 39.228 38.460 -0.394 0.000 1.200 292 Y HN 0.426 nan 8.280 nan 0.000 0.464 293 F N 3.041 122.835 119.950 -0.261 0.000 2.371 293 F HA 0.299 4.826 4.527 -0.001 0.000 0.363 293 F C 0.891 176.653 175.800 -0.064 0.000 1.122 293 F CA -0.204 57.717 58.000 -0.131 0.000 1.129 293 F CB 0.592 39.577 39.000 -0.025 0.000 1.173 293 F HN 0.592 nan 8.300 nan 0.000 0.489 294 N N 2.359 121.134 118.700 0.125 0.000 2.414 294 N HA 0.103 4.842 4.740 -0.001 0.000 0.177 294 N C 0.321 175.983 175.510 0.255 0.000 1.062 294 N CA 0.469 53.608 53.050 0.149 0.000 0.890 294 N CB 0.616 39.138 38.487 0.057 0.000 1.070 294 N HN 0.271 nan 8.380 nan 0.000 0.454 295 I N 2.901 123.612 120.570 0.236 0.000 2.256 295 I HA 0.134 4.303 4.170 -0.001 0.000 0.294 295 I C 0.213 176.419 176.117 0.148 0.000 1.127 295 I CA -0.973 60.396 61.300 0.115 0.000 1.247 295 I CB -0.770 37.219 38.000 -0.019 0.000 1.460 295 I HN -0.028 nan 8.210 nan 0.000 0.511 296 L N 7.246 128.510 121.223 0.068 0.000 2.513 296 L HA 0.025 4.364 4.340 -0.001 0.000 0.272 296 L C 1.276 178.092 176.870 -0.090 0.000 1.187 296 L CA 0.996 55.714 54.840 -0.205 0.000 0.895 296 L CB 0.446 42.402 42.059 -0.172 0.000 1.147 296 L HN 0.480 nan 8.230 nan 0.000 0.483 297 Q N 4.548 124.269 119.800 -0.131 0.000 2.462 297 Q HA 0.480 4.819 4.340 -0.001 0.000 0.224 297 Q C -0.064 175.949 176.000 0.022 0.000 0.911 297 Q CA 0.873 56.682 55.803 0.010 0.000 0.925 297 Q CB 0.536 29.302 28.738 0.048 0.000 1.063 297 Q HN 0.770 nan 8.270 nan 0.000 0.572 298 A N -0.060 122.717 122.820 -0.071 0.000 2.612 298 A HA 0.651 4.971 4.320 -0.001 0.000 0.293 298 A C -1.427 176.067 177.584 -0.151 0.000 1.075 298 A CA -0.500 51.507 52.037 -0.051 0.000 0.680 298 A CB 1.626 20.620 19.000 -0.011 0.000 1.279 298 A HN -0.070 nan 8.150 nan 0.000 0.411 299 V N 1.101 120.920 119.914 -0.159 0.000 2.808 299 V HA 0.643 4.762 4.120 -0.001 0.000 0.308 299 V C 0.552 176.524 176.094 -0.203 0.000 1.099 299 V CA -0.082 62.042 62.300 -0.292 0.000 0.920 299 V CB 1.921 33.372 31.823 -0.620 0.000 1.014 299 V HN 1.346 nan 8.190 nan 0.000 0.425 300 T N 0.032 114.479 114.554 -0.178 0.000 2.766 300 T HA 0.284 4.633 4.350 -0.001 0.000 0.295 300 T C 0.048 174.687 174.700 -0.103 0.000 1.024 300 T CA -0.576 61.463 62.100 -0.100 0.000 1.018 300 T CB 0.605 69.433 68.868 -0.068 0.000 1.002 300 T HN 0.586 nan 8.240 nan 0.000 0.532 301 D N 0.168 120.545 120.400 -0.037 0.000 2.352 301 D HA 0.173 4.812 4.640 -0.001 0.000 0.238 301 D C 0.251 176.540 176.300 -0.018 0.000 1.286 301 D CA -0.380 53.616 54.000 -0.008 0.000 0.923 301 D CB 0.379 41.194 40.800 0.025 0.000 1.146 301 D HN 0.408 nan 8.370 nan 0.000 0.471 302 V N 1.401 121.322 119.914 0.012 0.000 2.585 302 V HA 0.089 4.208 4.120 -0.001 0.000 0.296 302 V C 0.551 176.659 176.094 0.023 0.000 1.035 302 V CA 0.315 62.612 62.300 -0.004 0.000 1.084 302 V CB 0.033 31.872 31.823 0.027 0.000 0.953 302 V HN 0.238 nan 8.190 nan 0.000 0.483 303 I N 4.568 125.143 120.570 0.009 0.000 2.498 303 I HA 0.471 4.641 4.170 -0.001 0.000 0.290 303 I C -0.041 176.103 176.117 0.046 0.000 1.032 303 I CA -0.950 60.371 61.300 0.036 0.000 1.073 303 I CB 1.995 40.016 38.000 0.035 0.000 1.251 303 I HN 0.459 nan 8.210 nan 0.000 0.426 304 R N 6.812 127.350 120.500 0.063 0.000 2.288 304 R HA 0.494 4.834 4.340 -0.001 0.000 0.330 304 R C -1.338 175.001 176.300 0.066 0.000 1.069 304 R CA 0.351 56.491 56.100 0.067 0.000 0.941 304 R CB -0.052 30.291 30.300 0.072 0.000 0.998 304 R HN 0.592 nan 8.270 nan 0.000 0.452 305 I N 4.912 125.526 120.570 0.074 0.000 2.439 305 I HA 0.200 4.370 4.170 -0.001 0.000 0.283 305 I C -0.236 175.925 176.117 0.075 0.000 1.023 305 I CA -0.929 60.421 61.300 0.084 0.000 1.100 305 I CB 1.521 39.601 38.000 0.135 0.000 1.238 305 I HN 0.808 nan 8.210 nan 0.000 0.445 306 N N 5.324 124.053 118.700 0.048 0.000 2.746 306 N HA -0.184 4.555 4.740 -0.001 0.000 0.250 306 N C 0.754 176.288 175.510 0.040 0.000 1.055 306 N CA 1.276 54.346 53.050 0.034 0.000 0.699 306 N CB -0.732 37.773 38.487 0.030 0.000 0.919 306 N HN 1.105 nan 8.380 nan 0.000 0.548 307 G N -0.884 107.941 108.800 0.041 0.000 2.347 307 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.247 307 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.247 307 G C 0.283 175.217 174.900 0.057 0.000 1.037 307 G CA 0.679 45.806 45.100 0.045 0.000 0.622 307 G HN 0.712 nan 8.290 nan 0.000 0.521 308 R N 0.933 121.470 120.500 0.061 0.000 2.536 308 R HA 0.550 4.890 4.340 -0.001 0.000 0.279 308 R C -1.215 175.119 176.300 0.058 0.000 1.001 308 R CA -0.737 55.400 56.100 0.062 0.000 1.027 308 R CB 0.809 31.146 30.300 0.061 0.000 1.096 308 R HN 0.119 nan 8.270 nan 0.000 0.502 309 D N 1.344 121.770 120.400 0.044 0.000 2.232 309 D HA 0.391 5.030 4.640 -0.001 0.000 0.242 309 D C -0.696 175.555 176.300 -0.083 0.000 1.093 309 D CA -0.170 53.829 54.000 -0.001 0.000 0.845 309 D CB 1.910 42.725 40.800 0.025 0.000 1.124 309 D HN 0.028 nan 8.370 nan 0.000 0.467 310 V N 1.473 121.341 119.914 -0.076 0.000 3.147 310 V HA 0.496 4.616 4.120 -0.001 0.000 0.306 310 V C -0.529 175.508 176.094 -0.095 0.000 1.209 310 V CA -0.901 61.352 62.300 -0.079 0.000 1.023 310 V CB 2.612 34.418 31.823 -0.029 0.000 1.059 310 V HN 0.405 nan 8.190 nan 0.000 0.435 311 V N 1.178 121.028 119.914 -0.107 0.000 2.823 311 V HA 0.811 4.931 4.120 -0.001 0.000 0.312 311 V C -1.262 174.741 176.094 -0.151 0.000 1.072 311 V CA -0.896 61.323 62.300 -0.136 0.000 0.937 311 V CB 1.850 33.539 31.823 -0.223 0.000 1.013 311 V HN 0.538 nan 8.190 nan 0.000 0.430 312 L N 3.020 124.150 121.223 -0.155 0.000 2.334 312 L HA 0.968 5.308 4.340 -0.001 0.000 0.275 312 L C 0.369 177.169 176.870 -0.117 0.000 1.036 312 L CA -0.203 54.542 54.840 -0.158 0.000 0.807 312 L CB 1.507 43.506 42.059 -0.100 0.000 1.231 312 L HN 1.189 nan 8.230 nan 0.000 0.438 313 A N 0.517 123.308 122.820 -0.047 0.000 2.422 313 A HA 0.781 5.100 4.320 -0.001 0.000 0.302 313 A C -0.516 177.035 177.584 -0.055 0.000 1.041 313 A CA -0.481 51.493 52.037 -0.105 0.000 0.708 313 A CB 1.370 20.328 19.000 -0.071 0.000 1.257 313 A HN 0.674 nan 8.150 nan 0.000 0.414 314 T N -0.586 113.860 114.554 -0.180 0.000 2.867 314 T HA 0.805 5.154 4.350 -0.001 0.000 0.282 314 T C -0.621 173.930 174.700 -0.249 0.000 1.000 314 T CA -0.332 61.739 62.100 -0.048 0.000 1.042 314 T CB 0.553 69.433 68.868 0.019 0.000 0.973 314 T HN 0.344 nan 8.240 nan 0.000 0.465 315 F N 0.764 120.764 119.950 0.083 0.000 2.588 315 F HA 0.662 5.188 4.527 -0.001 0.000 0.310 315 F C 0.531 176.462 175.800 0.217 0.000 1.082 315 F CA -0.898 57.191 58.000 0.148 0.000 0.929 315 F CB 2.603 41.714 39.000 0.185 0.000 1.254 315 F HN 0.905 nan 8.300 nan 0.000 0.455 316 S N -0.656 115.321 115.700 0.462 0.000 2.671 316 S HA 0.764 5.233 4.470 -0.001 0.000 0.299 316 S C -0.444 174.414 174.600 0.429 0.000 1.116 316 S CA -0.674 57.808 58.200 0.470 0.000 0.912 316 S CB 1.544 64.969 63.200 0.376 0.000 1.130 316 S HN 0.729 nan 8.310 nan 0.000 0.501 317 T N -0.820 113.947 114.554 0.354 0.000 2.788 317 T HA 0.562 4.912 4.350 -0.001 0.000 0.287 317 T C -2.759 172.024 174.700 0.138 0.000 1.007 317 T CA -1.415 60.777 62.100 0.154 0.000 1.005 317 T CB -0.490 68.454 68.868 0.126 0.000 1.012 317 T HN 0.467 nan 8.240 nan 0.000 0.530 318 P HA 0.080 nan 4.420 nan 0.000 0.269 318 P C 0.194 177.575 177.300 0.135 0.000 1.217 318 P CA -0.286 62.781 63.100 -0.056 0.000 0.783 318 P CB 0.124 31.771 31.700 -0.088 0.000 0.898 319 Y N -0.511 119.788 120.300 -0.001 0.000 2.516 319 Y HA -0.006 4.544 4.550 -0.001 0.000 0.291 319 Y C 1.621 177.522 175.900 0.003 0.000 1.131 319 Y CA 0.746 58.849 58.100 0.006 0.000 1.281 319 Y CB -1.064 37.395 38.460 -0.002 0.000 1.013 319 Y HN 0.338 nan 8.280 nan 0.000 0.554 320 N N -0.294 118.482 118.700 0.128 0.000 2.322 320 N HA 0.041 4.780 4.740 -0.001 0.000 0.194 320 N C -0.061 175.477 175.510 0.047 0.000 1.126 320 N CA 0.198 53.289 53.050 0.068 0.000 0.845 320 N CB 0.330 38.835 38.487 0.030 0.000 0.976 320 N HN 0.070 nan 8.380 nan 0.000 0.475 321 S N -0.242 115.495 115.700 0.061 0.000 2.767 321 S HA 0.486 4.955 4.470 -0.001 0.000 0.300 321 S C 0.461 175.087 174.600 0.043 0.000 1.123 321 S CA -0.676 57.548 58.200 0.041 0.000 0.992 321 S CB 1.536 64.760 63.200 0.041 0.000 1.138 321 S HN 0.009 nan 8.310 nan 0.000 0.550 322 I N 3.105 123.688 120.570 0.020 0.000 2.587 322 I HA 0.135 4.305 4.170 -0.001 0.000 0.284 322 I C -2.201 173.933 176.117 0.029 0.000 1.134 322 I CA -1.497 59.805 61.300 0.004 0.000 1.410 322 I CB -0.045 37.931 38.000 -0.041 0.000 1.392 322 I HN 0.291 nan 8.210 nan 0.000 0.545 323 P HA 0.257 nan 4.420 nan 0.000 0.271 323 P C -0.156 177.199 177.300 0.090 0.000 1.216 323 P CA -0.086 63.057 63.100 0.071 0.000 0.771 323 P CB 0.901 32.619 31.700 0.030 0.000 0.864 324 G N 0.475 109.392 108.800 0.195 0.000 2.673 324 G HA2 0.573 4.533 3.960 -0.001 0.000 0.292 324 G HA3 0.573 4.533 3.960 -0.001 0.000 0.292 324 G C -1.595 173.582 174.900 0.462 0.000 1.450 324 G CA -0.430 44.857 45.100 0.311 0.000 0.837 324 G HN 0.369 nan 8.290 nan 0.000 0.505 325 S N -1.273 114.632 115.700 0.341 0.000 2.564 325 S HA 0.939 5.409 4.470 -0.001 0.000 0.274 325 S C -0.410 174.076 174.600 -0.191 0.000 1.124 325 S CA -0.103 58.203 58.200 0.176 0.000 0.869 325 S CB 1.948 65.254 63.200 0.175 0.000 1.105 325 S HN 1.835 nan 8.310 nan 0.000 0.472 326 A N 1.257 123.899 122.820 -0.296 0.000 2.572 326 A HA 0.799 5.119 4.320 -0.001 0.000 0.295 326 A C -1.536 176.046 177.584 -0.004 0.000 1.072 326 A CA -0.632 51.164 52.037 -0.401 0.000 0.691 326 A CB 1.232 19.565 19.000 -1.112 0.000 1.291 326 A HN 0.617 nan 8.150 nan 0.000 0.404 327 V N 0.490 120.436 119.914 0.054 0.000 2.417 327 V HA 0.493 4.612 4.120 -0.001 0.000 0.291 327 V C -0.232 175.865 176.094 0.005 0.000 1.024 327 V CA -0.506 61.869 62.300 0.125 0.000 0.861 327 V CB 0.850 32.796 31.823 0.205 0.000 0.985 327 V HN 0.984 nan 8.190 nan 0.000 0.436 328 c N 3.697 122.293 118.600 -0.007 0.000 2.529 328 c HA 0.923 5.492 4.570 -0.001 0.000 0.329 328 c C 0.595 174.313 174.090 -0.620 0.000 1.194 328 c CA -0.618 55.506 56.329 -0.343 0.000 1.779 328 c CB 1.442 43.766 42.510 -0.310 0.000 2.322 328 c HN 1.012 nan 8.230 nan 0.000 0.500 329 A N 1.614 123.758 122.820 -1.127 0.000 2.340 329 A HA 0.872 5.192 4.320 -0.001 0.000 0.331 329 A C -1.698 175.260 177.584 -1.043 0.000 1.140 329 A CA -0.270 51.113 52.037 -1.090 0.000 0.801 329 A CB 0.562 18.534 19.000 -1.714 0.000 1.234 329 A HN 0.825 nan 8.150 nan 0.000 0.469 330 Y N 0.515 120.652 120.300 -0.273 0.000 2.406 330 Y HA 0.309 4.859 4.550 -0.001 0.000 0.340 330 Y C -0.110 175.697 175.900 -0.155 0.000 0.975 330 Y CA -0.847 57.152 58.100 -0.168 0.000 1.056 330 Y CB 1.845 40.242 38.460 -0.105 0.000 1.210 330 Y HN 0.690 nan 8.280 nan 0.000 0.448 331 D N 3.520 123.921 120.400 0.000 0.000 2.348 331 D HA 0.062 4.701 4.640 -0.001 0.000 0.253 331 D C 0.970 177.222 176.300 -0.080 0.000 1.161 331 D CA -0.009 53.969 54.000 -0.036 0.000 0.876 331 D CB 1.113 41.905 40.800 -0.014 0.000 1.160 331 D HN 0.535 nan 8.370 nan 0.000 0.459 332 M N 3.706 123.195 119.600 -0.185 0.000 2.260 332 M HA -0.177 4.303 4.480 -0.001 0.000 0.261 332 M C 1.860 178.068 176.300 -0.153 0.000 1.066 332 M CA 0.993 56.094 55.300 -0.331 0.000 1.082 332 M CB -0.634 31.470 32.600 -0.825 0.000 1.388 332 M HN 0.541 nan 8.290 nan 0.000 0.419 333 L N -0.540 120.655 121.223 -0.046 0.000 2.056 333 L HA -0.224 4.116 4.340 -0.001 0.000 0.207 333 L C 1.982 178.841 176.870 -0.018 0.000 1.078 333 L CA 1.185 56.036 54.840 0.019 0.000 0.749 333 L CB -0.968 41.116 42.059 0.042 0.000 0.901 333 L HN 0.239 nan 8.230 nan 0.000 0.433 334 D N 0.353 120.730 120.400 -0.038 0.000 2.144 334 D HA -0.126 4.513 4.640 -0.001 0.000 0.200 334 D C 2.286 178.516 176.300 -0.117 0.000 0.978 334 D CA 1.093 55.060 54.000 -0.056 0.000 0.833 334 D CB -0.022 40.764 40.800 -0.024 0.000 0.961 334 D HN 0.312 nan 8.370 nan 0.000 0.470 335 I N 1.119 121.602 120.570 -0.145 0.000 2.179 335 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 335 I C 2.472 178.488 176.117 -0.169 0.000 1.088 335 I CA 1.013 62.169 61.300 -0.240 0.000 1.357 335 I CB -0.249 37.546 38.000 -0.343 0.000 1.051 335 I HN -0.072 nan 8.210 nan 0.000 0.409 336 A N 0.594 123.373 122.820 -0.068 0.000 1.940 336 A HA -0.274 4.045 4.320 -0.001 0.000 0.219 336 A C 2.160 179.774 177.584 0.050 0.000 1.176 336 A CA 2.086 54.183 52.037 0.101 0.000 0.631 336 A CB -0.970 18.114 19.000 0.139 0.000 0.814 336 A HN 0.541 nan 8.150 nan 0.000 0.446 337 N N -0.085 118.590 118.700 -0.042 0.000 2.244 337 N HA -0.116 4.623 4.740 -0.001 0.000 0.183 337 N C 1.675 177.091 175.510 -0.157 0.000 1.016 337 N CA 1.332 54.342 53.050 -0.066 0.000 0.866 337 N CB -0.059 38.394 38.487 -0.058 0.000 0.980 337 N HN 0.256 nan 8.380 nan 0.000 0.430 338 V N 0.483 120.212 119.914 -0.309 0.000 2.594 338 V HA -0.159 3.961 4.120 -0.001 0.000 0.253 338 V C 1.030 176.808 176.094 -0.527 0.000 1.069 338 V CA 1.367 63.385 62.300 -0.470 0.000 1.082 338 V CB -0.634 30.779 31.823 -0.683 0.000 0.680 338 V HN 0.222 nan 8.190 nan 0.000 0.469 339 F N 0.429 120.274 119.950 -0.175 0.000 2.811 339 F HA 0.079 4.606 4.527 -0.001 0.000 0.301 339 F C 2.194 177.871 175.800 -0.205 0.000 1.151 339 F CA 1.030 58.908 58.000 -0.204 0.000 1.412 339 F CB -0.700 38.190 39.000 -0.183 0.000 1.113 339 F HN 0.320 nan 8.300 nan 0.000 0.579 340 T N -3.138 111.383 114.554 -0.055 0.000 3.086 340 T HA 0.391 4.741 4.350 -0.001 0.000 0.250 340 T C 1.172 175.790 174.700 -0.137 0.000 1.074 340 T CA 0.240 62.301 62.100 -0.064 0.000 0.988 340 T CB -0.296 68.560 68.868 -0.020 0.000 0.988 340 T HN 0.122 nan 8.240 nan 0.000 0.530 341 G N 0.937 109.608 108.800 -0.215 0.000 2.543 341 G HA2 0.574 4.533 3.960 -0.001 0.000 0.267 341 G HA3 0.574 4.533 3.960 -0.001 0.000 0.267 341 G C -0.413 174.304 174.900 -0.303 0.000 1.406 341 G CA -1.277 43.698 45.100 -0.209 0.000 1.048 341 G HN 0.380 nan 8.290 nan 0.000 0.548 342 R N -1.123 119.257 120.500 -0.200 0.000 2.582 342 R HA 0.332 4.671 4.340 -0.001 0.000 0.271 342 R C -0.768 175.418 176.300 -0.190 0.000 1.078 342 R CA -0.157 55.862 56.100 -0.136 0.000 1.127 342 R CB 0.642 30.947 30.300 0.009 0.000 1.038 342 R HN 0.326 nan 8.270 nan 0.000 0.500 343 F N 0.742 120.765 119.950 0.121 0.000 2.370 343 F HA 0.312 4.838 4.527 -0.001 0.000 0.324 343 F C 1.015 176.932 175.800 0.195 0.000 1.116 343 F CA -0.287 57.819 58.000 0.177 0.000 1.123 343 F CB 0.662 39.830 39.000 0.281 0.000 1.238 343 F HN 0.158 nan 8.300 nan 0.000 0.536 344 K N 0.973 121.633 120.400 0.432 0.000 2.098 344 K HA 0.449 4.768 4.320 -0.001 0.000 0.258 344 K C -0.956 175.957 176.600 0.522 0.000 0.973 344 K CA -0.537 56.005 56.287 0.426 0.000 0.898 344 K CB 1.409 34.140 32.500 0.385 0.000 1.057 344 K HN 0.845 nan 8.250 nan 0.000 0.447 345 E N 1.446 121.892 120.200 0.410 0.000 2.407 345 E HA 0.158 4.507 4.350 -0.001 0.000 0.279 345 E C -1.478 174.904 176.600 -0.364 0.000 1.012 345 E CA -0.965 55.487 56.400 0.087 0.000 0.800 345 E CB 1.353 31.134 29.700 0.136 0.000 1.276 345 E HN 0.330 nan 8.360 nan 0.000 0.452 346 Q N 1.428 120.759 119.800 -0.783 0.000 2.368 346 Q HA 0.219 4.558 4.340 -0.001 0.000 0.256 346 Q C 0.228 176.013 176.000 -0.359 0.000 0.980 346 Q CA -0.385 54.962 55.803 -0.759 0.000 0.887 346 Q CB 1.497 29.648 28.738 -0.979 0.000 1.221 346 Q HN 0.485 nan 8.270 nan 0.000 0.458 347 K N 0.534 120.799 120.400 -0.226 0.000 2.097 347 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 347 K C 0.744 177.271 176.600 -0.122 0.000 1.049 347 K CA 1.099 57.311 56.287 -0.125 0.000 0.933 347 K CB 0.260 32.715 32.500 -0.074 0.000 0.717 347 K HN 0.570 nan 8.250 nan 0.000 0.442 348 S N -0.377 115.235 115.700 -0.148 0.000 2.618 348 S HA 0.448 4.918 4.470 -0.001 0.000 0.277 348 S C -3.043 171.470 174.600 -0.145 0.000 1.138 348 S CA -1.902 56.226 58.200 -0.119 0.000 0.844 348 S CB 2.105 65.258 63.200 -0.079 0.000 1.127 348 S HN -0.253 nan 8.310 nan 0.000 0.474 349 P HA 0.255 nan 4.420 nan 0.000 0.265 349 P C -0.731 176.520 177.300 -0.082 0.000 1.193 349 P CA 0.834 63.876 63.100 -0.097 0.000 0.765 349 P CB -0.041 31.623 31.700 -0.060 0.000 0.823 350 D N -0.261 120.095 120.400 -0.073 0.000 2.723 350 D HA -0.127 4.512 4.640 -0.001 0.000 0.236 350 D C -0.128 176.139 176.300 -0.055 0.000 1.138 350 D CA 1.366 55.342 54.000 -0.041 0.000 0.676 350 D CB -1.457 39.331 40.800 -0.021 0.000 1.069 350 D HN 0.478 nan 8.370 nan 0.000 0.430 351 S N -2.217 113.421 115.700 -0.104 0.000 2.671 351 S HA 0.755 5.225 4.470 -0.001 0.000 0.299 351 S C 0.430 174.964 174.600 -0.110 0.000 1.116 351 S CA -0.162 57.979 58.200 -0.098 0.000 0.912 351 S CB 2.324 65.453 63.200 -0.118 0.000 1.130 351 S HN 0.184 nan 8.310 nan 0.000 0.501 352 T N -1.012 113.511 114.554 -0.052 0.000 2.856 352 T HA 0.297 4.646 4.350 -0.001 0.000 0.306 352 T C -0.745 173.942 174.700 -0.022 0.000 1.062 352 T CA -0.322 61.793 62.100 0.026 0.000 1.083 352 T CB -0.284 68.605 68.868 0.034 0.000 0.984 352 T HN 0.634 nan 8.240 nan 0.000 0.542 353 W N 1.811 123.093 121.300 -0.029 0.000 2.338 353 W HA 0.496 5.156 4.660 -0.001 0.000 0.307 353 W C 0.682 177.204 176.519 0.005 0.000 1.167 353 W CA -0.416 56.925 57.345 -0.005 0.000 1.208 353 W CB 0.899 30.357 29.460 -0.004 0.000 1.228 353 W HN 1.041 nan 8.180 nan 0.000 0.499 354 T N 0.833 115.497 114.554 0.182 0.000 2.916 354 T HA 0.592 4.942 4.350 -0.001 0.000 0.292 354 T C -2.748 172.045 174.700 0.155 0.000 1.064 354 T CA -2.791 59.387 62.100 0.129 0.000 1.011 354 T CB 2.069 70.975 68.868 0.063 0.000 1.152 354 T HN 0.090 nan 8.240 nan 0.000 0.510 355 P HA 0.256 nan 4.420 nan 0.000 0.282 355 P C -0.096 177.286 177.300 0.137 0.000 1.262 355 P CA -0.365 62.814 63.100 0.132 0.000 0.773 355 P CB 0.569 32.318 31.700 0.082 0.000 0.879 356 V N 6.794 126.825 119.914 0.195 0.000 2.557 356 V HA -0.001 4.118 4.120 -0.001 0.000 0.301 356 V C -1.712 174.473 176.094 0.152 0.000 1.026 356 V CA -0.789 61.627 62.300 0.193 0.000 1.137 356 V CB -0.636 31.363 31.823 0.293 0.000 0.917 356 V HN 0.555 nan 8.190 nan 0.000 0.484 357 P HA 0.091 nan 4.420 nan 0.000 0.268 357 P C 0.490 177.832 177.300 0.069 0.000 1.205 357 P CA -0.083 63.061 63.100 0.072 0.000 0.771 357 P CB 0.607 32.338 31.700 0.052 0.000 0.858 358 D N 1.550 121.979 120.400 0.049 0.000 2.218 358 D HA -0.171 4.468 4.640 -0.001 0.000 0.204 358 D C 1.102 177.401 176.300 -0.002 0.000 0.976 358 D CA 1.215 55.235 54.000 0.032 0.000 0.853 358 D CB 0.049 40.863 40.800 0.022 0.000 0.939 358 D HN 0.333 nan 8.370 nan 0.000 0.481 359 E N -0.283 119.920 120.200 0.005 0.000 2.333 359 E HA -0.074 4.275 4.350 -0.001 0.000 0.198 359 E C 1.464 178.055 176.600 -0.015 0.000 1.007 359 E CA 0.637 57.034 56.400 -0.006 0.000 0.845 359 E CB -0.019 29.685 29.700 0.005 0.000 0.766 359 E HN 0.277 nan 8.360 nan 0.000 0.507 360 R N 0.084 120.582 120.500 -0.004 0.000 2.359 360 R HA 0.179 4.518 4.340 -0.001 0.000 0.231 360 R C -0.439 175.802 176.300 -0.098 0.000 0.913 360 R CA -0.098 56.004 56.100 0.002 0.000 1.075 360 R CB 0.770 31.112 30.300 0.069 0.000 1.087 360 R HN -0.032 nan 8.270 nan 0.000 0.515 361 V N 3.335 123.122 119.914 -0.211 0.000 2.406 361 V HA 0.207 4.327 4.120 -0.001 0.000 0.272 361 V C -1.947 173.894 176.094 -0.422 0.000 1.043 361 V CA -2.018 59.952 62.300 -0.551 0.000 0.915 361 V CB 1.152 32.754 31.823 -0.368 0.000 0.988 361 V HN 0.024 nan 8.190 nan 0.000 0.466 362 P HA 0.229 nan 4.420 nan 0.000 0.271 362 P C -0.660 176.505 177.300 -0.225 0.000 1.233 362 P CA -0.406 62.521 63.100 -0.288 0.000 0.789 362 P CB 0.657 32.196 31.700 -0.269 0.000 0.951 363 K N 1.603 121.923 120.400 -0.134 0.000 2.292 363 K HA 0.417 4.737 4.320 -0.001 0.000 0.257 363 K C -2.304 174.246 176.600 -0.084 0.000 0.940 363 K CA -2.085 54.144 56.287 -0.096 0.000 0.811 363 K CB 0.972 33.447 32.500 -0.042 0.000 1.120 363 K HN 0.379 nan 8.250 nan 0.000 0.428 364 P HA 0.089 nan 4.420 nan 0.000 0.274 364 P C -0.948 176.212 177.300 -0.233 0.000 1.237 364 P CA -0.485 62.513 63.100 -0.169 0.000 0.793 364 P CB 0.705 32.246 31.700 -0.265 0.000 0.977 365 R N 2.297 122.702 120.500 -0.157 0.000 2.484 365 R HA 0.117 4.457 4.340 -0.001 0.000 0.293 365 R C -2.025 174.198 176.300 -0.127 0.000 1.023 365 R CA -1.161 54.869 56.100 -0.118 0.000 1.037 365 R CB -0.533 29.762 30.300 -0.009 0.000 0.951 365 R HN 0.345 nan 8.270 nan 0.000 0.418 366 P HA 0.009 nan 4.420 nan 0.000 0.265 366 P C 0.286 177.666 177.300 0.132 0.000 1.193 366 P CA 0.895 63.973 63.100 -0.037 0.000 0.765 366 P CB 0.733 32.382 31.700 -0.084 0.000 0.823 367 G N 1.227 110.094 108.800 0.110 0.000 2.195 367 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.246 367 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.246 367 G C 0.220 175.215 174.900 0.160 0.000 0.984 367 G CA -0.210 44.978 45.100 0.145 0.000 0.633 367 G HN 0.657 nan 8.290 nan 0.000 0.525 368 C N 1.699 121.063 119.300 0.106 0.000 2.463 368 C HA 0.599 5.058 4.460 -0.001 0.000 0.380 368 C C 1.554 176.635 174.990 0.152 0.000 1.264 368 C CA -0.499 58.593 59.018 0.124 0.000 2.161 368 C CB 0.017 27.791 27.740 0.056 0.000 2.515 368 C HN 0.620 nan 8.230 nan 0.000 0.565 369 c N 3.226 121.929 118.600 0.172 0.000 2.536 369 c HA 0.531 5.100 4.570 -0.001 0.000 0.396 369 c C 1.113 175.354 174.090 0.252 0.000 1.279 369 c CA -0.701 55.741 56.329 0.187 0.000 2.148 369 c CB -0.544 41.982 42.510 0.027 0.000 2.584 369 c HN 1.027 nan 8.230 nan 0.000 0.579 370 A N 2.477 125.507 122.820 0.350 0.000 2.567 370 A HA 0.427 4.746 4.320 -0.001 0.000 0.240 370 A C 1.456 179.157 177.584 0.196 0.000 1.053 370 A CA 0.877 53.114 52.037 0.334 0.000 0.755 370 A CB -0.687 18.415 19.000 0.170 0.000 0.978 370 A HN 2.353 nan 8.150 nan 0.000 0.507 371 G N 1.209 110.135 108.800 0.209 0.000 2.199 371 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.254 371 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.254 371 G C 0.789 175.750 174.900 0.101 0.000 0.982 371 G CA 0.846 46.022 45.100 0.126 0.000 0.632 371 G HN 1.758 nan 8.290 nan 0.000 0.529 372 S N -0.031 115.740 115.700 0.118 0.000 2.580 372 S HA 0.462 4.931 4.470 -0.001 0.000 0.266 372 S C 1.210 175.865 174.600 0.092 0.000 1.354 372 S CA 0.996 59.253 58.200 0.095 0.000 1.008 372 S CB 0.792 64.055 63.200 0.106 0.000 0.898 372 S HN 1.772 nan 8.310 nan 0.000 0.555 373 S N 1.938 117.683 115.700 0.075 0.000 2.673 373 S HA 0.101 4.570 4.470 -0.001 0.000 0.308 373 S C 0.960 175.602 174.600 0.070 0.000 1.246 373 S CA 1.065 59.303 58.200 0.064 0.000 1.077 373 S CB -0.942 62.292 63.200 0.056 0.000 0.814 373 S HN 2.141 nan 8.310 nan 0.000 0.503 374 S N 2.991 118.730 115.700 0.066 0.000 2.857 374 S HA -0.171 4.298 4.470 -0.001 0.000 0.268 374 S C 0.239 174.911 174.600 0.119 0.000 1.297 374 S CA 1.216 59.458 58.200 0.070 0.000 1.280 374 S CB -2.027 61.206 63.200 0.055 0.000 1.562 374 S HN 0.828 nan 8.310 nan 0.000 0.661 375 L N 1.221 122.539 121.223 0.158 0.000 2.857 375 L HA 0.506 4.845 4.340 -0.001 0.000 0.249 375 L C 1.585 178.620 176.870 0.275 0.000 1.172 375 L CA 0.456 55.482 54.840 0.310 0.000 0.980 375 L CB 0.328 42.566 42.059 0.298 0.000 1.299 375 L HN 0.267 nan 8.230 nan 0.000 0.535 376 E N 0.048 120.323 120.200 0.125 0.000 2.267 376 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 376 E C 1.945 178.548 176.600 0.005 0.000 0.998 376 E CA 0.744 57.185 56.400 0.069 0.000 0.830 376 E CB -0.125 29.595 29.700 0.034 0.000 0.751 376 E HN 0.293 nan 8.360 nan 0.000 0.491 377 K N 0.099 120.433 120.400 -0.109 0.000 2.288 377 K HA -0.065 4.254 4.320 -0.001 0.000 0.201 377 K C -0.382 176.001 176.600 -0.361 0.000 1.048 377 K CA 0.450 56.558 56.287 -0.299 0.000 0.956 377 K CB 0.151 32.364 32.500 -0.478 0.000 0.746 377 K HN 0.132 nan 8.250 nan 0.000 0.461 378 Y N 0.184 120.549 120.300 0.109 0.000 2.425 378 Y HA 0.232 4.782 4.550 -0.001 0.000 0.347 378 Y C 1.046 176.981 175.900 0.059 0.000 0.976 378 Y CA -0.563 57.611 58.100 0.124 0.000 1.190 378 Y CB 1.206 39.841 38.460 0.291 0.000 1.136 378 Y HN -0.005 nan 8.280 nan 0.000 0.517 379 A N 2.635 125.528 122.820 0.122 0.000 1.883 379 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 379 A C 1.251 178.856 177.584 0.035 0.000 1.186 379 A CA 2.163 54.235 52.037 0.058 0.000 0.624 379 A CB -0.490 18.525 19.000 0.026 0.000 0.822 379 A HN 0.709 nan 8.150 nan 0.000 0.444 380 T N -5.562 108.990 114.554 -0.002 0.000 2.762 380 T HA 0.411 4.760 4.350 -0.001 0.000 0.301 380 T C 0.783 175.249 174.700 -0.390 0.000 1.299 380 T CA 0.382 62.405 62.100 -0.129 0.000 1.005 380 T CB 0.938 69.734 68.868 -0.119 0.000 1.377 380 T HN 0.579 nan 8.240 nan 0.000 0.504 381 S N 0.828 116.133 115.700 -0.658 0.000 2.442 381 S HA -0.141 4.328 4.470 -0.001 0.000 0.236 381 S C 1.532 175.686 174.600 -0.744 0.000 1.007 381 S CA 0.981 58.351 58.200 -1.384 0.000 0.965 381 S CB -0.898 61.813 63.200 -0.815 0.000 0.773 381 S HN 0.697 nan 8.310 nan 0.000 0.504 382 N N 2.174 120.668 118.700 -0.344 0.000 2.272 382 N HA -0.100 4.640 4.740 -0.001 0.000 0.185 382 N C 1.244 176.709 175.510 -0.076 0.000 1.014 382 N CA 1.366 54.323 53.050 -0.156 0.000 0.870 382 N CB -0.334 38.096 38.487 -0.095 0.000 0.975 382 N HN 0.714 nan 8.380 nan 0.000 0.433 383 E N -0.601 119.561 120.200 -0.063 0.000 2.479 383 E HA 0.054 4.404 4.350 -0.001 0.000 0.193 383 E C -0.351 176.423 176.600 0.290 0.000 1.049 383 E CA -0.355 56.134 56.400 0.148 0.000 0.870 383 E CB 0.141 29.999 29.700 0.265 0.000 0.944 383 E HN 0.092 nan 8.360 nan 0.000 0.492 384 F N 2.277 122.203 119.950 -0.040 0.000 2.563 384 F HA 0.110 4.637 4.527 -0.001 0.000 0.363 384 F C -1.675 174.100 175.800 -0.042 0.000 1.123 384 F CA -3.242 54.634 58.000 -0.206 0.000 1.307 384 F CB -0.411 38.474 39.000 -0.192 0.000 1.115 384 F HN -0.096 nan 8.300 nan 0.000 0.592 385 P HA 0.074 nan 4.420 nan 0.000 0.272 385 P C 0.319 177.679 177.300 0.100 0.000 1.223 385 P CA -0.136 63.036 63.100 0.119 0.000 0.784 385 P CB 0.761 32.511 31.700 0.084 0.000 0.923 386 D N 0.769 121.224 120.400 0.092 0.000 2.178 386 D HA -0.170 4.470 4.640 -0.001 0.000 0.201 386 D C 1.385 177.738 176.300 0.087 0.000 0.980 386 D CA 1.354 55.407 54.000 0.090 0.000 0.842 386 D CB -0.434 40.412 40.800 0.076 0.000 0.948 386 D HN 0.548 nan 8.370 nan 0.000 0.472 387 D N 0.345 120.786 120.400 0.068 0.000 2.084 387 D HA -0.146 4.494 4.640 -0.001 0.000 0.194 387 D C 1.729 178.069 176.300 0.068 0.000 0.990 387 D CA 1.452 55.492 54.000 0.067 0.000 0.826 387 D CB -1.026 39.797 40.800 0.038 0.000 0.971 387 D HN 0.048 nan 8.370 nan 0.000 0.453 388 T N 1.197 115.753 114.554 0.003 0.000 2.665 388 T HA -0.103 4.246 4.350 -0.001 0.000 0.268 388 T C 2.127 176.868 174.700 0.069 0.000 1.035 388 T CA 1.398 63.469 62.100 -0.048 0.000 1.151 388 T CB -0.341 68.413 68.868 -0.190 0.000 0.862 388 T HN 0.176 nan 8.240 nan 0.000 0.438 389 L N 0.564 121.858 121.223 0.118 0.000 2.044 389 L HA -0.067 4.272 4.340 -0.001 0.000 0.205 389 L C 2.410 179.402 176.870 0.203 0.000 1.075 389 L CA 1.448 56.398 54.840 0.183 0.000 0.747 389 L CB -0.755 41.417 42.059 0.188 0.000 0.903 389 L HN 0.302 nan 8.230 nan 0.000 0.435 390 N N -0.211 118.594 118.700 0.175 0.000 2.149 390 N HA -0.240 4.499 4.740 -0.001 0.000 0.188 390 N C 1.739 177.373 175.510 0.206 0.000 1.019 390 N CA 1.219 54.371 53.050 0.171 0.000 0.857 390 N CB -0.201 38.367 38.487 0.134 0.000 0.997 390 N HN 0.167 nan 8.380 nan 0.000 0.426 391 F N 1.167 121.159 119.950 0.071 0.000 2.113 391 F HA -0.034 4.493 4.527 -0.001 0.000 0.297 391 F C 2.041 177.901 175.800 0.101 0.000 1.103 391 F CA 1.096 59.127 58.000 0.053 0.000 1.248 391 F CB -0.067 38.840 39.000 -0.155 0.000 0.999 391 F HN -0.003 nan 8.300 nan 0.000 0.475 392 I N 0.170 120.917 120.570 0.296 0.000 2.546 392 I HA -0.240 3.929 4.170 -0.001 0.000 0.255 392 I C 2.321 178.559 176.117 0.201 0.000 1.163 392 I CA 1.010 62.432 61.300 0.202 0.000 1.457 392 I CB -0.360 37.749 38.000 0.181 0.000 1.092 392 I HN 0.171 nan 8.210 nan 0.000 0.434 393 K N 0.296 120.881 120.400 0.309 0.000 2.147 393 K HA -0.174 4.146 4.320 -0.001 0.000 0.205 393 K C 1.611 178.448 176.600 0.395 0.000 1.049 393 K CA 1.952 58.536 56.287 0.496 0.000 0.936 393 K CB 0.012 32.742 32.500 0.383 0.000 0.722 393 K HN 0.431 nan 8.250 nan 0.000 0.446 394 T N -3.058 111.576 114.554 0.132 0.000 3.069 394 T HA 0.096 4.445 4.350 -0.001 0.000 0.252 394 T C -0.101 174.328 174.700 -0.452 0.000 1.053 394 T CA -0.231 61.801 62.100 -0.114 0.000 0.964 394 T CB -0.023 68.700 68.868 -0.241 0.000 1.005 394 T HN 0.191 nan 8.240 nan 0.000 0.532 395 H N 1.083 120.061 119.070 -0.153 0.000 2.511 395 H HA 0.355 4.910 4.556 -0.001 0.000 0.228 395 H C -2.333 173.004 175.328 0.015 0.000 1.424 395 H CA -1.686 54.286 56.048 -0.127 0.000 1.321 395 H CB 0.992 30.476 29.762 -0.463 0.000 1.720 395 H HN 0.168 nan 8.280 nan 0.000 0.512 396 P HA -0.060 nan 4.420 nan 0.000 0.231 396 P C 0.131 177.436 177.300 0.009 0.000 1.168 396 P CA 0.201 63.247 63.100 -0.090 0.000 0.779 396 P CB 0.673 32.173 31.700 -0.333 0.000 0.844 397 L N 0.605 121.889 121.223 0.102 0.000 2.276 397 L HA 0.300 4.640 4.340 -0.001 0.000 0.286 397 L C 0.090 177.046 176.870 0.143 0.000 1.061 397 L CA -0.438 54.444 54.840 0.070 0.000 0.807 397 L CB 0.040 42.093 42.059 -0.010 0.000 1.177 397 L HN -0.214 nan 8.230 nan 0.000 0.429 398 M N 2.840 122.463 119.600 0.039 0.000 2.255 398 M HA 0.124 4.604 4.480 -0.001 0.000 0.336 398 M C 0.942 177.218 176.300 -0.040 0.000 1.135 398 M CA -0.112 55.163 55.300 -0.041 0.000 1.145 398 M CB 0.410 32.890 32.600 -0.200 0.000 1.473 398 M HN 0.662 nan 8.290 nan 0.000 0.462 399 D N 1.515 121.897 120.400 -0.030 0.000 2.097 399 D HA -0.091 4.548 4.640 -0.001 0.000 0.195 399 D C -0.009 176.247 176.300 -0.073 0.000 0.989 399 D CA 1.453 55.450 54.000 -0.006 0.000 0.827 399 D CB 0.402 41.212 40.800 0.018 0.000 0.966 399 D HN 0.656 nan 8.370 nan 0.000 0.456 400 E N -0.441 119.681 120.200 -0.129 0.000 2.374 400 E HA 0.465 4.815 4.350 -0.001 0.000 0.260 400 E C -0.602 175.882 176.600 -0.194 0.000 1.101 400 E CA -0.566 55.742 56.400 -0.152 0.000 0.907 400 E CB 1.328 30.925 29.700 -0.171 0.000 1.014 400 E HN 0.238 nan 8.360 nan 0.000 0.427 401 A N 1.551 124.261 122.820 -0.182 0.000 2.312 401 A HA 0.417 4.736 4.320 -0.001 0.000 0.328 401 A C -0.497 176.975 177.584 -0.187 0.000 1.158 401 A CA -0.746 51.167 52.037 -0.207 0.000 0.821 401 A CB 0.892 19.769 19.000 -0.206 0.000 1.170 401 A HN 0.379 nan 8.150 nan 0.000 0.490 402 V N 3.496 123.287 119.914 -0.204 0.000 2.508 402 V HA 0.263 4.382 4.120 -0.001 0.000 0.281 402 V C -2.062 174.035 176.094 0.006 0.000 1.041 402 V CA -0.984 61.227 62.300 -0.148 0.000 1.016 402 V CB 0.603 32.293 31.823 -0.222 0.000 0.984 402 V HN 0.793 nan 8.190 nan 0.000 0.478 403 P HA 0.262 nan 4.420 nan 0.000 0.279 403 P C -0.282 177.071 177.300 0.088 0.000 1.239 403 P CA -0.344 62.778 63.100 0.037 0.000 0.789 403 P CB 0.916 32.603 31.700 -0.020 0.000 0.933 404 S N 2.302 117.968 115.700 -0.056 0.000 2.617 404 S HA 0.370 4.840 4.470 -0.001 0.000 0.269 404 S C 0.427 174.885 174.600 -0.238 0.000 1.292 404 S CA -0.738 57.206 58.200 -0.426 0.000 1.010 404 S CB -0.085 62.742 63.200 -0.622 0.000 0.944 404 S HN 0.283 nan 8.310 nan 0.000 0.536 405 I N 2.407 122.812 120.570 -0.276 0.000 2.587 405 I HA 0.042 4.212 4.170 -0.001 0.000 0.284 405 I C 0.412 176.568 176.117 0.065 0.000 1.134 405 I CA 0.224 61.493 61.300 -0.052 0.000 1.410 405 I CB -0.278 37.743 38.000 0.035 0.000 1.392 405 I HN 0.599 nan 8.210 nan 0.000 0.545 406 I N 4.172 124.781 120.570 0.065 0.000 5.410 406 I HA -0.349 3.820 4.170 -0.001 0.000 0.228 406 I C 0.930 177.063 176.117 0.027 0.000 1.811 406 I CA 0.548 61.895 61.300 0.079 0.000 1.780 406 I CB -1.786 36.323 38.000 0.181 0.000 3.340 406 I HN 0.937 nan 8.210 nan 0.000 0.209 407 N N 0.996 119.686 118.700 -0.016 0.000 2.800 407 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 407 N C 0.374 175.869 175.510 -0.024 0.000 1.078 407 N CA 1.630 54.661 53.050 -0.032 0.000 0.804 407 N CB -0.813 37.667 38.487 -0.012 0.000 1.135 407 N HN 0.862 nan 8.380 nan 0.000 0.565 408 R N -1.848 118.641 120.500 -0.018 0.000 2.734 408 R HA 0.634 4.973 4.340 -0.001 0.000 0.271 408 R C -3.430 172.862 176.300 -0.012 0.000 1.021 408 R CA -1.508 54.581 56.100 -0.018 0.000 0.893 408 R CB 1.014 31.305 30.300 -0.014 0.000 1.244 408 R HN -0.296 nan 8.270 nan 0.000 0.464 409 P HA 0.031 nan 4.420 nan 0.000 0.269 409 P C -0.200 177.161 177.300 0.101 0.000 1.209 409 P CA -0.422 62.645 63.100 -0.056 0.000 0.776 409 P CB 0.276 31.882 31.700 -0.155 0.000 0.876 410 W N 2.042 123.270 121.300 -0.120 0.000 2.519 410 W HA 0.170 4.830 4.660 -0.001 0.000 0.266 410 W C 0.529 176.930 176.519 -0.197 0.000 1.253 410 W CA 0.806 58.084 57.345 -0.111 0.000 1.274 410 W CB -0.660 28.794 29.460 -0.008 0.000 1.114 410 W HN 0.239 nan 8.180 nan 0.000 0.596 411 F N -0.573 119.270 119.950 -0.178 0.000 2.641 411 F HA 0.562 5.089 4.527 -0.001 0.000 0.308 411 F C -1.458 174.170 175.800 -0.286 0.000 1.105 411 F CA -1.442 56.323 58.000 -0.391 0.000 0.964 411 F CB 0.864 39.445 39.000 -0.699 0.000 1.294 411 F HN -0.427 nan 8.300 nan 0.000 0.442 412 L N 5.491 126.075 121.223 -1.065 0.000 2.431 412 L HA 0.661 5.001 4.340 -0.001 0.000 0.266 412 L C -1.099 175.325 176.870 -0.743 0.000 0.978 412 L CA -0.965 53.477 54.840 -0.664 0.000 0.822 412 L CB 2.193 43.990 42.059 -0.436 0.000 1.310 412 L HN 0.505 nan 8.230 nan 0.000 0.409 413 R N 0.977 121.306 120.500 -0.285 0.000 2.502 413 R HA 0.463 4.802 4.340 -0.001 0.000 0.300 413 R C 0.106 176.407 176.300 0.002 0.000 0.984 413 R CA -0.315 55.703 56.100 -0.135 0.000 0.882 413 R CB 1.896 32.193 30.300 -0.004 0.000 1.180 413 R HN 0.801 nan 8.270 nan 0.000 0.444 414 T N -2.304 112.260 114.554 0.016 0.000 3.041 414 T HA 0.219 4.569 4.350 -0.001 0.000 0.276 414 T C 0.859 175.558 174.700 -0.002 0.000 0.948 414 T CA -0.210 61.926 62.100 0.061 0.000 0.885 414 T CB 0.372 69.339 68.868 0.165 0.000 1.175 414 T HN 0.263 nan 8.240 nan 0.000 0.529 415 M N 2.644 122.228 119.600 -0.027 0.000 2.692 415 M HA 0.409 4.888 4.480 -0.001 0.000 0.372 415 M C -0.152 176.115 176.300 -0.056 0.000 1.192 415 M CA -0.211 55.073 55.300 -0.026 0.000 0.928 415 M CB 0.984 33.586 32.600 0.003 0.000 1.366 415 M HN 0.309 nan 8.290 nan 0.000 0.517 416 V N -2.100 117.730 119.914 -0.139 0.000 3.074 416 V HA 0.637 4.756 4.120 -0.001 0.000 0.314 416 V C 0.808 176.762 176.094 -0.233 0.000 1.117 416 V CA -0.919 61.236 62.300 -0.241 0.000 1.014 416 V CB 2.552 34.001 31.823 -0.623 0.000 1.057 416 V HN 0.199 nan 8.190 nan 0.000 0.438 417 R N 0.319 120.726 120.500 -0.155 0.000 2.254 417 R HA 0.191 4.531 4.340 -0.001 0.000 0.195 417 R C 0.277 176.573 176.300 -0.007 0.000 0.957 417 R CA 0.562 56.636 56.100 -0.044 0.000 1.024 417 R CB -0.476 29.844 30.300 0.033 0.000 0.952 417 R HN 0.886 nan 8.270 nan 0.000 0.484 418 Y N -0.202 120.132 120.300 0.056 0.000 2.354 418 Y HA 0.556 5.105 4.550 -0.001 0.000 0.322 418 Y C 0.096 176.038 175.900 0.070 0.000 1.253 418 Y CA -1.456 56.675 58.100 0.051 0.000 1.272 418 Y CB 0.572 39.071 38.460 0.066 0.000 1.255 418 Y HN -0.339 nan 8.280 nan 0.000 0.500 419 R N 2.141 122.803 120.500 0.270 0.000 2.540 419 R HA 0.513 4.852 4.340 -0.001 0.000 0.287 419 R C -0.955 175.534 176.300 0.315 0.000 0.980 419 R CA -0.923 55.315 56.100 0.229 0.000 0.966 419 R CB 1.367 31.752 30.300 0.143 0.000 1.106 419 R HN 0.692 nan 8.270 nan 0.000 0.480 420 L N 2.152 123.544 121.223 0.282 0.000 2.380 420 L HA 0.172 4.511 4.340 -0.001 0.000 0.273 420 L C 1.219 178.185 176.870 0.161 0.000 1.138 420 L CA 0.113 55.096 54.840 0.239 0.000 0.832 420 L CB 0.919 43.119 42.059 0.235 0.000 1.124 420 L HN 0.928 nan 8.230 nan 0.000 0.454 421 T N -0.599 114.028 114.554 0.120 0.000 2.964 421 T HA 0.259 4.609 4.350 -0.001 0.000 0.161 421 T C 0.433 175.168 174.700 0.058 0.000 0.859 421 T CA -0.707 61.444 62.100 0.085 0.000 1.015 421 T CB 0.222 69.136 68.868 0.076 0.000 2.138 421 T HN 0.156 nan 8.240 nan 0.000 0.367 422 K N 1.574 121.999 120.400 0.043 0.000 2.336 422 K HA 0.504 4.824 4.320 -0.001 0.000 0.262 422 K C -0.246 176.377 176.600 0.038 0.000 0.992 422 K CA 0.011 56.315 56.287 0.029 0.000 0.927 422 K CB 0.027 32.532 32.500 0.007 0.000 0.956 422 K HN 0.580 nan 8.250 nan 0.000 0.495 423 I N 0.234 120.822 120.570 0.030 0.000 2.569 423 I HA 0.406 4.575 4.170 -0.001 0.000 0.290 423 I C -0.724 175.419 176.117 0.043 0.000 1.088 423 I CA -1.030 60.295 61.300 0.041 0.000 1.047 423 I CB 2.276 40.288 38.000 0.020 0.000 1.237 423 I HN 0.514 nan 8.210 nan 0.000 0.421 424 A N 5.499 128.368 122.820 0.082 0.000 2.386 424 A HA 0.912 5.232 4.320 -0.001 0.000 0.311 424 A C -1.151 176.517 177.584 0.141 0.000 1.068 424 A CA -0.594 51.496 52.037 0.089 0.000 0.743 424 A CB 1.852 20.883 19.000 0.052 0.000 1.258 424 A HN 0.421 nan 8.150 nan 0.000 0.429 425 V N 1.908 121.886 119.914 0.107 0.000 2.588 425 V HA 0.449 4.568 4.120 -0.001 0.000 0.304 425 V C -1.187 174.981 176.094 0.124 0.000 1.042 425 V CA -0.547 61.810 62.300 0.095 0.000 0.877 425 V CB 2.000 33.850 31.823 0.046 0.000 0.996 425 V HN 0.926 nan 8.190 nan 0.000 0.425 426 D N 3.370 123.861 120.400 0.151 0.000 2.460 426 D HA 0.227 4.867 4.640 -0.001 0.000 0.232 426 D C 0.659 177.021 176.300 0.103 0.000 1.079 426 D CA -0.456 53.642 54.000 0.163 0.000 0.864 426 D CB 1.035 42.010 40.800 0.293 0.000 1.048 426 D HN 0.589 nan 8.370 nan 0.000 0.523 427 N N 2.668 121.419 118.700 0.084 0.000 2.383 427 N HA 0.064 4.804 4.740 -0.001 0.000 0.192 427 N C 0.024 175.572 175.510 0.063 0.000 1.141 427 N CA -0.219 52.870 53.050 0.065 0.000 0.851 427 N CB 0.453 38.978 38.487 0.062 0.000 0.976 427 N HN 0.195 nan 8.380 nan 0.000 0.465 428 A N -0.618 122.251 122.820 0.081 0.000 2.795 428 A HA 0.721 5.040 4.320 -0.001 0.000 0.282 428 A C 0.218 177.861 177.584 0.099 0.000 0.964 428 A CA -0.420 51.664 52.037 0.079 0.000 1.045 428 A CB -0.295 18.750 19.000 0.075 0.000 1.174 428 A HN 0.383 nan 8.150 nan 0.000 0.493 429 A N 0.148 123.020 122.820 0.086 0.000 2.388 429 A HA 0.735 5.055 4.320 -0.001 0.000 0.257 429 A C 0.922 178.541 177.584 0.059 0.000 1.095 429 A CA 0.562 52.618 52.037 0.033 0.000 0.791 429 A CB -0.027 18.840 19.000 -0.223 0.000 1.029 429 A HN 2.319 nan 8.150 nan 0.000 0.489 430 G N 2.111 110.937 108.800 0.044 0.000 2.612 430 G HA2 0.032 3.992 3.960 -0.001 0.000 0.686 430 G HA3 0.032 3.992 3.960 -0.001 0.000 0.686 430 G C -1.865 173.044 174.900 0.016 0.000 1.274 430 G CA -0.274 44.877 45.100 0.085 0.000 0.849 430 G HN 0.496 nan 8.290 nan 0.000 0.595 431 P HA -0.108 nan 4.420 nan 0.000 0.216 431 P C 0.947 177.977 177.300 -0.451 0.000 1.154 431 P CA 1.989 64.848 63.100 -0.402 0.000 0.865 431 P CB -0.089 31.222 31.700 -0.649 0.000 0.789 432 Y N -1.624 118.719 120.300 0.072 0.000 2.555 432 Y HA 0.239 4.789 4.550 -0.001 0.000 0.259 432 Y C 0.628 176.537 175.900 0.016 0.000 1.179 432 Y CA -0.479 57.641 58.100 0.033 0.000 1.230 432 Y CB -1.039 37.433 38.460 0.020 0.000 1.146 432 Y HN -0.038 nan 8.280 nan 0.000 0.526 433 Q N 1.701 121.568 119.800 0.111 0.000 2.435 433 Q HA -0.256 4.084 4.340 -0.001 0.000 0.312 433 Q C -0.272 175.761 176.000 0.055 0.000 1.333 433 Q CA 0.824 56.676 55.803 0.082 0.000 0.883 433 Q CB -1.623 27.157 28.738 0.069 0.000 1.170 433 Q HN 0.733 nan 8.270 nan 0.000 0.443 434 N N -0.896 117.811 118.700 0.011 0.000 2.390 434 N HA 0.050 4.790 4.740 -0.001 0.000 0.259 434 N C -0.881 174.452 175.510 -0.295 0.000 1.395 434 N CA -0.264 52.722 53.050 -0.107 0.000 0.852 434 N CB 0.562 38.980 38.487 -0.116 0.000 1.371 434 N HN 0.236 nan 8.380 nan 0.000 0.491 435 H N -0.086 118.983 119.070 -0.000 0.000 2.621 435 H HA 0.487 5.042 4.556 -0.001 0.000 0.360 435 H C -0.512 174.784 175.328 -0.053 0.000 1.163 435 H CA -0.206 55.818 56.048 -0.041 0.000 1.194 435 H CB 2.238 31.953 29.762 -0.079 0.000 1.649 435 H HN -0.057 nan 8.280 nan 0.000 0.532 436 T N 2.572 117.161 114.554 0.058 0.000 2.791 436 T HA 0.291 4.641 4.350 -0.001 0.000 0.288 436 T C -0.030 174.623 174.700 -0.080 0.000 0.999 436 T CA -0.577 61.525 62.100 0.003 0.000 0.952 436 T CB 0.741 69.616 68.868 0.012 0.000 0.938 436 T HN 0.165 nan 8.240 nan 0.000 0.444 437 V N 4.494 124.345 119.914 -0.105 0.000 2.398 437 V HA 0.490 4.610 4.120 -0.001 0.000 0.286 437 V C -0.062 175.841 176.094 -0.319 0.000 1.026 437 V CA -0.700 61.451 62.300 -0.247 0.000 0.868 437 V CB 1.741 33.445 31.823 -0.198 0.000 0.982 437 V HN 0.657 nan 8.190 nan 0.000 0.443 438 V N 5.476 124.993 119.914 -0.662 0.000 2.459 438 V HA 0.534 4.653 4.120 -0.001 0.000 0.295 438 V C -0.675 175.022 176.094 -0.661 0.000 1.029 438 V CA -0.512 61.390 62.300 -0.663 0.000 0.874 438 V CB 1.595 32.775 31.823 -1.072 0.000 0.985 438 V HN 0.660 nan 8.190 nan 0.000 0.438 439 F N 4.767 124.601 119.950 -0.193 0.000 2.458 439 F HA 0.663 5.189 4.527 -0.001 0.000 0.336 439 F C -0.041 175.725 175.800 -0.057 0.000 1.114 439 F CA -0.549 57.397 58.000 -0.091 0.000 0.987 439 F CB 1.572 40.546 39.000 -0.043 0.000 1.130 439 F HN 0.175 nan 8.300 nan 0.000 0.458 440 L N 3.033 124.340 121.223 0.141 0.000 2.341 440 L HA 0.720 5.060 4.340 -0.001 0.000 0.278 440 L C 0.401 177.335 176.870 0.106 0.000 1.005 440 L CA -0.735 54.167 54.840 0.103 0.000 0.818 440 L CB 1.699 43.796 42.059 0.063 0.000 1.259 440 L HN 0.737 nan 8.230 nan 0.000 0.418 441 G N 1.047 109.892 108.800 0.075 0.000 2.511 441 G HA2 0.722 4.681 3.960 -0.001 0.000 0.316 441 G HA3 0.722 4.681 3.960 -0.001 0.000 0.316 441 G C -0.632 174.296 174.900 0.045 0.000 1.210 441 G CA -0.248 44.874 45.100 0.038 0.000 0.969 441 G HN 0.638 nan 8.290 nan 0.000 0.492 442 S N -1.990 113.716 115.700 0.010 0.000 2.671 442 S HA 0.369 4.839 4.470 -0.001 0.000 0.277 442 S C 0.502 175.118 174.600 0.027 0.000 1.165 442 S CA -0.192 58.027 58.200 0.032 0.000 0.822 442 S CB 1.819 64.962 63.200 -0.095 0.000 1.150 442 S HN 0.800 nan 8.310 nan 0.000 0.479 443 E N -0.134 120.106 120.200 0.067 0.000 2.511 443 E HA 0.076 4.426 4.350 -0.001 0.000 0.196 443 E C 0.362 176.990 176.600 0.048 0.000 1.066 443 E CA 0.203 56.637 56.400 0.056 0.000 0.871 443 E CB -0.145 29.583 29.700 0.046 0.000 0.863 443 E HN 0.357 nan 8.360 nan 0.000 0.520 444 K N 0.069 120.478 120.400 0.017 0.000 2.438 444 K HA 0.169 4.489 4.320 -0.001 0.000 0.205 444 K C 0.833 177.439 176.600 0.009 0.000 1.033 444 K CA 0.399 56.680 56.287 -0.010 0.000 1.089 444 K CB 1.321 33.819 32.500 -0.004 0.000 0.857 444 K HN 0.301 nan 8.250 nan 0.000 0.522 445 G N 1.770 110.637 108.800 0.111 0.000 2.157 445 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.248 445 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.248 445 G C 0.124 175.135 174.900 0.187 0.000 0.979 445 G CA -0.132 45.169 45.100 0.334 0.000 0.650 445 G HN 0.280 nan 8.290 nan 0.000 0.529 446 I N 1.772 122.327 120.570 -0.026 0.000 2.396 446 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 446 I C 0.447 176.560 176.117 -0.007 0.000 0.999 446 I CA -0.981 60.283 61.300 -0.061 0.000 1.310 446 I CB 1.119 38.946 38.000 -0.289 0.000 1.404 446 I HN -0.097 nan 8.210 nan 0.000 0.496 447 I N 6.650 127.275 120.570 0.090 0.000 2.412 447 I HA 0.376 4.545 4.170 -0.001 0.000 0.296 447 I C -0.402 175.833 176.117 0.196 0.000 0.987 447 I CA -0.684 60.702 61.300 0.143 0.000 1.180 447 I CB 1.550 39.664 38.000 0.190 0.000 1.340 447 I HN 0.284 nan 8.210 nan 0.000 0.455 448 L N 5.905 127.246 121.223 0.197 0.000 2.329 448 L HA 0.467 4.806 4.340 -0.001 0.000 0.279 448 L C 0.015 176.980 176.870 0.158 0.000 1.014 448 L CA -0.315 54.674 54.840 0.248 0.000 0.814 448 L CB 1.377 43.499 42.059 0.104 0.000 1.257 448 L HN 0.491 nan 8.230 nan 0.000 0.424 449 K N 3.826 124.341 120.400 0.192 0.000 2.323 449 K HA 0.679 4.999 4.320 -0.001 0.000 0.259 449 K C -1.538 175.098 176.600 0.059 0.000 0.947 449 K CA -0.464 55.748 56.287 -0.125 0.000 0.819 449 K CB 1.259 33.641 32.500 -0.197 0.000 1.109 449 K HN 0.449 nan 8.250 nan 0.000 0.429 450 F N 2.295 122.105 119.950 -0.235 0.000 2.626 450 F HA 0.547 5.073 4.527 -0.001 0.000 0.311 450 F C -2.154 173.564 175.800 -0.137 0.000 1.088 450 F CA -1.442 56.487 58.000 -0.118 0.000 0.949 450 F CB 0.939 39.837 39.000 -0.170 0.000 1.322 450 F HN 0.295 nan 8.300 nan 0.000 0.461 451 L N 3.406 124.726 121.223 0.162 0.000 2.272 451 L HA 0.820 5.159 4.340 -0.001 0.000 0.289 451 L C -0.164 176.789 176.870 0.140 0.000 1.032 451 L CA -0.613 54.240 54.840 0.020 0.000 0.810 451 L CB 0.974 43.031 42.059 -0.003 0.000 1.205 451 L HN 0.969 nan 8.230 nan 0.000 0.422 452 A N 5.893 128.719 122.820 0.010 0.000 2.476 452 A HA 0.330 4.649 4.320 -0.001 0.000 0.275 452 A C 0.185 177.689 177.584 -0.132 0.000 1.133 452 A CA -0.417 51.589 52.037 -0.052 0.000 0.797 452 A CB -0.343 18.596 19.000 -0.102 0.000 1.081 452 A HN 0.681 nan 8.150 nan 0.000 0.510 453 R N 1.950 122.332 120.500 -0.198 0.000 2.623 453 R HA 0.323 4.662 4.340 -0.001 0.000 0.271 453 R C -0.371 175.790 176.300 -0.231 0.000 1.043 453 R CA 0.341 56.332 56.100 -0.181 0.000 1.083 453 R CB 0.173 30.358 30.300 -0.191 0.000 0.974 453 R HN 0.682 nan 8.270 nan 0.000 0.436 454 I N 0.257 120.745 120.570 -0.137 0.000 2.730 454 I HA 0.450 4.620 4.170 -0.001 0.000 0.298 454 I C 0.818 176.886 176.117 -0.080 0.000 1.089 454 I CA -0.094 61.137 61.300 -0.116 0.000 1.041 454 I CB 2.245 40.198 38.000 -0.079 0.000 1.235 454 I HN 0.808 nan 8.210 nan 0.000 0.423 455 G N 3.346 112.108 108.800 -0.063 0.000 2.475 455 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.223 455 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.223 455 G C -0.450 174.429 174.900 -0.036 0.000 1.201 455 G CA 0.063 45.139 45.100 -0.041 0.000 0.962 455 G HN 0.765 nan 8.290 nan 0.000 0.586 461 N N 2.218 120.749 118.700 -0.282 0.000 2.994 461 N HA 0.541 5.281 4.740 -0.001 0.000 0.306 461 N C 0.698 176.020 175.510 -0.313 0.000 1.348 461 N CA 1.215 54.127 53.050 -0.230 0.000 1.109 461 N CB 0.460 38.865 38.487 -0.137 0.000 1.415 461 N HN 0.904 nan 8.380 nan 0.000 0.529 462 G N -0.200 108.260 108.800 -0.568 0.000 2.503 462 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.235 462 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.235 462 G C -0.720 173.929 174.900 -0.418 0.000 1.179 462 G CA -0.095 44.721 45.100 -0.474 0.000 0.944 462 G HN 1.234 nan 8.290 nan 0.000 0.580 463 S N -1.467 114.113 115.700 -0.200 0.000 2.565 463 S HA 0.702 5.171 4.470 -0.001 0.000 0.269 463 S C -1.486 173.122 174.600 0.013 0.000 1.153 463 S CA 0.185 58.345 58.200 -0.068 0.000 0.835 463 S CB 1.934 64.951 63.200 -0.304 0.000 1.122 463 S HN 2.224 nan 8.310 nan 0.000 0.462 464 L N 2.161 123.469 121.223 0.142 0.000 2.349 464 L HA 0.702 5.041 4.340 -0.001 0.000 0.278 464 L C -1.371 175.685 176.870 0.309 0.000 0.996 464 L CA -0.672 54.265 54.840 0.162 0.000 0.825 464 L CB 1.344 43.461 42.059 0.097 0.000 1.243 464 L HN 0.817 nan 8.230 nan 0.000 0.412 465 F N 6.081 126.111 119.950 0.133 0.000 2.439 465 F HA 0.275 4.802 4.527 -0.001 0.000 0.356 465 F C 0.548 176.409 175.800 0.102 0.000 1.161 465 F CA -0.493 57.611 58.000 0.173 0.000 1.151 465 F CB 0.332 39.469 39.000 0.228 0.000 1.222 465 F HN 0.593 nan 8.300 nan 0.000 0.558 466 L N 2.769 124.176 121.223 0.306 0.000 2.162 466 L HA 0.146 4.486 4.340 -0.001 0.000 0.205 466 L C 0.536 177.371 176.870 -0.059 0.000 1.086 466 L CA 0.716 55.596 54.840 0.068 0.000 0.778 466 L CB 0.032 42.119 42.059 0.047 0.000 0.928 466 L HN 0.511 nan 8.230 nan 0.000 0.446 467 E N -0.497 119.663 120.200 -0.067 0.000 2.388 467 E HA 0.176 4.525 4.350 -0.001 0.000 0.282 467 E C -1.531 175.062 176.600 -0.011 0.000 1.026 467 E CA -0.432 55.906 56.400 -0.103 0.000 0.820 467 E CB 2.047 31.763 29.700 0.027 0.000 1.226 467 E HN 0.061 nan 8.360 nan 0.000 0.432 468 E N 4.751 124.912 120.200 -0.065 0.000 2.248 468 E HA 0.595 4.945 4.350 -0.001 0.000 0.267 468 E C -1.255 175.375 176.600 0.049 0.000 0.877 468 E CA -0.669 55.789 56.400 0.097 0.000 0.759 468 E CB 1.326 31.090 29.700 0.106 0.000 1.182 468 E HN 0.474 nan 8.360 nan 0.000 0.418 469 M N 2.438 122.099 119.600 0.101 0.000 2.284 469 M HA 0.419 4.898 4.480 -0.001 0.000 0.281 469 M C -1.322 175.043 176.300 0.109 0.000 1.083 469 M CA -1.091 54.261 55.300 0.087 0.000 0.965 469 M CB 1.614 34.303 32.600 0.149 0.000 1.717 469 M HN 0.260 nan 8.290 nan 0.000 0.479 470 N N 2.643 121.395 118.700 0.088 0.000 2.401 470 N HA 0.356 5.095 4.740 -0.001 0.000 0.255 470 N C 0.363 175.972 175.510 0.165 0.000 1.110 470 N CA -0.407 52.716 53.050 0.121 0.000 0.949 470 N CB 1.458 40.011 38.487 0.110 0.000 1.110 470 N HN 0.729 nan 8.380 nan 0.000 0.490 471 V N 2.553 122.606 119.914 0.232 0.000 3.565 471 V HA 0.308 4.427 4.120 -0.001 0.000 0.260 471 V C 0.691 176.909 176.094 0.207 0.000 1.231 471 V CA -0.227 62.232 62.300 0.264 0.000 1.100 471 V CB -1.369 30.650 31.823 0.327 0.000 0.807 471 V HN 0.538 nan 8.190 nan 0.000 0.454 472 Y N 3.490 123.827 120.300 0.060 0.000 2.717 472 Y HA 0.234 4.783 4.550 -0.001 0.000 0.330 472 Y C 0.496 176.283 175.900 -0.188 0.000 1.217 472 Y CA 0.637 58.565 58.100 -0.287 0.000 1.506 472 Y CB 0.288 38.555 38.460 -0.321 0.000 1.268 472 Y HN 0.410 nan 8.280 nan 0.000 0.561 473 N N 8.274 126.487 118.700 -0.811 0.000 2.626 473 N HA 0.282 5.021 4.740 -0.001 0.000 0.242 473 N C -2.407 172.784 175.510 -0.533 0.000 1.005 473 N CA -2.370 50.402 53.050 -0.462 0.000 0.905 473 N CB 1.539 39.837 38.487 -0.315 0.000 1.128 473 N HN 0.339 nan 8.380 nan 0.000 0.512 474 P HA -0.144 nan 4.420 nan 0.000 0.216 474 P C 0.986 178.256 177.300 -0.050 0.000 1.150 474 P CA 1.073 64.170 63.100 -0.006 0.000 0.837 474 P CB 0.469 32.233 31.700 0.106 0.000 0.786 475 E N -0.202 119.955 120.200 -0.071 0.000 2.150 475 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 475 E C 1.393 177.961 176.600 -0.053 0.000 0.985 475 E CA 0.994 57.367 56.400 -0.046 0.000 0.814 475 E CB -0.025 29.645 29.700 -0.051 0.000 0.752 475 E HN 0.034 nan 8.360 nan 0.000 0.466 476 K N -0.699 119.636 120.400 -0.107 0.000 2.354 476 K HA 0.114 4.433 4.320 -0.001 0.000 0.194 476 K C 1.539 178.120 176.600 -0.031 0.000 1.045 476 K CA 0.296 56.523 56.287 -0.101 0.000 1.026 476 K CB 0.540 32.957 32.500 -0.139 0.000 0.866 476 K HN 0.217 nan 8.250 nan 0.000 0.530 477 c N 0.395 118.925 118.600 -0.117 0.000 3.188 477 c HA 0.246 4.816 4.570 -0.001 0.000 0.315 477 c C 0.852 174.927 174.090 -0.023 0.000 1.285 477 c CA -0.327 55.921 56.329 -0.134 0.000 1.729 477 c CB 0.234 42.321 42.510 -0.706 0.000 2.257 477 c HN 0.096 nan 8.230 nan 0.000 0.645 478 S N 1.678 117.413 115.700 0.058 0.000 2.592 478 S HA 0.576 5.046 4.470 -0.001 0.000 0.305 478 S C -0.702 173.963 174.600 0.108 0.000 1.118 478 S CA -0.250 57.988 58.200 0.063 0.000 1.075 478 S CB -0.363 62.905 63.200 0.113 0.000 1.107 478 S HN 0.636 nan 8.310 nan 0.000 0.503 479 Y N -1.113 119.182 120.300 -0.007 0.000 2.670 479 Y HA 0.617 5.167 4.550 -0.001 0.000 0.334 479 Y C -0.189 175.697 175.900 -0.022 0.000 1.185 479 Y CA -1.497 56.593 58.100 -0.016 0.000 1.053 479 Y CB 0.283 38.727 38.460 -0.028 0.000 1.298 479 Y HN 0.332 nan 8.280 nan 0.000 0.459 480 D N 0.750 121.244 120.400 0.157 0.000 2.751 480 D HA -0.123 4.517 4.640 -0.001 0.000 0.233 480 D C 1.114 177.380 176.300 -0.057 0.000 1.149 480 D CA 2.520 56.549 54.000 0.048 0.000 0.682 480 D CB -1.293 39.527 40.800 0.034 0.000 1.068 480 D HN 1.870 nan 8.370 nan 0.000 0.429 481 G N -1.836 106.945 108.800 -0.033 0.000 2.153 481 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.252 481 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.252 481 G C 0.275 175.133 174.900 -0.070 0.000 0.994 481 G CA 0.354 45.432 45.100 -0.037 0.000 0.698 481 G HN 0.969 nan 8.290 nan 0.000 0.521 482 V N -0.076 119.761 119.914 -0.129 0.000 2.409 482 V HA 0.622 4.742 4.120 -0.001 0.000 0.291 482 V C 0.143 176.179 176.094 -0.097 0.000 1.020 482 V CA -0.346 61.875 62.300 -0.131 0.000 0.848 482 V CB 1.869 33.574 31.823 -0.197 0.000 0.990 482 V HN 0.386 nan 8.190 nan 0.000 0.430 483 E N 3.312 123.478 120.200 -0.058 0.000 3.037 483 E HA 0.292 4.642 4.350 -0.001 0.000 0.220 483 E C -1.251 175.284 176.600 -0.109 0.000 1.142 483 E CA -0.378 55.992 56.400 -0.051 0.000 0.888 483 E CB 0.594 30.262 29.700 -0.053 0.000 1.329 483 E HN 0.695 nan 8.360 nan 0.000 0.409 484 D N 2.969 123.330 120.400 -0.064 0.000 2.453 484 D HA 0.176 4.816 4.640 -0.001 0.000 0.238 484 D C -0.073 176.225 176.300 -0.003 0.000 1.088 484 D CA -0.431 53.549 54.000 -0.034 0.000 0.854 484 D CB 1.151 41.969 40.800 0.029 0.000 1.076 484 D HN 0.268 nan 8.370 nan 0.000 0.533 485 K N 2.429 122.751 120.400 -0.130 0.000 2.410 485 K HA 0.192 4.512 4.320 -0.001 0.000 0.200 485 K C 0.355 177.112 176.600 0.263 0.000 1.023 485 K CA -0.261 55.967 56.287 -0.098 0.000 1.149 485 K CB 0.603 32.866 32.500 -0.394 0.000 0.859 485 K HN 0.119 nan 8.250 nan 0.000 0.514 486 R N 1.573 122.189 120.500 0.193 0.000 2.404 486 R HA 0.136 4.475 4.340 -0.001 0.000 0.315 486 R C -0.073 176.275 176.300 0.080 0.000 1.032 486 R CA 0.011 56.189 56.100 0.130 0.000 0.992 486 R CB 0.195 30.544 30.300 0.081 0.000 0.959 486 R HN 0.085 nan 8.270 nan 0.000 0.428 487 I N 4.495 125.016 120.570 -0.081 0.000 2.587 487 I HA -0.117 4.052 4.170 -0.001 0.000 0.284 487 I C 1.512 177.547 176.117 -0.136 0.000 1.134 487 I CA 0.300 61.406 61.300 -0.323 0.000 1.410 487 I CB 0.719 38.529 38.000 -0.316 0.000 1.392 487 I HN 0.555 nan 8.210 nan 0.000 0.545 488 M N 4.727 124.251 119.600 -0.127 0.000 2.501 488 M HA 0.278 4.758 4.480 -0.001 0.000 0.261 488 M C 0.815 177.107 176.300 -0.013 0.000 1.129 488 M CA 0.286 55.575 55.300 -0.019 0.000 1.126 488 M CB -0.290 32.327 32.600 0.028 0.000 1.359 488 M HN 0.705 nan 8.290 nan 0.000 0.471 489 G N 0.724 109.491 108.800 -0.054 0.000 2.579 489 G HA2 0.626 4.586 3.960 -0.001 0.000 0.292 489 G HA3 0.626 4.586 3.960 -0.001 0.000 0.292 489 G C -1.544 173.326 174.900 -0.051 0.000 1.484 489 G CA -0.789 44.297 45.100 -0.025 0.000 0.813 489 G HN 0.085 nan 8.290 nan 0.000 0.515 490 M N 1.049 120.633 119.600 -0.027 0.000 2.386 490 M HA 0.460 4.939 4.480 -0.001 0.000 0.293 490 M C -1.322 174.974 176.300 -0.006 0.000 1.120 490 M CA -0.894 54.385 55.300 -0.036 0.000 0.909 490 M CB 2.811 35.375 32.600 -0.059 0.000 1.661 490 M HN 0.304 nan 8.290 nan 0.000 0.452 491 Q N 3.197 123.009 119.800 0.020 0.000 2.309 491 Q HA 0.517 4.857 4.340 -0.001 0.000 0.270 491 Q C -1.420 174.609 176.000 0.048 0.000 1.023 491 Q CA -0.476 55.356 55.803 0.048 0.000 0.758 491 Q CB 3.190 31.970 28.738 0.069 0.000 1.247 491 Q HN 0.776 nan 8.270 nan 0.000 0.455 492 L N 2.613 123.834 121.223 -0.003 0.000 2.331 492 L HA 0.276 4.615 4.340 -0.001 0.000 0.278 492 L C -0.601 176.282 176.870 0.022 0.000 1.106 492 L CA 0.079 54.891 54.840 -0.047 0.000 0.824 492 L CB 0.651 42.687 42.059 -0.040 0.000 1.142 492 L HN 0.466 nan 8.230 nan 0.000 0.443 493 D N 3.126 123.536 120.400 0.017 0.000 2.440 493 D HA 0.279 4.919 4.640 -0.001 0.000 0.252 493 D C 0.825 177.126 176.300 0.002 0.000 1.180 493 D CA -0.422 53.611 54.000 0.056 0.000 0.894 493 D CB 1.021 41.927 40.800 0.176 0.000 1.111 493 D HN 0.416 nan 8.370 nan 0.000 0.544 494 R N 2.271 122.777 120.500 0.011 0.000 2.083 494 R HA -0.141 4.199 4.340 -0.001 0.000 0.237 494 R C 1.868 178.163 176.300 -0.009 0.000 1.137 494 R CA 1.541 57.643 56.100 0.005 0.000 0.951 494 R CB -0.214 30.110 30.300 0.040 0.000 0.851 494 R HN 0.453 nan 8.270 nan 0.000 0.434 495 A N 1.038 123.863 122.820 0.008 0.000 2.019 495 A HA -0.132 4.188 4.320 -0.001 0.000 0.219 495 A C 1.978 179.560 177.584 -0.004 0.000 1.164 495 A CA 1.763 53.803 52.037 0.006 0.000 0.644 495 A CB -0.256 18.753 19.000 0.016 0.000 0.805 495 A HN 0.437 nan 8.150 nan 0.000 0.449 496 S N -1.808 113.891 115.700 -0.001 0.000 2.572 496 S HA 0.408 4.878 4.470 -0.001 0.000 0.228 496 S C 1.208 175.750 174.600 -0.097 0.000 0.963 496 S CA 0.756 58.949 58.200 -0.011 0.000 0.939 496 S CB -0.434 62.801 63.200 0.059 0.000 0.804 496 S HN 1.791 nan 8.310 nan 0.000 0.480 497 G N 0.850 109.571 108.800 -0.131 0.000 2.321 497 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.287 497 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.287 497 G C 0.010 174.721 174.900 -0.315 0.000 1.018 497 G CA 0.509 45.472 45.100 -0.230 0.000 0.855 497 G HN 0.708 nan 8.290 nan 0.000 0.507 498 S N -1.407 114.107 115.700 -0.311 0.000 2.599 498 S HA 0.735 5.204 4.470 -0.001 0.000 0.287 498 S C -0.712 173.576 174.600 -0.520 0.000 1.105 498 S CA -0.780 57.127 58.200 -0.489 0.000 0.899 498 S CB 2.321 65.118 63.200 -0.671 0.000 1.100 498 S HN 0.868 nan 8.310 nan 0.000 0.482 499 L N 2.609 123.447 121.223 -0.642 0.000 2.316 499 L HA 0.537 4.877 4.340 -0.001 0.000 0.280 499 L C -1.825 174.701 176.870 -0.573 0.000 1.006 499 L CA -0.344 54.159 54.840 -0.562 0.000 0.836 499 L CB 0.222 41.854 42.059 -0.712 0.000 1.221 499 L HN 0.632 nan 8.230 nan 0.000 0.418 500 Y N 4.407 124.593 120.300 -0.190 0.000 2.393 500 Y HA 0.456 5.005 4.550 -0.001 0.000 0.338 500 Y C 0.114 175.944 175.900 -0.117 0.000 1.029 500 Y CA -0.362 57.659 58.100 -0.132 0.000 1.239 500 Y CB 1.094 39.490 38.460 -0.107 0.000 1.170 500 Y HN 0.273 nan 8.280 nan 0.000 0.515 501 V N 4.052 123.971 119.914 0.008 0.000 2.350 501 V HA 0.601 4.720 4.120 -0.001 0.000 0.285 501 V C 0.012 176.073 176.094 -0.054 0.000 1.014 501 V CA -1.075 61.186 62.300 -0.065 0.000 0.831 501 V CB 1.010 32.787 31.823 -0.077 0.000 1.000 501 V HN 0.880 nan 8.190 nan 0.000 0.433 502 A N 5.516 128.270 122.820 -0.110 0.000 2.328 502 A HA 0.861 5.180 4.320 -0.001 0.000 0.284 502 A C -0.747 176.698 177.584 -0.232 0.000 1.160 502 A CA -0.079 51.935 52.037 -0.038 0.000 0.818 502 A CB 0.254 19.267 19.000 0.022 0.000 1.087 502 A HN 0.617 nan 8.150 nan 0.000 0.504 503 F N 0.544 120.562 119.950 0.113 0.000 2.585 503 F HA 0.445 4.972 4.527 -0.001 0.000 0.350 503 F C 1.859 177.724 175.800 0.109 0.000 1.074 503 F CA -0.022 58.053 58.000 0.125 0.000 1.032 503 F CB 1.412 40.518 39.000 0.176 0.000 1.330 503 F HN 0.542 nan 8.300 nan 0.000 0.495 504 S N -0.398 115.485 115.700 0.305 0.000 2.370 504 S HA -0.175 4.295 4.470 -0.001 0.000 0.226 504 S C 1.700 176.390 174.600 0.150 0.000 1.033 504 S CA 2.244 60.553 58.200 0.182 0.000 1.011 504 S CB -0.522 62.755 63.200 0.128 0.000 0.852 504 S HN 0.808 nan 8.310 nan 0.000 0.457 505 T N -2.116 112.517 114.554 0.132 0.000 3.054 505 T HA 0.403 4.753 4.350 -0.001 0.000 0.255 505 T C 0.428 175.208 174.700 0.134 0.000 1.035 505 T CA 0.107 62.241 62.100 0.057 0.000 0.941 505 T CB -0.708 68.037 68.868 -0.205 0.000 1.026 505 T HN 0.629 nan 8.240 nan 0.000 0.533 506 c N -0.584 118.121 118.600 0.174 0.000 3.312 506 c HA 0.843 5.412 4.570 -0.001 0.000 0.332 506 c C -1.328 172.929 174.090 0.278 0.000 1.340 506 c CA -1.090 55.331 56.329 0.153 0.000 1.265 506 c CB 1.323 43.867 42.510 0.056 0.000 1.563 506 c HN 0.151 nan 8.230 nan 0.000 0.471 507 V N 1.995 122.079 119.914 0.283 0.000 2.588 507 V HA 0.577 4.697 4.120 -0.001 0.000 0.304 507 V C -0.263 175.975 176.094 0.239 0.000 1.042 507 V CA -0.329 62.140 62.300 0.282 0.000 0.877 507 V CB 1.678 33.651 31.823 0.250 0.000 0.996 507 V HN 0.818 nan 8.190 nan 0.000 0.425 508 I N 3.746 124.449 120.570 0.222 0.000 2.377 508 I HA 0.453 4.623 4.170 -0.001 0.000 0.293 508 I C 0.098 176.231 176.117 0.028 0.000 0.987 508 I CA -0.704 60.685 61.300 0.148 0.000 1.185 508 I CB 1.785 39.910 38.000 0.208 0.000 1.341 508 I HN 0.549 nan 8.210 nan 0.000 0.455 509 K N 6.262 126.632 120.400 -0.050 0.000 2.250 509 K HA 0.398 4.718 4.320 -0.001 0.000 0.280 509 K C -1.171 175.165 176.600 -0.440 0.000 1.098 509 K CA -0.352 55.745 56.287 -0.317 0.000 0.916 509 K CB 0.707 33.086 32.500 -0.201 0.000 1.209 509 K HN 0.420 nan 8.250 nan 0.000 0.461 510 V N 7.063 126.644 119.914 -0.556 0.000 2.383 510 V HA 0.244 4.364 4.120 -0.001 0.000 0.275 510 V C -2.152 173.537 176.094 -0.675 0.000 1.036 510 V CA -2.282 59.595 62.300 -0.704 0.000 0.889 510 V CB 1.077 32.633 31.823 -0.444 0.000 0.985 510 V HN 0.762 nan 8.190 nan 0.000 0.459 511 P HA 0.155 nan 4.420 nan 0.000 0.268 511 P C 0.995 178.078 177.300 -0.362 0.000 1.204 511 P CA 0.037 62.864 63.100 -0.455 0.000 0.768 511 P CB 0.677 32.181 31.700 -0.327 0.000 0.842 512 L N 1.435 122.419 121.223 -0.399 0.000 2.083 512 L HA -0.007 4.332 4.340 -0.001 0.000 0.209 512 L C 1.316 178.063 176.870 -0.205 0.000 1.083 512 L CA 1.484 56.059 54.840 -0.441 0.000 0.752 512 L CB -0.622 40.931 42.059 -0.844 0.000 0.899 512 L HN 0.510 nan 8.230 nan 0.000 0.433 513 G N -0.802 107.923 108.800 -0.126 0.000 2.643 513 G HA2 0.469 4.429 3.960 -0.001 0.000 0.305 513 G HA3 0.469 4.429 3.960 -0.001 0.000 0.305 513 G C -0.603 174.387 174.900 0.150 0.000 1.387 513 G CA -0.598 44.584 45.100 0.138 0.000 0.982 513 G HN -0.025 nan 8.290 nan 0.000 0.501 514 R N 2.244 122.851 120.500 0.178 0.000 4.496 514 R HA 0.240 4.580 4.340 -0.001 0.000 0.211 514 R C 1.002 177.373 176.300 0.118 0.000 1.738 514 R CA -0.311 55.884 56.100 0.159 0.000 1.528 514 R CB -0.625 29.730 30.300 0.093 0.000 1.414 514 R HN 0.607 nan 8.270 nan 0.000 0.812 515 c N -0.003 118.719 118.600 0.204 0.000 2.508 515 c HA -0.040 4.529 4.570 -0.001 0.000 0.280 515 c C 2.143 176.352 174.090 0.199 0.000 1.262 515 c CA 0.319 56.801 56.329 0.255 0.000 1.706 515 c CB -0.086 42.588 42.510 0.273 0.000 2.078 515 c HN 0.606 nan 8.230 nan 0.000 0.480 516 E N 0.857 121.154 120.200 0.162 0.000 2.401 516 E HA -0.165 4.184 4.350 -0.001 0.000 0.199 516 E C 2.037 178.689 176.600 0.087 0.000 1.023 516 E CA 0.538 57.013 56.400 0.126 0.000 0.859 516 E CB -0.437 29.335 29.700 0.120 0.000 0.780 516 E HN 0.453 nan 8.360 nan 0.000 0.523 517 R N 1.117 121.619 120.500 0.005 0.000 2.133 517 R HA -0.206 4.133 4.340 -0.001 0.000 0.245 517 R C 1.889 178.079 176.300 -0.183 0.000 1.137 517 R CA 1.894 57.878 56.100 -0.193 0.000 0.947 517 R CB -0.761 29.233 30.300 -0.511 0.000 0.865 517 R HN 0.350 nan 8.270 nan 0.000 0.437 518 H N -0.481 118.621 119.070 0.053 0.000 2.561 518 H HA 0.120 4.675 4.556 -0.001 0.000 0.278 518 H C 1.544 176.938 175.328 0.110 0.000 1.014 518 H CA 0.859 56.947 56.048 0.067 0.000 1.211 518 H CB -0.432 29.380 29.762 0.082 0.000 1.365 518 H HN 0.506 nan 8.280 nan 0.000 0.594 519 G N 1.813 110.727 108.800 0.189 0.000 2.634 519 G HA2 -0.400 3.560 3.960 -0.001 0.000 0.318 519 G HA3 -0.400 3.560 3.960 -0.001 0.000 0.318 519 G C 0.775 175.815 174.900 0.233 0.000 1.207 519 G CA 0.790 45.986 45.100 0.160 0.000 0.987 519 G HN 0.454 nan 8.290 nan 0.000 0.547 520 K N -0.517 120.028 120.400 0.242 0.000 2.440 520 K HA 0.390 4.709 4.320 -0.001 0.000 0.206 520 K C 0.253 177.089 176.600 0.394 0.000 1.025 520 K CA 0.033 56.542 56.287 0.370 0.000 1.135 520 K CB 0.759 33.397 32.500 0.229 0.000 0.856 520 K HN 0.408 nan 8.250 nan 0.000 0.502 521 c N 2.508 121.261 118.600 0.255 0.000 2.256 521 c HA 0.174 4.743 4.570 -0.001 0.000 0.333 521 c C 1.853 175.838 174.090 -0.175 0.000 1.183 521 c CA -0.493 55.858 56.329 0.036 0.000 1.692 521 c CB -0.448 42.085 42.510 0.038 0.000 2.274 521 c HN 0.564 nan 8.230 nan 0.000 0.509 522 K N 4.052 124.027 120.400 -0.708 0.000 2.057 522 K HA -0.167 4.152 4.320 -0.001 0.000 0.207 522 K C 2.133 178.398 176.600 -0.557 0.000 1.049 522 K CA 1.637 57.195 56.287 -1.214 0.000 0.931 522 K CB -0.093 31.387 32.500 -1.699 0.000 0.714 522 K HN 0.801 nan 8.250 nan 0.000 0.440 523 K N 0.195 120.371 120.400 -0.374 0.000 2.032 523 K HA -0.158 4.162 4.320 -0.001 0.000 0.209 523 K C 1.941 178.414 176.600 -0.212 0.000 1.048 523 K CA 2.202 58.340 56.287 -0.248 0.000 0.927 523 K CB -0.257 32.139 32.500 -0.174 0.000 0.712 523 K HN 0.383 nan 8.250 nan 0.000 0.441 524 T N -1.461 112.984 114.554 -0.181 0.000 2.995 524 T HA -0.129 4.220 4.350 -0.001 0.000 0.269 524 T C 2.246 176.653 174.700 -0.489 0.000 1.091 524 T CA 1.034 63.008 62.100 -0.209 0.000 1.128 524 T CB -0.787 68.070 68.868 -0.019 0.000 0.891 524 T HN 0.414 nan 8.240 nan 0.000 0.492 525 c N 0.954 119.329 118.600 -0.374 0.000 2.453 525 c HA 0.098 4.668 4.570 -0.001 0.000 0.277 525 c C 2.542 176.473 174.090 -0.265 0.000 1.262 525 c CA 0.190 56.315 56.329 -0.340 0.000 1.718 525 c CB -1.414 41.131 42.510 0.058 0.000 2.031 525 c HN 0.546 nan 8.230 nan 0.000 0.480 526 I N 1.635 122.072 120.570 -0.221 0.000 2.353 526 I HA -0.037 4.132 4.170 -0.001 0.000 0.248 526 I C 2.865 178.885 176.117 -0.161 0.000 1.119 526 I CA 1.720 62.915 61.300 -0.175 0.000 1.417 526 I CB -1.792 36.101 38.000 -0.178 0.000 1.078 526 I HN 0.399 nan 8.210 nan 0.000 0.421 527 A N 1.089 123.804 122.820 -0.175 0.000 2.019 527 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 527 A C 2.490 179.998 177.584 -0.127 0.000 1.164 527 A CA 1.857 53.812 52.037 -0.136 0.000 0.644 527 A CB -0.701 18.226 19.000 -0.123 0.000 0.805 527 A HN 0.564 nan 8.150 nan 0.000 0.449 528 S N -0.645 114.950 115.700 -0.175 0.000 2.419 528 S HA -0.188 4.281 4.470 -0.001 0.000 0.233 528 S C 1.092 175.647 174.600 -0.074 0.000 1.016 528 S CA 0.931 59.062 58.200 -0.115 0.000 0.974 528 S CB -0.471 62.650 63.200 -0.131 0.000 0.786 528 S HN 0.615 nan 8.310 nan 0.000 0.492 529 R N 0.835 121.278 120.500 -0.094 0.000 3.641 529 R HA -0.133 4.206 4.340 -0.001 0.000 0.286 529 R C -1.089 175.144 176.300 -0.113 0.000 1.153 529 R CA 0.866 56.908 56.100 -0.096 0.000 0.775 529 R CB -2.346 27.910 30.300 -0.072 0.000 1.215 529 R HN 0.542 nan 8.270 nan 0.000 0.474 530 D N 0.127 120.474 120.400 -0.088 0.000 2.359 530 D HA 0.207 4.846 4.640 -0.001 0.000 0.230 530 D C -1.472 174.755 176.300 -0.121 0.000 1.118 530 D CA -2.630 51.328 54.000 -0.070 0.000 0.844 530 D CB 1.341 42.176 40.800 0.058 0.000 1.059 530 D HN -0.118 nan 8.370 nan 0.000 0.493 531 P HA -0.136 nan 4.420 nan 0.000 0.220 531 P C 0.509 177.726 177.300 -0.138 0.000 1.144 531 P CA 1.000 63.899 63.100 -0.334 0.000 0.800 531 P CB 0.009 31.393 31.700 -0.525 0.000 0.772 532 Y N -1.962 118.403 120.300 0.109 0.000 2.544 532 Y HA 0.063 4.612 4.550 -0.001 0.000 0.286 532 Y C 1.160 177.229 175.900 0.282 0.000 1.141 532 Y CA -0.539 57.667 58.100 0.177 0.000 1.299 532 Y CB -0.721 37.827 38.460 0.147 0.000 1.030 532 Y HN -0.040 nan 8.280 nan 0.000 0.543 533 c N -0.397 118.405 118.600 0.337 0.000 2.634 533 c HA 0.914 5.483 4.570 -0.001 0.000 0.313 533 c C 0.788 174.849 174.090 -0.049 0.000 1.198 533 c CA -0.891 55.593 56.329 0.259 0.000 1.605 533 c CB 1.153 43.789 42.510 0.210 0.000 2.196 533 c HN 0.482 nan 8.230 nan 0.000 0.486 534 G N 0.511 109.081 108.800 -0.385 0.000 2.692 534 G HA2 0.582 4.541 3.960 -0.001 0.000 0.291 534 G HA3 0.582 4.541 3.960 -0.001 0.000 0.291 534 G C -1.821 172.807 174.900 -0.454 0.000 1.423 534 G CA -0.302 44.210 45.100 -0.980 0.000 0.843 534 G HN 0.827 nan 8.290 nan 0.000 0.486 535 W N 2.107 123.133 121.300 -0.457 0.000 2.338 535 W HA 0.535 5.195 4.660 -0.001 0.000 0.307 535 W C -1.284 175.136 176.519 -0.164 0.000 1.167 535 W CA -0.592 56.617 57.345 -0.227 0.000 1.208 535 W CB 1.565 30.928 29.460 -0.162 0.000 1.228 535 W HN 0.226 nan 8.180 nan 0.000 0.499 536 V N 8.832 128.290 119.914 -0.759 0.000 2.284 536 V HA 0.110 4.229 4.120 -0.001 0.000 0.274 536 V C 1.344 177.040 176.094 -0.662 0.000 1.023 536 V CA -0.450 61.559 62.300 -0.484 0.000 0.808 536 V CB 0.834 32.492 31.823 -0.274 0.000 1.035 536 V HN 0.697 nan 8.190 nan 0.000 0.445 537 R N 2.137 122.414 120.500 -0.372 0.000 2.193 537 R HA -0.127 4.213 4.340 -0.001 0.000 0.229 537 R C 1.108 177.345 176.300 -0.106 0.000 1.110 537 R CA 1.431 57.447 56.100 -0.140 0.000 0.988 537 R CB 0.086 30.469 30.300 0.138 0.000 0.871 537 R HN 0.555 nan 8.270 nan 0.000 0.458 538 E N 1.307 121.441 120.200 -0.109 0.000 2.204 538 E HA -0.118 4.232 4.350 -0.001 0.000 0.194 538 E C 1.705 178.247 176.600 -0.097 0.000 0.989 538 E CA 1.797 58.154 56.400 -0.071 0.000 0.824 538 E CB 0.175 29.844 29.700 -0.051 0.000 0.756 538 E HN 0.595 nan 8.360 nan 0.000 0.477 539 S N -1.732 113.865 115.700 -0.170 0.000 2.540 539 S HA 0.276 4.745 4.470 -0.001 0.000 0.222 539 S C 1.469 175.939 174.600 -0.216 0.000 1.008 539 S CA 0.073 58.172 58.200 -0.168 0.000 0.939 539 S CB 0.625 63.719 63.200 -0.177 0.000 0.865 539 S HN 0.268 nan 8.310 nan 0.000 0.499 540 G N 1.553 110.167 108.800 -0.310 0.000 2.295 540 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.287 540 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.287 540 G C 0.008 174.544 174.900 -0.607 0.000 1.055 540 G CA 0.441 45.362 45.100 -0.298 0.000 0.922 540 G HN 1.707 nan 8.290 nan 0.000 0.503 541 S N -2.388 112.623 115.700 -1.148 0.000 2.588 541 S HA 0.598 5.067 4.470 -0.001 0.000 0.269 541 S C -0.196 173.924 174.600 -0.800 0.000 1.157 541 S CA -0.363 57.340 58.200 -0.828 0.000 0.824 541 S CB 1.767 64.788 63.200 -0.299 0.000 1.126 541 S HN 1.308 nan 8.310 nan 0.000 0.464 542 c N 2.220 120.725 118.600 -0.158 0.000 2.576 542 c HA 0.813 5.382 4.570 -0.001 0.000 0.401 542 c C 0.685 174.779 174.090 0.006 0.000 1.314 542 c CA 0.760 57.127 56.329 0.065 0.000 1.855 542 c CB -1.174 41.515 42.510 0.298 0.000 2.537 542 c HN 1.119 nan 8.230 nan 0.000 0.578 543 A N 4.005 126.827 122.820 0.002 0.000 2.527 543 A HA 0.782 5.101 4.320 -0.001 0.000 0.293 543 A C -0.870 176.829 177.584 0.191 0.000 1.117 543 A CA -0.619 51.418 52.037 0.001 0.000 0.723 543 A CB 0.808 19.756 19.000 -0.088 0.000 1.313 543 A HN 1.046 nan 8.150 nan 0.000 0.411 544 H N -0.483 118.725 119.070 0.230 0.000 2.505 544 H HA 0.592 5.148 4.556 -0.001 0.000 0.355 544 H C -0.094 175.337 175.328 0.172 0.000 1.179 544 H CA -0.974 55.223 56.048 0.248 0.000 1.343 544 H CB 0.242 30.084 29.762 0.133 0.000 1.501 544 H HN 0.548 nan 8.280 nan 0.000 0.569 545 L N 1.650 122.986 121.223 0.188 0.000 2.601 545 L HA 0.067 4.407 4.340 -0.001 0.000 0.277 545 L C 0.242 177.034 176.870 -0.131 0.000 1.219 545 L CA 0.947 55.579 54.840 -0.347 0.000 0.915 545 L CB 0.102 42.001 42.059 -0.267 0.000 1.160 545 L HN 0.761 nan 8.230 nan 0.000 0.494 546 S N 6.139 121.686 115.700 -0.255 0.000 2.259 546 S HA 0.602 5.071 4.470 -0.001 0.000 0.181 546 S C -2.034 172.490 174.600 -0.127 0.000 1.589 546 S CA -1.122 57.014 58.200 -0.106 0.000 1.234 546 S CB -0.047 63.106 63.200 -0.078 0.000 1.119 546 S HN 0.707 nan 8.310 nan 0.000 0.458 551 L N 0.563 121.787 121.223 0.001 0.000 2.585 551 L HA 0.579 4.918 4.340 -0.001 0.000 0.260 551 L C 0.833 177.738 176.870 0.058 0.000 1.085 551 L CA -0.515 54.337 54.840 0.020 0.000 0.913 551 L CB 1.031 43.093 42.059 0.005 0.000 1.638 551 L HN 0.971 nan 8.230 nan 0.000 0.531 552 T N -2.107 112.488 114.554 0.068 0.000 2.899 552 T HA 0.444 4.793 4.350 -0.001 0.000 0.295 552 T C -0.638 174.175 174.700 0.188 0.000 1.033 552 T CA -0.087 62.079 62.100 0.111 0.000 1.084 552 T CB 0.559 69.478 68.868 0.084 0.000 0.979 552 T HN 0.288 nan 8.240 nan 0.000 0.532 553 F N 1.032 120.990 119.950 0.015 0.000 3.228 553 F HA 0.363 4.890 4.527 -0.001 0.000 0.385 553 F C -0.477 175.356 175.800 0.055 0.000 1.247 553 F CA -0.791 57.217 58.000 0.013 0.000 1.211 553 F CB 1.189 40.179 39.000 -0.017 0.000 1.719 553 F HN 0.858 nan 8.300 nan 0.000 0.630 554 E N 5.808 125.922 120.200 -0.143 0.000 2.200 554 E HA 0.454 4.803 4.350 -0.001 0.000 0.283 554 E C -1.093 175.398 176.600 -0.182 0.000 1.015 554 E CA -0.287 56.076 56.400 -0.062 0.000 0.819 554 E CB 1.062 30.801 29.700 0.064 0.000 1.081 554 E HN 0.768 nan 8.360 nan 0.000 0.397 555 Q N 2.804 122.546 119.800 -0.097 0.000 2.511 555 Q HA 0.397 4.736 4.340 -0.001 0.000 0.289 555 Q C -1.518 174.464 176.000 -0.031 0.000 1.021 555 Q CA -1.032 54.712 55.803 -0.098 0.000 0.785 555 Q CB 1.630 30.293 28.738 -0.124 0.000 1.472 555 Q HN 0.291 nan 8.270 nan 0.000 0.411 556 D N 1.101 121.472 120.400 -0.049 0.000 2.468 556 D HA 0.331 4.970 4.640 -0.001 0.000 0.272 556 D C -0.275 176.001 176.300 -0.040 0.000 1.221 556 D CA -0.399 53.584 54.000 -0.027 0.000 0.860 556 D CB 0.448 41.224 40.800 -0.039 0.000 1.190 556 D HN 0.656 nan 8.370 nan 0.000 0.509 557 I N 1.135 121.683 120.570 -0.038 0.000 2.353 557 I HA -0.135 4.035 4.170 -0.001 0.000 0.248 557 I C 1.873 177.975 176.117 -0.025 0.000 1.119 557 I CA 0.899 62.147 61.300 -0.087 0.000 1.417 557 I CB 0.231 38.078 38.000 -0.256 0.000 1.078 557 I HN 0.188 nan 8.210 nan 0.000 0.421 558 E N 0.773 120.990 120.200 0.027 0.000 2.051 558 E HA -0.057 4.293 4.350 -0.001 0.000 0.192 558 E C 0.603 177.203 176.600 -0.000 0.000 0.991 558 E CA 1.115 57.532 56.400 0.029 0.000 0.799 558 E CB 0.001 29.726 29.700 0.040 0.000 0.748 558 E HN 0.407 nan 8.360 nan 0.000 0.449 559 R N -1.578 118.916 120.500 -0.010 0.000 2.892 559 R HA 0.614 4.953 4.340 -0.001 0.000 0.265 559 R C 0.470 176.750 176.300 -0.034 0.000 1.025 559 R CA -0.238 55.849 56.100 -0.021 0.000 0.982 559 R CB 1.504 31.792 30.300 -0.020 0.000 1.185 559 R HN 0.089 nan 8.270 nan 0.000 0.484 560 G N 0.518 109.293 108.800 -0.040 0.000 3.609 560 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.280 560 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.280 560 G C -0.126 174.736 174.900 -0.063 0.000 1.155 560 G CA -0.243 44.824 45.100 -0.055 0.000 0.876 560 G HN 0.395 nan 8.290 nan 0.000 0.535 561 N N 1.797 120.463 118.700 -0.057 0.000 2.429 561 N HA 0.015 4.755 4.740 -0.001 0.000 0.271 561 N C 1.081 176.545 175.510 -0.077 0.000 1.272 561 N CA 0.551 53.566 53.050 -0.059 0.000 0.921 561 N CB 0.914 39.373 38.487 -0.047 0.000 1.128 561 N HN 0.197 nan 8.380 nan 0.000 0.481 562 T N -0.983 113.523 114.554 -0.080 0.000 3.215 562 T HA 0.170 4.519 4.350 -0.001 0.000 0.271 562 T C -0.131 174.517 174.700 -0.087 0.000 1.012 562 T CA -0.706 61.334 62.100 -0.100 0.000 0.899 562 T CB -0.022 68.781 68.868 -0.109 0.000 1.089 562 T HN 0.144 nan 8.240 nan 0.000 0.552 563 D N 2.087 122.445 120.400 -0.070 0.000 2.458 563 D HA 0.431 5.071 4.640 -0.001 0.000 0.243 563 D C 1.504 177.765 176.300 -0.065 0.000 1.146 563 D CA 1.598 55.562 54.000 -0.059 0.000 0.877 563 D CB 0.349 41.121 40.800 -0.047 0.000 1.176 563 D HN 0.486 nan 8.370 nan 0.000 0.461 564 G N 1.159 109.922 108.800 -0.061 0.000 2.136 564 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.242 564 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.242 564 G C 0.151 175.003 174.900 -0.081 0.000 0.989 564 G CA 0.155 45.218 45.100 -0.062 0.000 0.682 564 G HN 0.418 nan 8.290 nan 0.000 0.522 565 L N -1.008 120.158 121.223 -0.097 0.000 2.242 565 L HA 0.896 5.235 4.340 -0.001 0.000 0.261 565 L C 1.085 177.892 176.870 -0.106 0.000 1.052 565 L CA -0.571 54.194 54.840 -0.125 0.000 0.972 565 L CB 1.561 43.515 42.059 -0.175 0.000 1.562 565 L HN 1.260 nan 8.230 nan 0.000 0.509 566 G N 0.117 108.844 108.800 -0.121 0.000 2.619 566 G HA2 0.000 3.960 3.960 -0.001 0.000 0.686 566 G HA3 0.000 3.960 3.960 -0.001 0.000 0.686 566 G C -1.887 172.970 174.900 -0.071 0.000 1.256 566 G CA -0.756 44.288 45.100 -0.092 0.000 0.826 566 G HN 0.521 nan 8.290 nan 0.000 0.619 567 D N -1.501 118.868 120.400 -0.052 0.000 2.781 567 D HA 0.822 5.462 4.640 -0.001 0.000 0.295 567 D C -0.097 176.184 176.300 -0.033 0.000 1.143 567 D CA 0.276 54.247 54.000 -0.048 0.000 1.076 567 D CB 1.848 42.625 40.800 -0.037 0.000 1.444 567 D HN 0.794 nan 8.370 nan 0.000 0.567 568 c N 0.000 118.586 118.600 -0.023 0.000 2.653 568 c HA 0.000 4.569 4.570 -0.001 0.000 0.325 568 c CA 0.000 56.325 56.329 -0.006 0.000 1.963 568 c CB 0.000 42.513 42.510 0.005 0.000 2.134 568 c HN 0.000 nan 8.230 nan 0.000 0.568