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 2rcm_1_B DATA FIRST_RESID 52 DATA SEQUENCE LPIRNIPGNY GLPIVGPIKD RWDYFYDQGA EEFFKSRIRK YNSTVYRVNM DATA SEQUENCE PPGAFIAENP QVVALLDGKS FPVLFDVDKV EKKDLLTGTY MPSTELTGGY DATA SEQUENCE RILSYLDPSE PKHEKLKNLL FFLLKSSRNR IFPEFQATYS ELFDSLEKEL DATA SEQUENCE SLKGKADFGG SSDGTAFNFL ARAFYGTNPA DTKLKADAPG LITKWVLFNL DATA SEQUENCE HPLLSIGLPR VIEEPLIHTF SLPPALVKSD YQRLYEFFLE SAGEILVEAD DATA SEQUENCE KLGISREEAT HNLLFATCFN TWGGMKILFP NMVKRIGRAG HQVHNRLAEE DATA SEQUENCE IRSVIKSNGG ELTMGAIEKM ELTKSVVYEC LRFEPPVTAQ YGRAKKDLVI DATA SEQUENCE ESHDAAFKVK AGEMLYGYQP LATRDPKIFD RADEFVPERF VGEEGEKLLR DATA SEQUENCE HVLWSNGPET ETPTVGNKQC AGKDFVVLVA RLFVIEIFRR YDSFDIEVGT DATA SEQUENCE SPLGSSVNFS SLRKA 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 52 L HA 0.000 nan 4.340 nan 0.000 0.249 52 L C 0.000 176.819 176.870 -0.085 0.000 1.165 52 L CA 0.000 54.804 54.840 -0.059 0.000 0.813 52 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 53 P HA 0.251 nan 4.420 nan 0.000 0.271 53 P C -0.693 176.495 177.300 -0.187 0.000 1.220 53 P CA 0.249 63.282 63.100 -0.113 0.000 0.768 53 P CB 0.765 32.408 31.700 -0.095 0.000 0.848 54 I N 4.019 124.494 120.570 -0.158 0.000 2.396 54 I HA 0.173 4.343 4.170 -0.001 0.000 0.289 54 I C 1.244 177.246 176.117 -0.191 0.000 1.056 54 I CA 0.368 61.551 61.300 -0.194 0.000 1.365 54 I CB 0.164 38.097 38.000 -0.110 0.000 1.407 54 I HN 0.206 nan 8.210 nan 0.000 0.509 55 R N 4.183 124.504 120.500 -0.299 0.000 2.807 55 R HA 0.451 4.790 4.340 -0.001 0.000 0.276 55 R C -0.621 175.687 176.300 0.014 0.000 0.979 55 R CA -1.253 54.751 56.100 -0.159 0.000 0.928 55 R CB 1.172 31.360 30.300 -0.187 0.000 1.191 55 R HN 0.412 nan 8.270 nan 0.000 0.471 56 N N 1.347 120.094 118.700 0.079 0.000 2.454 56 N HA 0.061 4.801 4.740 -0.001 0.000 0.254 56 N C -0.172 175.487 175.510 0.249 0.000 1.228 56 N CA 0.304 53.430 53.050 0.127 0.000 0.900 56 N CB 0.439 38.963 38.487 0.062 0.000 1.089 56 N HN 0.376 nan 8.380 nan 0.000 0.449 57 I N 3.987 124.677 120.570 0.201 0.000 2.517 57 I HA 0.083 4.253 4.170 -0.001 0.000 0.285 57 I C -1.507 174.570 176.117 -0.066 0.000 1.106 57 I CA -1.291 60.042 61.300 0.056 0.000 1.402 57 I CB 0.382 38.338 38.000 -0.074 0.000 1.399 57 I HN 0.310 nan 8.210 nan 0.000 0.535 58 P HA 0.435 nan 4.420 nan 0.000 0.277 58 P C -0.056 176.901 177.300 -0.572 0.000 1.271 58 P CA 0.050 62.998 63.100 -0.254 0.000 0.795 58 P CB 1.076 32.677 31.700 -0.165 0.000 1.101 59 G N -0.015 108.284 108.800 -0.836 0.000 2.587 59 G HA2 0.069 4.029 3.960 -0.001 0.000 0.686 59 G HA3 0.069 4.029 3.960 -0.001 0.000 0.686 59 G C -1.300 173.273 174.900 -0.544 0.000 1.236 59 G CA -0.577 43.891 45.100 -1.052 0.000 0.820 59 G HN 1.020 nan 8.290 nan 0.000 0.645 60 N N -1.063 117.386 118.700 -0.418 0.000 2.647 60 N HA 0.432 5.171 4.740 -0.001 0.000 0.266 60 N C -0.174 175.124 175.510 -0.354 0.000 1.373 60 N CA -1.071 51.742 53.050 -0.396 0.000 0.807 60 N CB 1.254 39.643 38.487 -0.163 0.000 1.513 60 N HN 0.541 nan 8.380 nan 0.000 0.505 61 Y N -0.190 120.104 120.300 -0.010 0.000 2.457 61 Y HA 0.293 4.842 4.550 -0.001 0.000 0.263 61 Y C 1.714 177.605 175.900 -0.015 0.000 1.164 61 Y CA 0.338 58.434 58.100 -0.007 0.000 1.274 61 Y CB 0.114 38.566 38.460 -0.013 0.000 1.097 61 Y HN 0.951 nan 8.280 nan 0.000 0.523 62 G N 1.019 109.865 108.800 0.077 0.000 2.698 62 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.233 62 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.233 62 G C -0.532 174.388 174.900 0.032 0.000 1.352 62 G CA -0.712 44.411 45.100 0.038 0.000 0.879 62 G HN 0.143 nan 8.290 nan 0.000 0.567 63 L N 1.555 122.781 121.223 0.006 0.000 2.452 63 L HA 0.343 4.683 4.340 -0.001 0.000 0.267 63 L C -1.546 175.315 176.870 -0.015 0.000 1.188 63 L CA -1.468 53.370 54.840 -0.004 0.000 0.821 63 L CB 0.456 42.506 42.059 -0.015 0.000 1.102 63 L HN 0.372 nan 8.230 nan 0.000 0.470 64 P HA 0.138 nan 4.420 nan 0.000 0.266 64 P C 0.691 177.956 177.300 -0.058 0.000 1.195 64 P CA 0.087 63.167 63.100 -0.033 0.000 0.768 64 P CB 0.591 32.276 31.700 -0.025 0.000 0.838 65 I N -0.087 120.433 120.570 -0.084 0.000 4.497 65 I HA -0.397 3.772 4.170 -0.001 0.000 0.059 65 I C 1.677 177.706 176.117 -0.147 0.000 0.607 65 I CA 1.659 62.886 61.300 -0.121 0.000 0.958 65 I CB -1.601 36.337 38.000 -0.104 0.000 0.864 65 I HN 0.126 nan 8.210 nan 0.000 0.166 66 V N 0.956 120.797 119.914 -0.122 0.000 2.379 66 V HA -0.142 3.978 4.120 -0.001 0.000 0.245 66 V C 2.461 178.462 176.094 -0.156 0.000 1.044 66 V CA 2.478 64.689 62.300 -0.150 0.000 1.036 66 V CB -1.095 30.670 31.823 -0.097 0.000 0.664 66 V HN 0.685 nan 8.190 nan 0.000 0.453 67 G N 1.069 109.813 108.800 -0.094 0.000 2.480 67 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 67 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 67 G C -0.160 174.696 174.900 -0.073 0.000 1.200 67 G CA 1.276 46.342 45.100 -0.057 0.000 0.782 67 G HN 0.522 nan 8.290 nan 0.000 0.554 68 P HA -0.058 nan 4.420 nan 0.000 0.216 68 P C 1.878 179.061 177.300 -0.195 0.000 1.150 68 P CA 0.681 63.713 63.100 -0.112 0.000 0.837 68 P CB 0.005 31.627 31.700 -0.131 0.000 0.786 69 I N 0.166 120.559 120.570 -0.294 0.000 2.179 69 I HA -0.216 3.954 4.170 -0.001 0.000 0.242 69 I C 2.331 178.039 176.117 -0.682 0.000 1.088 69 I CA 1.570 62.556 61.300 -0.524 0.000 1.357 69 I CB -1.507 36.103 38.000 -0.649 0.000 1.051 69 I HN 0.045 nan 8.210 nan 0.000 0.409 70 K N 0.784 120.900 120.400 -0.473 0.000 2.032 70 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 70 K C 1.700 178.292 176.600 -0.013 0.000 1.048 70 K CA 1.914 58.063 56.287 -0.230 0.000 0.927 70 K CB -0.029 32.408 32.500 -0.105 0.000 0.712 70 K HN 0.223 nan 8.250 nan 0.000 0.441 71 D N -0.009 120.391 120.400 -0.000 0.000 2.178 71 D HA -0.157 4.483 4.640 -0.001 0.000 0.201 71 D C 1.968 178.302 176.300 0.056 0.000 0.980 71 D CA 0.806 54.901 54.000 0.158 0.000 0.842 71 D CB -0.082 40.833 40.800 0.191 0.000 0.948 71 D HN 0.273 nan 8.370 nan 0.000 0.472 72 R N -0.176 120.282 120.500 -0.071 0.000 2.073 72 R HA -0.113 4.227 4.340 -0.001 0.000 0.229 72 R C 2.036 178.480 176.300 0.240 0.000 1.120 72 R CA 0.821 56.870 56.100 -0.086 0.000 0.967 72 R CB -0.157 30.127 30.300 -0.027 0.000 0.862 72 R HN 0.164 nan 8.270 nan 0.000 0.436 73 W N 1.677 123.078 121.300 0.169 0.000 2.358 73 W HA -0.145 4.515 4.660 -0.000 0.000 0.303 73 W C 1.784 178.424 176.519 0.202 0.000 1.208 73 W CA 0.531 58.061 57.345 0.309 0.000 1.274 73 W CB -1.099 28.522 29.460 0.268 0.000 1.138 73 W HN 0.161 nan 8.180 nan 0.000 0.515 74 D N -1.276 119.338 120.400 0.357 0.000 2.104 74 D HA -0.223 4.416 4.640 -0.001 0.000 0.194 74 D C 1.922 178.281 176.300 0.097 0.000 0.994 74 D CA 1.472 55.631 54.000 0.265 0.000 0.830 74 D CB -0.863 40.153 40.800 0.361 0.000 0.959 74 D HN 0.187 nan 8.370 nan 0.000 0.452 75 Y N -0.328 119.755 120.300 -0.362 0.000 2.145 75 Y HA -0.194 4.355 4.550 -0.001 0.000 0.286 75 Y C 2.036 177.552 175.900 -0.640 0.000 1.145 75 Y CA 1.645 59.206 58.100 -0.897 0.000 1.148 75 Y CB -0.338 37.233 38.460 -1.482 0.000 0.981 75 Y HN -0.059 nan 8.280 nan 0.000 0.507 76 F N -2.875 116.912 119.950 -0.272 0.000 2.374 76 F HA -0.051 4.476 4.527 -0.000 0.000 0.291 76 F C 1.250 176.693 175.800 -0.595 0.000 1.084 76 F CA 0.736 58.392 58.000 -0.573 0.000 1.413 76 F CB -0.096 38.290 39.000 -1.022 0.000 1.099 76 F HN -0.015 nan 8.300 nan 0.000 0.534 77 Y N -1.435 118.999 120.300 0.223 0.000 2.673 77 Y HA 0.072 4.622 4.550 -0.000 0.000 0.278 77 Y C 1.632 177.573 175.900 0.069 0.000 1.127 77 Y CA -0.233 57.938 58.100 0.119 0.000 1.261 77 Y CB -0.119 38.380 38.460 0.066 0.000 1.412 77 Y HN -0.212 nan 8.280 nan 0.000 0.496 78 D N -0.207 120.338 120.400 0.240 0.000 2.333 78 D HA -0.024 4.615 4.640 -0.001 0.000 0.208 78 D C 1.252 177.609 176.300 0.096 0.000 0.984 78 D CA 0.989 55.084 54.000 0.159 0.000 0.873 78 D CB 0.361 41.269 40.800 0.180 0.000 0.935 78 D HN 0.511 nan 8.370 nan 0.000 0.521 79 Q N -0.729 119.111 119.800 0.068 0.000 2.519 79 Q HA 0.334 4.674 4.340 -0.001 0.000 0.248 79 Q C 0.654 176.629 176.000 -0.041 0.000 0.804 79 Q CA 0.372 56.190 55.803 0.024 0.000 0.979 79 Q CB 2.107 30.876 28.738 0.051 0.000 1.282 79 Q HN 0.139 nan 8.270 nan 0.000 0.558 80 G N 0.978 109.697 108.800 -0.135 0.000 2.733 80 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 80 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 80 G C 0.494 175.149 174.900 -0.407 0.000 1.373 80 G CA -0.158 44.781 45.100 -0.269 0.000 0.838 80 G HN 0.328 nan 8.290 nan 0.000 0.588 81 A N -0.028 122.415 122.820 -0.629 0.000 1.865 81 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 81 A C 2.179 179.578 177.584 -0.307 0.000 1.191 81 A CA 2.533 54.134 52.037 -0.727 0.000 0.623 81 A CB -0.574 18.084 19.000 -0.570 0.000 0.826 81 A HN 1.118 nan 8.150 nan 0.000 0.444 82 E N -0.830 119.307 120.200 -0.106 0.000 2.051 82 E HA -0.267 4.083 4.350 -0.001 0.000 0.192 82 E C 2.043 178.689 176.600 0.076 0.000 0.991 82 E CA 1.551 57.992 56.400 0.069 0.000 0.799 82 E CB -0.098 29.700 29.700 0.163 0.000 0.748 82 E HN 0.595 nan 8.360 nan 0.000 0.449 83 E N 0.057 120.268 120.200 0.017 0.000 2.106 83 E HA -0.171 4.179 4.350 -0.001 0.000 0.192 83 E C 1.722 178.320 176.600 -0.004 0.000 0.984 83 E CA 0.913 57.324 56.400 0.019 0.000 0.806 83 E CB -0.519 29.184 29.700 0.006 0.000 0.750 83 E HN 0.337 nan 8.360 nan 0.000 0.458 84 F N -0.114 119.690 119.950 -0.245 0.000 2.091 84 F HA -0.234 4.293 4.527 -0.000 0.000 0.299 84 F C 1.590 177.223 175.800 -0.278 0.000 1.103 84 F CA 1.770 59.563 58.000 -0.344 0.000 1.228 84 F CB -0.368 38.286 39.000 -0.576 0.000 0.984 84 F HN 0.062 nan 8.300 nan 0.000 0.477 85 F N 0.716 120.732 119.950 0.111 0.000 2.128 85 F HA -0.030 4.497 4.527 -0.000 0.000 0.295 85 F C 2.347 178.214 175.800 0.112 0.000 1.100 85 F CA 1.344 59.424 58.000 0.133 0.000 1.260 85 F CB -1.056 38.032 39.000 0.147 0.000 1.009 85 F HN -0.164 nan 8.300 nan 0.000 0.476 86 K N 0.313 120.856 120.400 0.238 0.000 2.097 86 K HA -0.148 4.171 4.320 -0.001 0.000 0.206 86 K C 2.267 178.893 176.600 0.044 0.000 1.049 86 K CA 1.721 58.099 56.287 0.152 0.000 0.933 86 K CB -0.486 32.086 32.500 0.122 0.000 0.717 86 K HN 0.326 nan 8.250 nan 0.000 0.442 87 S N 1.036 116.712 115.700 -0.039 0.000 2.402 87 S HA -0.128 4.341 4.470 -0.001 0.000 0.229 87 S C 1.977 176.431 174.600 -0.244 0.000 1.021 87 S CA 0.821 58.944 58.200 -0.128 0.000 0.974 87 S CB -0.172 62.938 63.200 -0.151 0.000 0.800 87 S HN 0.244 nan 8.310 nan 0.000 0.484 88 R N 0.559 120.877 120.500 -0.304 0.000 2.119 88 R HA 0.323 4.662 4.340 -0.001 0.000 0.222 88 R C 2.259 178.304 176.300 -0.425 0.000 1.088 88 R CA 1.050 56.797 56.100 -0.590 0.000 0.984 88 R CB -0.469 29.349 30.300 -0.804 0.000 0.884 88 R HN 0.430 nan 8.270 nan 0.000 0.447 89 I N 0.763 121.339 120.570 0.009 0.000 2.151 89 I HA -0.351 3.819 4.170 -0.001 0.000 0.243 89 I C 2.292 178.426 176.117 0.028 0.000 1.080 89 I CA 1.599 63.005 61.300 0.178 0.000 1.339 89 I CB -0.248 37.894 38.000 0.236 0.000 1.039 89 I HN 0.172 nan 8.210 nan 0.000 0.409 90 R N 0.559 121.032 120.500 -0.045 0.000 2.066 90 R HA -0.182 4.158 4.340 -0.001 0.000 0.232 90 R C 2.360 178.572 176.300 -0.148 0.000 1.131 90 R CA 1.246 57.305 56.100 -0.068 0.000 0.955 90 R CB -0.383 29.878 30.300 -0.066 0.000 0.851 90 R HN 0.317 nan 8.270 nan 0.000 0.432 91 K N 0.317 120.527 120.400 -0.316 0.000 2.032 91 K HA -0.187 4.133 4.320 -0.001 0.000 0.209 91 K C 1.299 177.662 176.600 -0.395 0.000 1.048 91 K CA 1.647 57.652 56.287 -0.469 0.000 0.927 91 K CB -0.027 31.966 32.500 -0.846 0.000 0.712 91 K HN 0.167 nan 8.250 nan 0.000 0.441 92 Y N 0.136 120.340 120.300 -0.160 0.000 2.482 92 Y HA 0.168 4.718 4.550 -0.001 0.000 0.270 92 Y C 0.014 175.906 175.900 -0.013 0.000 1.152 92 Y CA 0.118 58.154 58.100 -0.106 0.000 1.292 92 Y CB -0.316 38.041 38.460 -0.171 0.000 1.070 92 Y HN 0.233 nan 8.280 nan 0.000 0.528 93 N N -0.174 118.590 118.700 0.107 0.000 2.735 93 N HA -0.205 4.535 4.740 -0.001 0.000 0.248 93 N C -0.456 175.156 175.510 0.170 0.000 1.083 93 N CA 0.847 53.964 53.050 0.112 0.000 0.703 93 N CB -1.068 37.472 38.487 0.089 0.000 1.005 93 N HN 0.163 nan 8.380 nan 0.000 0.550 94 S N -1.712 114.122 115.700 0.223 0.000 2.533 94 S HA 0.498 4.968 4.470 -0.001 0.000 0.271 94 S C 0.729 175.505 174.600 0.295 0.000 1.143 94 S CA -0.124 58.230 58.200 0.256 0.000 0.891 94 S CB 1.289 64.639 63.200 0.249 0.000 1.105 94 S HN 0.280 nan 8.310 nan 0.000 0.468 95 T N 0.350 115.028 114.554 0.206 0.000 3.107 95 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 95 T C 0.121 174.786 174.700 -0.058 0.000 1.096 95 T CA 0.015 62.199 62.100 0.140 0.000 1.012 95 T CB -0.184 68.770 68.868 0.143 0.000 0.977 95 T HN 0.336 nan 8.240 nan 0.000 0.527 96 V N 2.717 122.535 119.914 -0.161 0.000 2.483 96 V HA 0.688 4.807 4.120 -0.001 0.000 0.297 96 V C -1.070 174.782 176.094 -0.404 0.000 1.027 96 V CA -1.182 60.833 62.300 -0.475 0.000 0.855 96 V CB 0.830 32.132 31.823 -0.870 0.000 0.995 96 V HN 0.607 nan 8.190 nan 0.000 0.424 97 Y N 2.285 122.414 120.300 -0.285 0.000 2.656 97 Y HA 0.721 5.271 4.550 -0.001 0.000 0.334 97 Y C -0.625 175.134 175.900 -0.236 0.000 1.179 97 Y CA -1.753 56.156 58.100 -0.319 0.000 1.050 97 Y CB 1.151 39.423 38.460 -0.313 0.000 1.308 97 Y HN 0.436 nan 8.280 nan 0.000 0.456 98 R N 1.435 121.885 120.500 -0.084 0.000 2.390 98 R HA 0.701 5.041 4.340 -0.001 0.000 0.291 98 R C -1.258 175.064 176.300 0.036 0.000 1.070 98 R CA -0.864 55.164 56.100 -0.121 0.000 1.014 98 R CB 1.724 31.672 30.300 -0.586 0.000 1.007 98 R HN 0.659 nan 8.270 nan 0.000 0.466 99 V N 2.561 122.653 119.914 0.296 0.000 3.147 99 V HA 0.206 4.326 4.120 -0.001 0.000 0.299 99 V C -1.330 175.039 176.094 0.460 0.000 1.302 99 V CA -0.921 61.600 62.300 0.369 0.000 1.015 99 V CB 2.745 34.850 31.823 0.470 0.000 1.086 99 V HN 0.850 nan 8.190 nan 0.000 0.437 100 N N 5.281 124.206 118.700 0.375 0.000 2.514 100 N HA 0.533 5.273 4.740 -0.001 0.000 0.277 100 N C -0.608 174.953 175.510 0.084 0.000 1.126 100 N CA -0.377 52.784 53.050 0.186 0.000 0.978 100 N CB 0.690 39.244 38.487 0.111 0.000 1.106 100 N HN 0.503 nan 8.380 nan 0.000 0.461 101 M N 2.184 121.748 119.600 -0.061 0.000 2.578 101 M HA 0.480 4.959 4.480 -0.001 0.000 0.321 101 M C -2.319 173.786 176.300 -0.325 0.000 1.182 101 M CA -2.556 52.593 55.300 -0.251 0.000 0.965 101 M CB 1.112 33.590 32.600 -0.202 0.000 1.694 101 M HN 0.289 nan 8.290 nan 0.000 0.461 102 P HA 0.235 nan 4.420 nan 0.000 0.272 102 P C -2.096 175.068 177.300 -0.227 0.000 1.240 102 P CA -0.745 62.108 63.100 -0.411 0.000 0.791 102 P CB -0.080 31.247 31.700 -0.623 0.000 0.978 103 P HA 0.025 nan 4.420 nan 0.000 0.239 103 P C 0.934 178.132 177.300 -0.170 0.000 1.188 103 P CA 0.842 63.833 63.100 -0.181 0.000 0.794 103 P CB -0.089 31.446 31.700 -0.275 0.000 0.937 104 G N 1.236 109.936 108.800 -0.166 0.000 2.652 104 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.318 104 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.318 104 G C 0.825 175.595 174.900 -0.216 0.000 1.295 104 G CA 1.472 46.466 45.100 -0.176 0.000 0.999 104 G HN 0.629 nan 8.290 nan 0.000 0.548 105 A N -2.850 119.790 122.820 -0.299 0.000 5.483 105 A HA -0.111 4.209 4.320 -0.001 0.000 0.309 105 A C 1.194 178.436 177.584 -0.571 0.000 1.898 105 A CA 3.151 54.890 52.037 -0.496 0.000 0.716 105 A CB -1.341 17.430 19.000 -0.383 0.000 1.309 105 A HN 1.861 nan 8.150 nan 0.000 0.380 106 F N -0.121 119.646 119.950 -0.305 0.000 2.727 106 F HA 0.366 4.892 4.527 -0.001 0.000 0.302 106 F C 1.894 177.599 175.800 -0.159 0.000 1.097 106 F CA 0.671 58.509 58.000 -0.269 0.000 1.330 106 F CB -0.001 38.721 39.000 -0.464 0.000 1.084 106 F HN 0.340 nan 8.300 nan 0.000 0.578 107 I N -0.638 119.904 120.570 -0.047 0.000 2.494 107 I HA 0.081 4.250 4.170 -0.001 0.000 0.250 107 I C 1.246 177.356 176.117 -0.012 0.000 1.112 107 I CA 0.258 61.529 61.300 -0.049 0.000 1.438 107 I CB -0.196 37.676 38.000 -0.215 0.000 1.111 107 I HN -0.041 nan 8.210 nan 0.000 0.431 108 A N 1.307 124.098 122.820 -0.049 0.000 2.317 108 A HA 0.311 4.631 4.320 -0.001 0.000 0.327 108 A C 1.058 178.623 177.584 -0.032 0.000 1.178 108 A CA -0.558 51.477 52.037 -0.004 0.000 0.817 108 A CB 0.682 19.672 19.000 -0.015 0.000 1.189 108 A HN 0.273 nan 8.150 nan 0.000 0.489 109 E N 1.938 122.130 120.200 -0.013 0.000 2.106 109 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 109 E C -0.028 176.537 176.600 -0.058 0.000 0.984 109 E CA 1.264 57.650 56.400 -0.025 0.000 0.806 109 E CB -0.053 29.639 29.700 -0.013 0.000 0.750 109 E HN 0.489 nan 8.360 nan 0.000 0.458 110 N N 0.706 119.365 118.700 -0.069 0.000 2.558 110 N HA 0.176 4.916 4.740 -0.001 0.000 0.285 110 N C -2.431 173.012 175.510 -0.112 0.000 1.112 110 N CA -1.831 51.157 53.050 -0.102 0.000 0.857 110 N CB 1.988 40.418 38.487 -0.094 0.000 1.376 110 N HN -0.205 nan 8.380 nan 0.000 0.526 111 P HA 0.038 nan 4.420 nan 0.000 0.249 111 P C -0.473 176.740 177.300 -0.145 0.000 1.229 111 P CA 0.402 63.425 63.100 -0.128 0.000 0.788 111 P CB 0.509 32.127 31.700 -0.136 0.000 1.072 112 Q N 0.970 120.605 119.800 -0.275 0.000 2.295 112 Q HA 0.359 4.698 4.340 -0.001 0.000 0.259 112 Q C 0.256 176.160 176.000 -0.160 0.000 0.976 112 Q CA -0.294 55.208 55.803 -0.503 0.000 0.923 112 Q CB 1.537 29.608 28.738 -1.111 0.000 1.185 112 Q HN 0.040 nan 8.270 nan 0.000 0.410 113 V N -0.603 119.362 119.914 0.085 0.000 3.141 113 V HA 0.688 4.808 4.120 -0.001 0.000 0.312 113 V C -0.614 175.609 176.094 0.216 0.000 1.157 113 V CA -1.005 61.383 62.300 0.147 0.000 1.041 113 V CB 2.086 33.997 31.823 0.146 0.000 1.071 113 V HN 0.405 nan 8.190 nan 0.000 0.441 114 V N 2.026 122.006 119.914 0.110 0.000 2.347 114 V HA 0.775 4.894 4.120 -0.001 0.000 0.280 114 V C 0.693 176.756 176.094 -0.051 0.000 1.021 114 V CA 0.122 62.429 62.300 0.013 0.000 0.847 114 V CB 0.954 32.755 31.823 -0.037 0.000 0.990 114 V HN 1.349 nan 8.190 nan 0.000 0.444 115 A N 6.651 129.387 122.820 -0.141 0.000 2.331 115 A HA 0.788 5.108 4.320 -0.001 0.000 0.283 115 A C -0.488 176.884 177.584 -0.353 0.000 1.142 115 A CA -0.333 51.586 52.037 -0.198 0.000 0.812 115 A CB 0.272 19.077 19.000 -0.325 0.000 1.074 115 A HN 0.825 nan 8.150 nan 0.000 0.497 116 L N 3.568 124.605 121.223 -0.311 0.000 2.318 116 L HA 0.365 4.704 4.340 -0.001 0.000 0.277 116 L C -0.524 176.259 176.870 -0.145 0.000 1.008 116 L CA 0.000 54.686 54.840 -0.257 0.000 0.846 116 L CB 0.938 42.821 42.059 -0.293 0.000 1.220 116 L HN 0.680 nan 8.230 nan 0.000 0.423 117 L N 2.954 124.120 121.223 -0.095 0.000 3.209 117 L HA 0.328 4.668 4.340 -0.001 0.000 0.279 117 L C -0.773 176.140 176.870 0.071 0.000 1.301 117 L CA -0.265 54.573 54.840 -0.003 0.000 1.004 117 L CB 0.052 42.104 42.059 -0.012 0.000 1.402 117 L HN 0.641 nan 8.230 nan 0.000 0.577 118 D N -2.921 117.526 120.400 0.078 0.000 2.599 118 D HA 0.352 4.991 4.640 -0.001 0.000 0.252 118 D C 0.846 177.189 176.300 0.071 0.000 1.232 118 D CA -0.511 53.553 54.000 0.107 0.000 0.819 118 D CB 1.241 42.128 40.800 0.145 0.000 1.401 118 D HN -0.093 nan 8.370 nan 0.000 0.429 119 G N -0.555 108.296 108.800 0.086 0.000 2.744 119 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.211 119 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.211 119 G C 1.049 175.960 174.900 0.019 0.000 1.143 119 G CA 0.394 45.529 45.100 0.059 0.000 0.788 119 G HN 0.448 nan 8.290 nan 0.000 0.534 120 K N 0.692 121.002 120.400 -0.149 0.000 2.128 120 K HA -0.004 4.316 4.320 -0.001 0.000 0.202 120 K C 2.746 179.288 176.600 -0.097 0.000 1.050 120 K CA 1.169 57.344 56.287 -0.187 0.000 0.966 120 K CB 0.077 32.289 32.500 -0.480 0.000 0.759 120 K HN 0.346 nan 8.250 nan 0.000 0.454 121 S N -0.101 115.547 115.700 -0.087 0.000 2.406 121 S HA -0.083 4.386 4.470 -0.001 0.000 0.224 121 S C 1.884 176.434 174.600 -0.083 0.000 1.030 121 S CA 0.178 58.338 58.200 -0.066 0.000 0.958 121 S CB -0.654 62.511 63.200 -0.057 0.000 0.811 121 S HN 0.350 nan 8.310 nan 0.000 0.489 122 F N 4.034 123.856 119.950 -0.214 0.000 2.120 122 F HA 0.006 4.532 4.527 -0.001 0.000 0.300 122 F C -1.227 174.266 175.800 -0.513 0.000 1.095 122 F CA 1.246 59.062 58.000 -0.306 0.000 1.249 122 F CB -1.009 37.850 39.000 -0.235 0.000 0.995 122 F HN 0.242 nan 8.300 nan 0.000 0.480 123 P HA -0.132 nan 4.420 nan 0.000 0.231 123 P C 1.870 178.856 177.300 -0.524 0.000 1.158 123 P CA 0.816 63.550 63.100 -0.609 0.000 0.763 123 P CB -0.122 31.535 31.700 -0.072 0.000 0.805 124 V N -0.318 119.389 119.914 -0.344 0.000 2.568 124 V HA -0.224 3.896 4.120 -0.001 0.000 0.253 124 V C 1.823 177.739 176.094 -0.297 0.000 1.072 124 V CA 1.644 63.799 62.300 -0.242 0.000 1.084 124 V CB -0.958 30.757 31.823 -0.181 0.000 0.676 124 V HN 0.070 nan 8.190 nan 0.000 0.469 125 L N -0.883 120.023 121.223 -0.528 0.000 2.456 125 L HA -0.068 4.272 4.340 -0.001 0.000 0.224 125 L C 1.931 178.712 176.870 -0.149 0.000 1.148 125 L CA 0.924 55.501 54.840 -0.439 0.000 0.825 125 L CB -0.456 41.174 42.059 -0.715 0.000 0.937 125 L HN 0.354 nan 8.230 nan 0.000 0.450 126 F N -1.641 118.278 119.950 -0.051 0.000 2.714 126 F HA 0.116 4.643 4.527 -0.001 0.000 0.294 126 F C 1.151 176.940 175.800 -0.019 0.000 1.120 126 F CA -0.792 57.197 58.000 -0.017 0.000 1.398 126 F CB -0.396 38.609 39.000 0.009 0.000 1.120 126 F HN -0.083 nan 8.300 nan 0.000 0.589 127 D N 1.450 121.921 120.400 0.118 0.000 2.374 127 D HA 0.088 4.727 4.640 -0.001 0.000 0.240 127 D C 1.485 177.805 176.300 0.033 0.000 1.229 127 D CA 0.132 54.173 54.000 0.068 0.000 0.895 127 D CB 1.307 42.124 40.800 0.030 0.000 1.046 127 D HN 0.110 nan 8.370 nan 0.000 0.498 128 V N 1.584 121.519 119.914 0.034 0.000 2.867 128 V HA -0.139 3.981 4.120 -0.001 0.000 0.260 128 V C 1.166 177.260 176.094 -0.000 0.000 1.099 128 V CA 1.269 63.574 62.300 0.008 0.000 1.122 128 V CB -0.183 31.638 31.823 -0.003 0.000 0.708 128 V HN 0.270 nan 8.190 nan 0.000 0.490 129 D N 0.819 121.222 120.400 0.005 0.000 2.224 129 D HA -0.037 4.603 4.640 -0.001 0.000 0.205 129 D C 2.140 178.438 176.300 -0.004 0.000 0.965 129 D CA 1.389 55.389 54.000 0.001 0.000 0.852 129 D CB 0.042 40.845 40.800 0.005 0.000 0.947 129 D HN 0.575 nan 8.370 nan 0.000 0.494 130 K N -0.130 120.266 120.400 -0.007 0.000 2.313 130 K HA 0.112 4.432 4.320 -0.001 0.000 0.197 130 K C 0.566 177.154 176.600 -0.021 0.000 1.061 130 K CA 0.195 56.472 56.287 -0.016 0.000 0.980 130 K CB 1.374 33.859 32.500 -0.024 0.000 0.888 130 K HN 0.012 nan 8.250 nan 0.000 0.502 131 V N -0.412 119.489 119.914 -0.021 0.000 2.680 131 V HA 0.400 4.519 4.120 -0.001 0.000 0.309 131 V C -0.735 175.351 176.094 -0.014 0.000 1.052 131 V CA -1.115 61.172 62.300 -0.021 0.000 0.908 131 V CB 1.975 33.778 31.823 -0.035 0.000 1.001 131 V HN 0.070 nan 8.190 nan 0.000 0.431 132 E N 2.715 122.908 120.200 -0.012 0.000 2.301 132 E HA 0.371 4.721 4.350 -0.001 0.000 0.275 132 E C -0.540 176.056 176.600 -0.007 0.000 1.030 132 E CA -0.705 55.686 56.400 -0.014 0.000 0.852 132 E CB 0.991 30.684 29.700 -0.012 0.000 1.060 132 E HN 0.662 nan 8.360 nan 0.000 0.401 133 K N 4.102 124.492 120.400 -0.017 0.000 3.205 133 K HA 0.176 4.496 4.320 -0.001 0.000 0.202 133 K C -0.782 175.814 176.600 -0.006 0.000 1.160 133 K CA -0.235 56.050 56.287 -0.005 0.000 0.995 133 K CB 0.557 33.049 32.500 -0.012 0.000 1.041 133 K HN 0.321 nan 8.250 nan 0.000 0.507 134 K N 1.571 121.972 120.400 0.001 0.000 2.240 134 K HA 0.092 4.412 4.320 -0.001 0.000 0.271 134 K C -0.689 175.927 176.600 0.026 0.000 1.018 134 K CA -0.115 56.179 56.287 0.011 0.000 0.874 134 K CB 0.654 33.151 32.500 -0.005 0.000 1.098 134 K HN 0.154 nan 8.250 nan 0.000 0.458 135 D N 2.911 123.359 120.400 0.081 0.000 2.837 135 D HA -0.163 4.477 4.640 -0.001 0.000 0.230 135 D C -0.007 176.332 176.300 0.064 0.000 1.152 135 D CA 1.262 55.321 54.000 0.098 0.000 0.736 135 D CB -0.887 39.892 40.800 -0.035 0.000 1.084 135 D HN 0.485 nan 8.370 nan 0.000 0.429 136 L N -3.583 117.676 121.223 0.060 0.000 3.358 136 L HA 0.376 4.716 4.340 -0.001 0.000 0.301 136 L C 1.422 178.266 176.870 -0.045 0.000 1.276 136 L CA -0.394 54.414 54.840 -0.053 0.000 1.028 136 L CB -0.450 41.580 42.059 -0.048 0.000 1.421 136 L HN 0.000 nan 8.230 nan 0.000 0.604 137 L N 1.369 122.569 121.223 -0.037 0.000 2.089 137 L HA -0.140 4.200 4.340 -0.001 0.000 0.213 137 L C 2.102 178.986 176.870 0.024 0.000 1.079 137 L CA 2.749 57.539 54.840 -0.083 0.000 0.758 137 L CB -0.423 41.356 42.059 -0.468 0.000 0.891 137 L HN 0.697 nan 8.230 nan 0.000 0.433 138 T N -3.790 110.726 114.554 -0.062 0.000 3.134 138 T HA 0.611 4.961 4.350 -0.001 0.000 0.260 138 T C 0.913 175.430 174.700 -0.305 0.000 1.027 138 T CA 0.180 62.220 62.100 -0.101 0.000 0.913 138 T CB 0.051 68.771 68.868 -0.247 0.000 1.046 138 T HN 0.769 nan 8.240 nan 0.000 0.553 139 G N 2.188 110.638 108.800 -0.583 0.000 2.709 139 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.228 139 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.228 139 G C 0.807 175.259 174.900 -0.746 0.000 1.215 139 G CA 0.436 44.693 45.100 -1.406 0.000 1.003 139 G HN 0.980 nan 8.290 nan 0.000 0.584 140 T N -0.718 113.586 114.554 -0.416 0.000 3.169 140 T HA 0.529 4.879 4.350 -0.001 0.000 0.250 140 T C 0.400 175.106 174.700 0.010 0.000 1.111 140 T CA 1.447 63.460 62.100 -0.145 0.000 1.010 140 T CB -0.469 68.365 68.868 -0.056 0.000 0.984 140 T HN 1.739 nan 8.240 nan 0.000 0.537 141 Y N -1.111 119.101 120.300 -0.147 0.000 2.615 141 Y HA 0.765 5.315 4.550 -0.000 0.000 0.341 141 Y C -1.093 174.764 175.900 -0.071 0.000 1.089 141 Y CA -2.145 55.900 58.100 -0.092 0.000 1.049 141 Y CB 1.752 40.167 38.460 -0.075 0.000 1.296 141 Y HN 0.029 nan 8.280 nan 0.000 0.470 142 M N 3.734 123.179 119.600 -0.258 0.000 2.326 142 M HA 0.575 5.055 4.480 -0.001 0.000 0.306 142 M C -2.962 173.225 176.300 -0.188 0.000 1.054 142 M CA -1.966 53.106 55.300 -0.380 0.000 0.922 142 M CB 2.227 34.635 32.600 -0.320 0.000 1.632 142 M HN 0.590 nan 8.290 nan 0.000 0.436 143 P HA 0.052 nan 4.420 nan 0.000 0.269 143 P C -0.873 176.387 177.300 -0.067 0.000 1.209 143 P CA -0.066 63.049 63.100 0.026 0.000 0.776 143 P CB 0.648 32.387 31.700 0.064 0.000 0.876 144 S N 0.857 116.568 115.700 0.019 0.000 2.552 144 S HA -0.001 4.469 4.470 -0.001 0.000 0.289 144 S C 1.516 176.074 174.600 -0.070 0.000 1.304 144 S CA 0.392 58.579 58.200 -0.021 0.000 1.063 144 S CB -0.288 62.931 63.200 0.032 0.000 0.848 144 S HN 0.632 nan 8.310 nan 0.000 0.499 145 T N 1.844 116.327 114.554 -0.120 0.000 3.025 145 T HA -0.018 4.332 4.350 -0.001 0.000 0.270 145 T C 1.113 175.746 174.700 -0.113 0.000 1.126 145 T CA 0.801 62.819 62.100 -0.136 0.000 1.105 145 T CB -0.289 68.482 68.868 -0.163 0.000 0.884 145 T HN 0.673 nan 8.240 nan 0.000 0.522 146 E N 1.390 121.541 120.200 -0.081 0.000 2.333 146 E HA 0.060 4.410 4.350 -0.001 0.000 0.198 146 E C 1.901 178.447 176.600 -0.090 0.000 1.007 146 E CA 0.482 56.834 56.400 -0.081 0.000 0.845 146 E CB -0.430 29.247 29.700 -0.038 0.000 0.766 146 E HN 0.574 nan 8.360 nan 0.000 0.507 147 L N 0.503 121.714 121.223 -0.020 0.000 2.492 147 L HA 0.005 4.345 4.340 -0.001 0.000 0.223 147 L C 1.070 177.938 176.870 -0.004 0.000 1.132 147 L CA 1.126 56.012 54.840 0.075 0.000 0.850 147 L CB -0.029 42.162 42.059 0.219 0.000 0.966 147 L HN 0.067 nan 8.230 nan 0.000 0.454 148 T N -4.448 110.048 114.554 -0.096 0.000 3.633 148 T HA 0.391 4.741 4.350 -0.001 0.000 0.278 148 T C 0.974 175.504 174.700 -0.284 0.000 0.991 148 T CA 0.067 62.150 62.100 -0.029 0.000 1.036 148 T CB 0.652 69.632 68.868 0.185 0.000 1.148 148 T HN 0.242 nan 8.240 nan 0.000 0.501 149 G N 0.581 109.105 108.800 -0.460 0.000 2.203 149 G HA2 0.084 4.043 3.960 -0.001 0.000 0.263 149 G HA3 0.084 4.043 3.960 -0.001 0.000 0.263 149 G C 1.212 175.916 174.900 -0.328 0.000 1.012 149 G CA 0.551 45.327 45.100 -0.540 0.000 0.749 149 G HN 2.018 nan 8.290 nan 0.000 0.512 150 G N -2.703 105.932 108.800 -0.275 0.000 2.176 150 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.253 150 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.253 150 G C 0.290 174.945 174.900 -0.409 0.000 0.979 150 G CA 0.752 45.660 45.100 -0.320 0.000 0.641 150 G HN 1.247 nan 8.290 nan 0.000 0.530 151 Y N 0.404 120.592 120.300 -0.185 0.000 2.352 151 Y HA 0.649 5.199 4.550 -0.001 0.000 0.326 151 Y C 1.265 177.089 175.900 -0.128 0.000 1.166 151 Y CA -0.788 57.240 58.100 -0.120 0.000 1.182 151 Y CB 0.899 39.312 38.460 -0.078 0.000 1.216 151 Y HN 0.032 nan 8.280 nan 0.000 0.474 152 R N 3.081 123.612 120.500 0.051 0.000 2.220 152 R HA 0.268 4.608 4.340 -0.001 0.000 0.340 152 R C -0.674 175.661 176.300 0.059 0.000 1.076 152 R CA -0.415 55.675 56.100 -0.018 0.000 0.920 152 R CB 0.138 30.415 30.300 -0.039 0.000 1.062 152 R HN 0.448 nan 8.270 nan 0.000 0.469 153 I N 3.439 124.030 120.570 0.035 0.000 2.882 153 I HA -0.126 4.044 4.170 -0.001 0.000 0.286 153 I C 1.905 177.982 176.117 -0.067 0.000 1.139 153 I CA -0.071 61.192 61.300 -0.061 0.000 1.379 153 I CB 0.381 38.169 38.000 -0.354 0.000 1.410 153 I HN 0.581 nan 8.210 nan 0.000 0.594 154 L N 4.149 125.310 121.223 -0.103 0.000 2.034 154 L HA -0.270 4.070 4.340 -0.001 0.000 0.217 154 L C 2.346 179.172 176.870 -0.074 0.000 1.077 154 L CA 2.060 56.858 54.840 -0.070 0.000 0.769 154 L CB -0.683 41.314 42.059 -0.102 0.000 0.890 154 L HN 0.710 nan 8.230 nan 0.000 0.435 155 S N -1.735 113.825 115.700 -0.233 0.000 2.440 155 S HA -0.155 4.314 4.470 -0.001 0.000 0.238 155 S C 1.453 175.835 174.600 -0.363 0.000 1.010 155 S CA 1.273 59.299 58.200 -0.291 0.000 0.972 155 S CB -0.457 62.503 63.200 -0.400 0.000 0.774 155 S HN 0.625 nan 8.310 nan 0.000 0.501 156 Y N 0.770 120.982 120.300 -0.147 0.000 2.482 156 Y HA 0.353 4.903 4.550 -0.001 0.000 0.270 156 Y C 0.510 176.371 175.900 -0.065 0.000 1.152 156 Y CA -0.207 57.822 58.100 -0.118 0.000 1.292 156 Y CB -0.079 38.280 38.460 -0.167 0.000 1.070 156 Y HN 0.105 nan 8.280 nan 0.000 0.528 157 L N 0.775 122.052 121.223 0.090 0.000 2.292 157 L HA 0.223 4.563 4.340 -0.001 0.000 0.284 157 L C -0.146 176.721 176.870 -0.005 0.000 1.065 157 L CA -0.610 54.276 54.840 0.076 0.000 0.806 157 L CB 0.813 42.949 42.059 0.129 0.000 1.175 157 L HN 0.013 nan 8.230 nan 0.000 0.431 158 D N 3.809 124.178 120.400 -0.051 0.000 2.372 158 D HA 0.104 4.743 4.640 -0.001 0.000 0.243 158 D C -1.636 174.490 176.300 -0.290 0.000 1.121 158 D CA -1.184 52.731 54.000 -0.142 0.000 0.898 158 D CB 1.370 42.123 40.800 -0.078 0.000 1.202 158 D HN 0.238 nan 8.370 nan 0.000 0.428 159 P HA -0.158 nan 4.420 nan 0.000 0.220 159 P C 0.985 178.197 177.300 -0.146 0.000 1.144 159 P CA 1.091 63.876 63.100 -0.525 0.000 0.800 159 P CB -0.001 31.495 31.700 -0.340 0.000 0.772 160 S N -1.489 114.154 115.700 -0.096 0.000 2.474 160 S HA -0.108 4.361 4.470 -0.001 0.000 0.235 160 S C 0.732 175.330 174.600 -0.004 0.000 0.997 160 S CA 0.513 58.694 58.200 -0.032 0.000 0.949 160 S CB -0.910 62.273 63.200 -0.029 0.000 0.766 160 S HN 0.238 nan 8.310 nan 0.000 0.517 161 E N 2.505 122.706 120.200 0.001 0.000 2.259 161 E HA 0.186 4.536 4.350 -0.001 0.000 0.281 161 E C -1.853 174.786 176.600 0.066 0.000 1.037 161 E CA -2.308 54.111 56.400 0.033 0.000 0.854 161 E CB 0.901 30.623 29.700 0.037 0.000 1.051 161 E HN 0.191 nan 8.360 nan 0.000 0.409 162 P HA -0.215 nan 4.420 nan 0.000 0.216 162 P C 1.005 178.336 177.300 0.051 0.000 1.150 162 P CA 1.163 64.292 63.100 0.048 0.000 0.843 162 P CB 0.265 31.983 31.700 0.031 0.000 0.787 163 K N -1.277 119.153 120.400 0.051 0.000 2.280 163 K HA -0.177 4.143 4.320 -0.001 0.000 0.202 163 K C 2.046 178.666 176.600 0.033 0.000 1.047 163 K CA 1.078 57.386 56.287 0.035 0.000 0.942 163 K CB -0.935 31.589 32.500 0.039 0.000 0.739 163 K HN 0.361 nan 8.250 nan 0.000 0.457 164 H N 1.256 120.315 119.070 -0.018 0.000 2.321 164 H HA -0.095 4.461 4.556 -0.001 0.000 0.300 164 H C 2.115 177.416 175.328 -0.045 0.000 1.087 164 H CA 2.230 58.258 56.048 -0.033 0.000 1.319 164 H CB 0.155 29.904 29.762 -0.021 0.000 1.379 164 H HN 0.316 nan 8.280 nan 0.000 0.501 165 E N 0.319 120.528 120.200 0.015 0.000 2.051 165 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 165 E C 2.027 178.571 176.600 -0.094 0.000 0.991 165 E CA 1.250 57.629 56.400 -0.035 0.000 0.799 165 E CB 0.060 29.792 29.700 0.053 0.000 0.748 165 E HN 0.501 nan 8.360 nan 0.000 0.449 166 K N 0.141 120.503 120.400 -0.064 0.000 2.026 166 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 166 K C 2.320 178.852 176.600 -0.114 0.000 1.048 166 K CA 1.372 57.619 56.287 -0.068 0.000 0.929 166 K CB -0.153 32.322 32.500 -0.043 0.000 0.713 166 K HN 0.208 nan 8.250 nan 0.000 0.439 167 L N 0.882 122.018 121.223 -0.144 0.000 2.109 167 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 167 L C 2.569 179.280 176.870 -0.265 0.000 1.086 167 L CA 1.101 55.840 54.840 -0.168 0.000 0.760 167 L CB -0.277 41.697 42.059 -0.141 0.000 0.910 167 L HN 0.140 nan 8.230 nan 0.000 0.437 168 K N 0.101 120.258 120.400 -0.406 0.000 2.097 168 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 168 K C 1.989 178.180 176.600 -0.681 0.000 1.050 168 K CA 1.093 56.997 56.287 -0.637 0.000 0.938 168 K CB 0.074 32.099 32.500 -0.791 0.000 0.718 168 K HN 0.225 nan 8.250 nan 0.000 0.442 169 N N 1.151 119.662 118.700 -0.315 0.000 2.104 169 N HA -0.195 4.544 4.740 -0.001 0.000 0.190 169 N C 1.711 177.222 175.510 0.002 0.000 1.024 169 N CA 0.961 53.985 53.050 -0.043 0.000 0.853 169 N CB -0.265 38.241 38.487 0.032 0.000 1.008 169 N HN 0.150 nan 8.380 nan 0.000 0.424 170 L N 1.175 122.355 121.223 -0.072 0.000 2.046 170 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 170 L C 2.042 178.922 176.870 0.017 0.000 1.077 170 L CA 1.344 56.172 54.840 -0.019 0.000 0.747 170 L CB -0.532 41.488 42.059 -0.064 0.000 0.896 170 L HN 0.118 nan 8.230 nan 0.000 0.432 171 L N -1.885 119.269 121.223 -0.115 0.000 2.056 171 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 171 L C 2.492 179.351 176.870 -0.020 0.000 1.078 171 L CA 0.866 55.624 54.840 -0.137 0.000 0.749 171 L CB -0.705 41.221 42.059 -0.222 0.000 0.901 171 L HN 0.194 nan 8.230 nan 0.000 0.433 172 F N -0.139 119.802 119.950 -0.015 0.000 2.120 172 F HA -0.298 4.229 4.527 -0.001 0.000 0.300 172 F C 2.448 178.261 175.800 0.022 0.000 1.095 172 F CA 1.229 59.230 58.000 0.003 0.000 1.249 172 F CB -1.253 37.763 39.000 0.025 0.000 0.995 172 F HN -0.003 nan 8.300 nan 0.000 0.480 173 F N 0.269 120.290 119.950 0.119 0.000 2.134 173 F HA -0.188 4.339 4.527 -0.001 0.000 0.299 173 F C 2.297 178.083 175.800 -0.023 0.000 1.097 173 F CA 1.102 59.124 58.000 0.038 0.000 1.264 173 F CB -0.611 38.399 39.000 0.015 0.000 1.001 173 F HN -0.047 nan 8.300 nan 0.000 0.479 174 L N 0.529 121.746 121.223 -0.011 0.000 2.013 174 L HA -0.228 4.112 4.340 -0.001 0.000 0.212 174 L C 2.068 178.730 176.870 -0.347 0.000 1.073 174 L CA 1.945 56.645 54.840 -0.235 0.000 0.753 174 L CB -0.988 40.883 42.059 -0.313 0.000 0.890 174 L HN 0.272 nan 8.230 nan 0.000 0.432 175 L N -0.626 120.449 121.223 -0.246 0.000 2.027 175 L HA -0.208 4.132 4.340 -0.001 0.000 0.206 175 L C 2.689 179.521 176.870 -0.062 0.000 1.074 175 L CA 1.683 56.439 54.840 -0.140 0.000 0.745 175 L CB -0.703 41.351 42.059 -0.008 0.000 0.898 175 L HN 0.317 nan 8.230 nan 0.000 0.433 176 K N 0.008 120.347 120.400 -0.103 0.000 2.057 176 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 176 K C 2.188 178.668 176.600 -0.200 0.000 1.049 176 K CA 1.736 57.951 56.287 -0.120 0.000 0.931 176 K CB 0.018 32.441 32.500 -0.127 0.000 0.714 176 K HN 0.155 nan 8.250 nan 0.000 0.440 177 S N 0.414 115.880 115.700 -0.390 0.000 2.419 177 S HA -0.104 4.366 4.470 -0.001 0.000 0.233 177 S C 1.788 176.291 174.600 -0.162 0.000 1.016 177 S CA 1.466 59.436 58.200 -0.383 0.000 0.974 177 S CB -0.111 62.730 63.200 -0.598 0.000 0.786 177 S HN 0.558 nan 8.310 nan 0.000 0.492 178 S N 2.090 117.735 115.700 -0.091 0.000 2.558 178 S HA -0.003 4.467 4.470 -0.001 0.000 0.217 178 S C 1.687 176.354 174.600 0.111 0.000 0.975 178 S CA 0.073 58.296 58.200 0.039 0.000 0.912 178 S CB -0.260 63.026 63.200 0.143 0.000 0.776 178 S HN 0.633 nan 8.310 nan 0.000 0.526 179 R N 2.107 122.650 120.500 0.072 0.000 2.119 179 R HA -0.127 4.213 4.340 -0.001 0.000 0.246 179 R C 1.458 177.808 176.300 0.085 0.000 1.146 179 R CA 2.283 58.443 56.100 0.100 0.000 0.962 179 R CB -1.139 29.185 30.300 0.039 0.000 0.863 179 R HN 0.526 nan 8.270 nan 0.000 0.442 180 N N -0.421 118.307 118.700 0.047 0.000 2.463 180 N HA 0.047 4.786 4.740 -0.001 0.000 0.181 180 N C 1.267 176.831 175.510 0.090 0.000 1.078 180 N CA 0.328 53.398 53.050 0.032 0.000 0.902 180 N CB 0.209 38.700 38.487 0.006 0.000 0.970 180 N HN 0.286 nan 8.380 nan 0.000 0.451 181 R N -0.033 120.548 120.500 0.134 0.000 2.265 181 R HA 0.240 4.580 4.340 -0.001 0.000 0.194 181 R C 1.547 178.021 176.300 0.291 0.000 0.931 181 R CA 0.108 56.312 56.100 0.173 0.000 1.032 181 R CB 0.146 30.520 30.300 0.123 0.000 0.980 181 R HN 0.219 nan 8.270 nan 0.000 0.497 182 I N 0.394 121.183 120.570 0.366 0.000 2.099 182 I HA -0.311 3.858 4.170 -0.001 0.000 0.239 182 I C 1.681 178.145 176.117 0.580 0.000 1.066 182 I CA 1.597 63.222 61.300 0.542 0.000 1.324 182 I CB -0.267 38.054 38.000 0.535 0.000 1.037 182 I HN 0.011 nan 8.210 nan 0.000 0.401 183 F N 1.122 121.188 119.950 0.193 0.000 2.069 183 F HA -0.124 4.403 4.527 -0.001 0.000 0.298 183 F C -0.107 175.812 175.800 0.198 0.000 1.113 183 F CA 1.253 59.340 58.000 0.146 0.000 1.214 183 F CB -2.543 36.502 39.000 0.075 0.000 0.978 183 F HN 0.120 nan 8.300 nan 0.000 0.474 184 P HA -0.120 nan 4.420 nan 0.000 0.219 184 P C 1.194 178.654 177.300 0.267 0.000 1.150 184 P CA 1.484 64.742 63.100 0.262 0.000 0.814 184 P CB -0.007 31.810 31.700 0.194 0.000 0.787 185 E N -0.911 119.492 120.200 0.338 0.000 2.158 185 E HA -0.083 4.267 4.350 -0.001 0.000 0.191 185 E C 1.952 178.829 176.600 0.461 0.000 0.982 185 E CA 0.540 57.160 56.400 0.367 0.000 0.823 185 E CB -0.937 28.981 29.700 0.363 0.000 0.766 185 E HN 0.276 nan 8.360 nan 0.000 0.468 186 F N 2.216 122.357 119.950 0.319 0.000 2.102 186 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 186 F C 2.696 178.553 175.800 0.095 0.000 1.105 186 F CA 1.856 59.824 58.000 -0.053 0.000 1.239 186 F CB 0.025 38.788 39.000 -0.395 0.000 0.991 186 F HN -0.007 nan 8.300 nan 0.000 0.474 187 Q N 0.083 120.069 119.800 0.309 0.000 2.084 187 Q HA -0.215 4.124 4.340 -0.001 0.000 0.202 187 Q C 2.283 178.364 176.000 0.135 0.000 0.978 187 Q CA 1.664 57.596 55.803 0.214 0.000 0.844 187 Q CB -0.353 28.490 28.738 0.176 0.000 0.898 187 Q HN 0.504 nan 8.270 nan 0.000 0.426 188 A N 0.303 123.200 122.820 0.128 0.000 1.858 188 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 188 A C 2.299 179.900 177.584 0.027 0.000 1.190 188 A CA 2.230 54.315 52.037 0.081 0.000 0.617 188 A CB -1.269 17.787 19.000 0.092 0.000 0.827 188 A HN 0.675 nan 8.150 nan 0.000 0.443 189 T N -3.358 111.199 114.554 0.004 0.000 2.737 189 T HA -0.164 4.186 4.350 -0.001 0.000 0.265 189 T C 1.813 176.323 174.700 -0.316 0.000 1.038 189 T CA 1.584 63.602 62.100 -0.137 0.000 1.144 189 T CB -0.640 68.152 68.868 -0.127 0.000 0.866 189 T HN 0.404 nan 8.240 nan 0.000 0.434 190 Y N 2.603 122.725 120.300 -0.296 0.000 2.314 190 Y HA -0.023 4.527 4.550 -0.000 0.000 0.293 190 Y C 3.247 179.136 175.900 -0.018 0.000 1.129 190 Y CA 1.116 59.053 58.100 -0.271 0.000 1.201 190 Y CB -0.446 37.740 38.460 -0.456 0.000 0.999 190 Y HN 0.447 nan 8.280 nan 0.000 0.541 191 S N -0.157 115.627 115.700 0.139 0.000 2.382 191 S HA -0.218 4.251 4.470 -0.001 0.000 0.228 191 S C 1.710 176.355 174.600 0.074 0.000 1.027 191 S CA 1.444 59.734 58.200 0.149 0.000 0.991 191 S CB -0.484 62.768 63.200 0.087 0.000 0.823 191 S HN 0.547 nan 8.310 nan 0.000 0.469 192 E N 0.987 121.182 120.200 -0.009 0.000 2.077 192 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 192 E C 2.059 178.609 176.600 -0.083 0.000 0.989 192 E CA 1.182 57.557 56.400 -0.043 0.000 0.800 192 E CB -0.376 29.284 29.700 -0.066 0.000 0.746 192 E HN 0.451 nan 8.360 nan 0.000 0.452 193 L N 0.413 121.520 121.223 -0.193 0.000 1.989 193 L HA -0.190 4.149 4.340 -0.001 0.000 0.211 193 L C 1.990 178.743 176.870 -0.194 0.000 1.071 193 L CA 1.791 56.456 54.840 -0.290 0.000 0.749 193 L CB -0.603 41.130 42.059 -0.544 0.000 0.890 193 L HN 0.053 nan 8.230 nan 0.000 0.431 194 F N -0.113 119.863 119.950 0.043 0.000 2.146 194 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 194 F C 2.377 178.198 175.800 0.035 0.000 1.096 194 F CA 1.432 59.470 58.000 0.062 0.000 1.275 194 F CB -0.558 38.483 39.000 0.067 0.000 1.008 194 F HN 0.254 nan 8.300 nan 0.000 0.480 195 D N -0.392 120.110 120.400 0.170 0.000 2.133 195 D HA -0.226 4.414 4.640 -0.001 0.000 0.195 195 D C 2.312 178.648 176.300 0.059 0.000 0.997 195 D CA 1.695 55.749 54.000 0.089 0.000 0.840 195 D CB -0.231 40.597 40.800 0.047 0.000 0.947 195 D HN 0.089 nan 8.370 nan 0.000 0.452 196 S N -1.239 114.479 115.700 0.030 0.000 2.368 196 S HA -0.076 4.393 4.470 -0.001 0.000 0.225 196 S C 2.071 176.691 174.600 0.033 0.000 1.030 196 S CA 0.890 59.096 58.200 0.011 0.000 0.999 196 S CB -0.372 62.810 63.200 -0.030 0.000 0.844 196 S HN 0.339 nan 8.310 nan 0.000 0.459 197 L N 0.904 122.162 121.223 0.057 0.000 2.093 197 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 197 L C 2.604 179.517 176.870 0.072 0.000 1.085 197 L CA 1.338 56.234 54.840 0.092 0.000 0.755 197 L CB -0.565 41.586 42.059 0.153 0.000 0.904 197 L HN 0.389 nan 8.230 nan 0.000 0.435 198 E N 0.232 120.476 120.200 0.073 0.000 2.077 198 E HA -0.273 4.076 4.350 -0.001 0.000 0.193 198 E C 2.139 178.764 176.600 0.042 0.000 0.989 198 E CA 1.214 57.646 56.400 0.053 0.000 0.800 198 E CB -0.046 29.704 29.700 0.084 0.000 0.746 198 E HN 0.336 nan 8.360 nan 0.000 0.452 199 K N 1.316 121.741 120.400 0.041 0.000 2.032 199 K HA -0.255 4.065 4.320 -0.001 0.000 0.209 199 K C 2.152 178.771 176.600 0.032 0.000 1.048 199 K CA 1.668 57.973 56.287 0.031 0.000 0.927 199 K CB -0.020 32.495 32.500 0.024 0.000 0.712 199 K HN 0.030 nan 8.250 nan 0.000 0.441 200 E N 0.675 120.898 120.200 0.039 0.000 2.085 200 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 200 E C 2.140 178.771 176.600 0.051 0.000 0.994 200 E CA 0.884 57.310 56.400 0.044 0.000 0.801 200 E CB -0.039 29.693 29.700 0.054 0.000 0.743 200 E HN 0.358 nan 8.360 nan 0.000 0.453 201 L N 0.831 122.088 121.223 0.057 0.000 2.017 201 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 201 L C 2.640 179.535 176.870 0.041 0.000 1.073 201 L CA 2.063 56.937 54.840 0.056 0.000 0.745 201 L CB -0.618 41.467 42.059 0.044 0.000 0.894 201 L HN 0.290 nan 8.230 nan 0.000 0.432 202 S N -0.463 115.256 115.700 0.032 0.000 2.382 202 S HA -0.220 4.250 4.470 -0.001 0.000 0.228 202 S C 1.995 176.610 174.600 0.026 0.000 1.027 202 S CA 1.077 59.293 58.200 0.026 0.000 0.991 202 S CB -0.686 62.527 63.200 0.023 0.000 0.823 202 S HN 0.453 nan 8.310 nan 0.000 0.469 203 L N 0.484 121.723 121.223 0.027 0.000 2.044 203 L HA 0.073 4.413 4.340 -0.001 0.000 0.205 203 L C 2.471 179.357 176.870 0.026 0.000 1.075 203 L CA 1.467 56.321 54.840 0.024 0.000 0.747 203 L CB -0.153 41.920 42.059 0.023 0.000 0.903 203 L HN 0.300 nan 8.230 nan 0.000 0.435 204 K N -1.494 118.925 120.400 0.032 0.000 2.355 204 K HA 0.197 4.516 4.320 -0.001 0.000 0.198 204 K C 1.066 177.689 176.600 0.038 0.000 1.039 204 K CA 0.571 56.878 56.287 0.034 0.000 1.075 204 K CB 1.027 33.549 32.500 0.037 0.000 0.870 204 K HN 0.353 nan 8.250 nan 0.000 0.540 205 G N 2.827 111.652 108.800 0.041 0.000 2.184 205 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.264 205 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.264 205 G C -0.068 174.868 174.900 0.060 0.000 0.975 205 G CA 1.240 46.367 45.100 0.045 0.000 0.642 205 G HN 0.410 nan 8.290 nan 0.000 0.536 206 K N -1.546 118.895 120.400 0.068 0.000 2.556 206 K HA 0.833 5.153 4.320 -0.001 0.000 0.274 206 K C -0.909 175.756 176.600 0.108 0.000 0.966 206 K CA -0.524 55.819 56.287 0.094 0.000 0.865 206 K CB 1.857 34.404 32.500 0.080 0.000 1.444 206 K HN 1.258 nan 8.250 nan 0.000 0.433 207 A N 1.634 124.551 122.820 0.162 0.000 2.332 207 A HA 0.316 4.636 4.320 -0.001 0.000 0.300 207 A C -1.442 176.263 177.584 0.202 0.000 1.153 207 A CA -0.654 51.495 52.037 0.186 0.000 0.764 207 A CB 1.222 20.367 19.000 0.241 0.000 1.174 207 A HN 0.757 nan 8.150 nan 0.000 0.467 208 D N 2.663 123.142 120.400 0.131 0.000 2.359 208 D HA 0.108 4.748 4.640 -0.001 0.000 0.250 208 D C 0.692 177.068 176.300 0.125 0.000 1.264 208 D CA -0.230 53.831 54.000 0.101 0.000 0.911 208 D CB -0.106 40.725 40.800 0.052 0.000 1.056 208 D HN 0.411 nan 8.370 nan 0.000 0.499 209 F N 3.627 123.575 119.950 -0.002 0.000 2.075 209 F HA 0.004 4.531 4.527 -0.001 0.000 0.297 209 F C 2.119 177.915 175.800 -0.006 0.000 1.113 209 F CA 2.060 60.065 58.000 0.010 0.000 1.218 209 F CB -0.368 38.569 39.000 -0.105 0.000 0.984 209 F HN 0.422 nan 8.300 nan 0.000 0.472 210 G N -0.408 108.384 108.800 -0.014 0.000 2.440 210 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.218 210 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.218 210 G C 1.906 176.712 174.900 -0.157 0.000 1.154 210 G CA 0.714 45.746 45.100 -0.114 0.000 0.767 210 G HN 0.644 nan 8.290 nan 0.000 0.552 211 G N -0.206 108.541 108.800 -0.088 0.000 2.448 211 G HA2 -0.018 3.941 3.960 -0.001 0.000 0.219 211 G HA3 -0.018 3.941 3.960 -0.001 0.000 0.219 211 G C 1.900 176.743 174.900 -0.095 0.000 1.127 211 G CA 1.436 46.498 45.100 -0.063 0.000 0.766 211 G HN 0.458 nan 8.290 nan 0.000 0.552 212 S N -0.276 115.323 115.700 -0.169 0.000 2.527 212 S HA 0.022 4.492 4.470 -0.001 0.000 0.227 212 S C 2.562 176.988 174.600 -0.290 0.000 1.059 212 S CA 0.687 58.774 58.200 -0.188 0.000 0.919 212 S CB 0.198 63.296 63.200 -0.169 0.000 0.805 212 S HN 0.547 nan 8.310 nan 0.000 0.500 213 S N 1.923 117.325 115.700 -0.497 0.000 2.447 213 S HA -0.086 4.384 4.470 -0.001 0.000 0.233 213 S C 1.165 175.579 174.600 -0.310 0.000 1.006 213 S CA 0.940 58.776 58.200 -0.607 0.000 0.957 213 S CB -0.378 62.044 63.200 -1.297 0.000 0.773 213 S HN 0.266 nan 8.310 nan 0.000 0.507 214 D N 2.283 122.571 120.400 -0.186 0.000 2.117 214 D HA 0.018 4.657 4.640 -0.001 0.000 0.197 214 D C 2.172 178.648 176.300 0.293 0.000 0.987 214 D CA 1.426 55.456 54.000 0.050 0.000 0.829 214 D CB -0.994 39.896 40.800 0.150 0.000 0.961 214 D HN 0.552 nan 8.370 nan 0.000 0.460 215 G N 0.058 108.921 108.800 0.104 0.000 2.418 215 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 215 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 215 G C 1.704 176.634 174.900 0.050 0.000 1.158 215 G CA 1.478 46.627 45.100 0.081 0.000 0.771 215 G HN 0.224 nan 8.290 nan 0.000 0.545 216 T N 1.849 116.335 114.554 -0.113 0.000 2.684 216 T HA -0.057 4.292 4.350 -0.001 0.000 0.267 216 T C 2.820 177.441 174.700 -0.131 0.000 1.036 216 T CA 1.697 63.628 62.100 -0.282 0.000 1.148 216 T CB -0.475 67.998 68.868 -0.659 0.000 0.863 216 T HN 0.382 nan 8.240 nan 0.000 0.436 217 A N 1.005 123.842 122.820 0.029 0.000 1.883 217 A HA -0.088 4.232 4.320 -0.001 0.000 0.217 217 A C 2.053 179.878 177.584 0.401 0.000 1.186 217 A CA 1.621 53.825 52.037 0.279 0.000 0.624 217 A CB -1.069 18.020 19.000 0.148 0.000 0.822 217 A HN 0.482 nan 8.150 nan 0.000 0.444 218 F N 1.308 121.461 119.950 0.337 0.000 2.146 218 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 218 F C 2.074 177.890 175.800 0.027 0.000 1.096 218 F CA 1.932 60.019 58.000 0.145 0.000 1.275 218 F CB -0.179 38.745 39.000 -0.126 0.000 1.008 218 F HN 0.216 nan 8.300 nan 0.000 0.480 219 N N 0.172 118.929 118.700 0.096 0.000 2.120 219 N HA -0.226 4.513 4.740 -0.001 0.000 0.188 219 N C 1.842 177.338 175.510 -0.022 0.000 1.024 219 N CA 1.550 54.603 53.050 0.005 0.000 0.852 219 N CB -1.059 37.441 38.487 0.022 0.000 1.003 219 N HN 0.405 nan 8.380 nan 0.000 0.424 220 F N 1.894 121.791 119.950 -0.089 0.000 2.095 220 F HA -0.064 4.462 4.527 -0.001 0.000 0.298 220 F C 1.990 177.722 175.800 -0.113 0.000 1.104 220 F CA 1.120 59.100 58.000 -0.033 0.000 1.232 220 F CB -0.577 38.484 39.000 0.102 0.000 0.987 220 F HN -0.067 nan 8.300 nan 0.000 0.475 221 L N 0.115 120.964 121.223 -0.624 0.000 2.017 221 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 221 L C 2.871 179.303 176.870 -0.730 0.000 1.073 221 L CA 1.235 55.484 54.840 -0.985 0.000 0.745 221 L CB -1.340 40.343 42.059 -0.626 0.000 0.894 221 L HN 0.273 nan 8.230 nan 0.000 0.432 222 A N 0.253 122.772 122.820 -0.503 0.000 1.902 222 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 222 A C 2.383 179.931 177.584 -0.059 0.000 1.181 222 A CA 1.648 53.599 52.037 -0.142 0.000 0.623 222 A CB -0.452 18.448 19.000 -0.166 0.000 0.818 222 A HN 0.335 nan 8.150 nan 0.000 0.443 223 R N -0.714 119.707 120.500 -0.130 0.000 2.073 223 R HA 0.057 4.397 4.340 -0.001 0.000 0.229 223 R C 2.471 178.721 176.300 -0.083 0.000 1.120 223 R CA 1.103 57.175 56.100 -0.046 0.000 0.967 223 R CB -0.372 29.939 30.300 0.018 0.000 0.862 223 R HN 0.499 nan 8.270 nan 0.000 0.436 224 A N 0.570 123.235 122.820 -0.259 0.000 1.872 224 A HA -0.082 4.238 4.320 -0.001 0.000 0.214 224 A C 1.721 179.241 177.584 -0.106 0.000 1.187 224 A CA 1.009 52.924 52.037 -0.203 0.000 0.614 224 A CB -0.340 18.380 19.000 -0.467 0.000 0.826 224 A HN 0.139 nan 8.150 nan 0.000 0.442 225 F N -1.873 117.798 119.950 -0.463 0.000 2.187 225 F HA 0.067 4.594 4.527 -0.001 0.000 0.295 225 F C 1.469 176.835 175.800 -0.723 0.000 1.091 225 F CA 0.515 58.063 58.000 -0.752 0.000 1.308 225 F CB -0.732 37.480 39.000 -1.313 0.000 1.030 225 F HN 0.335 nan 8.300 nan 0.000 0.487 226 Y N -1.313 119.052 120.300 0.109 0.000 2.527 226 Y HA 0.440 4.989 4.550 -0.001 0.000 0.247 226 Y C 1.751 177.637 175.900 -0.023 0.000 1.138 226 Y CA -0.416 57.693 58.100 0.014 0.000 1.228 226 Y CB -0.226 38.202 38.460 -0.053 0.000 1.252 226 Y HN 0.075 nan 8.280 nan 0.000 0.531 227 G N 1.318 110.164 108.800 0.077 0.000 2.258 227 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.274 227 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.274 227 G C -0.007 174.924 174.900 0.051 0.000 1.021 227 G CA 0.937 46.069 45.100 0.053 0.000 0.798 227 G HN 0.279 nan 8.290 nan 0.000 0.507 228 T N 0.141 114.737 114.554 0.069 0.000 2.812 228 T HA 0.446 4.796 4.350 -0.001 0.000 0.282 228 T C -0.297 174.468 174.700 0.108 0.000 0.990 228 T CA -0.662 61.477 62.100 0.065 0.000 0.960 228 T CB 1.456 70.322 68.868 -0.004 0.000 0.948 228 T HN 0.249 nan 8.240 nan 0.000 0.438 229 N N 3.819 122.574 118.700 0.091 0.000 2.420 229 N HA 0.279 5.019 4.740 -0.001 0.000 0.249 229 N C -1.867 173.719 175.510 0.127 0.000 1.033 229 N CA -2.245 50.857 53.050 0.086 0.000 0.944 229 N CB 1.591 40.109 38.487 0.052 0.000 1.113 229 N HN 0.155 nan 8.380 nan 0.000 0.502 230 P HA -0.137 nan 4.420 nan 0.000 0.217 230 P C 0.740 178.063 177.300 0.038 0.000 1.148 230 P CA 1.239 64.391 63.100 0.086 0.000 0.828 230 P CB 0.228 31.918 31.700 -0.017 0.000 0.783 231 A N -0.260 122.576 122.820 0.026 0.000 2.024 231 A HA -0.186 4.134 4.320 -0.001 0.000 0.220 231 A C 1.600 179.195 177.584 0.018 0.000 1.164 231 A CA 1.740 53.782 52.037 0.008 0.000 0.643 231 A CB -1.055 17.947 19.000 0.003 0.000 0.806 231 A HN 0.125 nan 8.150 nan 0.000 0.451 232 D N -0.286 120.137 120.400 0.038 0.000 2.325 232 D HA 0.073 4.712 4.640 -0.001 0.000 0.225 232 D C 0.851 177.175 176.300 0.040 0.000 1.096 232 D CA 1.041 55.061 54.000 0.033 0.000 0.844 232 D CB 0.057 40.876 40.800 0.031 0.000 0.925 232 D HN 0.610 nan 8.370 nan 0.000 0.513 233 T N -3.431 111.160 114.554 0.061 0.000 2.858 233 T HA 0.355 4.705 4.350 -0.001 0.000 0.285 233 T C 0.998 175.723 174.700 0.041 0.000 1.052 233 T CA -0.752 61.395 62.100 0.077 0.000 1.009 233 T CB 2.184 71.177 68.868 0.210 0.000 1.241 233 T HN -0.340 nan 8.240 nan 0.000 0.542 234 K N -0.186 120.237 120.400 0.039 0.000 2.362 234 K HA 0.182 4.501 4.320 -0.001 0.000 0.200 234 K C 1.901 178.486 176.600 -0.025 0.000 1.046 234 K CA 0.562 56.853 56.287 0.006 0.000 0.952 234 K CB -0.373 32.130 32.500 0.006 0.000 0.753 234 K HN 0.434 nan 8.250 nan 0.000 0.466 235 L N 0.695 121.898 121.223 -0.034 0.000 2.201 235 L HA -0.177 4.163 4.340 -0.001 0.000 0.212 235 L C 0.872 177.648 176.870 -0.156 0.000 1.105 235 L CA 1.077 55.824 54.840 -0.156 0.000 0.775 235 L CB -0.235 41.610 42.059 -0.357 0.000 0.913 235 L HN 0.284 nan 8.230 nan 0.000 0.440 236 K N -1.186 119.158 120.400 -0.093 0.000 1.699 236 K HA -0.344 3.975 4.320 -0.001 0.000 0.127 236 K C 0.836 177.372 176.600 -0.107 0.000 1.157 236 K CA 1.565 57.806 56.287 -0.076 0.000 0.341 236 K CB -1.290 31.172 32.500 -0.064 0.000 0.645 236 K HN 0.299 nan 8.250 nan 0.000 0.848 237 A N 1.095 123.851 122.820 -0.106 0.000 2.500 237 A HA 0.141 4.460 4.320 -0.001 0.000 0.267 237 A C 0.473 177.961 177.584 -0.161 0.000 1.290 237 A CA 0.155 52.123 52.037 -0.115 0.000 0.928 237 A CB 0.190 19.145 19.000 -0.074 0.000 1.066 237 A HN 0.448 nan 8.150 nan 0.000 0.516 238 D N 0.360 120.638 120.400 -0.203 0.000 2.349 238 D HA 0.117 4.757 4.640 -0.001 0.000 0.215 238 D C 1.992 178.092 176.300 -0.333 0.000 1.016 238 D CA 0.932 54.803 54.000 -0.214 0.000 0.870 238 D CB 0.089 40.785 40.800 -0.174 0.000 0.917 238 D HN 0.430 nan 8.370 nan 0.000 0.524 239 A N 2.056 124.555 122.820 -0.535 0.000 1.873 239 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 239 A C -0.139 176.991 177.584 -0.758 0.000 1.193 239 A CA 1.411 52.911 52.037 -0.894 0.000 0.629 239 A CB -1.516 16.367 19.000 -1.861 0.000 0.826 239 A HN 0.173 nan 8.150 nan 0.000 0.447 240 P HA -0.128 nan 4.420 nan 0.000 0.215 240 P C 1.751 178.959 177.300 -0.154 0.000 1.157 240 P CA 1.841 64.748 63.100 -0.322 0.000 0.874 240 P CB -0.401 31.343 31.700 0.073 0.000 0.790 241 G N -0.450 108.284 108.800 -0.110 0.000 2.422 241 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.218 241 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.218 241 G C 1.497 176.372 174.900 -0.040 0.000 1.146 241 G CA 0.574 45.652 45.100 -0.037 0.000 0.769 241 G HN 0.219 nan 8.290 nan 0.000 0.547 242 L N -0.081 121.063 121.223 -0.132 0.000 2.027 242 L HA 0.020 4.360 4.340 -0.001 0.000 0.206 242 L C 2.857 179.718 176.870 -0.014 0.000 1.074 242 L CA 0.713 55.495 54.840 -0.096 0.000 0.745 242 L CB -0.369 41.574 42.059 -0.193 0.000 0.898 242 L HN 0.187 nan 8.230 nan 0.000 0.433 243 I N -0.632 119.851 120.570 -0.145 0.000 2.252 243 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 243 I C 2.535 178.798 176.117 0.244 0.000 1.102 243 I CA 1.376 62.683 61.300 0.012 0.000 1.385 243 I CB -0.535 37.200 38.000 -0.442 0.000 1.064 243 I HN 0.231 nan 8.210 nan 0.000 0.414 244 T N 0.628 115.290 114.554 0.181 0.000 2.684 244 T HA -0.262 4.088 4.350 -0.001 0.000 0.267 244 T C 1.946 176.809 174.700 0.271 0.000 1.036 244 T CA 1.691 63.959 62.100 0.279 0.000 1.148 244 T CB -0.218 68.800 68.868 0.249 0.000 0.863 244 T HN 0.303 nan 8.240 nan 0.000 0.436 245 K N -0.535 120.012 120.400 0.246 0.000 2.032 245 K HA -0.185 4.135 4.320 -0.001 0.000 0.209 245 K C 2.203 179.053 176.600 0.417 0.000 1.048 245 K CA 1.646 58.112 56.287 0.299 0.000 0.927 245 K CB -0.330 32.290 32.500 0.200 0.000 0.712 245 K HN 0.456 nan 8.250 nan 0.000 0.441 246 W N 1.172 122.581 121.300 0.182 0.000 2.355 246 W HA -0.218 4.441 4.660 -0.001 0.000 0.309 246 W C 1.612 178.349 176.519 0.364 0.000 1.206 246 W CA 1.460 58.947 57.345 0.237 0.000 1.284 246 W CB -0.553 29.047 29.460 0.232 0.000 1.145 246 W HN -0.131 nan 8.180 nan 0.000 0.502 247 V N 1.454 121.488 119.914 0.201 0.000 2.332 247 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 247 V C 2.396 178.574 176.094 0.140 0.000 1.055 247 V CA 2.115 64.430 62.300 0.025 0.000 1.038 247 V CB -1.037 30.841 31.823 0.091 0.000 0.651 247 V HN 0.263 nan 8.190 nan 0.000 0.450 248 L N -1.731 119.639 121.223 0.246 0.000 2.201 248 L HA -0.133 4.207 4.340 -0.001 0.000 0.212 248 L C 2.316 179.370 176.870 0.306 0.000 1.105 248 L CA 1.332 56.327 54.840 0.258 0.000 0.775 248 L CB -0.519 41.685 42.059 0.242 0.000 0.913 248 L HN 0.254 nan 8.230 nan 0.000 0.440 249 F N 0.151 120.206 119.950 0.175 0.000 2.325 249 F HA -0.124 4.403 4.527 -0.001 0.000 0.299 249 F C 2.422 178.354 175.800 0.221 0.000 1.090 249 F CA 1.034 59.171 58.000 0.228 0.000 1.392 249 F CB -0.390 38.715 39.000 0.176 0.000 1.053 249 F HN 0.154 nan 8.300 nan 0.000 0.521 250 N N -0.144 118.696 118.700 0.233 0.000 2.207 250 N HA 0.007 4.747 4.740 -0.001 0.000 0.182 250 N C 1.568 177.221 175.510 0.239 0.000 1.020 250 N CA 1.053 54.213 53.050 0.182 0.000 0.858 250 N CB 0.020 38.557 38.487 0.085 0.000 0.991 250 N HN 0.281 nan 8.380 nan 0.000 0.427 251 L N 0.499 121.853 121.223 0.219 0.000 2.766 251 L HA 0.126 4.466 4.340 -0.001 0.000 0.242 251 L C 1.749 178.697 176.870 0.131 0.000 1.136 251 L CA -0.019 54.957 54.840 0.227 0.000 0.933 251 L CB -0.245 41.957 42.059 0.237 0.000 1.241 251 L HN 0.186 nan 8.230 nan 0.000 0.522 252 H N -0.200 118.941 119.070 0.119 0.000 2.426 252 H HA -0.104 4.452 4.556 -0.000 0.000 0.298 252 H C -1.029 174.355 175.328 0.093 0.000 1.107 252 H CA 1.212 57.296 56.048 0.060 0.000 1.298 252 H CB -1.867 27.865 29.762 -0.050 0.000 1.377 252 H HN 0.154 nan 8.280 nan 0.000 0.519 253 P HA -0.053 nan 4.420 nan 0.000 0.228 253 P C 0.659 177.969 177.300 0.017 0.000 1.151 253 P CA 1.102 64.075 63.100 -0.211 0.000 0.770 253 P CB 0.073 31.343 31.700 -0.717 0.000 0.786 254 L N -2.623 118.688 121.223 0.146 0.000 2.766 254 L HA 0.248 4.587 4.340 -0.001 0.000 0.242 254 L C 0.562 177.719 176.870 0.478 0.000 1.136 254 L CA -0.028 55.008 54.840 0.327 0.000 0.933 254 L CB 0.112 42.356 42.059 0.309 0.000 1.241 254 L HN -0.090 nan 8.230 nan 0.000 0.522 255 L N -1.082 120.345 121.223 0.340 0.000 2.341 255 L HA 0.518 4.857 4.340 -0.001 0.000 0.267 255 L C -0.212 176.740 176.870 0.136 0.000 1.009 255 L CA -0.369 54.641 54.840 0.284 0.000 0.819 255 L CB 2.303 44.487 42.059 0.207 0.000 1.323 255 L HN -0.172 nan 8.230 nan 0.000 0.425 256 S N 1.670 117.440 115.700 0.117 0.000 2.500 256 S HA 0.697 5.166 4.470 -0.001 0.000 0.301 256 S C -0.103 174.536 174.600 0.066 0.000 1.092 256 S CA -0.722 57.494 58.200 0.027 0.000 1.030 256 S CB 0.855 64.066 63.200 0.018 0.000 1.031 256 S HN 0.395 nan 8.310 nan 0.000 0.483 257 I N 2.849 123.444 120.570 0.040 0.000 4.389 257 I HA 0.410 4.580 4.170 -0.001 0.000 0.227 257 I C 2.136 178.287 176.117 0.057 0.000 1.528 257 I CA -0.386 60.942 61.300 0.046 0.000 1.068 257 I CB -0.702 37.313 38.000 0.024 0.000 1.669 257 I HN 0.795 nan 8.210 nan 0.000 0.686 258 G N 0.865 109.690 108.800 0.042 0.000 2.471 258 G HA2 0.039 3.999 3.960 -0.001 0.000 0.219 258 G HA3 0.039 3.999 3.960 -0.001 0.000 0.219 258 G C 0.854 175.777 174.900 0.038 0.000 1.125 258 G CA 0.025 45.151 45.100 0.043 0.000 0.775 258 G HN 0.284 nan 8.290 nan 0.000 0.548 259 L N 1.233 122.469 121.223 0.022 0.000 2.483 259 L HA 0.197 4.537 4.340 -0.001 0.000 0.275 259 L C -1.818 175.033 176.870 -0.031 0.000 1.220 259 L CA -1.662 53.171 54.840 -0.012 0.000 0.833 259 L CB 0.408 42.444 42.059 -0.038 0.000 1.102 259 L HN -0.039 nan 8.230 nan 0.000 0.490 260 P HA 0.026 nan 4.420 nan 0.000 0.267 260 P C 0.284 177.427 177.300 -0.261 0.000 1.200 260 P CA -0.140 62.861 63.100 -0.165 0.000 0.772 260 P CB 0.493 32.110 31.700 -0.139 0.000 0.855 261 R N 2.282 122.472 120.500 -0.518 0.000 2.159 261 R HA -0.222 4.118 4.340 -0.001 0.000 0.252 261 R C 1.637 177.728 176.300 -0.348 0.000 1.144 261 R CA 2.608 58.272 56.100 -0.726 0.000 0.961 261 R CB -0.910 28.805 30.300 -0.974 0.000 0.877 261 R HN 0.455 nan 8.270 nan 0.000 0.444 262 V N -2.001 117.752 119.914 -0.267 0.000 2.759 262 V HA -0.114 4.005 4.120 -0.001 0.000 0.256 262 V C 1.979 178.017 176.094 -0.093 0.000 1.080 262 V CA 1.549 63.760 62.300 -0.149 0.000 1.101 262 V CB -0.486 31.263 31.823 -0.124 0.000 0.698 262 V HN 0.265 nan 8.190 nan 0.000 0.477 263 I N -0.036 120.470 120.570 -0.106 0.000 2.429 263 I HA -0.024 4.145 4.170 -0.001 0.000 0.247 263 I C 2.795 178.855 176.117 -0.095 0.000 1.099 263 I CA 1.125 62.376 61.300 -0.081 0.000 1.422 263 I CB -0.360 37.595 38.000 -0.076 0.000 1.112 263 I HN 0.203 nan 8.210 nan 0.000 0.430 264 E N 0.906 121.031 120.200 -0.125 0.000 2.051 264 E HA -0.203 4.147 4.350 -0.001 0.000 0.192 264 E C 2.079 178.543 176.600 -0.227 0.000 0.991 264 E CA 1.017 57.297 56.400 -0.199 0.000 0.799 264 E CB -0.017 29.587 29.700 -0.159 0.000 0.748 264 E HN 0.389 nan 8.360 nan 0.000 0.449 265 E N 0.013 120.189 120.200 -0.040 0.000 2.038 265 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 265 E C -0.579 176.081 176.600 0.101 0.000 1.000 265 E CA 1.306 57.786 56.400 0.133 0.000 0.803 265 E CB -1.320 28.541 29.700 0.269 0.000 0.750 265 E HN 0.334 nan 8.360 nan 0.000 0.448 266 P HA -0.093 nan 4.420 nan 0.000 0.222 266 P C 1.758 179.120 177.300 0.102 0.000 1.153 266 P CA 0.846 64.019 63.100 0.122 0.000 0.798 266 P CB 0.038 31.800 31.700 0.103 0.000 0.796 267 L N 0.127 121.348 121.223 -0.003 0.000 2.162 267 L HA 0.121 4.461 4.340 -0.001 0.000 0.205 267 L C 2.077 178.881 176.870 -0.110 0.000 1.086 267 L CA 1.488 56.296 54.840 -0.055 0.000 0.778 267 L CB -0.551 41.449 42.059 -0.098 0.000 0.928 267 L HN -0.090 nan 8.230 nan 0.000 0.446 268 I N -6.468 114.008 120.570 -0.157 0.000 4.439 268 I HA 0.265 4.435 4.170 -0.001 0.000 0.331 268 I C 0.985 177.190 176.117 0.146 0.000 1.345 268 I CA -0.100 61.135 61.300 -0.108 0.000 1.193 268 I CB -0.051 37.832 38.000 -0.195 0.000 1.221 268 I HN -0.030 nan 8.210 nan 0.000 0.429 269 H N 0.607 119.716 119.070 0.064 0.000 2.755 269 H HA 0.376 4.932 4.556 -0.000 0.000 0.273 269 H C 1.282 176.609 175.328 -0.002 0.000 1.055 269 H CA 0.529 56.592 56.048 0.024 0.000 1.191 269 H CB 0.612 30.384 29.762 0.017 0.000 1.536 269 H HN 0.259 nan 8.280 nan 0.000 0.529 270 T N -0.604 114.022 114.554 0.121 0.000 3.038 270 T HA 0.199 4.549 4.350 -0.001 0.000 0.244 270 T C -0.065 174.477 174.700 -0.262 0.000 1.016 270 T CA 0.439 62.489 62.100 -0.084 0.000 1.098 270 T CB 0.571 69.416 68.868 -0.039 0.000 0.954 270 T HN -0.068 nan 8.240 nan 0.000 0.469 271 F N 0.797 120.847 119.950 0.165 0.000 2.613 271 F HA 0.537 5.063 4.527 -0.000 0.000 0.314 271 F C 0.133 176.028 175.800 0.158 0.000 1.075 271 F CA -1.254 56.832 58.000 0.144 0.000 0.945 271 F CB 1.501 40.555 39.000 0.090 0.000 1.310 271 F HN -0.257 nan 8.300 nan 0.000 0.467 272 S N 2.131 118.042 115.700 0.352 0.000 2.549 272 S HA 0.306 4.776 4.470 -0.001 0.000 0.283 272 S C -0.126 174.602 174.600 0.214 0.000 1.320 272 S CA -0.569 57.829 58.200 0.329 0.000 1.058 272 S CB 0.090 63.431 63.200 0.235 0.000 0.882 272 S HN 0.349 nan 8.310 nan 0.000 0.498 273 L N 5.195 126.475 121.223 0.096 0.000 2.453 273 L HA 0.210 4.550 4.340 -0.001 0.000 0.272 273 L C -1.779 175.158 176.870 0.112 0.000 1.182 273 L CA -1.664 53.076 54.840 -0.167 0.000 0.858 273 L CB -0.106 41.482 42.059 -0.784 0.000 1.120 273 L HN 0.383 nan 8.230 nan 0.000 0.474 274 P HA 0.117 nan 4.420 nan 0.000 0.271 274 P C -2.280 175.226 177.300 0.343 0.000 1.233 274 P CA -1.426 61.798 63.100 0.208 0.000 0.764 274 P CB 0.531 32.309 31.700 0.130 0.000 0.825 275 P HA -0.190 nan 4.420 nan 0.000 0.218 275 P C 1.455 178.806 177.300 0.085 0.000 1.146 275 P CA 1.629 64.857 63.100 0.214 0.000 0.813 275 P CB -0.253 31.525 31.700 0.130 0.000 0.778 276 A N -0.449 122.418 122.820 0.079 0.000 1.978 276 A HA -0.175 4.144 4.320 -0.001 0.000 0.220 276 A C 2.058 179.646 177.584 0.007 0.000 1.170 276 A CA 1.342 53.398 52.037 0.033 0.000 0.636 276 A CB -1.594 17.427 19.000 0.035 0.000 0.810 276 A HN 0.178 nan 8.150 nan 0.000 0.448 277 L N -1.184 120.059 121.223 0.033 0.000 2.465 277 L HA -0.026 4.314 4.340 -0.001 0.000 0.224 277 L C 1.890 178.615 176.870 -0.243 0.000 1.145 277 L CA 0.587 55.421 54.840 -0.010 0.000 0.834 277 L CB -0.049 42.132 42.059 0.203 0.000 0.944 277 L HN 0.314 nan 8.230 nan 0.000 0.451 278 V N -1.363 118.299 119.914 -0.420 0.000 3.477 278 V HA 0.054 4.173 4.120 -0.001 0.000 0.297 278 V C 2.019 178.060 176.094 -0.087 0.000 1.433 278 V CA 0.160 62.220 62.300 -0.401 0.000 1.052 278 V CB 0.142 31.509 31.823 -0.760 0.000 0.895 278 V HN 0.185 nan 8.190 nan 0.000 0.438 279 K N 1.485 121.856 120.400 -0.048 0.000 2.032 279 K HA -0.136 4.183 4.320 -0.001 0.000 0.209 279 K C 2.373 179.014 176.600 0.068 0.000 1.048 279 K CA 2.097 58.400 56.287 0.027 0.000 0.927 279 K CB -0.519 31.985 32.500 0.007 0.000 0.712 279 K HN 0.706 nan 8.250 nan 0.000 0.441 280 S N 0.811 116.526 115.700 0.026 0.000 2.383 280 S HA -0.131 4.339 4.470 -0.001 0.000 0.227 280 S C 1.556 176.169 174.600 0.023 0.000 1.026 280 S CA 1.268 59.483 58.200 0.025 0.000 0.981 280 S CB -0.244 62.960 63.200 0.006 0.000 0.818 280 S HN 0.187 nan 8.310 nan 0.000 0.472 281 D N 0.609 121.016 120.400 0.012 0.000 2.097 281 D HA -0.092 4.548 4.640 -0.001 0.000 0.195 281 D C 1.670 177.965 176.300 -0.009 0.000 0.989 281 D CA 1.394 55.390 54.000 -0.006 0.000 0.827 281 D CB -0.710 40.087 40.800 -0.005 0.000 0.966 281 D HN 0.546 nan 8.370 nan 0.000 0.456 282 Y N 1.504 121.747 120.300 -0.095 0.000 2.151 282 Y HA -0.322 4.228 4.550 -0.001 0.000 0.284 282 Y C 2.501 178.372 175.900 -0.049 0.000 1.166 282 Y CA 2.092 60.096 58.100 -0.160 0.000 1.163 282 Y CB -0.199 38.169 38.460 -0.154 0.000 0.974 282 Y HN -0.103 nan 8.280 nan 0.000 0.511 283 Q N 0.568 120.430 119.800 0.104 0.000 2.135 283 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 283 Q C 2.222 178.242 176.000 0.033 0.000 0.981 283 Q CA 1.920 57.772 55.803 0.082 0.000 0.856 283 Q CB -0.232 28.554 28.738 0.079 0.000 0.902 283 Q HN 0.454 nan 8.270 nan 0.000 0.425 284 R N -0.578 119.911 120.500 -0.018 0.000 2.081 284 R HA -0.099 4.240 4.340 -0.001 0.000 0.235 284 R C 2.374 178.647 176.300 -0.046 0.000 1.131 284 R CA 1.536 57.616 56.100 -0.034 0.000 0.960 284 R CB -0.453 29.806 30.300 -0.069 0.000 0.856 284 R HN 0.312 nan 8.270 nan 0.000 0.436 285 L N -0.772 120.375 121.223 -0.125 0.000 2.017 285 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 285 L C 2.436 179.345 176.870 0.065 0.000 1.073 285 L CA 1.373 56.160 54.840 -0.088 0.000 0.745 285 L CB -0.623 41.274 42.059 -0.270 0.000 0.894 285 L HN 0.178 nan 8.230 nan 0.000 0.432 286 Y N 1.004 121.151 120.300 -0.256 0.000 2.128 286 Y HA -0.354 4.196 4.550 -0.001 0.000 0.284 286 Y C 2.702 178.569 175.900 -0.056 0.000 1.154 286 Y CA 2.185 60.168 58.100 -0.195 0.000 1.149 286 Y CB -0.166 38.148 38.460 -0.242 0.000 0.976 286 Y HN 0.212 nan 8.280 nan 0.000 0.505 287 E N -0.569 119.692 120.200 0.102 0.000 2.049 287 E HA -0.322 4.028 4.350 -0.001 0.000 0.198 287 E C 2.188 178.730 176.600 -0.097 0.000 1.007 287 E CA 1.698 58.114 56.400 0.025 0.000 0.809 287 E CB -0.624 29.113 29.700 0.061 0.000 0.749 287 E HN 0.536 nan 8.360 nan 0.000 0.450 288 F N 0.259 120.093 119.950 -0.192 0.000 2.091 288 F HA -0.238 4.289 4.527 -0.000 0.000 0.299 288 F C 1.825 177.360 175.800 -0.442 0.000 1.103 288 F CA 1.788 59.607 58.000 -0.301 0.000 1.228 288 F CB -0.474 38.315 39.000 -0.352 0.000 0.984 288 F HN 0.037 nan 8.300 nan 0.000 0.477 289 F N -0.250 119.495 119.950 -0.341 0.000 2.146 289 F HA -0.156 4.370 4.527 -0.001 0.000 0.298 289 F C 2.209 177.626 175.800 -0.637 0.000 1.096 289 F CA 1.309 58.965 58.000 -0.573 0.000 1.275 289 F CB -1.089 37.654 39.000 -0.429 0.000 1.008 289 F HN 0.056 nan 8.300 nan 0.000 0.480 290 L N 0.483 121.424 121.223 -0.471 0.000 2.042 290 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 290 L C 2.044 178.716 176.870 -0.330 0.000 1.076 290 L CA 1.966 56.546 54.840 -0.435 0.000 0.749 290 L CB -0.697 41.085 42.059 -0.462 0.000 0.893 290 L HN 0.161 nan 8.230 nan 0.000 0.432 291 E N -1.463 118.525 120.200 -0.352 0.000 2.216 291 E HA -0.072 4.277 4.350 -0.001 0.000 0.192 291 E C 1.918 178.301 176.600 -0.361 0.000 0.988 291 E CA 1.021 57.242 56.400 -0.298 0.000 0.834 291 E CB 0.074 29.623 29.700 -0.251 0.000 0.772 291 E HN 0.485 nan 8.360 nan 0.000 0.479 292 S N 0.297 115.657 115.700 -0.566 0.000 2.492 292 S HA 0.133 4.603 4.470 -0.001 0.000 0.218 292 S C 1.579 175.959 174.600 -0.367 0.000 1.016 292 S CA 0.252 58.110 58.200 -0.571 0.000 0.916 292 S CB 0.729 63.300 63.200 -1.047 0.000 0.791 292 S HN 0.222 nan 8.310 nan 0.000 0.513 293 A N 1.512 124.105 122.820 -0.379 0.000 2.411 293 A HA 0.540 4.860 4.320 -0.001 0.000 0.251 293 A C 1.855 179.413 177.584 -0.045 0.000 1.317 293 A CA 0.374 52.304 52.037 -0.179 0.000 0.904 293 A CB -0.922 17.931 19.000 -0.245 0.000 0.993 293 A HN 0.414 nan 8.150 nan 0.000 0.504 294 G N 0.563 109.325 108.800 -0.062 0.000 2.529 294 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.219 294 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.219 294 G C 1.377 176.288 174.900 0.018 0.000 1.177 294 G CA 1.238 46.318 45.100 -0.033 0.000 0.773 294 G HN 0.672 nan 8.290 nan 0.000 0.573 295 E N -0.148 120.089 120.200 0.061 0.000 2.085 295 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 295 E C 2.471 179.173 176.600 0.169 0.000 0.994 295 E CA 0.919 57.385 56.400 0.110 0.000 0.801 295 E CB -0.097 29.678 29.700 0.125 0.000 0.743 295 E HN 0.366 nan 8.360 nan 0.000 0.453 296 I N 1.054 121.737 120.570 0.188 0.000 2.439 296 I HA -0.201 3.969 4.170 -0.001 0.000 0.251 296 I C 2.316 178.473 176.117 0.066 0.000 1.139 296 I CA 0.930 62.363 61.300 0.221 0.000 1.438 296 I CB -0.966 37.178 38.000 0.240 0.000 1.085 296 I HN 0.272 nan 8.210 nan 0.000 0.427 297 L N -0.209 121.027 121.223 0.022 0.000 2.201 297 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 297 L C 2.566 179.406 176.870 -0.051 0.000 1.105 297 L CA 0.445 55.265 54.840 -0.033 0.000 0.775 297 L CB -0.458 41.570 42.059 -0.051 0.000 0.913 297 L HN 0.021 nan 8.230 nan 0.000 0.440 298 V N -0.029 119.862 119.914 -0.040 0.000 2.343 298 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 298 V C 2.506 178.519 176.094 -0.135 0.000 1.051 298 V CA 1.932 64.195 62.300 -0.062 0.000 1.036 298 V CB -0.293 31.512 31.823 -0.029 0.000 0.654 298 V HN 0.425 nan 8.190 nan 0.000 0.451 299 E N 0.667 120.732 120.200 -0.226 0.000 2.106 299 E HA -0.147 4.202 4.350 -0.001 0.000 0.192 299 E C 2.139 178.588 176.600 -0.252 0.000 0.984 299 E CA 1.479 57.626 56.400 -0.422 0.000 0.806 299 E CB -0.461 28.656 29.700 -0.972 0.000 0.750 299 E HN 0.502 nan 8.360 nan 0.000 0.458 300 A N 1.025 123.750 122.820 -0.158 0.000 1.892 300 A HA -0.261 4.058 4.320 -0.001 0.000 0.218 300 A C 1.904 179.434 177.584 -0.091 0.000 1.188 300 A CA 2.084 54.057 52.037 -0.107 0.000 0.631 300 A CB -0.949 18.004 19.000 -0.078 0.000 0.822 300 A HN 0.314 nan 8.150 nan 0.000 0.447 301 D N -0.262 120.088 120.400 -0.083 0.000 2.116 301 D HA -0.169 4.471 4.640 -0.001 0.000 0.193 301 D C 1.910 178.169 176.300 -0.068 0.000 0.998 301 D CA 1.761 55.723 54.000 -0.063 0.000 0.836 301 D CB -0.309 40.457 40.800 -0.056 0.000 0.951 301 D HN 0.545 nan 8.370 nan 0.000 0.449 302 K N -0.138 120.205 120.400 -0.095 0.000 2.148 302 K HA 0.037 4.357 4.320 -0.001 0.000 0.204 302 K C 2.054 178.605 176.600 -0.082 0.000 1.050 302 K CA 0.365 56.598 56.287 -0.091 0.000 0.942 302 K CB -0.011 32.414 32.500 -0.125 0.000 0.724 302 K HN 0.135 nan 8.250 nan 0.000 0.446 303 L N -0.212 120.954 121.223 -0.095 0.000 2.552 303 L HA 0.050 4.390 4.340 -0.001 0.000 0.227 303 L C 0.957 177.797 176.870 -0.049 0.000 1.146 303 L CA 0.409 55.204 54.840 -0.074 0.000 0.858 303 L CB -0.078 41.928 42.059 -0.089 0.000 0.969 303 L HN 0.453 nan 8.230 nan 0.000 0.451 304 G N 0.846 109.619 108.800 -0.044 0.000 2.137 304 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.237 304 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.237 304 G C 0.079 174.966 174.900 -0.021 0.000 1.002 304 G CA -0.128 44.956 45.100 -0.027 0.000 0.702 304 G HN 0.294 nan 8.290 nan 0.000 0.515 305 I N 1.651 122.200 120.570 -0.034 0.000 2.437 305 I HA 0.463 4.633 4.170 -0.001 0.000 0.298 305 I C 1.237 177.338 176.117 -0.027 0.000 0.984 305 I CA -0.423 60.857 61.300 -0.032 0.000 1.214 305 I CB 1.725 39.691 38.000 -0.055 0.000 1.365 305 I HN 0.325 nan 8.210 nan 0.000 0.469 306 S N 5.462 121.157 115.700 -0.009 0.000 2.579 306 S HA 0.229 4.699 4.470 -0.001 0.000 0.275 306 S C 1.034 175.620 174.600 -0.022 0.000 1.345 306 S CA -0.463 57.739 58.200 0.004 0.000 1.031 306 S CB 1.018 64.249 63.200 0.052 0.000 0.892 306 S HN 0.628 nan 8.310 nan 0.000 0.529 307 R N 0.795 121.287 120.500 -0.013 0.000 2.115 307 R HA -0.099 4.241 4.340 -0.001 0.000 0.230 307 R C 2.335 178.617 176.300 -0.030 0.000 1.111 307 R CA 1.512 57.590 56.100 -0.036 0.000 0.976 307 R CB -0.377 29.903 30.300 -0.033 0.000 0.870 307 R HN 0.932 nan 8.270 nan 0.000 0.445 308 E N 1.381 121.604 120.200 0.038 0.000 2.031 308 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 308 E C 1.891 178.478 176.600 -0.022 0.000 0.994 308 E CA 1.389 57.858 56.400 0.114 0.000 0.800 308 E CB 0.057 29.896 29.700 0.232 0.000 0.752 308 E HN 0.319 nan 8.360 nan 0.000 0.447 309 E N -0.068 120.017 120.200 -0.192 0.000 2.077 309 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 309 E C 1.951 178.395 176.600 -0.260 0.000 0.989 309 E CA 1.124 57.194 56.400 -0.549 0.000 0.800 309 E CB -0.198 29.209 29.700 -0.488 0.000 0.746 309 E HN 0.358 nan 8.360 nan 0.000 0.452 310 A N 0.230 122.958 122.820 -0.153 0.000 1.883 310 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 310 A C 2.410 179.923 177.584 -0.118 0.000 1.186 310 A CA 2.189 54.158 52.037 -0.113 0.000 0.624 310 A CB -1.069 17.877 19.000 -0.090 0.000 0.822 310 A HN 0.362 nan 8.150 nan 0.000 0.444 311 T N -0.861 113.594 114.554 -0.165 0.000 2.708 311 T HA -0.143 4.207 4.350 -0.001 0.000 0.266 311 T C 1.721 176.290 174.700 -0.219 0.000 1.037 311 T CA 1.894 63.828 62.100 -0.278 0.000 1.146 311 T CB -0.495 68.054 68.868 -0.531 0.000 0.865 311 T HN 0.741 nan 8.240 nan 0.000 0.435 312 H N 0.946 120.046 119.070 0.050 0.000 2.387 312 H HA -0.037 4.518 4.556 -0.001 0.000 0.299 312 H C 2.391 177.763 175.328 0.074 0.000 1.099 312 H CA 1.571 57.708 56.048 0.147 0.000 1.315 312 H CB -0.120 29.753 29.762 0.185 0.000 1.380 312 H HN 0.325 nan 8.280 nan 0.000 0.513 313 N N -0.127 118.626 118.700 0.088 0.000 2.188 313 N HA -0.081 4.659 4.740 -0.001 0.000 0.184 313 N C 1.523 177.061 175.510 0.048 0.000 1.018 313 N CA 0.663 53.752 53.050 0.065 0.000 0.858 313 N CB 0.023 38.498 38.487 -0.019 0.000 0.989 313 N HN 0.219 nan 8.380 nan 0.000 0.426 314 L N 0.297 121.488 121.223 -0.052 0.000 2.056 314 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 314 L C 2.233 178.909 176.870 -0.324 0.000 1.078 314 L CA 0.741 55.533 54.840 -0.080 0.000 0.749 314 L CB -0.474 41.561 42.059 -0.039 0.000 0.901 314 L HN 0.261 nan 8.230 nan 0.000 0.433 315 L N -0.856 119.982 121.223 -0.640 0.000 1.989 315 L HA -0.300 4.040 4.340 -0.001 0.000 0.211 315 L C 2.569 179.279 176.870 -0.266 0.000 1.071 315 L CA 1.695 55.907 54.840 -1.046 0.000 0.749 315 L CB -0.295 41.330 42.059 -0.723 0.000 0.890 315 L HN 0.102 nan 8.230 nan 0.000 0.431 316 F N 0.183 120.119 119.950 -0.023 0.000 2.102 316 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 316 F C 2.391 178.365 175.800 0.290 0.000 1.105 316 F CA 1.617 59.788 58.000 0.286 0.000 1.239 316 F CB -0.311 38.860 39.000 0.286 0.000 0.991 316 F HN 0.166 nan 8.300 nan 0.000 0.474 317 A N -0.857 122.200 122.820 0.396 0.000 1.933 317 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 317 A C 2.130 179.895 177.584 0.301 0.000 1.175 317 A CA 2.237 54.464 52.037 0.316 0.000 0.628 317 A CB -1.280 17.820 19.000 0.168 0.000 0.814 317 A HN 0.433 nan 8.150 nan 0.000 0.444 318 T N -1.339 113.381 114.554 0.277 0.000 2.851 318 T HA -0.098 4.252 4.350 -0.001 0.000 0.262 318 T C 1.899 176.876 174.700 0.461 0.000 1.043 318 T CA 1.489 63.854 62.100 0.441 0.000 1.140 318 T CB -0.425 68.818 68.868 0.625 0.000 0.872 318 T HN 0.578 nan 8.240 nan 0.000 0.446 319 C N 0.100 119.623 119.300 0.372 0.000 2.538 319 C HA 0.306 4.766 4.460 -0.001 0.000 0.281 319 C C 2.273 177.564 174.990 0.502 0.000 1.320 319 C CA -0.535 58.744 59.018 0.434 0.000 1.714 319 C CB -1.139 26.773 27.740 0.288 0.000 2.095 319 C HN 0.548 nan 8.230 nan 0.000 0.497 320 F N 2.285 122.344 119.950 0.181 0.000 2.094 320 F HA -0.023 4.504 4.527 -0.001 0.000 0.291 320 F C 2.102 177.939 175.800 0.063 0.000 1.109 320 F CA 1.963 59.938 58.000 -0.041 0.000 1.221 320 F CB -0.416 38.058 39.000 -0.877 0.000 1.014 320 F HN 0.207 nan 8.300 nan 0.000 0.473 321 N N -0.791 118.160 118.700 0.417 0.000 2.062 321 N HA -0.130 4.609 4.740 -0.001 0.000 0.191 321 N C 1.569 177.264 175.510 0.308 0.000 1.042 321 N CA 2.155 55.442 53.050 0.396 0.000 0.845 321 N CB -0.542 38.191 38.487 0.410 0.000 1.024 321 N HN 0.182 nan 8.380 nan 0.000 0.424 322 T N -0.505 114.256 114.554 0.346 0.000 2.668 322 T HA -0.131 4.219 4.350 -0.001 0.000 0.258 322 T C 1.390 176.269 174.700 0.299 0.000 1.051 322 T CA 0.861 63.166 62.100 0.342 0.000 1.155 322 T CB -0.623 68.484 68.868 0.399 0.000 0.864 322 T HN 0.382 nan 8.240 nan 0.000 0.413 323 W N 1.954 123.360 121.300 0.176 0.000 2.358 323 W HA -0.007 4.653 4.660 -0.001 0.000 0.303 323 W C 2.449 179.002 176.519 0.057 0.000 1.208 323 W CA 1.302 58.729 57.345 0.136 0.000 1.274 323 W CB -0.769 28.839 29.460 0.247 0.000 1.138 323 W HN 0.298 nan 8.180 nan 0.000 0.515 324 G N 0.050 108.982 108.800 0.219 0.000 2.418 324 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.217 324 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.217 324 G C 1.667 176.471 174.900 -0.159 0.000 1.158 324 G CA 1.108 46.166 45.100 -0.071 0.000 0.771 324 G HN 0.504 nan 8.290 nan 0.000 0.545 325 G N 0.822 109.595 108.800 -0.045 0.000 2.421 325 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 325 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 325 G C 1.896 176.713 174.900 -0.139 0.000 1.171 325 G CA 0.986 46.072 45.100 -0.023 0.000 0.775 325 G HN 0.423 nan 8.290 nan 0.000 0.543 326 M N 0.121 119.576 119.600 -0.243 0.000 2.229 326 M HA 0.029 4.508 4.480 -0.001 0.000 0.264 326 M C 2.436 178.451 176.300 -0.474 0.000 1.063 326 M CA 1.290 56.288 55.300 -0.503 0.000 1.114 326 M CB -0.168 32.039 32.600 -0.656 0.000 1.387 326 M HN 0.195 nan 8.290 nan 0.000 0.420 327 K N 1.200 121.286 120.400 -0.523 0.000 2.103 327 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 327 K C 1.544 178.004 176.600 -0.233 0.000 1.048 327 K CA 1.376 57.357 56.287 -0.511 0.000 0.930 327 K CB -0.042 31.989 32.500 -0.782 0.000 0.716 327 K HN 0.316 nan 8.250 nan 0.000 0.444 328 I N 0.199 120.671 120.570 -0.162 0.000 2.339 328 I HA -0.187 3.982 4.170 -0.001 0.000 0.245 328 I C 2.168 178.291 176.117 0.011 0.000 1.096 328 I CA 0.224 61.496 61.300 -0.047 0.000 1.408 328 I CB -0.144 37.845 38.000 -0.019 0.000 1.092 328 I HN 0.150 nan 8.210 nan 0.000 0.423 329 L N 0.433 121.653 121.223 -0.005 0.000 2.005 329 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 329 L C 2.282 179.289 176.870 0.229 0.000 1.072 329 L CA 2.036 56.925 54.840 0.083 0.000 0.744 329 L CB -0.698 41.383 42.059 0.036 0.000 0.895 329 L HN 0.009 nan 8.230 nan 0.000 0.433 330 F N 0.249 120.139 119.950 -0.100 0.000 2.102 330 F HA -0.051 4.475 4.527 -0.001 0.000 0.298 330 F C -0.148 175.680 175.800 0.047 0.000 1.105 330 F CA 0.989 58.897 58.000 -0.154 0.000 1.239 330 F CB -2.593 36.186 39.000 -0.368 0.000 0.991 330 F HN 0.198 nan 8.300 nan 0.000 0.474 331 P HA -0.131 nan 4.420 nan 0.000 0.217 331 P C 1.097 178.443 177.300 0.076 0.000 1.150 331 P CA 1.758 64.981 63.100 0.206 0.000 0.832 331 P CB -0.178 31.654 31.700 0.220 0.000 0.787 332 N N -1.131 117.628 118.700 0.097 0.000 2.120 332 N HA -0.117 4.623 4.740 -0.001 0.000 0.188 332 N C 1.731 177.276 175.510 0.059 0.000 1.024 332 N CA 1.108 54.204 53.050 0.076 0.000 0.852 332 N CB -0.371 38.175 38.487 0.099 0.000 1.003 332 N HN 0.109 nan 8.380 nan 0.000 0.424 333 M N 0.298 119.959 119.600 0.103 0.000 2.086 333 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 333 M C 2.157 178.499 176.300 0.070 0.000 1.067 333 M CA 1.178 56.544 55.300 0.111 0.000 1.116 333 M CB -0.247 32.466 32.600 0.188 0.000 1.348 333 M HN 0.009 nan 8.290 nan 0.000 0.407 334 V N 0.720 120.644 119.914 0.016 0.000 2.287 334 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 334 V C 2.363 178.463 176.094 0.010 0.000 1.053 334 V CA 2.125 64.365 62.300 -0.100 0.000 1.027 334 V CB -0.794 30.716 31.823 -0.521 0.000 0.646 334 V HN 0.484 nan 8.190 nan 0.000 0.447 335 K N -0.326 120.045 120.400 -0.048 0.000 2.026 335 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 335 K C 2.431 178.975 176.600 -0.094 0.000 1.048 335 K CA 1.335 57.594 56.287 -0.046 0.000 0.929 335 K CB -0.071 32.408 32.500 -0.034 0.000 0.713 335 K HN 0.213 nan 8.250 nan 0.000 0.439 336 R N 0.557 120.941 120.500 -0.192 0.000 2.093 336 R HA 0.027 4.367 4.340 -0.001 0.000 0.224 336 R C 2.346 178.326 176.300 -0.535 0.000 1.101 336 R CA 1.046 56.821 56.100 -0.542 0.000 0.979 336 R CB -0.573 29.175 30.300 -0.921 0.000 0.877 336 R HN 0.358 nan 8.270 nan 0.000 0.441 337 I N 0.109 120.574 120.570 -0.175 0.000 2.252 337 I HA -0.153 4.017 4.170 -0.001 0.000 0.245 337 I C 2.455 178.672 176.117 0.166 0.000 1.102 337 I CA 1.465 62.825 61.300 0.100 0.000 1.385 337 I CB -0.739 37.438 38.000 0.294 0.000 1.064 337 I HN 0.211 nan 8.210 nan 0.000 0.414 338 G N 0.915 109.791 108.800 0.127 0.000 2.446 338 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 338 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 338 G C 1.794 176.640 174.900 -0.090 0.000 1.168 338 G CA 0.501 45.591 45.100 -0.017 0.000 0.771 338 G HN 0.321 nan 8.290 nan 0.000 0.551 339 R N 0.428 120.862 120.500 -0.111 0.000 2.276 339 R HA 0.221 4.561 4.340 -0.001 0.000 0.203 339 R C 2.742 178.940 176.300 -0.171 0.000 1.017 339 R CA 0.533 56.541 56.100 -0.154 0.000 1.010 339 R CB -0.090 30.124 30.300 -0.145 0.000 0.900 339 R HN 0.350 nan 8.270 nan 0.000 0.469 340 A N 1.150 123.889 122.820 -0.134 0.000 2.067 340 A HA 0.157 4.477 4.320 -0.001 0.000 0.219 340 A C 1.024 178.497 177.584 -0.185 0.000 1.158 340 A CA 1.110 53.111 52.037 -0.061 0.000 0.661 340 A CB -0.222 18.847 19.000 0.114 0.000 0.801 340 A HN 0.432 nan 8.150 nan 0.000 0.452 341 G N -2.718 105.846 108.800 -0.394 0.000 2.662 341 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.686 341 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.686 341 G C 0.016 174.483 174.900 -0.722 0.000 1.271 341 G CA 0.046 44.811 45.100 -0.558 0.000 0.816 341 G HN 0.560 nan 8.290 nan 0.000 0.608 342 H N 0.308 119.068 119.070 -0.517 0.000 2.457 342 H HA -0.047 4.509 4.556 -0.001 0.000 0.294 342 H C 2.771 177.971 175.328 -0.212 0.000 1.064 342 H CA 1.760 57.566 56.048 -0.404 0.000 1.330 342 H CB 0.253 29.894 29.762 -0.202 0.000 1.395 342 H HN 0.529 nan 8.280 nan 0.000 0.541 343 Q N 0.331 120.086 119.800 -0.075 0.000 2.084 343 Q HA -0.106 4.234 4.340 -0.001 0.000 0.202 343 Q C 2.488 178.451 176.000 -0.062 0.000 0.978 343 Q CA 1.355 57.126 55.803 -0.054 0.000 0.844 343 Q CB -0.080 28.621 28.738 -0.063 0.000 0.898 343 Q HN 0.264 nan 8.270 nan 0.000 0.426 344 V N 0.317 120.179 119.914 -0.086 0.000 2.358 344 V HA -0.280 3.839 4.120 -0.001 0.000 0.246 344 V C 1.866 177.930 176.094 -0.050 0.000 1.047 344 V CA 1.959 64.225 62.300 -0.056 0.000 1.035 344 V CB -0.673 31.141 31.823 -0.015 0.000 0.658 344 V HN 0.504 nan 8.190 nan 0.000 0.452 345 H N 0.243 119.217 119.070 -0.160 0.000 2.319 345 H HA -0.175 4.381 4.556 -0.001 0.000 0.299 345 H C 2.335 177.508 175.328 -0.259 0.000 1.092 345 H CA 1.523 57.438 56.048 -0.222 0.000 1.302 345 H CB -0.004 29.807 29.762 0.082 0.000 1.373 345 H HN 0.417 nan 8.280 nan 0.000 0.497 346 N N 0.744 119.454 118.700 0.016 0.000 2.166 346 N HA -0.108 4.632 4.740 -0.001 0.000 0.186 346 N C 1.879 177.336 175.510 -0.089 0.000 1.019 346 N CA 0.865 53.900 53.050 -0.024 0.000 0.856 346 N CB -0.248 38.235 38.487 -0.005 0.000 0.993 346 N HN 0.361 nan 8.380 nan 0.000 0.426 347 R N 0.371 120.804 120.500 -0.111 0.000 2.075 347 R HA 0.047 4.387 4.340 -0.001 0.000 0.232 347 R C 2.233 178.423 176.300 -0.184 0.000 1.126 347 R CA 0.659 56.687 56.100 -0.120 0.000 0.963 347 R CB -0.484 29.757 30.300 -0.099 0.000 0.858 347 R HN 0.227 nan 8.270 nan 0.000 0.435 348 L N 0.294 121.322 121.223 -0.325 0.000 2.017 348 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 348 L C 2.747 179.398 176.870 -0.364 0.000 1.073 348 L CA 1.412 55.974 54.840 -0.463 0.000 0.745 348 L CB -0.639 40.857 42.059 -0.939 0.000 0.894 348 L HN 0.218 nan 8.230 nan 0.000 0.432 349 A N -0.110 122.498 122.820 -0.353 0.000 1.908 349 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 349 A C 2.187 179.736 177.584 -0.059 0.000 1.181 349 A CA 2.138 54.130 52.037 -0.076 0.000 0.627 349 A CB -0.549 18.477 19.000 0.043 0.000 0.818 349 A HN 0.443 nan 8.150 nan 0.000 0.445 350 E N 0.257 120.412 120.200 -0.076 0.000 2.051 350 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 350 E C 1.979 178.547 176.600 -0.053 0.000 0.991 350 E CA 1.843 58.211 56.400 -0.053 0.000 0.799 350 E CB -0.393 29.276 29.700 -0.050 0.000 0.748 350 E HN 0.709 nan 8.360 nan 0.000 0.449 351 E N -0.056 120.101 120.200 -0.071 0.000 2.031 351 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 351 E C 2.241 178.811 176.600 -0.049 0.000 0.994 351 E CA 1.620 57.985 56.400 -0.059 0.000 0.800 351 E CB -0.283 29.374 29.700 -0.072 0.000 0.752 351 E HN 0.402 nan 8.360 nan 0.000 0.447 352 I N 0.755 121.291 120.570 -0.056 0.000 2.163 352 I HA -0.299 3.870 4.170 -0.001 0.000 0.243 352 I C 2.753 178.853 176.117 -0.029 0.000 1.085 352 I CA 1.372 62.649 61.300 -0.039 0.000 1.347 352 I CB -0.274 37.711 38.000 -0.024 0.000 1.044 352 I HN 0.104 nan 8.210 nan 0.000 0.408 353 R N -0.251 120.233 120.500 -0.027 0.000 2.115 353 R HA -0.081 4.259 4.340 -0.001 0.000 0.226 353 R C 2.478 178.766 176.300 -0.021 0.000 1.100 353 R CA 1.365 57.451 56.100 -0.023 0.000 0.980 353 R CB -0.540 29.747 30.300 -0.023 0.000 0.875 353 R HN 0.282 nan 8.270 nan 0.000 0.445 354 S N 0.691 116.377 115.700 -0.022 0.000 2.355 354 S HA -0.084 4.385 4.470 -0.001 0.000 0.222 354 S C 2.080 176.672 174.600 -0.014 0.000 1.031 354 S CA 1.042 59.231 58.200 -0.018 0.000 0.993 354 S CB -0.060 63.127 63.200 -0.021 0.000 0.859 354 S HN 0.086 nan 8.310 nan 0.000 0.453 355 V N 2.011 121.915 119.914 -0.016 0.000 2.343 355 V HA -0.133 3.987 4.120 -0.001 0.000 0.247 355 V C 2.244 178.336 176.094 -0.004 0.000 1.051 355 V CA 1.869 64.164 62.300 -0.010 0.000 1.036 355 V CB -0.608 31.207 31.823 -0.012 0.000 0.654 355 V HN 0.503 nan 8.190 nan 0.000 0.451 356 I N -0.237 120.329 120.570 -0.006 0.000 2.226 356 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 356 I C 2.576 178.694 176.117 0.001 0.000 1.100 356 I CA 1.779 63.079 61.300 0.001 0.000 1.374 356 I CB -0.430 37.568 38.000 -0.003 0.000 1.057 356 I HN 0.265 nan 8.210 nan 0.000 0.413 357 K N 0.880 121.277 120.400 -0.005 0.000 2.032 357 K HA -0.178 4.142 4.320 -0.001 0.000 0.209 357 K C 2.198 178.796 176.600 -0.002 0.000 1.048 357 K CA 1.899 58.183 56.287 -0.005 0.000 0.927 357 K CB -0.025 32.470 32.500 -0.008 0.000 0.712 357 K HN 0.144 nan 8.250 nan 0.000 0.441 358 S N 0.896 116.594 115.700 -0.003 0.000 2.447 358 S HA -0.092 4.378 4.470 -0.001 0.000 0.233 358 S C 1.353 175.954 174.600 0.001 0.000 1.006 358 S CA 1.062 59.261 58.200 -0.002 0.000 0.957 358 S CB -0.256 62.942 63.200 -0.003 0.000 0.773 358 S HN 0.379 nan 8.310 nan 0.000 0.507 359 N N 0.557 119.259 118.700 0.004 0.000 2.461 359 N HA 0.099 4.839 4.740 -0.001 0.000 0.188 359 N C 0.983 176.498 175.510 0.008 0.000 1.134 359 N CA 0.717 53.771 53.050 0.008 0.000 0.878 359 N CB 0.062 38.557 38.487 0.014 0.000 0.972 359 N HN 0.390 nan 8.380 nan 0.000 0.456 360 G N -1.667 107.136 108.800 0.006 0.000 2.144 360 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.218 360 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.218 360 G C 0.796 175.700 174.900 0.008 0.000 0.988 360 G CA 0.082 45.185 45.100 0.006 0.000 0.659 360 G HN 0.955 nan 8.290 nan 0.000 0.522 361 G N -1.505 107.300 108.800 0.009 0.000 2.176 361 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.232 361 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.232 361 G C -0.109 174.802 174.900 0.018 0.000 0.986 361 G CA 0.860 45.965 45.100 0.009 0.000 0.643 361 G HN 1.074 nan 8.290 nan 0.000 0.522 362 E N -0.666 119.550 120.200 0.027 0.000 2.312 362 E HA 0.592 4.942 4.350 -0.001 0.000 0.267 362 E C -0.840 175.799 176.600 0.065 0.000 0.894 362 E CA -1.062 55.366 56.400 0.047 0.000 0.773 362 E CB 2.413 32.140 29.700 0.046 0.000 1.241 362 E HN 0.228 nan 8.360 nan 0.000 0.432 363 L N 2.017 123.307 121.223 0.110 0.000 2.290 363 L HA 0.304 4.644 4.340 -0.001 0.000 0.284 363 L C -0.087 176.934 176.870 0.252 0.000 1.078 363 L CA 0.320 55.258 54.840 0.162 0.000 0.815 363 L CB 0.753 42.903 42.059 0.152 0.000 1.162 363 L HN 0.634 nan 8.230 nan 0.000 0.435 364 T N 1.524 116.188 114.554 0.184 0.000 2.907 364 T HA 0.344 4.693 4.350 -0.001 0.000 0.290 364 T C 1.146 175.943 174.700 0.161 0.000 1.066 364 T CA -0.932 61.228 62.100 0.099 0.000 1.012 364 T CB 1.080 69.952 68.868 0.006 0.000 1.184 364 T HN 0.483 nan 8.240 nan 0.000 0.522 365 M N 0.892 120.528 119.600 0.060 0.000 2.149 365 M HA 0.005 4.485 4.480 -0.001 0.000 0.261 365 M C 2.504 178.844 176.300 0.067 0.000 1.064 365 M CA 2.199 57.563 55.300 0.107 0.000 1.102 365 M CB -1.906 30.711 32.600 0.028 0.000 1.369 365 M HN 0.983 nan 8.290 nan 0.000 0.408 366 G N -0.279 108.542 108.800 0.034 0.000 2.418 366 G HA2 -0.046 3.914 3.960 -0.001 0.000 0.217 366 G HA3 -0.046 3.914 3.960 -0.001 0.000 0.217 366 G C 1.685 176.603 174.900 0.030 0.000 1.158 366 G CA 1.161 46.276 45.100 0.026 0.000 0.771 366 G HN 0.547 nan 8.290 nan 0.000 0.545 367 A N 0.968 123.811 122.820 0.039 0.000 1.883 367 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 367 A C 2.390 179.988 177.584 0.024 0.000 1.186 367 A CA 1.365 53.421 52.037 0.032 0.000 0.624 367 A CB -0.411 18.613 19.000 0.041 0.000 0.822 367 A HN 0.377 nan 8.150 nan 0.000 0.444 368 I N -0.221 120.372 120.570 0.037 0.000 2.208 368 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 368 I C 2.219 178.336 176.117 -0.000 0.000 1.097 368 I CA 1.349 62.653 61.300 0.006 0.000 1.363 368 I CB -0.378 37.628 38.000 0.010 0.000 1.051 368 I HN 0.283 nan 8.210 nan 0.000 0.413 369 E N 1.048 121.258 120.200 0.018 0.000 2.338 369 E HA -0.168 4.182 4.350 -0.001 0.000 0.197 369 E C 1.857 178.468 176.600 0.018 0.000 1.007 369 E CA 0.939 57.352 56.400 0.021 0.000 0.849 369 E CB -0.133 29.586 29.700 0.030 0.000 0.774 369 E HN 0.543 nan 8.360 nan 0.000 0.506 370 K N -0.181 120.226 120.400 0.011 0.000 2.426 370 K HA 0.163 4.483 4.320 -0.001 0.000 0.193 370 K C 0.747 177.347 176.600 -0.001 0.000 1.028 370 K CA 0.109 56.400 56.287 0.008 0.000 1.047 370 K CB 0.153 32.656 32.500 0.006 0.000 0.821 370 K HN 0.064 nan 8.250 nan 0.000 0.513 371 M N 1.635 121.229 119.600 -0.009 0.000 3.176 371 M HA 0.083 4.563 4.480 -0.001 0.000 0.284 371 M C 0.318 176.607 176.300 -0.019 0.000 1.392 371 M CA 0.119 55.405 55.300 -0.024 0.000 1.520 371 M CB 0.275 32.851 32.600 -0.040 0.000 1.100 371 M HN 0.066 nan 8.290 nan 0.000 0.555 372 E N 0.956 121.153 120.200 -0.005 0.000 2.051 372 E HA -0.219 4.131 4.350 -0.001 0.000 0.192 372 E C 1.763 178.372 176.600 0.015 0.000 0.991 372 E CA 1.132 57.542 56.400 0.017 0.000 0.799 372 E CB 0.082 29.795 29.700 0.022 0.000 0.748 372 E HN 0.552 nan 8.360 nan 0.000 0.449 373 L N 0.932 122.148 121.223 -0.013 0.000 2.093 373 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 373 L C 2.181 179.033 176.870 -0.030 0.000 1.085 373 L CA 1.837 56.663 54.840 -0.023 0.000 0.755 373 L CB -0.636 41.390 42.059 -0.054 0.000 0.904 373 L HN 0.032 nan 8.230 nan 0.000 0.435 374 T N -0.330 114.193 114.554 -0.051 0.000 2.708 374 T HA -0.197 4.152 4.350 -0.001 0.000 0.266 374 T C 1.877 176.527 174.700 -0.083 0.000 1.037 374 T CA 1.747 63.809 62.100 -0.063 0.000 1.146 374 T CB -0.145 68.678 68.868 -0.074 0.000 0.865 374 T HN 0.354 nan 8.240 nan 0.000 0.435 375 K N 0.905 121.253 120.400 -0.087 0.000 2.057 375 K HA -0.037 4.283 4.320 -0.001 0.000 0.207 375 K C 2.783 179.309 176.600 -0.123 0.000 1.049 375 K CA 1.259 57.440 56.287 -0.177 0.000 0.931 375 K CB -0.312 32.137 32.500 -0.085 0.000 0.714 375 K HN 0.183 nan 8.250 nan 0.000 0.440 376 S N 0.868 116.615 115.700 0.078 0.000 2.356 376 S HA -0.121 4.348 4.470 -0.001 0.000 0.223 376 S C 2.006 176.714 174.600 0.180 0.000 1.032 376 S CA 1.235 59.583 58.200 0.247 0.000 1.005 376 S CB -0.220 63.094 63.200 0.190 0.000 0.867 376 S HN 0.213 nan 8.310 nan 0.000 0.449 377 V N 1.406 121.356 119.914 0.059 0.000 2.515 377 V HA -0.069 4.051 4.120 -0.001 0.000 0.250 377 V C 2.202 178.359 176.094 0.105 0.000 1.058 377 V CA 1.973 64.310 62.300 0.063 0.000 1.064 377 V CB -0.394 31.486 31.823 0.096 0.000 0.675 377 V HN 0.456 nan 8.190 nan 0.000 0.461 378 V N -0.401 119.511 119.914 -0.002 0.000 2.295 378 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 378 V C 2.299 178.376 176.094 -0.028 0.000 1.049 378 V CA 2.462 64.723 62.300 -0.065 0.000 1.024 378 V CB -0.952 30.731 31.823 -0.232 0.000 0.648 378 V HN 0.626 nan 8.190 nan 0.000 0.447 379 Y N 0.524 120.803 120.300 -0.035 0.000 2.274 379 Y HA -0.185 4.364 4.550 -0.001 0.000 0.290 379 Y C 2.536 178.436 175.900 -0.001 0.000 1.145 379 Y CA 1.596 59.598 58.100 -0.164 0.000 1.203 379 Y CB -0.569 37.576 38.460 -0.526 0.000 0.984 379 Y HN 0.335 nan 8.280 nan 0.000 0.533 380 E N -0.628 119.758 120.200 0.310 0.000 2.152 380 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 380 E C 2.130 178.902 176.600 0.286 0.000 0.983 380 E CA 1.260 57.794 56.400 0.222 0.000 0.818 380 E CB -0.483 29.076 29.700 -0.235 0.000 0.758 380 E HN 0.387 nan 8.360 nan 0.000 0.467 381 C N 0.016 119.543 119.300 0.379 0.000 2.429 381 C HA -0.054 4.405 4.460 -0.001 0.000 0.277 381 C C 2.556 177.722 174.990 0.292 0.000 1.262 381 C CA 0.658 59.943 59.018 0.445 0.000 1.733 381 C CB -1.084 26.837 27.740 0.300 0.000 2.010 381 C HN 0.448 nan 8.230 nan 0.000 0.483 382 L N 0.234 121.566 121.223 0.180 0.000 2.141 382 L HA -0.109 4.230 4.340 -0.001 0.000 0.209 382 L C 2.869 179.863 176.870 0.207 0.000 1.094 382 L CA 1.276 56.191 54.840 0.124 0.000 0.763 382 L CB -0.678 41.381 42.059 0.001 0.000 0.908 382 L HN 0.353 nan 8.230 nan 0.000 0.437 383 R N -0.208 120.425 120.500 0.221 0.000 2.062 383 R HA -0.183 4.156 4.340 -0.001 0.000 0.229 383 R C 2.396 178.791 176.300 0.158 0.000 1.128 383 R CA 1.553 57.755 56.100 0.171 0.000 0.960 383 R CB -0.300 30.094 30.300 0.156 0.000 0.855 383 R HN 0.197 nan 8.270 nan 0.000 0.432 384 F N 1.183 121.190 119.950 0.096 0.000 2.186 384 F HA 0.002 4.529 4.527 -0.001 0.000 0.299 384 F C 0.107 175.965 175.800 0.096 0.000 1.090 384 F CA 1.257 59.324 58.000 0.112 0.000 1.307 384 F CB 0.397 39.566 39.000 0.281 0.000 1.019 384 F HN -0.005 nan 8.300 nan 0.000 0.489 385 E N 0.648 120.949 120.200 0.169 0.000 2.914 385 E HA 0.222 4.572 4.350 -0.001 0.000 0.246 385 E C -2.493 174.159 176.600 0.087 0.000 1.146 385 E CA -2.218 54.216 56.400 0.057 0.000 0.803 385 E CB 0.928 30.701 29.700 0.121 0.000 1.409 385 E HN -0.021 nan 8.360 nan 0.000 0.392 386 P HA -0.026 nan 4.420 nan 0.000 0.261 386 P C -2.037 175.331 177.300 0.113 0.000 1.183 386 P CA -0.876 62.295 63.100 0.119 0.000 0.761 386 P CB 0.385 32.126 31.700 0.068 0.000 0.785 387 P HA -0.073 nan 4.420 nan 0.000 0.219 387 P C -0.051 177.332 177.300 0.138 0.000 1.150 387 P CA 1.127 64.297 63.100 0.117 0.000 0.814 387 P CB 0.297 32.053 31.700 0.094 0.000 0.787 388 V N 0.735 120.762 119.914 0.188 0.000 2.334 388 V HA 0.139 4.258 4.120 -0.001 0.000 0.281 388 V C 1.325 177.529 176.094 0.184 0.000 1.016 388 V CA 0.071 62.491 62.300 0.200 0.000 0.832 388 V CB 0.851 32.818 31.823 0.240 0.000 0.999 388 V HN 0.117 nan 8.190 nan 0.000 0.439 389 T N 0.991 115.649 114.554 0.173 0.000 3.037 389 T HA 0.332 4.682 4.350 -0.001 0.000 0.251 389 T C 0.682 175.469 174.700 0.144 0.000 1.079 389 T CA 0.550 62.697 62.100 0.078 0.000 1.067 389 T CB 0.461 69.346 68.868 0.028 0.000 0.948 389 T HN 0.701 nan 8.240 nan 0.000 0.496 390 A N 1.307 124.295 122.820 0.281 0.000 2.273 390 A HA 0.757 5.077 4.320 -0.001 0.000 0.315 390 A C -0.752 176.979 177.584 0.246 0.000 1.256 390 A CA -0.726 51.502 52.037 0.318 0.000 0.851 390 A CB 0.951 20.324 19.000 0.621 0.000 1.172 390 A HN 0.316 nan 8.150 nan 0.000 0.508 391 Q N 0.824 120.615 119.800 -0.016 0.000 2.353 391 Q HA 0.653 4.993 4.340 -0.001 0.000 0.268 391 Q C -1.640 174.248 176.000 -0.187 0.000 1.045 391 Q CA -0.063 55.754 55.803 0.024 0.000 0.811 391 Q CB 2.068 30.813 28.738 0.013 0.000 1.305 391 Q HN 0.728 nan 8.270 nan 0.000 0.447 392 Y N -0.383 119.918 120.300 0.002 0.000 2.524 392 Y HA 0.892 5.441 4.550 -0.001 0.000 0.344 392 Y C 0.483 176.359 175.900 -0.039 0.000 1.012 392 Y CA -1.050 57.057 58.100 0.012 0.000 1.068 392 Y CB 2.759 41.275 38.460 0.093 0.000 1.249 392 Y HN 0.659 nan 8.280 nan 0.000 0.468 393 G N 1.563 110.428 108.800 0.109 0.000 2.766 393 G HA2 0.469 4.429 3.960 -0.001 0.000 0.297 393 G HA3 0.469 4.429 3.960 -0.001 0.000 0.297 393 G C -2.218 172.702 174.900 0.035 0.000 1.431 393 G CA -1.033 44.090 45.100 0.039 0.000 1.042 393 G HN 0.544 nan 8.290 nan 0.000 0.542 394 R N 1.753 122.270 120.500 0.028 0.000 2.265 394 R HA 0.626 4.966 4.340 -0.001 0.000 0.319 394 R C 0.576 176.876 176.300 0.000 0.000 1.006 394 R CA -0.441 55.670 56.100 0.019 0.000 0.880 394 R CB 1.032 31.342 30.300 0.016 0.000 1.077 394 R HN 0.730 nan 8.270 nan 0.000 0.454 395 A N 4.283 127.101 122.820 -0.003 0.000 2.548 395 A HA 0.024 4.343 4.320 -0.001 0.000 0.247 395 A C 0.502 178.083 177.584 -0.006 0.000 1.067 395 A CA 0.312 52.344 52.037 -0.009 0.000 0.757 395 A CB 0.297 19.293 19.000 -0.006 0.000 0.996 395 A HN 0.957 nan 8.150 nan 0.000 0.504 396 K N 0.923 121.318 120.400 -0.008 0.000 2.314 396 K HA 0.015 4.335 4.320 -0.001 0.000 0.198 396 K C 0.420 177.017 176.600 -0.005 0.000 1.045 396 K CA 1.210 57.492 56.287 -0.007 0.000 0.988 396 K CB 0.052 32.547 32.500 -0.009 0.000 0.783 396 K HN 0.887 nan 8.250 nan 0.000 0.484 397 K N -0.185 120.212 120.400 -0.004 0.000 2.578 397 K HA 0.239 4.558 4.320 -0.001 0.000 0.287 397 K C -1.694 174.906 176.600 -0.000 0.000 1.010 397 K CA -0.969 55.317 56.287 -0.002 0.000 0.889 397 K CB 0.861 33.359 32.500 -0.002 0.000 1.514 397 K HN -0.329 nan 8.250 nan 0.000 0.424 398 D N 1.191 121.592 120.400 0.002 0.000 2.455 398 D HA 0.242 4.881 4.640 -0.001 0.000 0.241 398 D C -0.372 175.930 176.300 0.004 0.000 1.138 398 D CA 0.312 54.315 54.000 0.005 0.000 0.877 398 D CB 0.408 41.212 40.800 0.006 0.000 1.187 398 D HN 0.347 nan 8.370 nan 0.000 0.451 399 L N 1.046 122.273 121.223 0.007 0.000 2.333 399 L HA 0.567 4.907 4.340 -0.001 0.000 0.263 399 L C -0.550 176.329 176.870 0.015 0.000 1.014 399 L CA -1.242 53.601 54.840 0.005 0.000 0.820 399 L CB 2.111 44.169 42.059 -0.002 0.000 1.352 399 L HN -0.020 nan 8.230 nan 0.000 0.421 400 V N 3.009 122.930 119.914 0.012 0.000 2.378 400 V HA 0.438 4.558 4.120 -0.001 0.000 0.288 400 V C -0.147 175.961 176.094 0.023 0.000 1.016 400 V CA -0.241 62.070 62.300 0.019 0.000 0.840 400 V CB 1.680 33.502 31.823 -0.001 0.000 0.994 400 V HN 0.457 nan 8.190 nan 0.000 0.431 401 I N 4.438 125.045 120.570 0.061 0.000 2.354 401 I HA 0.402 4.572 4.170 -0.001 0.000 0.292 401 I C 0.285 176.465 176.117 0.106 0.000 0.989 401 I CA -0.377 60.961 61.300 0.064 0.000 1.188 401 I CB 1.491 39.526 38.000 0.058 0.000 1.342 401 I HN 0.571 nan 8.210 nan 0.000 0.457 402 E N 4.539 124.764 120.200 0.042 0.000 2.200 402 E HA 0.315 4.665 4.350 -0.001 0.000 0.283 402 E C -0.534 176.084 176.600 0.030 0.000 1.015 402 E CA -0.234 56.181 56.400 0.025 0.000 0.819 402 E CB 2.014 31.704 29.700 -0.016 0.000 1.081 402 E HN 0.536 nan 8.360 nan 0.000 0.397 403 S N 1.108 116.859 115.700 0.085 0.000 2.677 403 S HA 0.159 4.629 4.470 -0.001 0.000 0.290 403 S C 1.028 175.599 174.600 -0.049 0.000 1.124 403 S CA -0.513 57.707 58.200 0.034 0.000 1.017 403 S CB 0.521 63.871 63.200 0.250 0.000 1.215 403 S HN 0.596 nan 8.310 nan 0.000 0.524 404 H N 0.496 119.616 119.070 0.082 0.000 2.428 404 H HA 0.082 4.638 4.556 -0.001 0.000 0.296 404 H C 0.543 175.892 175.328 0.036 0.000 1.062 404 H CA 1.317 57.393 56.048 0.046 0.000 1.350 404 H CB 0.178 29.963 29.762 0.038 0.000 1.403 404 H HN 0.519 nan 8.280 nan 0.000 0.533 405 D N -0.720 119.778 120.400 0.164 0.000 2.479 405 D HA 0.350 4.989 4.640 -0.001 0.000 0.216 405 D C 0.394 176.700 176.300 0.010 0.000 1.110 405 D CA 0.251 54.306 54.000 0.091 0.000 0.841 405 D CB 1.326 42.191 40.800 0.108 0.000 1.040 405 D HN 0.205 nan 8.370 nan 0.000 0.505 406 A N 0.233 123.032 122.820 -0.035 0.000 2.602 406 A HA 0.770 5.090 4.320 -0.001 0.000 0.290 406 A C -1.543 175.806 177.584 -0.391 0.000 1.114 406 A CA -0.412 51.463 52.037 -0.270 0.000 0.683 406 A CB 1.537 20.264 19.000 -0.455 0.000 1.281 406 A HN 0.014 nan 8.150 nan 0.000 0.416 407 A N -0.118 122.374 122.820 -0.547 0.000 2.356 407 A HA 0.914 5.234 4.320 -0.001 0.000 0.323 407 A C -1.386 175.796 177.584 -0.669 0.000 1.119 407 A CA -0.391 51.401 52.037 -0.408 0.000 0.790 407 A CB 0.642 19.531 19.000 -0.185 0.000 1.273 407 A HN 0.975 nan 8.150 nan 0.000 0.452 408 F N 0.599 120.537 119.950 -0.020 0.000 2.561 408 F HA 0.422 4.949 4.527 -0.000 0.000 0.313 408 F C 0.297 176.084 175.800 -0.021 0.000 1.126 408 F CA -0.488 57.500 58.000 -0.020 0.000 0.918 408 F CB 2.440 41.425 39.000 -0.024 0.000 1.199 408 F HN 0.441 nan 8.300 nan 0.000 0.444 409 K N 2.466 122.954 120.400 0.147 0.000 2.258 409 K HA 0.612 4.932 4.320 -0.001 0.000 0.284 409 K C -1.005 175.645 176.600 0.082 0.000 1.051 409 K CA -0.484 55.852 56.287 0.082 0.000 0.923 409 K CB 1.649 34.176 32.500 0.045 0.000 1.046 409 K HN 0.359 nan 8.250 nan 0.000 0.474 410 V N 4.108 124.054 119.914 0.054 0.000 2.495 410 V HA 0.248 4.368 4.120 -0.001 0.000 0.298 410 V C -0.210 175.898 176.094 0.025 0.000 1.031 410 V CA -0.930 61.392 62.300 0.037 0.000 0.871 410 V CB 1.780 33.615 31.823 0.020 0.000 0.988 410 V HN 0.673 nan 8.190 nan 0.000 0.432 411 K N 2.539 122.954 120.400 0.024 0.000 2.098 411 K HA 0.692 5.012 4.320 -0.001 0.000 0.261 411 K C 0.221 176.828 176.600 0.012 0.000 0.987 411 K CA -0.389 55.909 56.287 0.018 0.000 0.916 411 K CB 1.429 33.941 32.500 0.020 0.000 1.039 411 K HN 0.837 nan 8.250 nan 0.000 0.455 412 A N 1.023 123.847 122.820 0.007 0.000 2.567 412 A HA 0.307 4.627 4.320 -0.001 0.000 0.240 412 A C 1.171 178.757 177.584 0.004 0.000 1.053 412 A CA 1.157 53.196 52.037 0.004 0.000 0.755 412 A CB -0.810 18.191 19.000 0.002 0.000 0.978 412 A HN 0.950 nan 8.150 nan 0.000 0.507 413 G N 1.549 110.351 108.800 0.002 0.000 2.213 413 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.226 413 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.226 413 G C 0.059 174.961 174.900 0.004 0.000 0.992 413 G CA 0.252 45.353 45.100 0.001 0.000 0.632 413 G HN 0.857 nan 8.290 nan 0.000 0.511 414 E N 0.294 120.500 120.200 0.010 0.000 2.360 414 E HA 0.422 4.772 4.350 -0.001 0.000 0.269 414 E C 0.280 176.894 176.600 0.023 0.000 1.022 414 E CA -0.338 56.073 56.400 0.018 0.000 0.887 414 E CB 0.801 30.517 29.700 0.027 0.000 0.990 414 E HN 0.246 nan 8.360 nan 0.000 0.426 415 M N 4.242 123.865 119.600 0.038 0.000 2.120 415 M HA 0.194 4.674 4.480 -0.001 0.000 0.354 415 M C -1.395 174.953 176.300 0.081 0.000 1.287 415 M CA 0.100 55.446 55.300 0.076 0.000 1.103 415 M CB 0.103 32.768 32.600 0.108 0.000 1.623 415 M HN 0.372 nan 8.290 nan 0.000 0.471 416 L N 5.688 126.942 121.223 0.051 0.000 2.343 416 L HA 0.515 4.854 4.340 -0.001 0.000 0.275 416 L C -1.120 175.731 176.870 -0.031 0.000 1.056 416 L CA -0.858 53.968 54.840 -0.022 0.000 0.804 416 L CB 1.173 43.168 42.059 -0.107 0.000 1.203 416 L HN 0.689 nan 8.230 nan 0.000 0.440 417 Y N 1.013 121.138 120.300 -0.291 0.000 2.470 417 Y HA 0.703 5.252 4.550 -0.001 0.000 0.341 417 Y C -0.439 175.177 175.900 -0.473 0.000 1.021 417 Y CA -0.792 57.006 58.100 -0.504 0.000 1.025 417 Y CB 2.222 40.391 38.460 -0.485 0.000 1.266 417 Y HN 0.500 nan 8.280 nan 0.000 0.448 418 G N 3.754 111.670 108.800 -1.474 0.000 2.566 418 G HA2 0.368 4.327 3.960 -0.001 0.000 0.311 418 G HA3 0.368 4.327 3.960 -0.001 0.000 0.311 418 G C -2.556 171.732 174.900 -1.021 0.000 1.322 418 G CA -0.719 43.725 45.100 -1.093 0.000 0.969 418 G HN 0.624 nan 8.290 nan 0.000 0.490 419 Y N 2.063 121.914 120.300 -0.749 0.000 2.518 419 Y HA 0.240 4.790 4.550 -0.001 0.000 0.344 419 Y C 1.636 177.483 175.900 -0.088 0.000 0.982 419 Y CA -0.501 57.362 58.100 -0.396 0.000 1.234 419 Y CB 1.327 39.445 38.460 -0.570 0.000 1.114 419 Y HN 0.705 nan 8.280 nan 0.000 0.515 420 Q N 5.448 125.073 119.800 -0.291 0.000 2.112 420 Q HA -0.147 4.193 4.340 -0.001 0.000 0.206 420 Q C -0.889 174.838 176.000 -0.456 0.000 0.987 420 Q CA 1.891 57.447 55.803 -0.413 0.000 0.858 420 Q CB -0.497 28.099 28.738 -0.237 0.000 0.905 420 Q HN 0.552 nan 8.270 nan 0.000 0.420 421 P HA -0.158 nan 4.420 nan 0.000 0.219 421 P C 0.760 177.958 177.300 -0.170 0.000 1.146 421 P CA 1.141 64.029 63.100 -0.353 0.000 0.808 421 P CB -0.037 31.416 31.700 -0.411 0.000 0.779 422 L N -1.838 119.327 121.223 -0.096 0.000 2.313 422 L HA -0.001 4.338 4.340 -0.001 0.000 0.214 422 L C 2.316 179.191 176.870 0.009 0.000 1.119 422 L CA 0.913 55.784 54.840 0.051 0.000 0.809 422 L CB -0.748 41.418 42.059 0.178 0.000 0.933 422 L HN -0.039 nan 8.230 nan 0.000 0.449 423 A N -0.055 122.695 122.820 -0.116 0.000 1.935 423 A HA -0.123 4.197 4.320 -0.001 0.000 0.214 423 A C 2.350 179.924 177.584 -0.017 0.000 1.178 423 A CA 1.695 53.650 52.037 -0.136 0.000 0.640 423 A CB -0.580 18.105 19.000 -0.526 0.000 0.825 423 A HN 0.435 nan 8.150 nan 0.000 0.447 424 T N -3.506 111.022 114.554 -0.044 0.000 3.057 424 T HA 0.133 4.482 4.350 -0.001 0.000 0.254 424 T C 1.314 176.070 174.700 0.094 0.000 1.094 424 T CA 0.358 62.519 62.100 0.102 0.000 1.088 424 T CB -0.121 68.756 68.868 0.014 0.000 0.934 424 T HN 0.386 nan 8.240 nan 0.000 0.497 425 R N 1.452 121.986 120.500 0.058 0.000 2.609 425 R HA 0.224 4.564 4.340 -0.001 0.000 0.326 425 R C -0.403 175.989 176.300 0.154 0.000 1.090 425 R CA -0.359 55.785 56.100 0.073 0.000 1.072 425 R CB 0.113 30.406 30.300 -0.011 0.000 1.330 425 R HN 0.298 nan 8.270 nan 0.000 0.572 426 D N 2.424 122.954 120.400 0.218 0.000 2.382 426 D HA 0.010 4.649 4.640 -0.001 0.000 0.259 426 D C -1.313 175.071 176.300 0.140 0.000 1.224 426 D CA -1.989 52.110 54.000 0.164 0.000 0.894 426 D CB 1.374 42.274 40.800 0.166 0.000 1.127 426 D HN 0.048 nan 8.370 nan 0.000 0.487 427 P HA -0.054 nan 4.420 nan 0.000 0.233 427 P C 0.603 177.872 177.300 -0.051 0.000 1.167 427 P CA 0.605 63.730 63.100 0.040 0.000 0.770 427 P CB 0.356 32.074 31.700 0.030 0.000 0.837 428 K N -0.787 119.523 120.400 -0.151 0.000 2.426 428 K HA 0.173 4.493 4.320 -0.001 0.000 0.193 428 K C 1.740 178.188 176.600 -0.253 0.000 1.028 428 K CA 0.434 56.538 56.287 -0.305 0.000 1.047 428 K CB 0.058 32.092 32.500 -0.776 0.000 0.821 428 K HN 0.221 nan 8.250 nan 0.000 0.513 429 I N -1.005 119.430 120.570 -0.225 0.000 3.565 429 I HA 0.072 4.241 4.170 -0.001 0.000 0.287 429 I C -0.144 175.651 176.117 -0.536 0.000 1.193 429 I CA 0.056 61.080 61.300 -0.460 0.000 1.402 429 I CB 0.555 38.143 38.000 -0.688 0.000 1.284 429 I HN -0.125 nan 8.210 nan 0.000 0.454 430 F N 1.510 121.412 119.950 -0.081 0.000 2.444 430 F HA 0.309 4.835 4.527 -0.001 0.000 0.342 430 F C 0.171 175.941 175.800 -0.050 0.000 1.121 430 F CA -1.132 56.833 58.000 -0.058 0.000 0.997 430 F CB 0.743 39.727 39.000 -0.025 0.000 1.130 430 F HN -0.154 nan 8.300 nan 0.000 0.454 431 D N 2.173 122.644 120.400 0.117 0.000 2.423 431 D HA 0.153 4.793 4.640 -0.001 0.000 0.238 431 D C 0.245 176.589 176.300 0.073 0.000 1.142 431 D CA 0.309 54.345 54.000 0.061 0.000 0.884 431 D CB 0.527 41.339 40.800 0.020 0.000 1.199 431 D HN 0.600 nan 8.370 nan 0.000 0.438 432 R N 1.585 122.115 120.500 0.050 0.000 3.322 432 R HA -0.231 4.109 4.340 -0.001 0.000 0.253 432 R C 0.899 177.243 176.300 0.073 0.000 0.987 432 R CA 0.423 56.551 56.100 0.045 0.000 0.666 432 R CB -1.933 28.375 30.300 0.012 0.000 1.072 432 R HN 0.436 nan 8.270 nan 0.000 0.447 433 A N 0.181 123.064 122.820 0.106 0.000 2.015 433 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 433 A C 1.399 179.073 177.584 0.151 0.000 1.163 433 A CA 1.395 53.509 52.037 0.129 0.000 0.646 433 A CB 0.077 19.178 19.000 0.170 0.000 0.806 433 A HN 0.351 nan 8.150 nan 0.000 0.448 434 D N 0.167 120.668 120.400 0.169 0.000 2.342 434 D HA 0.121 4.760 4.640 -0.001 0.000 0.221 434 D C -0.103 176.433 176.300 0.393 0.000 1.101 434 D CA 0.194 54.350 54.000 0.260 0.000 0.837 434 D CB 0.222 41.121 40.800 0.165 0.000 0.938 434 D HN 0.592 nan 8.370 nan 0.000 0.508 435 E N 0.078 120.430 120.200 0.253 0.000 2.191 435 E HA 0.234 4.584 4.350 -0.001 0.000 0.274 435 E C -0.748 175.822 176.600 -0.049 0.000 0.948 435 E CA -0.872 55.596 56.400 0.114 0.000 0.802 435 E CB 1.935 31.656 29.700 0.034 0.000 1.137 435 E HN -0.078 nan 8.360 nan 0.000 0.397 436 F N 3.193 122.841 119.950 -0.504 0.000 2.438 436 F HA 0.203 4.730 4.527 -0.000 0.000 0.360 436 F C -0.756 174.876 175.800 -0.279 0.000 1.118 436 F CA -0.390 57.237 58.000 -0.622 0.000 1.164 436 F CB 0.466 38.957 39.000 -0.849 0.000 1.131 436 F HN 0.082 nan 8.300 nan 0.000 0.527 437 V N 9.936 129.496 119.914 -0.590 0.000 2.305 437 V HA 0.196 4.316 4.120 -0.001 0.000 0.275 437 V C -1.730 174.074 176.094 -0.482 0.000 1.020 437 V CA -1.320 60.749 62.300 -0.384 0.000 0.811 437 V CB 1.192 32.863 31.823 -0.253 0.000 1.031 437 V HN 0.628 nan 8.190 nan 0.000 0.439 438 P HA -0.190 nan 4.420 nan 0.000 0.216 438 P C 1.262 178.461 177.300 -0.168 0.000 1.150 438 P CA 1.127 64.048 63.100 -0.298 0.000 0.843 438 P CB 0.285 31.931 31.700 -0.090 0.000 0.787 439 E N -0.357 119.758 120.200 -0.141 0.000 2.437 439 E HA -0.056 4.294 4.350 -0.001 0.000 0.189 439 E C 1.742 178.277 176.600 -0.108 0.000 1.054 439 E CA 0.005 56.355 56.400 -0.083 0.000 0.874 439 E CB -0.572 29.088 29.700 -0.068 0.000 1.011 439 E HN 0.195 nan 8.360 nan 0.000 0.474 440 R N 0.266 120.637 120.500 -0.214 0.000 2.103 440 R HA -0.115 4.224 4.340 -0.001 0.000 0.242 440 R C 0.652 176.682 176.300 -0.449 0.000 1.142 440 R CA 1.619 57.474 56.100 -0.409 0.000 0.960 440 R CB -0.141 29.743 30.300 -0.693 0.000 0.858 440 R HN 0.144 nan 8.270 nan 0.000 0.439 441 F N -0.120 119.853 119.950 0.038 0.000 2.641 441 F HA 0.221 4.747 4.527 -0.001 0.000 0.302 441 F C 0.065 175.909 175.800 0.074 0.000 1.098 441 F CA -0.464 57.582 58.000 0.077 0.000 1.318 441 F CB 0.629 39.707 39.000 0.130 0.000 1.035 441 F HN -0.259 nan 8.300 nan 0.000 0.551 442 V N 0.918 120.919 119.914 0.145 0.000 2.637 442 V HA 0.570 4.690 4.120 -0.001 0.000 0.296 442 V C 0.804 176.943 176.094 0.075 0.000 1.046 442 V CA 0.083 62.444 62.300 0.100 0.000 1.066 442 V CB 0.281 32.131 31.823 0.045 0.000 0.968 442 V HN 0.571 nan 8.190 nan 0.000 0.483 443 G N 4.313 113.157 108.800 0.074 0.000 2.757 443 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.638 443 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.638 443 G C 0.477 175.414 174.900 0.062 0.000 1.344 443 G CA 0.210 45.342 45.100 0.053 0.000 0.855 443 G HN 0.977 nan 8.290 nan 0.000 0.537 444 E N -0.667 119.560 120.200 0.045 0.000 2.106 444 E HA -0.105 4.245 4.350 -0.001 0.000 0.192 444 E C 1.761 178.390 176.600 0.047 0.000 0.984 444 E CA 1.639 58.066 56.400 0.044 0.000 0.806 444 E CB -0.092 29.626 29.700 0.030 0.000 0.750 444 E HN 0.446 nan 8.360 nan 0.000 0.458 445 E N 1.082 121.306 120.200 0.039 0.000 2.028 445 E HA -0.094 4.256 4.350 -0.001 0.000 0.191 445 E C 2.318 178.951 176.600 0.056 0.000 0.988 445 E CA 1.318 57.739 56.400 0.036 0.000 0.799 445 E CB -0.783 28.928 29.700 0.018 0.000 0.755 445 E HN 0.477 nan 8.360 nan 0.000 0.447 446 G N 1.260 110.097 108.800 0.060 0.000 2.440 446 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.218 446 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.218 446 G C 1.466 176.505 174.900 0.232 0.000 1.154 446 G CA 0.774 45.928 45.100 0.090 0.000 0.767 446 G HN 0.287 nan 8.290 nan 0.000 0.552 447 E N -0.153 120.156 120.200 0.182 0.000 2.204 447 E HA -0.096 4.254 4.350 -0.001 0.000 0.195 447 E C 2.338 179.005 176.600 0.112 0.000 0.990 447 E CA 0.826 57.319 56.400 0.155 0.000 0.821 447 E CB 0.017 29.776 29.700 0.098 0.000 0.750 447 E HN 0.271 nan 8.360 nan 0.000 0.477 448 K N 0.955 121.416 120.400 0.103 0.000 2.211 448 K HA -0.074 4.245 4.320 -0.001 0.000 0.203 448 K C 1.603 178.264 176.600 0.101 0.000 1.050 448 K CA 0.760 57.089 56.287 0.070 0.000 0.945 448 K CB -0.059 32.474 32.500 0.055 0.000 0.732 448 K HN 0.092 nan 8.250 nan 0.000 0.451 449 L N 0.436 121.790 121.223 0.217 0.000 2.551 449 L HA -0.023 4.317 4.340 -0.001 0.000 0.228 449 L C 1.676 178.793 176.870 0.412 0.000 1.153 449 L CA 0.223 55.280 54.840 0.361 0.000 0.851 449 L CB -0.267 42.053 42.059 0.435 0.000 0.959 449 L HN 0.143 nan 8.230 nan 0.000 0.451 450 L N 0.245 121.575 121.223 0.179 0.000 2.265 450 L HA -0.188 4.151 4.340 -0.001 0.000 0.215 450 L C 2.769 179.577 176.870 -0.104 0.000 1.117 450 L CA 1.028 55.798 54.840 -0.116 0.000 0.782 450 L CB -0.505 41.344 42.059 -0.350 0.000 0.914 450 L HN 0.431 nan 8.230 nan 0.000 0.441 451 R N -0.857 119.556 120.500 -0.145 0.000 2.293 451 R HA -0.150 4.190 4.340 -0.001 0.000 0.219 451 R C 1.198 177.338 176.300 -0.267 0.000 1.091 451 R CA 1.205 57.154 56.100 -0.251 0.000 1.004 451 R CB -0.485 29.609 30.300 -0.344 0.000 0.865 451 R HN 0.475 nan 8.270 nan 0.000 0.469 452 H N 0.115 119.258 119.070 0.121 0.000 2.586 452 H HA 0.246 4.801 4.556 -0.001 0.000 0.273 452 H C -0.181 175.318 175.328 0.283 0.000 0.997 452 H CA -0.182 55.976 56.048 0.185 0.000 1.177 452 H CB 0.753 30.568 29.762 0.089 0.000 1.471 452 H HN -0.052 nan 8.280 nan 0.000 0.538 453 V N 2.813 122.882 119.914 0.258 0.000 2.385 453 V HA 0.080 4.200 4.120 -0.001 0.000 0.269 453 V C 1.016 177.160 176.094 0.084 0.000 1.043 453 V CA 0.076 62.479 62.300 0.172 0.000 0.906 453 V CB 1.423 33.254 31.823 0.012 0.000 0.995 453 V HN 0.278 nan 8.190 nan 0.000 0.467 454 L N 4.906 126.184 121.223 0.091 0.000 3.069 454 L HA 0.128 4.468 4.340 -0.001 0.000 0.271 454 L C 1.903 178.745 176.870 -0.047 0.000 1.201 454 L CA -0.134 54.707 54.840 0.003 0.000 1.015 454 L CB -0.011 42.090 42.059 0.071 0.000 1.371 454 L HN 0.876 nan 8.230 nan 0.000 0.574 455 W N 0.958 122.279 121.300 0.035 0.000 2.331 455 W HA -0.196 4.464 4.660 -0.001 0.000 0.291 455 W C 1.519 178.086 176.519 0.079 0.000 1.214 455 W CA 1.313 58.695 57.345 0.061 0.000 1.228 455 W CB -1.050 28.456 29.460 0.076 0.000 1.135 455 W HN 0.366 nan 8.180 nan 0.000 0.537 456 S N 0.813 115.747 115.700 -1.278 0.000 2.631 456 S HA 0.007 4.476 4.470 -0.001 0.000 0.217 456 S C 0.691 174.974 174.600 -0.528 0.000 0.958 456 S CA 0.473 57.889 58.200 -1.306 0.000 0.920 456 S CB -1.047 61.227 63.200 -1.544 0.000 0.776 456 S HN 0.386 nan 8.310 nan 0.000 0.517 457 N N 0.253 118.774 118.700 -0.298 0.000 2.783 457 N HA -0.087 4.652 4.740 -0.001 0.000 0.247 457 N C -0.108 175.000 175.510 -0.670 0.000 1.089 457 N CA 1.062 54.027 53.050 -0.142 0.000 0.690 457 N CB -1.327 37.177 38.487 0.029 0.000 0.991 457 N HN 0.974 nan 8.380 nan 0.000 0.552 458 G N -1.811 106.349 108.800 -1.066 0.000 2.451 458 G HA2 0.476 4.436 3.960 -0.001 0.000 0.292 458 G HA3 0.476 4.436 3.960 -0.001 0.000 0.292 458 G C -3.319 171.079 174.900 -0.836 0.000 1.427 458 G CA -0.734 43.445 45.100 -1.535 0.000 0.792 458 G HN 0.060 nan 8.290 nan 0.000 0.498 459 P HA 0.209 nan 4.420 nan 0.000 0.269 459 P C 0.385 177.553 177.300 -0.221 0.000 1.209 459 P CA -0.046 62.921 63.100 -0.222 0.000 0.776 459 P CB 1.205 32.833 31.700 -0.120 0.000 0.876 460 E N 1.520 121.621 120.200 -0.165 0.000 2.338 460 E HA -0.138 4.212 4.350 -0.001 0.000 0.197 460 E C 1.178 177.717 176.600 -0.102 0.000 1.007 460 E CA 1.619 57.943 56.400 -0.127 0.000 0.849 460 E CB -0.785 28.837 29.700 -0.130 0.000 0.774 460 E HN 0.486 nan 8.360 nan 0.000 0.506 461 T N -2.571 111.914 114.554 -0.114 0.000 3.113 461 T HA 0.102 4.451 4.350 -0.001 0.000 0.256 461 T C 0.630 175.290 174.700 -0.066 0.000 1.131 461 T CA 0.045 62.096 62.100 -0.082 0.000 1.074 461 T CB 0.037 68.854 68.868 -0.085 0.000 0.944 461 T HN 0.021 nan 8.240 nan 0.000 0.516 462 E N 0.962 121.108 120.200 -0.090 0.000 2.232 462 E HA 0.499 4.849 4.350 -0.001 0.000 0.264 462 E C -0.736 175.820 176.600 -0.073 0.000 0.973 462 E CA -0.674 55.678 56.400 -0.080 0.000 0.849 462 E CB 1.773 31.411 29.700 -0.104 0.000 1.198 462 E HN 0.147 nan 8.360 nan 0.000 0.407 463 T N 1.236 115.759 114.554 -0.051 0.000 2.856 463 T HA 0.399 4.749 4.350 -0.001 0.000 0.283 463 T C -2.634 172.058 174.700 -0.015 0.000 1.008 463 T CA -2.433 59.646 62.100 -0.035 0.000 0.997 463 T CB 1.303 70.149 68.868 -0.037 0.000 0.992 463 T HN 0.132 nan 8.240 nan 0.000 0.454 464 P HA 0.283 nan 4.420 nan 0.000 0.269 464 P C -0.429 176.987 177.300 0.194 0.000 1.209 464 P CA 0.010 63.185 63.100 0.126 0.000 0.776 464 P CB 0.622 32.465 31.700 0.238 0.000 0.876 465 T N -2.730 111.979 114.554 0.258 0.000 2.838 465 T HA 0.297 4.646 4.350 -0.001 0.000 0.292 465 T C 1.087 175.992 174.700 0.343 0.000 1.113 465 T CA -0.409 61.866 62.100 0.292 0.000 1.008 465 T CB 0.855 69.809 68.868 0.144 0.000 1.259 465 T HN 0.145 nan 8.240 nan 0.000 0.520 466 V N -1.150 118.957 119.914 0.322 0.000 2.913 466 V HA 0.247 4.366 4.120 -0.001 0.000 0.260 466 V C 1.965 178.231 176.094 0.286 0.000 1.098 466 V CA 1.803 64.227 62.300 0.207 0.000 1.121 466 V CB -1.401 30.514 31.823 0.152 0.000 0.714 466 V HN 1.069 nan 8.190 nan 0.000 0.487 467 G N 1.245 110.170 108.800 0.208 0.000 2.838 467 G HA2 0.132 4.092 3.960 -0.001 0.000 0.210 467 G HA3 0.132 4.092 3.960 -0.001 0.000 0.210 467 G C 0.469 175.430 174.900 0.101 0.000 1.153 467 G CA 0.401 45.584 45.100 0.137 0.000 0.778 467 G HN 0.774 nan 8.290 nan 0.000 0.539 468 N N -1.363 117.423 118.700 0.143 0.000 2.890 468 N HA 0.401 5.141 4.740 -0.001 0.000 0.317 468 N C 0.086 175.669 175.510 0.121 0.000 1.355 468 N CA -0.950 52.153 53.050 0.089 0.000 0.803 468 N CB 0.956 39.482 38.487 0.065 0.000 1.465 468 N HN -0.316 nan 8.380 nan 0.000 0.591 469 K N -0.648 119.795 120.400 0.072 0.000 2.514 469 K HA 0.149 4.469 4.320 -0.001 0.000 0.207 469 K C -0.308 176.325 176.600 0.056 0.000 1.035 469 K CA -0.157 56.181 56.287 0.085 0.000 1.113 469 K CB -0.026 32.503 32.500 0.049 0.000 0.846 469 K HN 0.670 nan 8.250 nan 0.000 0.491 470 Q N 0.625 120.438 119.800 0.021 0.000 2.373 470 Q HA 0.028 4.368 4.340 -0.001 0.000 0.255 470 Q C -0.299 175.696 176.000 -0.008 0.000 0.980 470 Q CA -0.112 55.654 55.803 -0.061 0.000 0.882 470 Q CB 0.962 29.629 28.738 -0.118 0.000 1.249 470 Q HN 0.273 nan 8.270 nan 0.000 0.438 471 C N 3.764 123.025 119.300 -0.064 0.000 2.419 471 C HA 0.052 4.512 4.460 -0.001 0.000 0.398 471 C C 1.650 176.704 174.990 0.105 0.000 1.498 471 C CA 0.415 59.445 59.018 0.020 0.000 1.494 471 C CB -1.207 26.508 27.740 -0.041 0.000 2.485 471 C HN 0.922 nan 8.230 nan 0.000 0.608 472 A N 4.604 127.501 122.820 0.128 0.000 2.019 472 A HA 0.106 4.425 4.320 -0.001 0.000 0.219 472 A C 1.956 179.716 177.584 0.293 0.000 1.164 472 A CA 1.708 53.856 52.037 0.184 0.000 0.644 472 A CB -0.569 18.395 19.000 -0.062 0.000 0.805 472 A HN 1.446 nan 8.150 nan 0.000 0.449 473 G N -0.945 108.017 108.800 0.270 0.000 3.609 473 G HA2 0.187 4.147 3.960 -0.001 0.000 0.280 473 G HA3 0.187 4.147 3.960 -0.001 0.000 0.280 473 G C 1.010 176.195 174.900 0.475 0.000 1.155 473 G CA 0.460 45.772 45.100 0.353 0.000 0.876 473 G HN 0.536 nan 8.290 nan 0.000 0.535 474 K N 0.609 121.234 120.400 0.374 0.000 2.020 474 K HA -0.157 4.163 4.320 -0.001 0.000 0.212 474 K C 1.619 178.511 176.600 0.488 0.000 1.050 474 K CA 1.806 58.343 56.287 0.417 0.000 0.929 474 K CB 0.021 32.600 32.500 0.131 0.000 0.714 474 K HN 0.111 nan 8.250 nan 0.000 0.443 475 D N -0.189 120.417 120.400 0.342 0.000 2.178 475 D HA -0.149 4.491 4.640 -0.001 0.000 0.202 475 D C 1.650 178.134 176.300 0.307 0.000 0.974 475 D CA 0.798 54.968 54.000 0.284 0.000 0.841 475 D CB -0.227 40.695 40.800 0.203 0.000 0.953 475 D HN 0.234 nan 8.370 nan 0.000 0.478 476 F N 1.312 121.403 119.950 0.235 0.000 2.134 476 F HA -0.200 4.327 4.527 -0.001 0.000 0.299 476 F C 2.160 178.088 175.800 0.212 0.000 1.097 476 F CA 1.001 59.143 58.000 0.238 0.000 1.264 476 F CB -0.139 39.035 39.000 0.291 0.000 1.001 476 F HN -0.229 nan 8.300 nan 0.000 0.479 477 V N -0.366 119.780 119.914 0.386 0.000 2.295 477 V HA -0.285 3.834 4.120 -0.001 0.000 0.246 477 V C 2.372 178.430 176.094 -0.060 0.000 1.049 477 V CA 1.690 64.074 62.300 0.139 0.000 1.024 477 V CB -0.712 31.178 31.823 0.112 0.000 0.648 477 V HN 0.269 nan 8.190 nan 0.000 0.447 478 V N -0.212 119.717 119.914 0.026 0.000 2.343 478 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 478 V C 2.375 178.387 176.094 -0.136 0.000 1.051 478 V CA 2.058 64.321 62.300 -0.061 0.000 1.036 478 V CB -0.607 31.262 31.823 0.078 0.000 0.654 478 V HN 0.517 nan 8.190 nan 0.000 0.451 479 L N 1.152 122.306 121.223 -0.115 0.000 1.994 479 L HA -0.130 4.209 4.340 -0.001 0.000 0.208 479 L C 2.546 179.192 176.870 -0.374 0.000 1.071 479 L CA 2.688 57.408 54.840 -0.200 0.000 0.745 479 L CB -0.709 41.273 42.059 -0.128 0.000 0.892 479 L HN 0.322 nan 8.230 nan 0.000 0.431 480 V N -2.372 117.278 119.914 -0.440 0.000 2.548 480 V HA -0.047 4.072 4.120 -0.001 0.000 0.249 480 V C 2.508 178.415 176.094 -0.312 0.000 1.055 480 V CA 1.312 63.292 62.300 -0.535 0.000 1.065 480 V CB -1.828 29.755 31.823 -0.400 0.000 0.681 480 V HN 0.452 nan 8.190 nan 0.000 0.462 481 A N 0.938 123.686 122.820 -0.119 0.000 1.902 481 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 481 A C 2.422 179.890 177.584 -0.194 0.000 1.181 481 A CA 2.027 54.023 52.037 -0.069 0.000 0.623 481 A CB -0.576 18.393 19.000 -0.050 0.000 0.818 481 A HN 0.579 nan 8.150 nan 0.000 0.443 482 R N -0.539 119.806 120.500 -0.258 0.000 2.081 482 R HA -0.010 4.330 4.340 -0.001 0.000 0.235 482 R C 2.056 178.144 176.300 -0.353 0.000 1.131 482 R CA 1.403 57.343 56.100 -0.267 0.000 0.960 482 R CB -0.521 29.627 30.300 -0.254 0.000 0.856 482 R HN 0.502 nan 8.270 nan 0.000 0.436 483 L N -0.286 120.594 121.223 -0.571 0.000 2.079 483 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 483 L C 2.309 178.835 176.870 -0.573 0.000 1.081 483 L CA 1.048 55.397 54.840 -0.819 0.000 0.752 483 L CB -0.438 40.690 42.059 -1.551 0.000 0.896 483 L HN 0.156 nan 8.230 nan 0.000 0.433 484 F N 0.450 120.006 119.950 -0.655 0.000 2.102 484 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 484 F C 2.291 177.928 175.800 -0.270 0.000 1.105 484 F CA 1.515 59.296 58.000 -0.365 0.000 1.239 484 F CB -0.481 38.013 39.000 -0.843 0.000 0.991 484 F HN -0.257 nan 8.300 nan 0.000 0.474 485 V N 0.795 120.511 119.914 -0.330 0.000 2.343 485 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 485 V C 2.514 178.520 176.094 -0.146 0.000 1.051 485 V CA 2.099 64.251 62.300 -0.247 0.000 1.036 485 V CB -0.688 31.107 31.823 -0.048 0.000 0.654 485 V HN 0.356 nan 8.190 nan 0.000 0.451 486 I N -0.014 120.458 120.570 -0.163 0.000 2.179 486 I HA -0.244 3.926 4.170 -0.001 0.000 0.242 486 I C 2.635 178.652 176.117 -0.167 0.000 1.088 486 I CA 1.765 62.988 61.300 -0.129 0.000 1.357 486 I CB -0.335 37.562 38.000 -0.171 0.000 1.051 486 I HN 0.322 nan 8.210 nan 0.000 0.409 487 E N 1.435 121.525 120.200 -0.184 0.000 2.110 487 E HA -0.198 4.152 4.350 -0.001 0.000 0.193 487 E C 2.030 178.345 176.600 -0.474 0.000 0.988 487 E CA 1.467 57.763 56.400 -0.174 0.000 0.804 487 E CB -0.244 29.525 29.700 0.116 0.000 0.745 487 E HN 0.442 nan 8.360 nan 0.000 0.458 488 I N -0.624 119.540 120.570 -0.677 0.000 2.127 488 I HA -0.253 3.916 4.170 -0.001 0.000 0.241 488 I C 1.510 177.152 176.117 -0.792 0.000 1.075 488 I CA 1.166 61.862 61.300 -1.007 0.000 1.334 488 I CB -0.209 37.033 38.000 -1.264 0.000 1.040 488 I HN 0.102 nan 8.210 nan 0.000 0.405 489 F N 0.673 120.447 119.950 -0.293 0.000 2.754 489 F HA 0.059 4.586 4.527 -0.000 0.000 0.297 489 F C 2.377 178.058 175.800 -0.198 0.000 1.122 489 F CA 0.227 58.114 58.000 -0.188 0.000 1.400 489 F CB -0.360 38.563 39.000 -0.128 0.000 1.117 489 F HN 0.031 nan 8.300 nan 0.000 0.587 490 R N 0.272 120.707 120.500 -0.108 0.000 2.235 490 R HA 0.023 4.362 4.340 -0.001 0.000 0.213 490 R C 1.631 177.782 176.300 -0.248 0.000 1.059 490 R CA 0.953 56.971 56.100 -0.137 0.000 0.997 490 R CB -0.325 29.907 30.300 -0.113 0.000 0.884 490 R HN 0.224 nan 8.270 nan 0.000 0.462 491 R N -0.549 119.675 120.500 -0.461 0.000 2.142 491 R HA 0.164 4.503 4.340 -0.001 0.000 0.204 491 R C -0.192 175.635 176.300 -0.788 0.000 1.059 491 R CA 0.511 56.164 56.100 -0.744 0.000 1.055 491 R CB 0.288 29.840 30.300 -1.248 0.000 0.976 491 R HN 0.113 nan 8.270 nan 0.000 0.483 492 Y N 0.240 120.389 120.300 -0.253 0.000 2.429 492 Y HA 0.215 4.764 4.550 -0.001 0.000 0.342 492 Y C 0.499 176.407 175.900 0.014 0.000 1.004 492 Y CA -1.375 56.625 58.100 -0.167 0.000 1.075 492 Y CB 1.268 39.564 38.460 -0.273 0.000 1.214 492 Y HN -0.169 nan 8.280 nan 0.000 0.455 493 D N 0.532 121.050 120.400 0.198 0.000 2.183 493 D HA -0.005 4.635 4.640 -0.001 0.000 0.203 493 D C 0.257 176.726 176.300 0.283 0.000 0.969 493 D CA 1.303 55.417 54.000 0.190 0.000 0.842 493 D CB 0.254 41.105 40.800 0.085 0.000 0.957 493 D HN 0.483 nan 8.370 nan 0.000 0.484 494 S N -1.218 114.642 115.700 0.268 0.000 2.643 494 S HA 0.598 5.068 4.470 -0.001 0.000 0.266 494 S C -1.285 173.469 174.600 0.256 0.000 1.130 494 S CA -1.173 57.224 58.200 0.329 0.000 0.817 494 S CB 1.149 64.419 63.200 0.118 0.000 1.107 494 S HN 0.125 nan 8.310 nan 0.000 0.471 495 F N -1.011 119.078 119.950 0.231 0.000 2.713 495 F HA 0.880 5.406 4.527 -0.001 0.000 0.311 495 F C -1.857 174.138 175.800 0.325 0.000 1.141 495 F CA -0.823 57.235 58.000 0.097 0.000 0.939 495 F CB 0.926 39.858 39.000 -0.113 0.000 1.325 495 F HN 0.511 nan 8.300 nan 0.000 0.453 496 D N 1.775 122.430 120.400 0.426 0.000 2.575 496 D HA 0.616 5.256 4.640 -0.001 0.000 0.236 496 D C -0.897 175.606 176.300 0.339 0.000 1.075 496 D CA -0.067 54.114 54.000 0.301 0.000 0.860 496 D CB 2.805 43.735 40.800 0.217 0.000 1.475 496 D HN 0.760 nan 8.370 nan 0.000 0.474 497 I N -1.987 118.701 120.570 0.198 0.000 2.846 497 I HA 0.711 4.881 4.170 -0.001 0.000 0.307 497 I C -0.672 175.471 176.117 0.043 0.000 1.053 497 I CA -0.600 60.759 61.300 0.099 0.000 1.050 497 I CB 2.530 40.556 38.000 0.043 0.000 1.239 497 I HN 0.197 nan 8.210 nan 0.000 0.439 498 E N 3.034 123.240 120.200 0.010 0.000 2.321 498 E HA 0.490 4.839 4.350 -0.001 0.000 0.281 498 E C -1.777 174.823 176.600 -0.000 0.000 0.910 498 E CA -0.824 55.584 56.400 0.012 0.000 0.770 498 E CB 2.387 32.105 29.700 0.030 0.000 1.225 498 E HN 0.638 nan 8.360 nan 0.000 0.417 499 V N 2.558 122.475 119.914 0.005 0.000 2.715 499 V HA 0.459 4.579 4.120 -0.001 0.000 0.299 499 V C 0.847 176.952 176.094 0.018 0.000 1.054 499 V CA 0.429 62.736 62.300 0.011 0.000 1.077 499 V CB 1.178 33.011 31.823 0.017 0.000 0.972 499 V HN 0.698 nan 8.190 nan 0.000 0.484 500 G N 2.411 111.224 108.800 0.022 0.000 2.432 500 G HA2 0.704 4.663 3.960 -0.001 0.000 0.331 500 G HA3 0.704 4.663 3.960 -0.001 0.000 0.331 500 G C -0.378 174.537 174.900 0.027 0.000 1.170 500 G CA -0.328 44.787 45.100 0.026 0.000 0.943 500 G HN 0.838 nan 8.290 nan 0.000 0.483 501 T N -1.734 112.835 114.554 0.026 0.000 2.863 501 T HA 0.796 5.146 4.350 -0.001 0.000 0.285 501 T C -0.087 174.628 174.700 0.024 0.000 1.009 501 T CA -0.472 61.644 62.100 0.026 0.000 0.989 501 T CB 1.739 70.621 68.868 0.024 0.000 1.004 501 T HN 1.343 nan 8.240 nan 0.000 0.455 502 S N 1.158 116.873 115.700 0.025 0.000 2.596 502 S HA 0.621 5.091 4.470 -0.001 0.000 0.270 502 S C -2.414 172.200 174.600 0.023 0.000 1.155 502 S CA -1.274 56.940 58.200 0.023 0.000 0.827 502 S CB 1.073 64.287 63.200 0.023 0.000 1.130 502 S HN 0.421 nan 8.310 nan 0.000 0.467 503 P HA -0.063 nan 4.420 nan 0.000 0.216 503 P C 1.017 178.331 177.300 0.024 0.000 1.157 503 P CA 1.263 64.374 63.100 0.019 0.000 0.880 503 P CB -0.110 31.600 31.700 0.016 0.000 0.791 504 L N -2.147 119.092 121.223 0.026 0.000 2.675 504 L HA 0.215 4.555 4.340 -0.001 0.000 0.239 504 L C 1.200 178.092 176.870 0.036 0.000 1.151 504 L CA 0.156 55.015 54.840 0.031 0.000 0.905 504 L CB -1.132 40.946 42.059 0.032 0.000 1.057 504 L HN 0.153 nan 8.230 nan 0.000 0.435 505 G N -0.453 108.368 108.800 0.035 0.000 2.373 505 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.634 505 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.634 505 G C -0.753 174.169 174.900 0.036 0.000 1.267 505 G CA -0.300 44.823 45.100 0.039 0.000 1.008 505 G HN 0.226 nan 8.290 nan 0.000 0.497 506 S N -1.505 114.217 115.700 0.037 0.000 2.638 506 S HA 0.920 5.390 4.470 -0.001 0.000 0.302 506 S C -0.295 174.326 174.600 0.035 0.000 1.096 506 S CA 0.535 58.756 58.200 0.035 0.000 0.953 506 S CB 2.211 65.433 63.200 0.036 0.000 1.107 506 S HN 2.181 nan 8.310 nan 0.000 0.503 507 S N 0.122 115.843 115.700 0.034 0.000 2.570 507 S HA 0.615 5.084 4.470 -0.001 0.000 0.270 507 S C -1.446 173.175 174.600 0.035 0.000 1.149 507 S CA -0.620 57.603 58.200 0.039 0.000 0.837 507 S CB 1.421 64.642 63.200 0.036 0.000 1.124 507 S HN 0.848 nan 8.310 nan 0.000 0.465 508 V N 4.187 124.128 119.914 0.044 0.000 2.465 508 V HA 0.488 4.608 4.120 -0.001 0.000 0.279 508 V C 0.152 176.226 176.094 -0.033 0.000 1.045 508 V CA -0.578 61.716 62.300 -0.010 0.000 0.938 508 V CB 1.113 32.906 31.823 -0.051 0.000 0.986 508 V HN 0.777 nan 8.190 nan 0.000 0.467 509 N N 2.497 121.151 118.700 -0.077 0.000 2.335 509 N HA 0.546 5.286 4.740 -0.001 0.000 0.304 509 N C -1.247 174.164 175.510 -0.165 0.000 1.135 509 N CA -0.543 52.472 53.050 -0.058 0.000 0.817 509 N CB 2.365 40.872 38.487 0.032 0.000 1.294 509 N HN 0.430 nan 8.380 nan 0.000 0.497 510 F N 0.662 120.656 119.950 0.073 0.000 2.410 510 F HA 0.116 4.643 4.527 -0.001 0.000 0.348 510 F C 1.790 177.621 175.800 0.052 0.000 1.106 510 F CA -0.277 57.754 58.000 0.051 0.000 1.163 510 F CB 1.166 40.158 39.000 -0.013 0.000 1.129 510 F HN 0.515 nan 8.300 nan 0.000 0.516 511 S N -0.015 115.834 115.700 0.248 0.000 2.512 511 S HA 0.203 4.672 4.470 -0.001 0.000 0.216 511 S C 0.319 175.003 174.600 0.141 0.000 1.006 511 S CA -0.081 58.214 58.200 0.158 0.000 0.915 511 S CB 0.343 63.611 63.200 0.113 0.000 0.824 511 S HN 0.458 nan 8.310 nan 0.000 0.497 512 S N 0.179 115.985 115.700 0.176 0.000 2.543 512 S HA 0.668 5.137 4.470 -0.001 0.000 0.271 512 S C -1.837 172.776 174.600 0.021 0.000 1.148 512 S CA -0.768 57.488 58.200 0.094 0.000 0.914 512 S CB 1.180 64.438 63.200 0.096 0.000 1.096 512 S HN 0.379 nan 8.310 nan 0.000 0.471 513 L N 4.807 125.957 121.223 -0.123 0.000 2.442 513 L HA 0.520 4.860 4.340 -0.001 0.000 0.261 513 L C -0.202 176.572 176.870 -0.161 0.000 1.000 513 L CA -0.447 54.163 54.840 -0.384 0.000 0.882 513 L CB 1.498 43.136 42.059 -0.701 0.000 1.207 513 L HN 0.556 nan 8.230 nan 0.000 0.443 514 R N 3.260 123.727 120.500 -0.056 0.000 2.248 514 R HA 0.282 4.622 4.340 -0.001 0.000 0.337 514 R C -0.393 176.002 176.300 0.158 0.000 1.106 514 R CA -0.505 55.620 56.100 0.040 0.000 0.959 514 R CB 0.702 31.000 30.300 -0.003 0.000 1.075 514 R HN 0.394 nan 8.270 nan 0.000 0.480 515 K N 2.263 122.755 120.400 0.153 0.000 2.270 515 K HA 0.341 4.661 4.320 -0.001 0.000 0.276 515 K C 0.505 177.118 176.600 0.022 0.000 1.023 515 K CA 0.065 56.422 56.287 0.116 0.000 0.955 515 K CB 1.040 33.576 32.500 0.060 0.000 0.975 515 K HN 0.702 nan 8.250 nan 0.000 0.471 516 A N 0.000 122.795 122.820 -0.042 0.000 2.254 516 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 516 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 516 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 516 A HN 0.000 nan 8.150 nan 0.000 0.486