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 1ovm_1_D DATA FIRST_RESID 3 DATA SEQUENCE TPYCVADYLL DRLTDCGADH LFGVPGDYNL QFLDHVIDSP DICWVGCANE DATA SEQUENCE LNASYAADGY ARCKGFAALL TTFGVGELSA MNGIAGSYAE HVPVLHIVGA DATA SEQUENCE PGTAAQQRGE LLHHTLGDGE FRHFYHMSEP ITVAQAVLTE QNACYEIDRV DATA SEQUENCE LTTMLRERRP GYLMLPADVA KKAATPPVNA LTHKQAHADS ACLKAFRDAA DATA SEQUENCE ENKLAMSKRT ALLADFLVLR HGLKHALQKW VKEVPMAHAT MLMGKGIFDE DATA SEQUENCE RQAGFYGTYS GSASTGAVKE AIEGADTVLC VGTRFTDTLT AGFTHQLTPA DATA SEQUENCE QTIEVQPHAA RVGDVWFTGI PMNQAIETLV ELCKQHVHAX XXXXXXXXXX DATA SEQUENCE XXXPDGSLTQ ENFWRTLQTF IRPGDIILAD QGTSAFGAID LRLPADVNFI DATA SEQUENCE VQPLWGSIGY TLAAAFGAQT ACPNRRVIVL TGDGAAQLTI QELGSMLRDK DATA SEQUENCE QHPIILVLNN EGYTVERAIH GAEQRYNDIA LWNWTHIPQA LSLDPQSECW DATA SEQUENCE RVSEAEQLAD VLEKVAHHER LSLIEVMLPK ADIPPLLGAL TKALEACNN 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.758 174.700 0.097 0.000 1.109 3 T CA 0.000 62.131 62.100 0.051 0.000 1.349 3 T CB 0.000 68.877 68.868 0.015 0.000 0.612 4 P HA 0.203 nan 4.420 nan 0.000 0.266 4 P C -0.426 176.969 177.300 0.158 0.000 1.193 4 P CA -0.362 62.809 63.100 0.120 0.000 0.770 4 P CB 0.264 32.018 31.700 0.090 0.000 0.836 5 Y N 2.637 122.971 120.300 0.058 0.000 2.632 5 Y HA 0.187 4.737 4.550 0.000 0.000 0.329 5 Y C 0.703 176.627 175.900 0.040 0.000 1.174 5 Y CA 0.061 58.196 58.100 0.058 0.000 1.469 5 Y CB -0.029 38.465 38.460 0.056 0.000 1.242 5 Y HN 0.625 nan 8.280 nan 0.000 0.540 6 C N 2.872 121.990 119.300 -0.302 0.000 3.259 6 C HA 0.528 4.988 4.460 0.000 0.000 0.328 6 C C 1.270 176.100 174.990 -0.266 0.000 1.425 6 C CA -0.630 58.270 59.018 -0.196 0.000 1.465 6 C CB 0.743 28.377 27.740 -0.177 0.000 1.890 6 C HN 0.688 nan 8.230 nan 0.000 0.450 7 V N 1.667 121.501 119.914 -0.133 0.000 2.317 7 V HA -0.251 3.869 4.120 0.000 0.000 0.251 7 V C 2.974 179.036 176.094 -0.052 0.000 1.065 7 V CA 3.180 65.434 62.300 -0.077 0.000 1.049 7 V CB -1.569 30.200 31.823 -0.091 0.000 0.651 7 V HN 1.130 nan 8.190 nan 0.000 0.450 8 A N -0.080 122.664 122.820 -0.128 0.000 1.917 8 A HA -0.290 4.030 4.320 0.000 0.000 0.219 8 A C 2.004 179.541 177.584 -0.079 0.000 1.182 8 A CA 2.211 54.255 52.037 0.011 0.000 0.633 8 A CB -0.606 18.271 19.000 -0.204 0.000 0.819 8 A HN 0.622 nan 8.150 nan 0.000 0.448 9 D N -1.945 118.239 120.400 -0.360 0.000 2.149 9 D HA -0.124 4.516 4.640 0.000 0.000 0.201 9 D C 1.712 177.875 176.300 -0.229 0.000 0.972 9 D CA 1.401 55.160 54.000 -0.402 0.000 0.835 9 D CB -0.460 39.821 40.800 -0.866 0.000 0.966 9 D HN 0.613 nan 8.370 nan 0.000 0.476 10 Y N 1.653 121.776 120.300 -0.294 0.000 2.128 10 Y HA -0.229 4.321 4.550 -0.000 0.000 0.284 10 Y C 2.236 178.170 175.900 0.056 0.000 1.154 10 Y CA 1.096 59.214 58.100 0.030 0.000 1.149 10 Y CB -0.356 38.150 38.460 0.077 0.000 0.976 10 Y HN -0.099 nan 8.280 nan 0.000 0.505 11 L N -0.238 121.142 121.223 0.261 0.000 1.989 11 L HA -0.225 4.115 4.340 0.000 0.000 0.211 11 L C 2.082 179.041 176.870 0.148 0.000 1.071 11 L CA 1.705 56.679 54.840 0.223 0.000 0.749 11 L CB -1.265 40.931 42.059 0.230 0.000 0.890 11 L HN 0.255 nan 8.230 nan 0.000 0.431 12 L N -0.177 121.131 121.223 0.141 0.000 2.043 12 L HA -0.251 4.089 4.340 0.000 0.000 0.212 12 L C 2.429 179.321 176.870 0.038 0.000 1.075 12 L CA 1.716 56.614 54.840 0.097 0.000 0.752 12 L CB -1.796 40.285 42.059 0.036 0.000 0.891 12 L HN 0.361 nan 8.230 nan 0.000 0.432 13 D N -0.800 119.599 120.400 -0.003 0.000 2.123 13 D HA -0.165 4.475 4.640 0.000 0.000 0.196 13 D C 2.298 178.548 176.300 -0.083 0.000 0.992 13 D CA 0.768 54.744 54.000 -0.040 0.000 0.833 13 D CB 0.033 40.802 40.800 -0.052 0.000 0.954 13 D HN 0.152 nan 8.370 nan 0.000 0.455 14 R N 0.070 120.503 120.500 -0.112 0.000 2.148 14 R HA -0.028 4.312 4.340 0.000 0.000 0.227 14 R C 2.229 178.487 176.300 -0.069 0.000 1.103 14 R CA 0.141 56.182 56.100 -0.099 0.000 0.983 14 R CB -0.785 29.483 30.300 -0.054 0.000 0.874 14 R HN 0.232 nan 8.270 nan 0.000 0.451 15 L N 0.567 121.793 121.223 0.004 0.000 2.017 15 L HA -0.152 4.188 4.340 0.000 0.000 0.208 15 L C 2.578 179.433 176.870 -0.025 0.000 1.073 15 L CA 2.336 57.200 54.840 0.041 0.000 0.745 15 L CB -1.236 40.919 42.059 0.159 0.000 0.894 15 L HN 0.317 nan 8.230 nan 0.000 0.432 16 T N -4.172 110.381 114.554 -0.002 0.000 2.788 16 T HA -0.193 4.157 4.350 0.000 0.000 0.268 16 T C 1.650 176.327 174.700 -0.039 0.000 1.044 16 T CA 1.379 63.478 62.100 -0.001 0.000 1.139 16 T CB -0.516 68.352 68.868 0.001 0.000 0.867 16 T HN 0.197 nan 8.240 nan 0.000 0.454 17 D N 0.746 121.103 120.400 -0.072 0.000 2.149 17 D HA -0.039 4.601 4.640 0.000 0.000 0.198 17 D C 2.029 178.271 176.300 -0.097 0.000 0.990 17 D CA 0.823 54.775 54.000 -0.080 0.000 0.839 17 D CB -0.720 40.021 40.800 -0.098 0.000 0.948 17 D HN 0.496 nan 8.370 nan 0.000 0.460 18 C N -0.760 118.394 119.300 -0.243 0.000 2.522 18 C HA 0.366 4.826 4.460 0.000 0.000 0.271 18 C C 1.864 176.669 174.990 -0.308 0.000 1.425 18 C CA 0.591 59.325 59.018 -0.474 0.000 1.751 18 C CB -0.740 26.172 27.740 -1.381 0.000 1.775 18 C HN 0.587 nan 8.230 nan 0.000 0.557 19 G N -0.372 108.376 108.800 -0.086 0.000 2.175 19 G HA2 0.070 4.030 3.960 0.000 0.000 0.182 19 G HA3 0.070 4.030 3.960 0.000 0.000 0.182 19 G C -0.026 175.018 174.900 0.239 0.000 1.003 19 G CA 0.020 45.170 45.100 0.084 0.000 0.666 19 G HN 0.823 nan 8.290 nan 0.000 0.506 20 A N 0.141 123.121 122.820 0.267 0.000 2.301 20 A HA 0.698 5.018 4.320 0.000 0.000 0.312 20 A C 0.535 178.273 177.584 0.256 0.000 1.182 20 A CA 0.130 52.414 52.037 0.412 0.000 0.826 20 A CB 0.696 19.968 19.000 0.454 0.000 1.134 20 A HN 0.092 nan 8.150 nan 0.000 0.501 21 D N 0.083 120.677 120.400 0.324 0.000 2.500 21 D HA 0.154 4.794 4.640 0.000 0.000 0.217 21 D C -0.510 175.641 176.300 -0.248 0.000 1.159 21 D CA 0.726 54.760 54.000 0.056 0.000 0.828 21 D CB 0.360 41.190 40.800 0.051 0.000 1.039 21 D HN 0.723 nan 8.370 nan 0.000 0.512 22 H N -0.421 118.616 119.070 -0.054 0.000 2.946 22 H HA 0.613 5.169 4.556 0.000 0.000 0.365 22 H C -1.285 173.811 175.328 -0.385 0.000 1.197 22 H CA -0.796 55.062 56.048 -0.317 0.000 1.131 22 H CB 2.265 31.675 29.762 -0.588 0.000 1.849 22 H HN -0.164 nan 8.280 nan 0.000 0.555 23 L N 1.912 122.970 121.223 -0.275 0.000 2.406 23 L HA 0.489 4.829 4.340 0.000 0.000 0.272 23 L C -1.837 174.797 176.870 -0.394 0.000 0.980 23 L CA -0.323 54.447 54.840 -0.117 0.000 0.831 23 L CB 0.403 42.592 42.059 0.216 0.000 1.253 23 L HN 0.469 nan 8.230 nan 0.000 0.406 24 F N 3.414 123.244 119.950 -0.199 0.000 2.403 24 F HA 0.920 5.447 4.527 0.000 0.000 0.326 24 F C 1.136 176.811 175.800 -0.208 0.000 1.081 24 F CA 0.483 58.289 58.000 -0.322 0.000 1.041 24 F CB 1.907 40.782 39.000 -0.209 0.000 1.234 24 F HN 0.696 nan 8.300 nan 0.000 0.503 25 G N -0.206 108.547 108.800 -0.078 0.000 2.356 25 G HA2 0.400 4.360 3.960 0.000 0.000 0.288 25 G HA3 0.400 4.360 3.960 0.000 0.000 0.288 25 G C -2.266 172.816 174.900 0.302 0.000 1.302 25 G CA -0.316 44.898 45.100 0.189 0.000 0.887 25 G HN 1.171 nan 8.290 nan 0.000 0.521 26 V N -0.424 119.750 119.914 0.434 0.000 2.686 26 V HA 0.903 5.023 4.120 0.000 0.000 0.306 26 V C -2.317 173.990 176.094 0.356 0.000 1.065 26 V CA -1.498 61.045 62.300 0.405 0.000 0.894 26 V CB 2.172 34.119 31.823 0.207 0.000 1.004 26 V HN 0.945 nan 8.190 nan 0.000 0.424 27 P HA 0.462 nan 4.420 nan 0.000 0.270 27 P C 0.028 177.394 177.300 0.111 0.000 1.221 27 P CA 0.572 63.740 63.100 0.114 0.000 0.788 27 P CB 0.959 32.680 31.700 0.036 0.000 0.904 28 G N -0.276 108.575 108.800 0.086 0.000 2.702 28 G HA2 0.208 4.168 3.960 0.000 0.000 0.296 28 G HA3 0.208 4.168 3.960 0.000 0.000 0.296 28 G C 0.243 175.181 174.900 0.063 0.000 1.463 28 G CA -0.165 44.994 45.100 0.097 0.000 0.890 28 G HN 0.463 nan 8.290 nan 0.000 0.534 29 D N 0.334 120.734 120.400 0.001 0.000 2.370 29 D HA -0.288 4.352 4.640 0.000 0.000 0.190 29 D C 1.473 177.743 176.300 -0.050 0.000 1.019 29 D CA 2.133 56.071 54.000 -0.104 0.000 0.869 29 D CB -0.135 40.504 40.800 -0.269 0.000 0.944 29 D HN 0.413 nan 8.370 nan 0.000 0.456 30 Y N -0.134 120.270 120.300 0.172 0.000 2.632 30 Y HA 0.065 4.615 4.550 -0.000 0.000 0.301 30 Y C 1.371 177.319 175.900 0.080 0.000 1.172 30 Y CA 1.091 59.257 58.100 0.110 0.000 1.328 30 Y CB -0.673 37.855 38.460 0.114 0.000 1.016 30 Y HN 0.290 nan 8.280 nan 0.000 0.529 31 N N -2.440 116.384 118.700 0.207 0.000 2.160 31 N HA 0.041 4.781 4.740 0.000 0.000 0.226 31 N C 0.810 176.405 175.510 0.142 0.000 1.256 31 N CA 0.119 53.278 53.050 0.182 0.000 0.890 31 N CB -0.585 38.008 38.487 0.177 0.000 1.116 31 N HN -0.002 nan 8.380 nan 0.000 0.517 32 L N 1.138 122.405 121.223 0.075 0.000 1.989 32 L HA -0.080 4.260 4.340 0.000 0.000 0.211 32 L C 2.408 179.283 176.870 0.009 0.000 1.071 32 L CA 1.845 56.686 54.840 0.002 0.000 0.749 32 L CB -1.102 40.953 42.059 -0.008 0.000 0.890 32 L HN 0.328 nan 8.230 nan 0.000 0.431 33 Q N -1.768 118.072 119.800 0.066 0.000 2.124 33 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 33 Q C 2.279 178.377 176.000 0.163 0.000 0.977 33 Q CA 1.667 57.518 55.803 0.081 0.000 0.850 33 Q CB -0.458 28.341 28.738 0.102 0.000 0.901 33 Q HN 0.469 nan 8.270 nan 0.000 0.429 34 F N 1.266 121.248 119.950 0.053 0.000 2.186 34 F HA -0.167 4.360 4.527 0.000 0.000 0.299 34 F C 1.840 177.661 175.800 0.035 0.000 1.090 34 F CA 0.596 58.643 58.000 0.078 0.000 1.307 34 F CB -0.155 38.856 39.000 0.019 0.000 1.019 34 F HN -0.021 nan 8.300 nan 0.000 0.489 35 L N 0.882 122.026 121.223 -0.132 0.000 2.079 35 L HA -0.239 4.101 4.340 0.000 0.000 0.210 35 L C 2.061 178.716 176.870 -0.357 0.000 1.081 35 L CA 1.674 56.294 54.840 -0.367 0.000 0.752 35 L CB -1.397 40.431 42.059 -0.386 0.000 0.896 35 L HN 0.151 nan 8.230 nan 0.000 0.433 36 D N -1.508 118.736 120.400 -0.259 0.000 2.104 36 D HA -0.215 4.425 4.640 0.000 0.000 0.194 36 D C 2.088 178.176 176.300 -0.354 0.000 0.994 36 D CA 1.268 55.095 54.000 -0.288 0.000 0.830 36 D CB -0.161 40.459 40.800 -0.300 0.000 0.959 36 D HN 0.467 nan 8.370 nan 0.000 0.452 37 H N 0.045 118.940 119.070 -0.292 0.000 2.387 37 H HA -0.077 4.479 4.556 0.000 0.000 0.299 37 H C 2.357 177.496 175.328 -0.314 0.000 1.090 37 H CA 1.175 57.046 56.048 -0.294 0.000 1.332 37 H CB -0.322 29.238 29.762 -0.337 0.000 1.386 37 H HN 0.082 nan 8.280 nan 0.000 0.516 38 V N 0.648 120.364 119.914 -0.331 0.000 2.548 38 V HA -0.126 3.994 4.120 0.000 0.000 0.249 38 V C 2.192 178.211 176.094 -0.126 0.000 1.055 38 V CA 1.154 63.314 62.300 -0.234 0.000 1.065 38 V CB -0.599 31.076 31.823 -0.247 0.000 0.681 38 V HN 0.256 nan 8.190 nan 0.000 0.462 39 I N 0.295 120.770 120.570 -0.158 0.000 2.439 39 I HA -0.092 4.079 4.170 0.000 0.000 0.251 39 I C 2.018 178.085 176.117 -0.085 0.000 1.139 39 I CA 1.628 62.870 61.300 -0.097 0.000 1.438 39 I CB -0.310 37.616 38.000 -0.124 0.000 1.085 39 I HN 0.335 nan 8.210 nan 0.000 0.427 40 D N 0.202 120.532 120.400 -0.116 0.000 2.347 40 D HA -0.025 4.616 4.640 0.000 0.000 0.213 40 D C 1.112 177.379 176.300 -0.055 0.000 0.985 40 D CA 0.357 54.302 54.000 -0.091 0.000 0.879 40 D CB 0.118 40.842 40.800 -0.128 0.000 0.919 40 D HN 0.087 nan 8.370 nan 0.000 0.526 41 S N 1.596 117.264 115.700 -0.054 0.000 2.549 41 S HA 0.116 4.586 4.470 0.000 0.000 0.279 41 S C -1.505 173.080 174.600 -0.026 0.000 1.321 41 S CA -1.064 57.119 58.200 -0.029 0.000 1.054 41 S CB 1.423 64.603 63.200 -0.034 0.000 0.899 41 S HN -0.046 nan 8.310 nan 0.000 0.497 42 P HA 0.227 nan 4.420 nan 0.000 0.261 42 P C -0.137 177.148 177.300 -0.025 0.000 1.268 42 P CA 0.251 63.340 63.100 -0.017 0.000 0.833 42 P CB 0.300 31.996 31.700 -0.006 0.000 1.231 43 D N -0.602 119.783 120.400 -0.025 0.000 2.417 43 D HA 0.143 4.783 4.640 0.000 0.000 0.207 43 D C 0.584 176.850 176.300 -0.056 0.000 1.075 43 D CA 0.327 54.309 54.000 -0.031 0.000 0.851 43 D CB 1.142 41.936 40.800 -0.011 0.000 0.976 43 D HN 0.169 nan 8.370 nan 0.000 0.505 44 I N 1.266 121.802 120.570 -0.057 0.000 2.465 44 I HA 0.170 4.340 4.170 0.000 0.000 0.291 44 I C -0.267 175.796 176.117 -0.089 0.000 1.014 44 I CA -0.794 60.462 61.300 -0.073 0.000 1.093 44 I CB 1.873 39.867 38.000 -0.011 0.000 1.267 44 I HN -0.091 nan 8.210 nan 0.000 0.431 45 C N 7.610 126.800 119.300 -0.184 0.000 2.295 45 C HA 0.421 4.881 4.460 0.000 0.000 0.331 45 C C 0.085 175.068 174.990 -0.012 0.000 1.280 45 C CA -0.574 58.371 59.018 -0.122 0.000 1.746 45 C CB 0.408 27.986 27.740 -0.271 0.000 2.328 45 C HN 0.877 nan 8.230 nan 0.000 0.521 46 W N 6.665 127.903 121.300 -0.103 0.000 2.238 46 W HA 0.560 5.220 4.660 0.000 0.000 0.321 46 W C -1.505 174.967 176.519 -0.079 0.000 1.293 46 W CA -0.344 56.949 57.345 -0.088 0.000 1.204 46 W CB 1.155 30.583 29.460 -0.053 0.000 1.167 46 W HN 0.520 nan 8.180 nan 0.000 0.553 47 V N 6.808 126.055 119.914 -1.111 0.000 2.340 47 V HA 0.283 4.403 4.120 0.000 0.000 0.277 47 V C 0.751 176.153 176.094 -1.153 0.000 1.017 47 V CA -0.721 61.034 62.300 -0.908 0.000 0.820 47 V CB 0.582 31.900 31.823 -0.841 0.000 1.028 47 V HN 0.702 nan 8.190 nan 0.000 0.436 48 G N 2.540 110.775 108.800 -0.940 0.000 2.403 48 G HA2 0.424 4.384 3.960 0.000 0.000 0.259 48 G HA3 0.424 4.384 3.960 0.000 0.000 0.259 48 G C -0.091 174.761 174.900 -0.079 0.000 1.244 48 G CA -0.037 44.839 45.100 -0.375 0.000 0.849 48 G HN 0.722 nan 8.290 nan 0.000 0.532 49 C N 0.831 120.129 119.300 -0.003 0.000 2.531 49 C HA 0.683 5.143 4.460 0.000 0.000 0.369 49 C C 1.974 176.967 174.990 0.006 0.000 1.258 49 C CA 0.252 59.277 59.018 0.011 0.000 1.876 49 C CB 1.530 29.305 27.740 0.058 0.000 2.256 49 C HN 0.913 nan 8.230 nan 0.000 0.510 50 A N 1.088 123.884 122.820 -0.040 0.000 1.930 50 A HA 0.026 4.346 4.320 0.000 0.000 0.217 50 A C 0.564 178.152 177.584 0.006 0.000 1.175 50 A CA 1.989 54.014 52.037 -0.020 0.000 0.627 50 A CB -0.530 18.443 19.000 -0.045 0.000 0.815 50 A HN 1.037 nan 8.150 nan 0.000 0.443 51 N N -2.320 116.382 118.700 0.003 0.000 2.591 51 N HA 0.227 4.967 4.740 0.000 0.000 0.263 51 N C -0.089 175.416 175.510 -0.008 0.000 1.308 51 N CA -0.142 52.912 53.050 0.006 0.000 0.837 51 N CB 0.501 38.988 38.487 0.001 0.000 1.548 51 N HN 0.027 nan 8.380 nan 0.000 0.493 52 E N 0.204 120.397 120.200 -0.012 0.000 2.268 52 E HA -0.114 4.236 4.350 0.000 0.000 0.195 52 E C 1.125 177.653 176.600 -0.120 0.000 0.995 52 E CA 0.328 56.706 56.400 -0.037 0.000 0.836 52 E CB -0.060 29.632 29.700 -0.014 0.000 0.763 52 E HN 0.612 nan 8.360 nan 0.000 0.491 53 L N 1.409 122.545 121.223 -0.143 0.000 2.027 53 L HA -0.138 4.202 4.340 0.000 0.000 0.206 53 L C 1.775 178.408 176.870 -0.395 0.000 1.074 53 L CA 1.564 56.227 54.840 -0.295 0.000 0.745 53 L CB -0.470 41.455 42.059 -0.223 0.000 0.898 53 L HN 0.141 nan 8.230 nan 0.000 0.433 54 N N -0.178 118.429 118.700 -0.155 0.000 2.120 54 N HA -0.181 4.559 4.740 0.000 0.000 0.188 54 N C 1.904 177.383 175.510 -0.051 0.000 1.024 54 N CA 1.161 54.197 53.050 -0.022 0.000 0.852 54 N CB -0.113 38.384 38.487 0.016 0.000 1.003 54 N HN 0.416 nan 8.380 nan 0.000 0.424 55 A N 1.391 124.170 122.820 -0.068 0.000 1.892 55 A HA -0.236 4.084 4.320 0.000 0.000 0.218 55 A C 2.391 179.870 177.584 -0.175 0.000 1.188 55 A CA 2.261 54.260 52.037 -0.063 0.000 0.631 55 A CB -0.954 18.047 19.000 0.001 0.000 0.822 55 A HN 0.463 nan 8.150 nan 0.000 0.447 56 S N -1.505 114.074 115.700 -0.202 0.000 2.382 56 S HA -0.193 4.277 4.470 0.000 0.000 0.228 56 S C 1.900 176.435 174.600 -0.108 0.000 1.027 56 S CA 1.512 59.582 58.200 -0.216 0.000 0.991 56 S CB -0.767 62.268 63.200 -0.275 0.000 0.823 56 S HN 0.511 nan 8.310 nan 0.000 0.469 57 Y N 2.439 122.689 120.300 -0.084 0.000 2.200 57 Y HA 0.185 4.735 4.550 -0.000 0.000 0.290 57 Y C 3.066 178.825 175.900 -0.236 0.000 1.137 57 Y CA -0.093 57.965 58.100 -0.069 0.000 1.163 57 Y CB -1.401 36.999 38.460 -0.101 0.000 0.988 57 Y HN 0.378 nan 8.280 nan 0.000 0.518 58 A N 0.163 122.888 122.820 -0.157 0.000 1.883 58 A HA -0.177 4.143 4.320 0.000 0.000 0.217 58 A C 2.524 179.661 177.584 -0.745 0.000 1.186 58 A CA 2.248 54.011 52.037 -0.457 0.000 0.624 58 A CB -1.269 17.393 19.000 -0.562 0.000 0.822 58 A HN 0.392 nan 8.150 nan 0.000 0.444 59 A N -0.459 121.909 122.820 -0.753 0.000 1.933 59 A HA -0.216 4.104 4.320 0.000 0.000 0.218 59 A C 1.967 179.464 177.584 -0.145 0.000 1.175 59 A CA 1.917 53.662 52.037 -0.487 0.000 0.628 59 A CB -0.589 18.259 19.000 -0.253 0.000 0.814 59 A HN 0.602 nan 8.150 nan 0.000 0.444 60 D N -0.274 120.087 120.400 -0.066 0.000 2.097 60 D HA -0.111 4.529 4.640 0.000 0.000 0.195 60 D C 2.107 178.455 176.300 0.080 0.000 0.989 60 D CA 1.678 55.720 54.000 0.069 0.000 0.827 60 D CB -0.436 40.517 40.800 0.256 0.000 0.966 60 D HN 0.328 nan 8.370 nan 0.000 0.456 61 G N -0.482 108.325 108.800 0.013 0.000 2.446 61 G HA2 -0.332 3.628 3.960 0.000 0.000 0.217 61 G HA3 -0.332 3.628 3.960 0.000 0.000 0.217 61 G C 1.655 176.566 174.900 0.018 0.000 1.168 61 G CA 1.023 46.111 45.100 -0.019 0.000 0.771 61 G HN 0.375 nan 8.290 nan 0.000 0.551 62 Y N 2.027 122.250 120.300 -0.128 0.000 2.114 62 Y HA -0.113 4.437 4.550 -0.000 0.000 0.282 62 Y C 2.938 178.845 175.900 0.012 0.000 1.165 62 Y CA 1.701 59.777 58.100 -0.040 0.000 1.148 62 Y CB -0.405 38.080 38.460 0.042 0.000 0.972 62 Y HN 0.250 nan 8.280 nan 0.000 0.504 63 A N 0.303 123.272 122.820 0.247 0.000 2.015 63 A HA -0.141 4.179 4.320 0.000 0.000 0.219 63 A C 2.183 179.808 177.584 0.069 0.000 1.163 63 A CA 1.381 53.513 52.037 0.158 0.000 0.646 63 A CB -0.518 18.522 19.000 0.067 0.000 0.806 63 A HN 0.530 nan 8.150 nan 0.000 0.448 64 R N -1.373 119.157 120.500 0.050 0.000 2.307 64 R HA 0.001 4.341 4.340 0.000 0.000 0.199 64 R C 1.367 177.663 176.300 -0.007 0.000 1.000 64 R CA 0.928 57.047 56.100 0.033 0.000 1.023 64 R CB -0.360 29.971 30.300 0.052 0.000 0.908 64 R HN 0.621 nan 8.270 nan 0.000 0.473 65 C N -0.461 118.809 119.300 -0.050 0.000 2.406 65 C HA 0.152 4.612 4.460 0.000 0.000 0.343 65 C C 1.785 176.712 174.990 -0.105 0.000 1.397 65 C CA 0.133 59.092 59.018 -0.098 0.000 2.069 65 C CB 0.131 27.767 27.740 -0.173 0.000 2.374 65 C HN 0.344 nan 8.230 nan 0.000 0.545 66 K N 0.514 120.838 120.400 -0.125 0.000 2.358 66 K HA 0.285 4.605 4.320 0.000 0.000 0.197 66 K C 1.304 177.940 176.600 0.060 0.000 1.025 66 K CA 0.798 57.050 56.287 -0.059 0.000 1.104 66 K CB 0.420 32.844 32.500 -0.126 0.000 0.855 66 K HN 0.482 nan 8.250 nan 0.000 0.531 67 G N 1.697 110.539 108.800 0.071 0.000 2.179 67 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 67 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 67 G C -0.141 174.898 174.900 0.230 0.000 0.977 67 G CA 0.290 45.449 45.100 0.099 0.000 0.641 67 G HN 0.332 nan 8.290 nan 0.000 0.533 68 F N -0.101 119.916 119.950 0.113 0.000 2.708 68 F HA 0.652 5.179 4.527 0.000 0.000 0.309 68 F C -0.700 175.263 175.800 0.272 0.000 1.120 68 F CA 0.176 58.266 58.000 0.150 0.000 0.978 68 F CB 1.039 40.111 39.000 0.120 0.000 1.283 68 F HN 0.906 nan 8.300 nan 0.000 0.439 69 A N 2.584 125.211 122.820 -0.322 0.000 2.610 69 A HA 0.997 5.317 4.320 0.000 0.000 0.291 69 A C -2.009 175.459 177.584 -0.194 0.000 1.086 69 A CA -0.259 51.760 52.037 -0.031 0.000 0.677 69 A CB 1.375 20.409 19.000 0.057 0.000 1.278 69 A HN 1.815 nan 8.150 nan 0.000 0.414 70 A N -0.063 122.772 122.820 0.024 0.000 2.449 70 A HA 0.789 5.109 4.320 0.000 0.000 0.302 70 A C -1.496 176.166 177.584 0.130 0.000 1.048 70 A CA -0.418 51.672 52.037 0.089 0.000 0.708 70 A CB 1.441 20.571 19.000 0.215 0.000 1.274 70 A HN 2.106 nan 8.150 nan 0.000 0.410 71 L N 1.834 123.125 121.223 0.114 0.000 2.386 71 L HA 0.879 5.219 4.340 0.000 0.000 0.271 71 L C -1.738 175.260 176.870 0.213 0.000 0.993 71 L CA -0.685 54.225 54.840 0.117 0.000 0.819 71 L CB 1.856 43.870 42.059 -0.075 0.000 1.294 71 L HN 0.683 nan 8.230 nan 0.000 0.414 72 L N 4.601 125.995 121.223 0.284 0.000 2.372 72 L HA 0.839 5.179 4.340 0.000 0.000 0.274 72 L C -0.366 176.695 176.870 0.318 0.000 0.988 72 L CA 0.371 55.412 54.840 0.336 0.000 0.833 72 L CB 1.683 44.035 42.059 0.487 0.000 1.236 72 L HN 0.925 nan 8.230 nan 0.000 0.410 73 T N 0.059 114.774 114.554 0.268 0.000 2.858 73 T HA 0.641 4.991 4.350 0.000 0.000 0.285 73 T C -0.202 174.607 174.700 0.180 0.000 1.052 73 T CA -0.627 61.612 62.100 0.231 0.000 1.009 73 T CB 1.624 70.658 68.868 0.276 0.000 1.241 73 T HN 0.557 nan 8.240 nan 0.000 0.542 74 T N 0.252 114.901 114.554 0.158 0.000 2.895 74 T HA 0.530 4.880 4.350 0.000 0.000 0.283 74 T C -0.595 174.226 174.700 0.201 0.000 1.014 74 T CA -0.771 61.454 62.100 0.210 0.000 1.037 74 T CB 0.169 69.154 68.868 0.196 0.000 1.006 74 T HN 0.522 nan 8.240 nan 0.000 0.468 75 F N 3.844 123.902 119.950 0.180 0.000 2.623 75 F HA 0.299 4.826 4.527 0.000 0.000 0.381 75 F C 1.508 177.333 175.800 0.042 0.000 1.081 75 F CA 1.947 60.042 58.000 0.158 0.000 1.293 75 F CB -0.295 38.820 39.000 0.191 0.000 1.006 75 F HN 0.976 nan 8.300 nan 0.000 0.578 76 G N 3.916 112.231 108.800 -0.809 0.000 3.729 76 G HA2 -0.402 3.558 3.960 0.000 0.000 0.327 76 G HA3 -0.402 3.558 3.960 0.000 0.000 0.327 76 G C 1.138 175.645 174.900 -0.656 0.000 1.293 76 G CA 1.497 45.922 45.100 -1.125 0.000 1.011 76 G HN 1.628 nan 8.290 nan 0.000 0.673 77 V N -0.009 119.644 119.914 -0.434 0.000 2.392 77 V HA 0.176 4.297 4.120 0.000 0.000 0.249 77 V C 2.732 178.701 176.094 -0.208 0.000 1.059 77 V CA 2.907 65.023 62.300 -0.307 0.000 1.051 77 V CB -1.470 30.154 31.823 -0.332 0.000 0.658 77 V HN 1.639 nan 8.190 nan 0.000 0.455 78 G N 1.381 110.080 108.800 -0.168 0.000 2.404 78 G HA2 -0.175 3.785 3.960 0.000 0.000 0.213 78 G HA3 -0.175 3.785 3.960 0.000 0.000 0.213 78 G C 1.480 176.379 174.900 -0.002 0.000 1.189 78 G CA 0.806 45.879 45.100 -0.045 0.000 0.796 78 G HN 0.768 nan 8.290 nan 0.000 0.532 79 E N 0.504 120.703 120.200 -0.001 0.000 2.077 79 E HA -0.079 4.271 4.350 0.000 0.000 0.193 79 E C 2.407 179.040 176.600 0.055 0.000 0.989 79 E CA 0.775 57.248 56.400 0.122 0.000 0.800 79 E CB -0.506 29.214 29.700 0.033 0.000 0.746 79 E HN 0.411 nan 8.360 nan 0.000 0.452 80 L N 1.196 122.344 121.223 -0.125 0.000 2.141 80 L HA -0.096 4.244 4.340 0.000 0.000 0.209 80 L C 2.535 179.367 176.870 -0.063 0.000 1.094 80 L CA 1.042 55.814 54.840 -0.113 0.000 0.763 80 L CB -0.354 41.568 42.059 -0.227 0.000 0.908 80 L HN 0.164 nan 8.230 nan 0.000 0.437 81 S N -0.030 115.627 115.700 -0.071 0.000 2.442 81 S HA -0.097 4.373 4.470 0.000 0.000 0.236 81 S C 1.860 176.417 174.600 -0.071 0.000 1.007 81 S CA 1.141 59.305 58.200 -0.060 0.000 0.965 81 S CB -0.076 63.090 63.200 -0.056 0.000 0.773 81 S HN 0.500 nan 8.310 nan 0.000 0.504 82 A N 0.538 123.322 122.820 -0.061 0.000 2.308 82 A HA 0.292 4.612 4.320 0.000 0.000 0.217 82 A C 1.826 179.357 177.584 -0.088 0.000 1.216 82 A CA -0.012 51.950 52.037 -0.125 0.000 0.864 82 A CB -0.285 18.595 19.000 -0.200 0.000 0.902 82 A HN 0.297 nan 8.150 nan 0.000 0.499 83 M N 0.328 119.918 119.600 -0.016 0.000 2.113 83 M HA -0.256 4.224 4.480 0.000 0.000 0.255 83 M C 2.036 178.335 176.300 -0.002 0.000 1.073 83 M CA 1.999 57.304 55.300 0.009 0.000 1.091 83 M CB -1.222 31.392 32.600 0.024 0.000 1.309 83 M HN 0.744 nan 8.290 nan 0.000 0.407 84 N N -0.155 118.571 118.700 0.043 0.000 2.223 84 N HA -0.129 4.611 4.740 0.000 0.000 0.185 84 N C 1.721 177.300 175.510 0.114 0.000 1.016 84 N CA 1.273 54.432 53.050 0.181 0.000 0.863 84 N CB 0.003 38.637 38.487 0.245 0.000 0.983 84 N HN 0.382 nan 8.380 nan 0.000 0.429 85 G N 1.643 110.408 108.800 -0.058 0.000 2.414 85 G HA2 -0.139 3.821 3.960 0.000 0.000 0.215 85 G HA3 -0.139 3.821 3.960 0.000 0.000 0.215 85 G C 1.525 176.370 174.900 -0.091 0.000 1.188 85 G CA 0.306 45.362 45.100 -0.072 0.000 0.783 85 G HN 0.194 nan 8.290 nan 0.000 0.537 86 I N 2.151 122.646 120.570 -0.124 0.000 2.208 86 I HA -0.179 3.991 4.170 0.000 0.000 0.245 86 I C 3.298 179.303 176.117 -0.188 0.000 1.097 86 I CA 1.261 62.497 61.300 -0.107 0.000 1.363 86 I CB -1.409 36.575 38.000 -0.026 0.000 1.051 86 I HN 0.262 nan 8.210 nan 0.000 0.413 87 A N 1.113 123.749 122.820 -0.307 0.000 1.892 87 A HA -0.164 4.156 4.320 0.000 0.000 0.218 87 A C 2.541 179.529 177.584 -0.993 0.000 1.188 87 A CA 2.148 53.816 52.037 -0.616 0.000 0.631 87 A CB -1.414 17.157 19.000 -0.714 0.000 0.822 87 A HN 0.441 nan 8.150 nan 0.000 0.447 88 G N -0.966 107.166 108.800 -1.114 0.000 2.418 88 G HA2 -0.140 3.820 3.960 0.000 0.000 0.217 88 G HA3 -0.140 3.820 3.960 0.000 0.000 0.217 88 G C 1.822 176.496 174.900 -0.376 0.000 1.158 88 G CA 1.325 45.828 45.100 -0.995 0.000 0.771 88 G HN 0.499 nan 8.290 nan 0.000 0.545 89 S N -0.340 115.231 115.700 -0.216 0.000 2.368 89 S HA -0.143 4.327 4.470 0.000 0.000 0.225 89 S C 1.969 176.507 174.600 -0.102 0.000 1.030 89 S CA 1.233 59.374 58.200 -0.099 0.000 0.999 89 S CB -0.443 62.723 63.200 -0.057 0.000 0.844 89 S HN 0.523 nan 8.310 nan 0.000 0.459 90 Y N 2.325 122.476 120.300 -0.247 0.000 2.181 90 Y HA -0.099 4.450 4.550 -0.000 0.000 0.288 90 Y C 2.406 178.158 175.900 -0.246 0.000 1.146 90 Y CA 0.977 58.932 58.100 -0.242 0.000 1.164 90 Y CB -0.727 37.590 38.460 -0.239 0.000 0.982 90 Y HN 0.212 nan 8.280 nan 0.000 0.515 91 A N 0.214 122.987 122.820 -0.079 0.000 1.933 91 A HA -0.159 4.162 4.320 0.000 0.000 0.218 91 A C 1.738 179.330 177.584 0.013 0.000 1.175 91 A CA 1.870 53.895 52.037 -0.020 0.000 0.628 91 A CB -0.467 18.527 19.000 -0.011 0.000 0.814 91 A HN 0.626 nan 8.150 nan 0.000 0.444 92 E N -0.986 119.204 120.200 -0.016 0.000 2.499 92 E HA 0.167 4.517 4.350 0.000 0.000 0.199 92 E C -0.906 175.898 176.600 0.341 0.000 1.016 92 E CA -0.398 56.043 56.400 0.068 0.000 0.933 92 E CB -0.047 29.600 29.700 -0.088 0.000 1.050 92 E HN 0.694 nan 8.360 nan 0.000 0.462 93 H N -0.616 118.484 119.070 0.050 0.000 2.672 93 H HA -0.135 4.421 4.556 -0.000 0.000 0.325 93 H C -0.986 174.350 175.328 0.013 0.000 1.158 93 H CA 0.277 56.338 56.048 0.022 0.000 1.134 93 H CB -1.865 27.960 29.762 0.104 0.000 1.553 93 H HN -0.041 nan 8.280 nan 0.000 0.419 94 V N 2.319 122.254 119.914 0.034 0.000 2.378 94 V HA 0.281 4.401 4.120 0.000 0.000 0.288 94 V C -1.743 174.326 176.094 -0.042 0.000 1.016 94 V CA -1.587 60.724 62.300 0.018 0.000 0.840 94 V CB 1.954 33.792 31.823 0.024 0.000 0.994 94 V HN 0.209 nan 8.190 nan 0.000 0.431 95 P HA 0.105 nan 4.420 nan 0.000 0.264 95 P C -0.517 176.578 177.300 -0.342 0.000 1.537 95 P CA 0.272 63.290 63.100 -0.137 0.000 1.189 95 P CB 0.542 32.215 31.700 -0.046 0.000 1.687 96 V N 5.402 125.173 119.914 -0.238 0.000 2.417 96 V HA 0.219 4.339 4.120 0.000 0.000 0.291 96 V C 0.414 176.398 176.094 -0.183 0.000 1.024 96 V CA -0.958 61.185 62.300 -0.261 0.000 0.861 96 V CB 1.821 33.564 31.823 -0.134 0.000 0.985 96 V HN 0.300 nan 8.190 nan 0.000 0.436 97 L N 5.150 126.244 121.223 -0.214 0.000 2.276 97 L HA 0.461 4.801 4.340 0.000 0.000 0.286 97 L C -0.189 176.733 176.870 0.086 0.000 1.061 97 L CA 0.264 55.104 54.840 0.000 0.000 0.807 97 L CB 0.563 42.691 42.059 0.114 0.000 1.177 97 L HN 0.753 nan 8.230 nan 0.000 0.429 98 H N 5.744 124.800 119.070 -0.022 0.000 2.581 98 H HA 0.491 5.047 4.556 0.000 0.000 0.308 98 H C -0.936 174.277 175.328 -0.192 0.000 1.040 98 H CA -0.887 55.115 56.048 -0.078 0.000 1.231 98 H CB 0.824 30.550 29.762 -0.060 0.000 1.396 98 H HN 0.653 nan 8.280 nan 0.000 0.467 99 I N 6.278 126.896 120.570 0.081 0.000 2.354 99 I HA 0.153 4.323 4.170 0.000 0.000 0.292 99 I C -0.550 175.470 176.117 -0.162 0.000 0.989 99 I CA -0.832 60.391 61.300 -0.128 0.000 1.188 99 I CB 1.846 39.803 38.000 -0.073 0.000 1.342 99 I HN 0.297 nan 8.210 nan 0.000 0.457 100 V N 6.262 125.976 119.914 -0.333 0.000 2.407 100 V HA 0.702 4.822 4.120 0.000 0.000 0.291 100 V C 0.333 176.379 176.094 -0.080 0.000 1.018 100 V CA -0.247 61.941 62.300 -0.187 0.000 0.842 100 V CB 1.371 33.024 31.823 -0.284 0.000 0.996 100 V HN 0.822 nan 8.190 nan 0.000 0.426 101 G N 5.308 114.114 108.800 0.010 0.000 2.378 101 G HA2 0.620 4.580 3.960 0.000 0.000 0.255 101 G HA3 0.620 4.580 3.960 0.000 0.000 0.255 101 G C -0.070 174.890 174.900 0.100 0.000 1.270 101 G CA 0.336 45.456 45.100 0.033 0.000 0.876 101 G HN 1.584 nan 8.290 nan 0.000 0.521 102 A N 4.194 126.969 122.820 -0.076 0.000 2.435 102 A HA 0.957 5.277 4.320 0.000 0.000 0.296 102 A C -2.678 174.526 177.584 -0.633 0.000 1.147 102 A CA -1.636 50.176 52.037 -0.375 0.000 0.775 102 A CB 1.570 20.374 19.000 -0.327 0.000 1.340 102 A HN 0.520 nan 8.150 nan 0.000 0.427 103 P HA 0.233 nan 4.420 nan 0.000 0.270 103 P C 0.467 177.470 177.300 -0.495 0.000 1.227 103 P CA 0.375 62.967 63.100 -0.848 0.000 0.788 103 P CB 0.404 31.555 31.700 -0.916 0.000 0.926 104 G N -0.175 108.437 108.800 -0.315 0.000 2.491 104 G HA2 0.154 4.114 3.960 0.000 0.000 0.238 104 G HA3 0.154 4.114 3.960 0.000 0.000 0.238 104 G C 1.270 175.979 174.900 -0.318 0.000 1.277 104 G CA 0.167 45.119 45.100 -0.247 0.000 0.851 104 G HN 0.574 nan 8.290 nan 0.000 0.573 105 T N -0.161 114.237 114.554 -0.260 0.000 2.699 105 T HA -0.215 4.135 4.350 0.000 0.000 0.268 105 T C 2.533 177.080 174.700 -0.255 0.000 1.036 105 T CA 1.994 63.936 62.100 -0.263 0.000 1.147 105 T CB -0.372 68.382 68.868 -0.190 0.000 0.862 105 T HN 0.759 nan 8.240 nan 0.000 0.446 106 A N 2.051 124.751 122.820 -0.199 0.000 1.902 106 A HA 0.338 4.658 4.320 0.000 0.000 0.217 106 A C 2.884 180.345 177.584 -0.204 0.000 1.181 106 A CA 1.981 53.919 52.037 -0.166 0.000 0.623 106 A CB -1.449 17.481 19.000 -0.116 0.000 0.818 106 A HN 0.805 nan 8.150 nan 0.000 0.443 107 A N -0.746 121.926 122.820 -0.247 0.000 1.933 107 A HA -0.221 4.099 4.320 0.000 0.000 0.218 107 A C 2.129 179.431 177.584 -0.470 0.000 1.175 107 A CA 1.695 53.566 52.037 -0.277 0.000 0.628 107 A CB -0.542 18.298 19.000 -0.265 0.000 0.814 107 A HN 0.672 nan 8.150 nan 0.000 0.444 108 Q N -1.227 118.151 119.800 -0.703 0.000 2.079 108 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 108 Q C 2.309 178.026 176.000 -0.471 0.000 0.974 108 Q CA 1.232 56.389 55.803 -1.078 0.000 0.840 108 Q CB -0.189 27.958 28.738 -0.985 0.000 0.898 108 Q HN 0.556 nan 8.270 nan 0.000 0.430 109 Q N 0.705 120.328 119.800 -0.295 0.000 2.135 109 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 109 Q C 1.836 177.780 176.000 -0.094 0.000 0.981 109 Q CA 1.405 57.115 55.803 -0.154 0.000 0.856 109 Q CB -0.106 28.555 28.738 -0.128 0.000 0.902 109 Q HN 0.219 nan 8.270 nan 0.000 0.425 110 R N -0.871 119.566 120.500 -0.105 0.000 2.237 110 R HA -0.024 4.316 4.340 0.000 0.000 0.219 110 R C 0.939 177.250 176.300 0.019 0.000 1.080 110 R CA 0.686 56.760 56.100 -0.043 0.000 0.995 110 R CB -0.179 30.091 30.300 -0.049 0.000 0.875 110 R HN 0.401 nan 8.270 nan 0.000 0.462 111 G N 1.623 110.466 108.800 0.072 0.000 2.323 111 G HA2 -0.315 3.645 3.960 0.000 0.000 0.292 111 G HA3 -0.315 3.645 3.960 0.000 0.000 0.292 111 G C -0.564 174.460 174.900 0.206 0.000 1.040 111 G CA 0.329 45.566 45.100 0.229 0.000 0.942 111 G HN 0.414 nan 8.290 nan 0.000 0.506 112 E N -1.002 119.329 120.200 0.219 0.000 2.371 112 E HA 0.400 4.750 4.350 0.000 0.000 0.257 112 E C 0.941 177.654 176.600 0.188 0.000 1.134 112 E CA -0.670 55.827 56.400 0.162 0.000 0.919 112 E CB 0.751 30.521 29.700 0.115 0.000 1.025 112 E HN 0.259 nan 8.360 nan 0.000 0.438 113 L N 3.143 124.437 121.223 0.120 0.000 2.391 113 L HA 0.095 4.435 4.340 0.000 0.000 0.249 113 L C -0.634 176.313 176.870 0.127 0.000 1.308 113 L CA -0.435 54.465 54.840 0.099 0.000 1.209 113 L CB -0.563 41.541 42.059 0.075 0.000 1.401 113 L HN 0.213 nan 8.230 nan 0.000 0.416 114 L N 1.098 122.419 121.223 0.164 0.000 2.418 114 L HA 0.208 4.548 4.340 0.000 0.000 0.265 114 L C 0.614 177.561 176.870 0.128 0.000 1.143 114 L CA -0.305 54.633 54.840 0.164 0.000 0.809 114 L CB 0.733 42.920 42.059 0.213 0.000 1.124 114 L HN 0.434 nan 8.230 nan 0.000 0.456 115 H N 0.915 120.060 119.070 0.124 0.000 2.771 115 H HA 0.220 4.776 4.556 0.000 0.000 0.364 115 H C -0.099 175.329 175.328 0.168 0.000 1.133 115 H CA -0.096 55.956 56.048 0.007 0.000 1.423 115 H CB 0.096 29.707 29.762 -0.251 0.000 1.425 115 H HN 0.626 nan 8.280 nan 0.000 0.606 116 H N -1.759 117.497 119.070 0.310 0.000 3.049 116 H HA -0.175 4.381 4.556 0.000 0.000 0.250 116 H C -0.069 175.473 175.328 0.357 0.000 1.219 116 H CA 0.943 57.175 56.048 0.307 0.000 1.117 116 H CB -2.381 27.646 29.762 0.441 0.000 1.251 116 H HN 1.017 nan 8.280 nan 0.000 0.338 117 T N -3.421 111.368 114.554 0.391 0.000 2.910 117 T HA 0.560 4.910 4.350 0.000 0.000 0.287 117 T C 1.070 175.911 174.700 0.236 0.000 1.050 117 T CA -1.059 61.239 62.100 0.330 0.000 1.011 117 T CB 1.618 70.512 68.868 0.044 0.000 1.195 117 T HN -0.068 nan 8.240 nan 0.000 0.540 118 L N 1.103 122.440 121.223 0.189 0.000 2.599 118 L HA 0.353 4.693 4.340 0.000 0.000 0.230 118 L C 2.064 178.981 176.870 0.078 0.000 1.141 118 L CA 1.318 56.244 54.840 0.142 0.000 0.877 118 L CB -1.329 40.809 42.059 0.133 0.000 1.009 118 L HN 1.267 nan 8.230 nan 0.000 0.447 119 G N 0.265 109.095 108.800 0.049 0.000 2.160 119 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 119 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 119 G C 0.424 175.334 174.900 0.016 0.000 1.022 119 G CA 0.573 45.694 45.100 0.035 0.000 0.741 119 G HN 0.497 nan 8.290 nan 0.000 0.508 120 D N -1.354 119.038 120.400 -0.013 0.000 2.503 120 D HA 0.382 5.022 4.640 0.000 0.000 0.218 120 D C 1.614 177.885 176.300 -0.047 0.000 1.183 120 D CA 0.384 54.379 54.000 -0.007 0.000 0.827 120 D CB -0.403 40.418 40.800 0.035 0.000 1.034 120 D HN 1.459 nan 8.370 nan 0.000 0.510 121 G N 0.536 109.273 108.800 -0.105 0.000 2.155 121 G HA2 -0.264 3.696 3.960 0.000 0.000 0.257 121 G HA3 -0.264 3.696 3.960 0.000 0.000 0.257 121 G C -0.194 174.623 174.900 -0.138 0.000 0.983 121 G CA 0.139 45.201 45.100 -0.062 0.000 0.676 121 G HN 0.381 nan 8.290 nan 0.000 0.528 122 E N -0.738 119.244 120.200 -0.363 0.000 2.175 122 E HA 0.603 4.953 4.350 0.000 0.000 0.278 122 E C -0.096 176.118 176.600 -0.642 0.000 0.969 122 E CA -0.694 55.457 56.400 -0.415 0.000 0.796 122 E CB 0.829 30.142 29.700 -0.645 0.000 1.104 122 E HN 0.175 nan 8.360 nan 0.000 0.395 123 F N 0.764 120.583 119.950 -0.218 0.000 2.688 123 F HA 0.199 4.726 4.527 0.000 0.000 0.310 123 F C 1.514 177.261 175.800 -0.090 0.000 1.098 123 F CA -0.252 57.707 58.000 -0.069 0.000 1.228 123 F CB 0.614 39.524 39.000 -0.151 0.000 1.042 123 F HN 0.063 nan 8.300 nan 0.000 0.557 124 R N -1.097 119.309 120.500 -0.156 0.000 2.397 124 R HA 0.208 4.548 4.340 0.000 0.000 0.241 124 R C 1.209 177.356 176.300 -0.255 0.000 0.914 124 R CA 0.090 56.060 56.100 -0.216 0.000 1.071 124 R CB -0.853 29.290 30.300 -0.262 0.000 1.116 124 R HN 0.437 nan 8.270 nan 0.000 0.524 125 H N -0.018 118.840 119.070 -0.352 0.000 2.265 125 H HA -0.140 4.416 4.556 0.000 0.000 0.295 125 H C 1.172 176.326 175.328 -0.291 0.000 1.084 125 H CA 1.966 57.787 56.048 -0.378 0.000 1.261 125 H CB -0.025 29.335 29.762 -0.669 0.000 1.360 125 H HN 0.063 nan 8.280 nan 0.000 0.487 126 F N -0.613 119.383 119.950 0.077 0.000 2.234 126 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 126 F C 2.383 178.141 175.800 -0.070 0.000 1.087 126 F CA 0.670 58.651 58.000 -0.031 0.000 1.340 126 F CB -1.204 37.707 39.000 -0.148 0.000 1.031 126 F HN 0.213 nan 8.300 nan 0.000 0.500 127 Y N 0.634 120.866 120.300 -0.114 0.000 2.145 127 Y HA -0.253 4.297 4.550 0.000 0.000 0.286 127 Y C 2.528 178.204 175.900 -0.373 0.000 1.145 127 Y CA 1.972 59.849 58.100 -0.372 0.000 1.148 127 Y CB -0.959 37.303 38.460 -0.331 0.000 0.981 127 Y HN 0.168 nan 8.280 nan 0.000 0.507 128 H N -1.151 117.849 119.070 -0.117 0.000 2.423 128 H HA -0.097 4.459 4.556 0.000 0.000 0.297 128 H C 2.098 177.308 175.328 -0.196 0.000 1.075 128 H CA 1.415 57.347 56.048 -0.194 0.000 1.342 128 H CB -0.134 29.613 29.762 -0.026 0.000 1.395 128 H HN 0.355 nan 8.280 nan 0.000 0.530 129 M N -0.504 119.092 119.600 -0.006 0.000 2.374 129 M HA -0.122 4.358 4.480 0.000 0.000 0.264 129 M C 2.054 178.291 176.300 -0.106 0.000 1.067 129 M CA 0.882 56.171 55.300 -0.019 0.000 1.103 129 M CB 0.222 32.860 32.600 0.063 0.000 1.402 129 M HN 0.071 nan 8.290 nan 0.000 0.444 130 S N -0.256 115.307 115.700 -0.227 0.000 2.575 130 S HA -0.029 4.441 4.470 0.000 0.000 0.215 130 S C 1.703 176.098 174.600 -0.342 0.000 0.966 130 S CA 0.163 58.193 58.200 -0.283 0.000 0.911 130 S CB -0.115 62.822 63.200 -0.438 0.000 0.780 130 S HN 0.337 nan 8.310 nan 0.000 0.514 131 E N 2.279 122.266 120.200 -0.356 0.000 2.110 131 E HA -0.067 4.283 4.350 0.000 0.000 0.193 131 E C -1.084 175.363 176.600 -0.255 0.000 0.988 131 E CA 1.373 57.587 56.400 -0.310 0.000 0.804 131 E CB -0.966 28.581 29.700 -0.254 0.000 0.745 131 E HN 0.416 nan 8.360 nan 0.000 0.458 132 P HA -0.035 nan 4.420 nan 0.000 0.223 132 P C 1.216 178.149 177.300 -0.612 0.000 1.151 132 P CA 1.030 63.938 63.100 -0.320 0.000 0.787 132 P CB -0.209 31.355 31.700 -0.227 0.000 0.788 133 I N -4.271 115.974 120.570 -0.541 0.000 3.914 133 I HA 0.292 4.462 4.170 0.000 0.000 0.333 133 I C -0.277 175.622 176.117 -0.363 0.000 1.449 133 I CA -0.329 60.540 61.300 -0.717 0.000 1.135 133 I CB -0.340 37.434 38.000 -0.375 0.000 1.073 133 I HN -0.185 nan 8.210 nan 0.000 0.401 134 T N -1.752 112.672 114.554 -0.217 0.000 2.896 134 T HA 0.473 4.823 4.350 0.000 0.000 0.297 134 T C 0.630 175.430 174.700 0.167 0.000 1.108 134 T CA -0.168 61.984 62.100 0.087 0.000 1.004 134 T CB 2.128 71.025 68.868 0.048 0.000 1.159 134 T HN 0.000 nan 8.240 nan 0.000 0.499 135 V N -2.109 117.930 119.914 0.208 0.000 3.590 135 V HA 0.746 4.866 4.120 0.000 0.000 0.265 135 V C 0.658 176.821 176.094 0.114 0.000 1.239 135 V CA 0.411 62.815 62.300 0.173 0.000 1.117 135 V CB -0.839 31.064 31.823 0.133 0.000 0.818 135 V HN 1.317 nan 8.190 nan 0.000 0.451 136 A N 0.845 123.732 122.820 0.112 0.000 2.566 136 A HA 0.777 5.097 4.320 0.000 0.000 0.297 136 A C -0.985 176.677 177.584 0.130 0.000 1.059 136 A CA -0.434 51.669 52.037 0.111 0.000 0.691 136 A CB 1.606 20.683 19.000 0.128 0.000 1.282 136 A HN 0.625 nan 8.150 nan 0.000 0.401 137 Q N 0.331 120.211 119.800 0.133 0.000 2.534 137 Q HA 0.879 5.219 4.340 0.000 0.000 0.290 137 Q C -0.870 175.309 176.000 0.298 0.000 0.991 137 Q CA -0.782 55.152 55.803 0.217 0.000 0.783 137 Q CB 2.132 30.882 28.738 0.021 0.000 1.470 137 Q HN 2.229 nan 8.270 nan 0.000 0.406 138 A N 0.579 123.652 122.820 0.422 0.000 2.594 138 A HA 0.557 4.877 4.320 0.000 0.000 0.296 138 A C -1.483 176.198 177.584 0.161 0.000 1.061 138 A CA -0.646 51.555 52.037 0.273 0.000 0.689 138 A CB 1.953 21.029 19.000 0.127 0.000 1.280 138 A HN 0.449 nan 8.150 nan 0.000 0.406 139 V N 3.216 123.079 119.914 -0.085 0.000 2.320 139 V HA 0.260 4.380 4.120 0.000 0.000 0.265 139 V C -0.245 175.761 176.094 -0.148 0.000 1.048 139 V CA -0.464 61.714 62.300 -0.204 0.000 0.865 139 V CB 0.529 32.103 31.823 -0.416 0.000 1.043 139 V HN 0.690 nan 8.190 nan 0.000 0.474 140 L N 5.951 127.099 121.223 -0.125 0.000 2.455 140 L HA 0.358 4.698 4.340 0.000 0.000 0.272 140 L C 0.830 177.605 176.870 -0.157 0.000 1.174 140 L CA 0.953 55.707 54.840 -0.144 0.000 0.869 140 L CB 0.789 42.767 42.059 -0.136 0.000 1.130 140 L HN 0.915 nan 8.230 nan 0.000 0.474 141 T N -1.295 113.161 114.554 -0.163 0.000 2.907 141 T HA 0.332 4.682 4.350 0.000 0.000 0.290 141 T C 0.746 175.365 174.700 -0.136 0.000 1.066 141 T CA -0.657 61.358 62.100 -0.143 0.000 1.012 141 T CB 1.192 69.986 68.868 -0.123 0.000 1.184 141 T HN 0.636 nan 8.240 nan 0.000 0.522 142 E N -0.086 120.048 120.200 -0.109 0.000 2.209 142 E HA -0.211 4.139 4.350 0.000 0.000 0.196 142 E C 1.518 178.070 176.600 -0.080 0.000 0.993 142 E CA 1.303 57.648 56.400 -0.091 0.000 0.819 142 E CB -0.011 29.646 29.700 -0.071 0.000 0.745 142 E HN 0.678 nan 8.360 nan 0.000 0.477 143 Q N -0.515 119.243 119.800 -0.071 0.000 2.408 143 Q HA 0.053 4.393 4.340 0.000 0.000 0.205 143 Q C 1.088 177.068 176.000 -0.033 0.000 0.919 143 Q CA 1.045 56.832 55.803 -0.028 0.000 0.932 143 Q CB 0.385 29.125 28.738 0.003 0.000 1.058 143 Q HN 0.505 nan 8.270 nan 0.000 0.517 144 N N -1.909 116.671 118.700 -0.200 0.000 2.193 144 N HA 0.252 4.992 4.740 0.000 0.000 0.210 144 N C 1.448 176.531 175.510 -0.712 0.000 1.215 144 N CA 0.499 53.189 53.050 -0.600 0.000 0.901 144 N CB 0.174 38.358 38.487 -0.504 0.000 1.060 144 N HN 0.056 nan 8.380 nan 0.000 0.508 145 A N 1.833 124.426 122.820 -0.378 0.000 1.906 145 A HA -0.369 3.951 4.320 0.000 0.000 0.236 145 A C 2.424 179.795 177.584 -0.355 0.000 1.793 145 A CA 2.479 54.330 52.037 -0.309 0.000 0.813 145 A CB -1.598 17.258 19.000 -0.240 0.000 0.841 145 A HN 0.601 nan 8.150 nan 0.000 0.491 146 C N -1.735 117.315 119.300 -0.417 0.000 2.413 146 C HA -0.110 4.350 4.460 0.000 0.000 0.276 146 C C 2.721 177.618 174.990 -0.155 0.000 1.236 146 C CA 1.147 59.855 59.018 -0.517 0.000 1.735 146 C CB -2.061 25.273 27.740 -0.677 0.000 2.031 146 C HN 0.855 nan 8.230 nan 0.000 0.474 147 Y N 1.165 121.424 120.300 -0.068 0.000 2.457 147 Y HA 0.098 4.648 4.550 0.000 0.000 0.292 147 Y C 2.094 178.018 175.900 0.039 0.000 1.125 147 Y CA 0.972 59.079 58.100 0.012 0.000 1.254 147 Y CB -0.898 37.566 38.460 0.006 0.000 1.012 147 Y HN 0.170 nan 8.280 nan 0.000 0.555 148 E N 1.260 121.274 120.200 -0.311 0.000 2.072 148 E HA -0.076 4.274 4.350 0.000 0.000 0.190 148 E C 2.246 178.854 176.600 0.013 0.000 0.982 148 E CA 1.038 57.365 56.400 -0.122 0.000 0.803 148 E CB -0.253 29.302 29.700 -0.240 0.000 0.755 148 E HN 0.624 nan 8.360 nan 0.000 0.453 149 I N 1.674 122.245 120.570 0.001 0.000 2.208 149 I HA -0.283 3.888 4.170 0.000 0.000 0.245 149 I C 1.765 177.982 176.117 0.166 0.000 1.097 149 I CA 1.266 62.628 61.300 0.103 0.000 1.363 149 I CB -0.218 37.880 38.000 0.164 0.000 1.051 149 I HN -0.020 nan 8.210 nan 0.000 0.413 150 D N 0.200 120.716 120.400 0.193 0.000 2.178 150 D HA -0.165 4.476 4.640 0.000 0.000 0.202 150 D C 2.157 178.554 176.300 0.163 0.000 0.974 150 D CA 0.871 54.987 54.000 0.193 0.000 0.841 150 D CB -0.259 40.670 40.800 0.216 0.000 0.953 150 D HN 0.293 nan 8.370 nan 0.000 0.478 151 R N 1.029 121.627 120.500 0.163 0.000 2.062 151 R HA -0.126 4.214 4.340 0.000 0.000 0.231 151 R C 2.377 178.765 176.300 0.146 0.000 1.136 151 R CA 1.720 57.911 56.100 0.153 0.000 0.948 151 R CB -0.277 30.122 30.300 0.165 0.000 0.845 151 R HN 0.181 nan 8.270 nan 0.000 0.430 152 V N -0.442 119.561 119.914 0.148 0.000 2.295 152 V HA -0.187 3.933 4.120 0.000 0.000 0.246 152 V C 2.250 178.452 176.094 0.180 0.000 1.049 152 V CA 1.681 64.076 62.300 0.159 0.000 1.024 152 V CB -0.751 31.171 31.823 0.165 0.000 0.648 152 V HN 0.299 nan 8.190 nan 0.000 0.447 153 L N 0.435 121.773 121.223 0.191 0.000 2.042 153 L HA -0.166 4.174 4.340 0.000 0.000 0.210 153 L C 2.895 179.882 176.870 0.194 0.000 1.076 153 L CA 2.405 57.377 54.840 0.221 0.000 0.749 153 L CB -1.115 41.047 42.059 0.171 0.000 0.893 153 L HN 0.398 nan 8.230 nan 0.000 0.432 154 T N -1.401 113.248 114.554 0.159 0.000 2.746 154 T HA -0.176 4.174 4.350 0.000 0.000 0.267 154 T C 1.876 176.663 174.700 0.145 0.000 1.039 154 T CA 1.887 64.075 62.100 0.147 0.000 1.142 154 T CB -0.232 68.712 68.868 0.127 0.000 0.866 154 T HN 0.347 nan 8.240 nan 0.000 0.444 155 T N 2.190 116.828 114.554 0.140 0.000 2.788 155 T HA 0.012 4.362 4.350 0.000 0.000 0.268 155 T C 2.060 176.841 174.700 0.136 0.000 1.044 155 T CA 0.988 63.164 62.100 0.127 0.000 1.139 155 T CB -0.316 68.624 68.868 0.119 0.000 0.867 155 T HN 0.300 nan 8.240 nan 0.000 0.454 156 M N 0.329 120.027 119.600 0.163 0.000 2.065 156 M HA -0.093 4.387 4.480 0.000 0.000 0.259 156 M C 2.050 178.445 176.300 0.158 0.000 1.069 156 M CA 1.492 56.895 55.300 0.171 0.000 1.110 156 M CB -0.497 32.257 32.600 0.255 0.000 1.328 156 M HN 0.182 nan 8.290 nan 0.000 0.405 157 L N -0.189 121.142 121.223 0.180 0.000 2.131 157 L HA -0.161 4.179 4.340 0.000 0.000 0.210 157 L C 2.451 179.362 176.870 0.068 0.000 1.092 157 L CA 1.694 56.603 54.840 0.115 0.000 0.759 157 L CB -1.150 40.978 42.059 0.115 0.000 0.903 157 L HN 0.299 nan 8.230 nan 0.000 0.435 158 R N -0.359 120.209 120.500 0.114 0.000 2.057 158 R HA -0.099 4.241 4.340 0.000 0.000 0.229 158 R C 1.703 178.118 176.300 0.191 0.000 1.136 158 R CA 1.126 57.315 56.100 0.147 0.000 0.952 158 R CB 0.156 30.541 30.300 0.143 0.000 0.848 158 R HN 0.247 nan 8.270 nan 0.000 0.430 159 E N 0.439 120.738 120.200 0.164 0.000 2.442 159 E HA 0.016 4.366 4.350 0.000 0.000 0.195 159 E C -0.009 176.659 176.600 0.113 0.000 1.030 159 E CA 0.057 56.571 56.400 0.191 0.000 0.869 159 E CB 0.268 30.049 29.700 0.135 0.000 0.857 159 E HN 0.172 nan 8.360 nan 0.000 0.505 160 R N 0.533 121.046 120.500 0.022 0.000 3.332 160 R HA -0.167 4.173 4.340 0.000 0.000 0.263 160 R C -0.164 176.125 176.300 -0.017 0.000 1.053 160 R CA 0.514 56.594 56.100 -0.032 0.000 0.705 160 R CB -2.133 28.069 30.300 -0.164 0.000 1.166 160 R HN 0.239 nan 8.270 nan 0.000 0.427 161 R N -0.877 119.603 120.500 -0.034 0.000 2.831 161 R HA 0.498 4.838 4.340 0.000 0.000 0.266 161 R C -2.514 173.780 176.300 -0.011 0.000 1.051 161 R CA -2.172 53.869 56.100 -0.098 0.000 0.943 161 R CB 1.873 32.031 30.300 -0.236 0.000 1.228 161 R HN -0.164 nan 8.270 nan 0.000 0.467 162 P HA 0.121 nan 4.420 nan 0.000 0.269 162 P C -0.775 176.596 177.300 0.118 0.000 1.215 162 P CA -0.053 63.084 63.100 0.061 0.000 0.780 162 P CB 0.687 32.441 31.700 0.089 0.000 0.898 163 G N 0.529 109.407 108.800 0.129 0.000 2.574 163 G HA2 0.578 4.538 3.960 0.000 0.000 0.299 163 G HA3 0.578 4.538 3.960 0.000 0.000 0.299 163 G C -2.341 172.702 174.900 0.239 0.000 1.298 163 G CA -0.331 44.876 45.100 0.178 0.000 0.952 163 G HN 0.380 nan 8.290 nan 0.000 0.477 164 Y N 0.532 120.886 120.300 0.090 0.000 2.406 164 Y HA 0.706 5.256 4.550 0.000 0.000 0.340 164 Y C -1.284 174.669 175.900 0.089 0.000 0.975 164 Y CA -1.210 56.934 58.100 0.074 0.000 1.056 164 Y CB 1.863 40.337 38.460 0.022 0.000 1.210 164 Y HN 0.422 nan 8.280 nan 0.000 0.448 165 L N 7.675 128.828 121.223 -0.116 0.000 2.404 165 L HA 0.489 4.829 4.340 0.000 0.000 0.272 165 L C -0.719 176.027 176.870 -0.206 0.000 0.980 165 L CA -0.791 54.029 54.840 -0.034 0.000 0.836 165 L CB 2.006 44.044 42.059 -0.035 0.000 1.238 165 L HN 0.707 nan 8.230 nan 0.000 0.408 166 M N 4.726 124.326 119.600 0.001 0.000 2.084 166 M HA 0.338 4.818 4.480 0.000 0.000 0.351 166 M C -1.367 174.869 176.300 -0.108 0.000 1.240 166 M CA -0.675 54.608 55.300 -0.029 0.000 1.083 166 M CB 1.006 33.674 32.600 0.113 0.000 1.593 166 M HN 0.440 nan 8.290 nan 0.000 0.463 167 L N 9.459 130.586 121.223 -0.160 0.000 2.313 167 L HA 0.588 4.928 4.340 0.000 0.000 0.273 167 L C -2.500 174.265 176.870 -0.175 0.000 1.028 167 L CA -1.900 52.824 54.840 -0.194 0.000 0.871 167 L CB 0.934 42.810 42.059 -0.305 0.000 1.242 167 L HN 0.456 nan 8.230 nan 0.000 0.434 168 P HA 0.127 nan 4.420 nan 0.000 0.267 168 P C 0.375 177.594 177.300 -0.135 0.000 1.205 168 P CA 0.114 63.099 63.100 -0.192 0.000 0.765 168 P CB 1.061 32.635 31.700 -0.210 0.000 0.828 169 A N 4.599 127.360 122.820 -0.099 0.000 1.927 169 A HA -0.266 4.054 4.320 0.000 0.000 0.220 169 A C 1.831 179.398 177.584 -0.028 0.000 1.185 169 A CA 2.313 54.337 52.037 -0.022 0.000 0.639 169 A CB -1.251 17.775 19.000 0.043 0.000 0.820 169 A HN 0.667 nan 8.150 nan 0.000 0.451 170 D N -0.187 120.178 120.400 -0.059 0.000 2.144 170 D HA -0.097 4.543 4.640 0.000 0.000 0.200 170 D C 1.805 178.068 176.300 -0.061 0.000 0.978 170 D CA 1.527 55.495 54.000 -0.053 0.000 0.833 170 D CB -0.918 39.841 40.800 -0.069 0.000 0.961 170 D HN 0.268 nan 8.370 nan 0.000 0.470 171 V N 1.616 121.478 119.914 -0.087 0.000 2.490 171 V HA -0.182 3.938 4.120 0.000 0.000 0.250 171 V C 2.934 178.979 176.094 -0.083 0.000 1.061 171 V CA 1.607 63.851 62.300 -0.094 0.000 1.064 171 V CB -0.879 30.871 31.823 -0.121 0.000 0.670 171 V HN 0.364 nan 8.190 nan 0.000 0.461 172 A N -0.151 122.627 122.820 -0.071 0.000 1.978 172 A HA -0.236 4.084 4.320 0.000 0.000 0.220 172 A C 2.242 179.790 177.584 -0.061 0.000 1.170 172 A CA 1.832 53.840 52.037 -0.049 0.000 0.636 172 A CB -0.374 18.636 19.000 0.017 0.000 0.810 172 A HN 0.573 nan 8.150 nan 0.000 0.448 173 K N -0.571 119.809 120.400 -0.034 0.000 2.365 173 K HA 0.027 4.347 4.320 0.000 0.000 0.197 173 K C 0.146 176.727 176.600 -0.032 0.000 1.042 173 K CA 0.136 56.410 56.287 -0.021 0.000 0.987 173 K CB 0.044 32.552 32.500 0.012 0.000 0.779 173 K HN 0.138 nan 8.250 nan 0.000 0.484 174 K N 1.665 122.038 120.400 -0.045 0.000 2.485 174 K HA 0.056 4.376 4.320 0.000 0.000 0.277 174 K C -0.317 176.267 176.600 -0.027 0.000 0.990 174 K CA 0.000 56.265 56.287 -0.037 0.000 0.994 174 K CB 0.491 32.960 32.500 -0.053 0.000 0.906 174 K HN 0.126 nan 8.250 nan 0.000 0.488 175 A N 1.790 124.610 122.820 -0.000 0.000 2.498 175 A HA 0.503 4.823 4.320 0.000 0.000 0.239 175 A C -0.200 177.415 177.584 0.052 0.000 1.068 175 A CA 0.526 52.585 52.037 0.037 0.000 0.766 175 A CB 0.012 19.037 19.000 0.043 0.000 1.003 175 A HN 0.704 nan 8.150 nan 0.000 0.497 176 A N 0.948 123.854 122.820 0.144 0.000 2.609 176 A HA 0.817 5.137 4.320 0.000 0.000 0.291 176 A C -0.217 177.582 177.584 0.358 0.000 1.096 176 A CA 0.178 52.336 52.037 0.201 0.000 0.684 176 A CB 1.101 20.214 19.000 0.188 0.000 1.282 176 A HN 1.888 nan 8.150 nan 0.000 0.412 177 T N 0.534 115.239 114.554 0.252 0.000 2.829 177 T HA 0.718 5.068 4.350 0.000 0.000 0.280 177 T C -2.940 171.759 174.700 -0.001 0.000 0.999 177 T CA -1.913 60.222 62.100 0.058 0.000 0.983 177 T CB 1.184 70.065 68.868 0.022 0.000 0.968 177 T HN 0.314 nan 8.240 nan 0.000 0.446 178 P HA 0.238 nan 4.420 nan 0.000 0.264 178 P C -2.474 174.767 177.300 -0.097 0.000 1.183 178 P CA -0.712 62.112 63.100 -0.460 0.000 0.763 178 P CB -0.336 30.969 31.700 -0.658 0.000 0.807 179 P HA 0.021 nan 4.420 nan 0.000 0.271 179 P C 0.648 177.924 177.300 -0.040 0.000 1.216 179 P CA -0.039 63.055 63.100 -0.010 0.000 0.776 179 P CB 0.551 32.187 31.700 -0.107 0.000 0.881 180 V N 1.974 121.879 119.914 -0.015 0.000 2.649 180 V HA -0.050 4.070 4.120 0.000 0.000 0.248 180 V C 0.650 176.727 176.094 -0.028 0.000 1.054 180 V CA 1.393 63.678 62.300 -0.024 0.000 1.073 180 V CB -0.853 30.962 31.823 -0.012 0.000 0.699 180 V HN 0.585 nan 8.190 nan 0.000 0.463 181 N N -0.467 118.219 118.700 -0.023 0.000 2.269 181 N HA 0.640 5.380 4.740 0.000 0.000 0.304 181 N C -0.460 175.021 175.510 -0.049 0.000 1.072 181 N CA -0.279 52.752 53.050 -0.032 0.000 0.802 181 N CB 1.949 40.422 38.487 -0.022 0.000 1.348 181 N HN 0.270 nan 8.380 nan 0.000 0.484 182 A N 1.428 124.210 122.820 -0.064 0.000 2.445 182 A HA 0.173 4.493 4.320 0.000 0.000 0.242 182 A C -0.010 177.517 177.584 -0.096 0.000 1.075 182 A CA -0.287 51.699 52.037 -0.085 0.000 0.777 182 A CB 0.123 19.069 19.000 -0.089 0.000 1.013 182 A HN 0.618 nan 8.150 nan 0.000 0.493 183 L N 2.535 123.700 121.223 -0.097 0.000 2.584 183 L HA 0.179 4.519 4.340 0.000 0.000 0.272 183 L C 1.235 177.997 176.870 -0.180 0.000 1.195 183 L CA 1.164 55.956 54.840 -0.080 0.000 0.920 183 L CB -0.017 42.017 42.059 -0.042 0.000 1.173 183 L HN 0.847 nan 8.230 nan 0.000 0.489 184 T N 1.074 115.538 114.554 -0.151 0.000 2.909 184 T HA 0.319 4.669 4.350 0.000 0.000 0.289 184 T C 1.051 175.648 174.700 -0.171 0.000 1.005 184 T CA -0.436 61.516 62.100 -0.247 0.000 1.084 184 T CB 0.906 69.709 68.868 -0.109 0.000 0.975 184 T HN 0.574 nan 8.240 nan 0.000 0.509 185 H N 1.291 120.378 119.070 0.027 0.000 2.316 185 H HA 0.270 4.826 4.556 0.000 0.000 0.314 185 H C 0.955 176.315 175.328 0.053 0.000 1.057 185 H CA 0.450 56.522 56.048 0.039 0.000 1.402 185 H CB -0.552 29.230 29.762 0.034 0.000 1.443 185 H HN 0.777 nan 8.280 nan 0.000 0.559 186 K N 2.343 122.845 120.400 0.170 0.000 4.789 186 K HA -0.219 4.101 4.320 0.000 0.000 0.290 186 K C -0.781 175.902 176.600 0.138 0.000 0.798 186 K CA 0.136 56.500 56.287 0.129 0.000 0.860 186 K CB -0.720 31.828 32.500 0.081 0.000 1.852 186 K HN 0.483 nan 8.250 nan 0.000 0.413 187 Q N 1.274 121.159 119.800 0.142 0.000 2.314 187 Q HA 0.302 4.642 4.340 0.000 0.000 0.258 187 Q C 0.425 176.511 176.000 0.144 0.000 0.954 187 Q CA -0.004 55.876 55.803 0.129 0.000 0.890 187 Q CB 1.149 29.956 28.738 0.115 0.000 1.210 187 Q HN 0.578 nan 8.270 nan 0.000 0.410 188 A N 2.602 125.507 122.820 0.142 0.000 2.466 188 A HA 0.105 4.425 4.320 0.000 0.000 0.238 188 A C -0.625 177.081 177.584 0.203 0.000 1.074 188 A CA -0.202 51.945 52.037 0.183 0.000 0.774 188 A CB 0.144 19.215 19.000 0.117 0.000 1.015 188 A HN 0.682 nan 8.150 nan 0.000 0.498 189 H N -0.221 118.875 119.070 0.044 0.000 2.546 189 H HA 0.548 5.104 4.556 0.000 0.000 0.365 189 H C 0.836 176.189 175.328 0.042 0.000 1.220 189 H CA 0.489 56.561 56.048 0.041 0.000 1.386 189 H CB 0.916 30.698 29.762 0.033 0.000 1.510 189 H HN 0.884 nan 8.280 nan 0.000 0.591 190 A N 0.696 123.603 122.820 0.145 0.000 2.304 190 A HA 0.196 4.516 4.320 0.000 0.000 0.271 190 A C -0.153 177.496 177.584 0.107 0.000 1.091 190 A CA -0.493 51.605 52.037 0.102 0.000 0.812 190 A CB -0.057 18.983 19.000 0.068 0.000 1.056 190 A HN 0.850 nan 8.150 nan 0.000 0.489 191 D N 0.722 121.176 120.400 0.089 0.000 2.401 191 D HA 0.184 4.824 4.640 0.000 0.000 0.254 191 D C 1.572 177.919 176.300 0.079 0.000 1.192 191 D CA 0.833 54.880 54.000 0.078 0.000 0.885 191 D CB 0.722 41.567 40.800 0.074 0.000 1.147 191 D HN 0.511 nan 8.370 nan 0.000 0.478 192 S N 3.461 119.203 115.700 0.068 0.000 2.372 192 S HA -0.337 4.133 4.470 0.000 0.000 0.227 192 S C 2.111 176.748 174.600 0.061 0.000 1.044 192 S CA 1.062 59.299 58.200 0.061 0.000 1.050 192 S CB -0.719 62.509 63.200 0.046 0.000 0.901 192 S HN 0.590 nan 8.310 nan 0.000 0.447 193 A N 0.588 123.446 122.820 0.062 0.000 1.902 193 A HA -0.114 4.206 4.320 0.000 0.000 0.217 193 A C 2.621 180.261 177.584 0.094 0.000 1.181 193 A CA 1.546 53.623 52.037 0.068 0.000 0.623 193 A CB -1.591 17.449 19.000 0.066 0.000 0.818 193 A HN 0.755 nan 8.150 nan 0.000 0.443 194 C N -1.166 118.201 119.300 0.112 0.000 2.446 194 C HA -0.003 4.457 4.460 0.000 0.000 0.277 194 C C 2.477 177.553 174.990 0.143 0.000 1.275 194 C CA 1.166 60.282 59.018 0.163 0.000 1.727 194 C CB -1.352 26.486 27.740 0.164 0.000 2.010 194 C HN 0.597 nan 8.230 nan 0.000 0.486 195 L N 1.311 122.598 121.223 0.107 0.000 2.131 195 L HA -0.059 4.281 4.340 0.000 0.000 0.210 195 L C 2.478 179.390 176.870 0.069 0.000 1.092 195 L CA 1.919 56.825 54.840 0.109 0.000 0.759 195 L CB -0.965 41.148 42.059 0.090 0.000 0.903 195 L HN 0.236 nan 8.230 nan 0.000 0.435 196 K N -0.202 120.222 120.400 0.040 0.000 2.025 196 K HA -0.060 4.260 4.320 0.000 0.000 0.207 196 K C 2.043 178.616 176.600 -0.044 0.000 1.049 196 K CA 1.384 57.670 56.287 -0.002 0.000 0.933 196 K CB -0.438 32.072 32.500 0.017 0.000 0.714 196 K HN 0.428 nan 8.250 nan 0.000 0.438 197 A N 0.718 123.539 122.820 0.002 0.000 1.908 197 A HA -0.201 4.119 4.320 0.000 0.000 0.218 197 A C 2.097 179.467 177.584 -0.355 0.000 1.181 197 A CA 1.603 53.638 52.037 -0.003 0.000 0.627 197 A CB -0.782 18.361 19.000 0.237 0.000 0.818 197 A HN 0.428 nan 8.150 nan 0.000 0.445 198 F N 0.498 120.002 119.950 -0.743 0.000 2.113 198 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 198 F C 2.280 177.758 175.800 -0.538 0.000 1.103 198 F CA 1.799 59.115 58.000 -1.140 0.000 1.248 198 F CB -0.459 38.102 39.000 -0.730 0.000 0.999 198 F HN 0.204 nan 8.300 nan 0.000 0.475 199 R N 0.421 120.614 120.500 -0.511 0.000 2.083 199 R HA -0.180 4.160 4.340 0.000 0.000 0.237 199 R C 1.938 178.006 176.300 -0.386 0.000 1.137 199 R CA 2.176 57.980 56.100 -0.493 0.000 0.951 199 R CB -0.665 29.500 30.300 -0.224 0.000 0.851 199 R HN 0.278 nan 8.270 nan 0.000 0.434 200 D N 0.210 120.457 120.400 -0.255 0.000 2.123 200 D HA -0.152 4.488 4.640 0.000 0.000 0.196 200 D C 1.735 177.932 176.300 -0.173 0.000 0.992 200 D CA 1.547 55.450 54.000 -0.162 0.000 0.833 200 D CB -0.301 40.449 40.800 -0.082 0.000 0.954 200 D HN 0.398 nan 8.370 nan 0.000 0.455 201 A N 1.123 123.813 122.820 -0.218 0.000 1.898 201 A HA -0.011 4.309 4.320 0.000 0.000 0.216 201 A C 2.337 179.799 177.584 -0.202 0.000 1.181 201 A CA 2.162 54.118 52.037 -0.135 0.000 0.620 201 A CB -0.681 18.305 19.000 -0.023 0.000 0.819 201 A HN 0.238 nan 8.150 nan 0.000 0.442 202 A N -0.282 122.298 122.820 -0.401 0.000 1.877 202 A HA -0.182 4.138 4.320 0.000 0.000 0.216 202 A C 2.017 179.442 177.584 -0.264 0.000 1.186 202 A CA 1.882 53.686 52.037 -0.388 0.000 0.620 202 A CB -0.601 17.978 19.000 -0.702 0.000 0.822 202 A HN 0.671 nan 8.150 nan 0.000 0.443 203 E N -0.021 120.027 120.200 -0.253 0.000 2.038 203 E HA -0.273 4.077 4.350 0.000 0.000 0.195 203 E C 1.837 178.326 176.600 -0.185 0.000 1.000 203 E CA 1.669 57.957 56.400 -0.187 0.000 0.803 203 E CB -0.209 29.427 29.700 -0.107 0.000 0.750 203 E HN 0.573 nan 8.360 nan 0.000 0.448 204 N N 0.441 119.065 118.700 -0.127 0.000 2.137 204 N HA -0.213 4.527 4.740 0.000 0.000 0.190 204 N C 1.570 177.019 175.510 -0.102 0.000 1.017 204 N CA 1.612 54.608 53.050 -0.090 0.000 0.859 204 N CB -0.253 38.202 38.487 -0.054 0.000 1.002 204 N HN 0.083 nan 8.380 nan 0.000 0.428 205 K N 0.441 120.775 120.400 -0.111 0.000 2.031 205 K HA 0.056 4.376 4.320 0.000 0.000 0.205 205 K C 1.479 178.008 176.600 -0.118 0.000 1.049 205 K CA 0.912 57.144 56.287 -0.090 0.000 0.939 205 K CB -0.453 32.004 32.500 -0.072 0.000 0.717 205 K HN -0.017 nan 8.250 nan 0.000 0.438 206 L N 0.832 121.945 121.223 -0.184 0.000 2.217 206 L HA 0.111 4.451 4.340 0.000 0.000 0.211 206 L C 2.252 178.892 176.870 -0.383 0.000 1.107 206 L CA 1.677 56.380 54.840 -0.230 0.000 0.783 206 L CB -1.026 40.883 42.059 -0.250 0.000 0.919 206 L HN 0.301 nan 8.230 nan 0.000 0.442 207 A N -0.621 121.904 122.820 -0.493 0.000 2.019 207 A HA -0.148 4.172 4.320 0.000 0.000 0.219 207 A C 2.009 179.551 177.584 -0.071 0.000 1.164 207 A CA 1.652 53.441 52.037 -0.413 0.000 0.644 207 A CB -0.436 18.462 19.000 -0.169 0.000 0.805 207 A HN 0.468 nan 8.150 nan 0.000 0.449 208 M N -0.837 118.725 119.600 -0.063 0.000 2.356 208 M HA 0.186 4.666 4.480 0.000 0.000 0.262 208 M C 0.663 176.956 176.300 -0.012 0.000 1.097 208 M CA -0.017 55.274 55.300 -0.015 0.000 0.991 208 M CB 0.249 32.835 32.600 -0.023 0.000 1.450 208 M HN 0.197 nan 8.290 nan 0.000 0.495 209 S N 1.501 117.203 115.700 0.003 0.000 2.505 209 S HA 0.179 4.649 4.470 0.000 0.000 0.276 209 S C 1.222 175.815 174.600 -0.012 0.000 1.274 209 S CA -0.406 57.802 58.200 0.012 0.000 1.053 209 S CB 0.768 63.987 63.200 0.033 0.000 0.919 209 S HN 0.186 nan 8.310 nan 0.000 0.490 210 K N 3.599 123.941 120.400 -0.096 0.000 2.007 210 K HA 0.063 4.383 4.320 0.000 0.000 0.206 210 K C 0.991 177.459 176.600 -0.220 0.000 1.047 210 K CA 1.090 57.241 56.287 -0.227 0.000 0.937 210 K CB -0.143 32.272 32.500 -0.142 0.000 0.718 210 K HN 0.633 nan 8.250 nan 0.000 0.438 211 R N 0.105 120.572 120.500 -0.055 0.000 2.673 211 R HA 0.272 4.612 4.340 0.000 0.000 0.281 211 R C -1.287 175.039 176.300 0.044 0.000 0.991 211 R CA -0.181 55.932 56.100 0.022 0.000 0.896 211 R CB 2.008 32.298 30.300 -0.017 0.000 1.201 211 R HN -0.123 nan 8.270 nan 0.000 0.457 212 T N 1.594 116.192 114.554 0.073 0.000 2.863 212 T HA 0.736 5.086 4.350 0.000 0.000 0.285 212 T C -1.209 173.494 174.700 0.004 0.000 1.009 212 T CA -0.543 61.582 62.100 0.041 0.000 0.989 212 T CB 1.726 70.636 68.868 0.070 0.000 1.004 212 T HN 0.664 nan 8.240 nan 0.000 0.455 213 A N 2.545 125.349 122.820 -0.027 0.000 2.413 213 A HA 0.871 5.191 4.320 0.000 0.000 0.307 213 A C -1.324 176.211 177.584 -0.083 0.000 1.087 213 A CA -0.729 51.272 52.037 -0.060 0.000 0.750 213 A CB 1.263 20.214 19.000 -0.082 0.000 1.296 213 A HN 0.818 nan 8.150 nan 0.000 0.423 214 L N 2.083 123.237 121.223 -0.115 0.000 2.313 214 L HA 0.651 4.992 4.340 0.000 0.000 0.283 214 L C -1.709 175.142 176.870 -0.031 0.000 1.013 214 L CA -0.927 53.828 54.840 -0.142 0.000 0.816 214 L CB 1.437 43.290 42.059 -0.344 0.000 1.236 214 L HN 0.703 nan 8.230 nan 0.000 0.419 215 L N 5.466 126.692 121.223 0.005 0.000 2.342 215 L HA 0.770 5.110 4.340 0.000 0.000 0.276 215 L C -0.671 176.258 176.870 0.097 0.000 0.997 215 L CA -0.100 54.774 54.840 0.056 0.000 0.838 215 L CB 1.405 43.468 42.059 0.007 0.000 1.224 215 L HN 0.620 nan 8.230 nan 0.000 0.416 216 A N 3.526 126.443 122.820 0.161 0.000 2.374 216 A HA 0.825 5.145 4.320 0.000 0.000 0.317 216 A C -1.234 176.390 177.584 0.066 0.000 1.094 216 A CA -0.467 51.623 52.037 0.090 0.000 0.765 216 A CB 1.419 20.460 19.000 0.070 0.000 1.268 216 A HN 0.690 nan 8.150 nan 0.000 0.438 217 D N -0.850 119.555 120.400 0.009 0.000 2.732 217 D HA 0.508 5.148 4.640 0.000 0.000 0.292 217 D C 1.137 177.458 176.300 0.035 0.000 1.135 217 D CA -0.063 53.980 54.000 0.071 0.000 1.071 217 D CB 0.525 41.408 40.800 0.139 0.000 1.457 217 D HN 0.447 nan 8.370 nan 0.000 0.547 218 F N 0.544 120.470 119.950 -0.041 0.000 2.135 218 F HA -0.237 4.290 4.527 0.000 0.000 0.300 218 F C 1.438 177.209 175.800 -0.049 0.000 1.074 218 F CA 1.436 59.416 58.000 -0.034 0.000 1.262 218 F CB -1.187 37.802 39.000 -0.019 0.000 1.013 218 F HN 0.256 nan 8.300 nan 0.000 0.489 219 L N 0.522 121.090 121.223 -1.090 0.000 2.127 219 L HA -0.167 4.173 4.340 0.000 0.000 0.211 219 L C 2.831 179.520 176.870 -0.301 0.000 1.089 219 L CA 1.350 55.691 54.840 -0.833 0.000 0.757 219 L CB -0.754 40.771 42.059 -0.890 0.000 0.899 219 L HN 0.440 nan 8.230 nan 0.000 0.434 220 V N -1.114 118.666 119.914 -0.223 0.000 2.548 220 V HA -0.196 3.924 4.120 0.000 0.000 0.249 220 V C 2.175 178.228 176.094 -0.068 0.000 1.055 220 V CA 1.269 63.501 62.300 -0.113 0.000 1.065 220 V CB -0.136 31.630 31.823 -0.096 0.000 0.681 220 V HN 0.331 nan 8.190 nan 0.000 0.462 221 L N -0.249 120.934 121.223 -0.067 0.000 2.027 221 L HA -0.061 4.279 4.340 0.000 0.000 0.206 221 L C 3.117 179.971 176.870 -0.027 0.000 1.074 221 L CA 1.663 56.483 54.840 -0.033 0.000 0.745 221 L CB -0.674 41.397 42.059 0.019 0.000 0.898 221 L HN 0.247 nan 8.230 nan 0.000 0.433 222 R N -0.402 120.084 120.500 -0.023 0.000 2.096 222 R HA -0.134 4.206 4.340 0.000 0.000 0.235 222 R C 1.370 177.578 176.300 -0.154 0.000 1.127 222 R CA 1.247 57.315 56.100 -0.052 0.000 0.968 222 R CB -0.878 29.399 30.300 -0.038 0.000 0.861 222 R HN 0.466 nan 8.270 nan 0.000 0.440 223 H N -0.647 118.353 119.070 -0.116 0.000 2.537 223 H HA 0.246 4.802 4.556 0.000 0.000 0.295 223 H C 0.617 175.893 175.328 -0.087 0.000 1.054 223 H CA 0.403 56.391 56.048 -0.100 0.000 1.156 223 H CB 0.013 29.699 29.762 -0.127 0.000 1.468 223 H HN 0.404 nan 8.280 nan 0.000 0.551 224 G N 1.119 109.901 108.800 -0.030 0.000 2.356 224 G HA2 -0.288 3.672 3.960 0.000 0.000 0.296 224 G HA3 -0.288 3.672 3.960 0.000 0.000 0.296 224 G C 0.370 175.238 174.900 -0.053 0.000 1.022 224 G CA 0.467 45.529 45.100 -0.064 0.000 0.961 224 G HN 0.509 nan 8.290 nan 0.000 0.510 225 L N -1.075 120.127 121.223 -0.035 0.000 3.066 225 L HA 0.316 4.656 4.340 0.000 0.000 0.265 225 L C 2.123 178.986 176.870 -0.013 0.000 1.232 225 L CA 0.077 54.911 54.840 -0.011 0.000 1.031 225 L CB 0.357 42.420 42.059 0.007 0.000 1.379 225 L HN 0.309 nan 8.230 nan 0.000 0.563 226 K N 0.358 120.718 120.400 -0.067 0.000 1.978 226 K HA -0.198 4.122 4.320 0.000 0.000 0.214 226 K C 1.803 178.445 176.600 0.070 0.000 1.049 226 K CA 1.831 58.082 56.287 -0.061 0.000 0.939 226 K CB -0.094 32.346 32.500 -0.101 0.000 0.721 226 K HN 0.436 nan 8.250 nan 0.000 0.441 227 H N -0.574 118.503 119.070 0.011 0.000 2.357 227 H HA -0.195 4.361 4.556 0.000 0.000 0.296 227 H C 2.068 177.435 175.328 0.066 0.000 1.108 227 H CA 0.836 56.906 56.048 0.036 0.000 1.273 227 H CB -0.074 29.705 29.762 0.029 0.000 1.367 227 H HN 0.441 nan 8.280 nan 0.000 0.498 228 A N 0.825 123.760 122.820 0.192 0.000 1.908 228 A HA -0.178 4.142 4.320 0.000 0.000 0.218 228 A C 2.284 180.015 177.584 0.245 0.000 1.181 228 A CA 1.528 53.661 52.037 0.160 0.000 0.627 228 A CB -0.588 18.475 19.000 0.105 0.000 0.818 228 A HN 0.199 nan 8.150 nan 0.000 0.445 229 L N -0.474 120.895 121.223 0.242 0.000 2.072 229 L HA -0.161 4.179 4.340 0.000 0.000 0.205 229 L C 2.772 179.873 176.870 0.386 0.000 1.079 229 L CA 1.817 56.863 54.840 0.344 0.000 0.752 229 L CB -0.604 41.533 42.059 0.129 0.000 0.906 229 L HN 0.453 nan 8.230 nan 0.000 0.436 230 Q N -0.590 119.377 119.800 0.279 0.000 2.050 230 Q HA -0.280 4.060 4.340 0.000 0.000 0.202 230 Q C 2.240 178.365 176.000 0.208 0.000 0.980 230 Q CA 1.698 57.672 55.803 0.286 0.000 0.840 230 Q CB -0.254 28.604 28.738 0.200 0.000 0.898 230 Q HN 0.394 nan 8.270 nan 0.000 0.424 231 K N 0.113 120.626 120.400 0.187 0.000 2.063 231 K HA -0.211 4.110 4.320 0.000 0.000 0.208 231 K C 1.885 178.615 176.600 0.216 0.000 1.048 231 K CA 1.278 57.654 56.287 0.147 0.000 0.928 231 K CB -0.200 32.368 32.500 0.113 0.000 0.713 231 K HN 0.263 nan 8.250 nan 0.000 0.442 232 W N 1.262 122.590 121.300 0.047 0.000 2.329 232 W HA -0.238 4.422 4.660 0.000 0.000 0.324 232 W C 1.868 178.378 176.519 -0.015 0.000 1.222 232 W CA 1.402 58.764 57.345 0.028 0.000 1.270 232 W CB -1.091 28.404 29.460 0.058 0.000 1.167 232 W HN -0.034 nan 8.180 nan 0.000 0.467 233 V N 1.879 121.832 119.914 0.065 0.000 2.568 233 V HA -0.271 3.850 4.120 0.000 0.000 0.253 233 V C 2.581 178.585 176.094 -0.149 0.000 1.072 233 V CA 2.694 64.821 62.300 -0.288 0.000 1.084 233 V CB -0.708 30.665 31.823 -0.750 0.000 0.676 233 V HN 0.271 nan 8.190 nan 0.000 0.469 234 K N -0.415 119.974 120.400 -0.018 0.000 2.031 234 K HA -0.161 4.159 4.320 0.000 0.000 0.205 234 K C 2.085 178.700 176.600 0.025 0.000 1.049 234 K CA 1.846 58.132 56.287 -0.001 0.000 0.939 234 K CB -0.148 32.368 32.500 0.027 0.000 0.717 234 K HN 0.617 nan 8.250 nan 0.000 0.438 235 E N -0.211 120.032 120.200 0.071 0.000 2.107 235 E HA -0.058 4.292 4.350 0.000 0.000 0.191 235 E C -0.174 176.473 176.600 0.079 0.000 0.982 235 E CA 0.670 57.113 56.400 0.072 0.000 0.809 235 E CB 0.500 30.251 29.700 0.085 0.000 0.756 235 E HN -0.001 nan 8.360 nan 0.000 0.459 236 V N 3.184 123.174 119.914 0.126 0.000 2.266 236 V HA 0.205 4.325 4.120 0.000 0.000 0.271 236 V C -2.484 173.623 176.094 0.023 0.000 1.032 236 V CA -1.728 60.638 62.300 0.112 0.000 0.806 236 V CB 0.811 32.781 31.823 0.244 0.000 1.052 236 V HN -0.010 nan 8.190 nan 0.000 0.449 237 P HA 0.320 nan 4.420 nan 0.000 0.267 237 P C -0.308 176.986 177.300 -0.010 0.000 1.209 237 P CA 0.296 63.380 63.100 -0.026 0.000 0.763 237 P CB 0.412 32.114 31.700 0.002 0.000 0.816 238 M N 0.668 120.253 119.600 -0.025 0.000 2.895 238 M HA 0.719 5.199 4.480 0.000 0.000 0.271 238 M C -1.517 174.847 176.300 0.106 0.000 1.174 238 M CA -1.385 53.926 55.300 0.019 0.000 0.816 238 M CB 1.560 34.141 32.600 -0.032 0.000 1.647 238 M HN 0.138 nan 8.290 nan 0.000 0.506 239 A N 1.902 124.787 122.820 0.108 0.000 2.488 239 A HA 0.586 4.906 4.320 0.000 0.000 0.249 239 A C -0.601 177.026 177.584 0.072 0.000 1.083 239 A CA 0.197 52.326 52.037 0.153 0.000 0.768 239 A CB -0.390 18.636 19.000 0.043 0.000 1.017 239 A HN 0.999 nan 8.150 nan 0.000 0.496 240 H N -0.485 118.489 119.070 -0.159 0.000 3.038 240 H HA 0.816 5.372 4.556 0.000 0.000 0.362 240 H C -0.887 174.276 175.328 -0.276 0.000 1.167 240 H CA -0.363 55.521 56.048 -0.273 0.000 1.197 240 H CB 1.050 30.500 29.762 -0.520 0.000 1.840 240 H HN 1.101 nan 8.280 nan 0.000 0.540 241 A N 1.555 124.307 122.820 -0.113 0.000 2.588 241 A HA 0.750 5.070 4.320 0.000 0.000 0.290 241 A C -0.562 177.191 177.584 0.282 0.000 1.136 241 A CA -0.199 51.795 52.037 -0.071 0.000 0.681 241 A CB 1.534 20.401 19.000 -0.222 0.000 1.282 241 A HN 1.221 nan 8.150 nan 0.000 0.421 242 T N -1.783 112.961 114.554 0.317 0.000 2.865 242 T HA 0.753 5.103 4.350 0.000 0.000 0.294 242 T C -0.029 174.816 174.700 0.241 0.000 1.119 242 T CA -0.623 61.649 62.100 0.285 0.000 1.007 242 T CB 1.092 70.123 68.868 0.272 0.000 1.225 242 T HN 0.642 nan 8.240 nan 0.000 0.515 243 M N 1.161 120.886 119.600 0.210 0.000 2.531 243 M HA 0.423 4.903 4.480 0.000 0.000 0.262 243 M C 1.680 178.061 176.300 0.134 0.000 1.168 243 M CA -1.031 54.381 55.300 0.188 0.000 0.926 243 M CB 0.867 33.578 32.600 0.186 0.000 1.445 243 M HN 0.627 nan 8.290 nan 0.000 0.531 244 L N 0.672 121.959 121.223 0.107 0.000 2.021 244 L HA -0.296 4.044 4.340 0.000 0.000 0.215 244 L C 2.316 179.264 176.870 0.131 0.000 1.074 244 L CA 2.072 56.973 54.840 0.102 0.000 0.760 244 L CB -0.203 41.916 42.059 0.100 0.000 0.889 244 L HN 0.743 nan 8.230 nan 0.000 0.433 245 M N -1.169 118.485 119.600 0.091 0.000 2.108 245 M HA -0.163 4.317 4.480 0.000 0.000 0.261 245 M C 1.778 178.182 176.300 0.174 0.000 1.066 245 M CA 1.918 57.263 55.300 0.074 0.000 1.107 245 M CB -0.646 31.908 32.600 -0.076 0.000 1.356 245 M HN 0.388 nan 8.290 nan 0.000 0.406 246 G N -0.213 108.697 108.800 0.183 0.000 3.042 246 G HA2 -0.003 3.957 3.960 0.000 0.000 0.212 246 G HA3 -0.003 3.957 3.960 0.000 0.000 0.212 246 G C 0.387 175.355 174.900 0.113 0.000 1.166 246 G CA -0.345 44.849 45.100 0.157 0.000 0.767 246 G HN 0.287 nan 8.290 nan 0.000 0.546 247 K N 0.619 121.090 120.400 0.119 0.000 2.491 247 K HA 0.306 4.626 4.320 0.000 0.000 0.279 247 K C 1.306 177.929 176.600 0.039 0.000 1.026 247 K CA 1.062 57.350 56.287 0.002 0.000 1.070 247 K CB -0.041 32.293 32.500 -0.277 0.000 0.887 247 K HN 0.238 nan 8.250 nan 0.000 0.481 248 G N 3.469 112.260 108.800 -0.016 0.000 2.229 248 G HA2 -0.224 3.736 3.960 0.000 0.000 0.189 248 G HA3 -0.224 3.736 3.960 0.000 0.000 0.189 248 G C 0.610 175.496 174.900 -0.022 0.000 1.000 248 G CA 0.172 45.282 45.100 0.017 0.000 0.663 248 G HN 0.733 nan 8.290 nan 0.000 0.493 249 I N -2.251 118.257 120.570 -0.102 0.000 2.617 249 I HA 0.500 4.670 4.170 0.000 0.000 0.256 249 I C 0.568 176.512 176.117 -0.288 0.000 1.167 249 I CA 0.332 61.480 61.300 -0.254 0.000 1.469 249 I CB -0.093 37.625 38.000 -0.470 0.000 1.098 249 I HN -0.045 nan 8.210 nan 0.000 0.436 250 F N 1.606 121.570 119.950 0.023 0.000 2.507 250 F HA 0.408 4.935 4.527 -0.000 0.000 0.327 250 F C 0.074 175.786 175.800 -0.146 0.000 1.068 250 F CA -1.468 56.529 58.000 -0.005 0.000 0.965 250 F CB 0.717 39.776 39.000 0.099 0.000 1.192 250 F HN -0.146 nan 8.300 nan 0.000 0.476 251 D N 1.871 122.345 120.400 0.123 0.000 2.359 251 D HA 0.051 4.691 4.640 0.000 0.000 0.250 251 D C 0.599 176.752 176.300 -0.246 0.000 1.264 251 D CA 0.207 54.173 54.000 -0.058 0.000 0.911 251 D CB 0.351 41.146 40.800 -0.009 0.000 1.056 251 D HN 0.610 nan 8.370 nan 0.000 0.499 252 E N 2.536 122.431 120.200 -0.508 0.000 2.515 252 E HA -0.080 4.270 4.350 0.000 0.000 0.201 252 E C 1.105 177.457 176.600 -0.413 0.000 1.071 252 E CA 0.317 56.119 56.400 -0.997 0.000 0.880 252 E CB 0.309 29.305 29.700 -1.173 0.000 0.828 252 E HN 0.450 nan 8.360 nan 0.000 0.540 253 R N 0.389 120.758 120.500 -0.218 0.000 2.312 253 R HA 0.069 4.409 4.340 0.000 0.000 0.205 253 R C 0.657 176.913 176.300 -0.072 0.000 0.904 253 R CA 0.069 56.104 56.100 -0.109 0.000 1.052 253 R CB 0.330 30.582 30.300 -0.080 0.000 1.014 253 R HN 0.082 nan 8.270 nan 0.000 0.503 254 Q N 0.628 120.390 119.800 -0.064 0.000 2.396 254 Q HA 0.320 4.660 4.340 0.000 0.000 0.221 254 Q C -0.102 175.889 176.000 -0.014 0.000 1.025 254 Q CA -0.184 55.608 55.803 -0.018 0.000 0.946 254 Q CB 0.569 29.319 28.738 0.021 0.000 1.224 254 Q HN 0.110 nan 8.270 nan 0.000 0.539 255 A N -0.378 122.436 122.820 -0.009 0.000 2.440 255 A HA 0.484 4.804 4.320 0.000 0.000 0.251 255 A C 1.022 178.613 177.584 0.011 0.000 1.089 255 A CA 0.700 52.714 52.037 -0.039 0.000 0.779 255 A CB -0.335 18.652 19.000 -0.022 0.000 1.022 255 A HN 0.907 nan 8.150 nan 0.000 0.492 256 G N 0.484 109.190 108.800 -0.157 0.000 2.195 256 G HA2 -0.201 3.759 3.960 0.000 0.000 0.224 256 G HA3 -0.201 3.759 3.960 0.000 0.000 0.224 256 G C -0.018 174.609 174.900 -0.455 0.000 0.990 256 G CA 0.258 45.301 45.100 -0.096 0.000 0.639 256 G HN 1.192 nan 8.290 nan 0.000 0.514 257 F N 1.626 121.139 119.950 -0.728 0.000 2.404 257 F HA 0.695 5.222 4.527 0.000 0.000 0.354 257 F C 0.752 176.177 175.800 -0.624 0.000 1.122 257 F CA -1.133 56.436 58.000 -0.719 0.000 1.080 257 F CB 0.889 39.558 39.000 -0.551 0.000 1.131 257 F HN 0.023 nan 8.300 nan 0.000 0.471 258 Y N 3.518 123.491 120.300 -0.544 0.000 2.481 258 Y HA 0.545 5.095 4.550 0.000 0.000 0.247 258 Y C 0.991 176.725 175.900 -0.276 0.000 1.151 258 Y CA -0.090 57.848 58.100 -0.271 0.000 1.238 258 Y CB 0.310 38.640 38.460 -0.217 0.000 1.179 258 Y HN 0.741 nan 8.280 nan 0.000 0.524 259 G N -0.550 107.950 108.800 -0.500 0.000 2.353 259 G HA2 0.007 3.967 3.960 0.000 0.000 0.424 259 G HA3 0.007 3.967 3.960 0.000 0.000 0.424 259 G C -1.035 173.675 174.900 -0.316 0.000 1.320 259 G CA -1.142 43.857 45.100 -0.169 0.000 0.995 259 G HN -0.174 nan 8.290 nan 0.000 0.580 260 T N 0.796 115.353 114.554 0.006 0.000 2.832 260 T HA 0.460 4.810 4.350 0.000 0.000 0.296 260 T C -0.308 174.433 174.700 0.067 0.000 0.968 260 T CA 0.253 62.390 62.100 0.062 0.000 1.107 260 T CB 0.945 69.864 68.868 0.085 0.000 0.916 260 T HN 0.638 nan 8.240 nan 0.000 0.517 261 Y N 2.904 123.191 120.300 -0.021 0.000 2.304 261 Y HA 0.405 4.955 4.550 0.000 0.000 0.328 261 Y C 0.482 176.412 175.900 0.050 0.000 1.123 261 Y CA -0.711 57.393 58.100 0.006 0.000 1.218 261 Y CB 0.751 39.227 38.460 0.027 0.000 1.207 261 Y HN 0.625 nan 8.280 nan 0.000 0.495 262 S N 3.725 119.019 115.700 -0.678 0.000 2.607 262 S HA 0.518 4.988 4.470 0.000 0.000 0.196 262 S C 0.224 174.491 174.600 -0.555 0.000 0.911 262 S CA -0.407 57.497 58.200 -0.494 0.000 1.133 262 S CB -0.308 62.781 63.200 -0.185 0.000 1.612 262 S HN 1.645 nan 8.310 nan 0.000 0.437 263 G N 2.929 111.147 108.800 -0.970 0.000 2.552 263 G HA2 -0.339 3.621 3.960 0.000 0.000 0.265 263 G HA3 -0.339 3.621 3.960 0.000 0.000 0.265 263 G C 1.008 175.774 174.900 -0.224 0.000 1.234 263 G CA 0.653 45.513 45.100 -0.400 0.000 0.944 263 G HN 1.741 nan 8.290 nan 0.000 0.568 264 S N -0.179 115.464 115.700 -0.095 0.000 2.474 264 S HA 0.282 4.752 4.470 0.000 0.000 0.235 264 S C 2.366 176.920 174.600 -0.077 0.000 0.997 264 S CA 1.570 59.735 58.200 -0.059 0.000 0.949 264 S CB -0.180 62.997 63.200 -0.038 0.000 0.766 264 S HN 2.111 nan 8.310 nan 0.000 0.517 265 A N 1.048 123.801 122.820 -0.113 0.000 2.235 265 A HA 0.376 4.696 4.320 0.000 0.000 0.208 265 A C 1.257 178.783 177.584 -0.097 0.000 1.172 265 A CA 0.011 51.986 52.037 -0.103 0.000 0.786 265 A CB -0.420 18.506 19.000 -0.122 0.000 0.804 265 A HN 0.465 nan 8.150 nan 0.000 0.479 266 S N 0.391 116.022 115.700 -0.115 0.000 2.600 266 S HA 0.366 4.836 4.470 0.000 0.000 0.265 266 S C 0.827 175.406 174.600 -0.035 0.000 1.325 266 S CA 0.097 58.250 58.200 -0.078 0.000 1.002 266 S CB 0.671 63.832 63.200 -0.064 0.000 0.921 266 S HN 0.665 nan 8.310 nan 0.000 0.554 267 T N -0.853 113.691 114.554 -0.017 0.000 2.860 267 T HA 0.349 4.699 4.350 0.000 0.000 0.299 267 T C 1.600 176.292 174.700 -0.014 0.000 1.045 267 T CA -0.320 61.773 62.100 -0.011 0.000 1.071 267 T CB 0.571 69.439 68.868 0.001 0.000 0.985 267 T HN 0.586 nan 8.240 nan 0.000 0.537 268 G N 0.578 109.367 108.800 -0.018 0.000 2.442 268 G HA2 -0.074 3.886 3.960 0.000 0.000 0.219 268 G HA3 -0.074 3.886 3.960 0.000 0.000 0.219 268 G C 1.722 176.589 174.900 -0.054 0.000 1.141 268 G CA 0.804 45.887 45.100 -0.029 0.000 0.763 268 G HN 1.099 nan 8.290 nan 0.000 0.554 269 A N 0.153 122.941 122.820 -0.053 0.000 1.858 269 A HA 0.041 4.361 4.320 0.000 0.000 0.216 269 A C 2.639 180.110 177.584 -0.188 0.000 1.190 269 A CA 2.017 53.988 52.037 -0.109 0.000 0.617 269 A CB -0.795 18.200 19.000 -0.008 0.000 0.827 269 A HN 0.278 nan 8.150 nan 0.000 0.443 270 V N 0.330 120.193 119.914 -0.084 0.000 2.261 270 V HA -0.294 3.826 4.120 0.000 0.000 0.246 270 V C 2.550 178.621 176.094 -0.038 0.000 1.047 270 V CA 2.450 64.708 62.300 -0.069 0.000 1.015 270 V CB -0.749 31.081 31.823 0.012 0.000 0.642 270 V HN 0.680 nan 8.190 nan 0.000 0.446 271 K N -0.453 119.957 120.400 0.018 0.000 2.074 271 K HA -0.257 4.063 4.320 0.000 0.000 0.209 271 K C 2.275 178.856 176.600 -0.032 0.000 1.048 271 K CA 1.769 58.091 56.287 0.058 0.000 0.926 271 K CB -0.106 32.416 32.500 0.036 0.000 0.713 271 K HN 0.354 nan 8.250 nan 0.000 0.444 272 E N 0.095 120.236 120.200 -0.099 0.000 2.046 272 E HA -0.100 4.250 4.350 0.000 0.000 0.190 272 E C 1.881 178.363 176.600 -0.197 0.000 0.982 272 E CA 1.140 57.459 56.400 -0.136 0.000 0.800 272 E CB -0.197 29.411 29.700 -0.153 0.000 0.756 272 E HN 0.403 nan 8.360 nan 0.000 0.449 273 A N 1.016 123.648 122.820 -0.313 0.000 1.933 273 A HA -0.161 4.159 4.320 0.000 0.000 0.218 273 A C 2.079 179.526 177.584 -0.228 0.000 1.175 273 A CA 1.242 53.050 52.037 -0.382 0.000 0.628 273 A CB -0.243 18.338 19.000 -0.698 0.000 0.814 273 A HN 0.161 nan 8.150 nan 0.000 0.444 274 I N -0.909 119.539 120.570 -0.203 0.000 2.594 274 I HA -0.025 4.146 4.170 0.000 0.000 0.237 274 I C 2.156 178.169 176.117 -0.173 0.000 1.071 274 I CA 0.976 62.145 61.300 -0.218 0.000 1.427 274 I CB -1.781 35.993 38.000 -0.378 0.000 1.218 274 I HN 0.355 nan 8.210 nan 0.000 0.444 275 E N 0.934 121.057 120.200 -0.129 0.000 2.333 275 E HA -0.117 4.233 4.350 0.000 0.000 0.198 275 E C 2.123 178.684 176.600 -0.066 0.000 1.007 275 E CA 0.908 57.266 56.400 -0.070 0.000 0.845 275 E CB -0.204 29.500 29.700 0.006 0.000 0.766 275 E HN 0.567 nan 8.360 nan 0.000 0.507 276 G N 1.179 109.929 108.800 -0.083 0.000 2.464 276 G HA2 -0.003 3.957 3.960 0.000 0.000 0.217 276 G HA3 -0.003 3.957 3.960 0.000 0.000 0.217 276 G C 0.653 175.510 174.900 -0.072 0.000 1.138 276 G CA 0.356 45.409 45.100 -0.078 0.000 0.793 276 G HN 0.293 nan 8.290 nan 0.000 0.539 277 A N 1.355 124.129 122.820 -0.077 0.000 2.445 277 A HA 0.349 4.669 4.320 0.000 0.000 0.242 277 A C 1.322 178.878 177.584 -0.046 0.000 1.075 277 A CA 0.379 52.381 52.037 -0.058 0.000 0.777 277 A CB 0.387 19.355 19.000 -0.054 0.000 1.013 277 A HN 0.400 nan 8.150 nan 0.000 0.493 278 D N 0.561 120.938 120.400 -0.037 0.000 2.363 278 D HA -0.048 4.592 4.640 0.000 0.000 0.220 278 D C 0.415 176.701 176.300 -0.023 0.000 0.994 278 D CA 1.257 55.238 54.000 -0.032 0.000 0.890 278 D CB -0.208 40.572 40.800 -0.034 0.000 0.906 278 D HN 0.571 nan 8.370 nan 0.000 0.530 279 T N -1.835 112.708 114.554 -0.017 0.000 3.109 279 T HA 0.429 4.779 4.350 0.000 0.000 0.311 279 T C -1.074 173.623 174.700 -0.004 0.000 1.011 279 T CA -0.919 61.177 62.100 -0.007 0.000 1.026 279 T CB 1.914 70.781 68.868 -0.002 0.000 1.047 279 T HN -0.043 nan 8.240 nan 0.000 0.448 280 V N 5.897 125.810 119.914 -0.002 0.000 2.487 280 V HA 0.672 4.792 4.120 0.000 0.000 0.298 280 V C -0.902 175.210 176.094 0.031 0.000 1.028 280 V CA -1.200 61.097 62.300 -0.006 0.000 0.860 280 V CB 1.272 33.074 31.823 -0.036 0.000 0.991 280 V HN 0.993 nan 8.190 nan 0.000 0.427 281 L N 6.675 127.919 121.223 0.035 0.000 2.278 281 L HA 0.444 4.784 4.340 0.000 0.000 0.287 281 L C -0.383 176.534 176.870 0.077 0.000 1.072 281 L CA -0.298 54.592 54.840 0.083 0.000 0.819 281 L CB 0.859 42.991 42.059 0.121 0.000 1.176 281 L HN 0.595 nan 8.230 nan 0.000 0.435 282 C N 4.354 123.718 119.300 0.106 0.000 2.223 282 C HA 0.460 4.920 4.460 0.000 0.000 0.324 282 C C 0.488 175.522 174.990 0.074 0.000 1.196 282 C CA -0.789 58.293 59.018 0.106 0.000 1.628 282 C CB 0.090 27.936 27.740 0.175 0.000 2.229 282 C HN 0.491 nan 8.230 nan 0.000 0.486 283 V N 3.211 123.157 119.914 0.054 0.000 2.384 283 V HA 0.671 4.791 4.120 0.000 0.000 0.287 283 V C 0.962 177.024 176.094 -0.055 0.000 1.020 283 V CA 0.468 62.788 62.300 0.033 0.000 0.850 283 V CB 1.074 32.962 31.823 0.109 0.000 0.987 283 V HN 1.137 nan 8.190 nan 0.000 0.436 284 G N 3.382 112.107 108.800 -0.125 0.000 2.305 284 G HA2 -0.251 3.709 3.960 0.000 0.000 0.287 284 G HA3 -0.251 3.709 3.960 0.000 0.000 0.287 284 G C 0.318 175.071 174.900 -0.246 0.000 1.036 284 G CA 0.753 45.698 45.100 -0.259 0.000 0.887 284 G HN 0.899 nan 8.290 nan 0.000 0.505 285 T N -1.026 113.422 114.554 -0.177 0.000 2.882 285 T HA 0.676 5.026 4.350 0.000 0.000 0.287 285 T C 0.146 174.683 174.700 -0.272 0.000 0.992 285 T CA -0.418 61.528 62.100 -0.257 0.000 1.076 285 T CB 0.699 69.351 68.868 -0.360 0.000 0.961 285 T HN 0.398 nan 8.240 nan 0.000 0.490 286 R N 3.385 123.714 120.500 -0.285 0.000 2.575 286 R HA 0.362 4.702 4.340 0.000 0.000 0.292 286 R C -1.399 174.781 176.300 -0.199 0.000 1.246 286 R CA -0.560 55.473 56.100 -0.111 0.000 0.973 286 R CB 0.211 30.640 30.300 0.215 0.000 1.187 286 R HN 0.559 nan 8.270 nan 0.000 0.478 287 F N 2.681 122.701 119.950 0.116 0.000 2.652 287 F HA 0.147 4.674 4.527 0.000 0.000 0.352 287 F C 1.223 177.128 175.800 0.176 0.000 1.259 287 F CA -0.260 57.764 58.000 0.040 0.000 1.249 287 F CB -0.244 38.663 39.000 -0.155 0.000 1.628 287 F HN 0.307 nan 8.300 nan 0.000 0.654 288 T N -2.837 111.860 114.554 0.239 0.000 2.788 288 T HA 0.078 4.428 4.350 0.000 0.000 0.287 288 T C 1.370 176.073 174.700 0.005 0.000 1.007 288 T CA -0.464 61.765 62.100 0.215 0.000 1.005 288 T CB 1.105 70.028 68.868 0.090 0.000 1.012 288 T HN 0.476 nan 8.240 nan 0.000 0.530 289 D N 0.652 120.893 120.400 -0.264 0.000 2.117 289 D HA -0.187 4.453 4.640 0.000 0.000 0.197 289 D C 1.975 178.039 176.300 -0.393 0.000 0.987 289 D CA 2.060 55.570 54.000 -0.817 0.000 0.829 289 D CB -1.371 38.998 40.800 -0.718 0.000 0.961 289 D HN 0.743 nan 8.370 nan 0.000 0.460 290 T N -1.002 113.441 114.554 -0.185 0.000 2.867 290 T HA -0.077 4.273 4.350 0.000 0.000 0.268 290 T C 2.031 176.704 174.700 -0.046 0.000 1.057 290 T CA 0.528 62.569 62.100 -0.098 0.000 1.136 290 T CB -0.425 68.465 68.868 0.036 0.000 0.874 290 T HN 0.022 nan 8.240 nan 0.000 0.466 291 L N 2.234 123.444 121.223 -0.023 0.000 2.395 291 L HA 0.197 4.537 4.340 0.000 0.000 0.218 291 L C 2.344 179.197 176.870 -0.028 0.000 1.130 291 L CA 1.396 56.245 54.840 0.016 0.000 0.826 291 L CB -0.531 41.559 42.059 0.051 0.000 0.941 291 L HN 0.633 nan 8.230 nan 0.000 0.451 292 T N -4.649 109.858 114.554 -0.078 0.000 3.132 292 T HA 0.528 4.878 4.350 0.000 0.000 0.274 292 T C 0.840 175.469 174.700 -0.118 0.000 1.011 292 T CA 0.091 62.145 62.100 -0.076 0.000 0.899 292 T CB 0.147 69.039 68.868 0.040 0.000 1.089 292 T HN 0.176 nan 8.240 nan 0.000 0.543 293 A N 0.615 123.329 122.820 -0.177 0.000 2.610 293 A HA 0.244 4.564 4.320 0.000 0.000 0.299 293 A C 1.507 178.981 177.584 -0.184 0.000 1.487 293 A CA 0.716 52.641 52.037 -0.186 0.000 0.743 293 A CB -2.233 16.677 19.000 -0.151 0.000 1.070 293 A HN 2.312 nan 8.150 nan 0.000 0.439 294 G N -1.538 107.076 108.800 -0.311 0.000 2.204 294 G HA2 0.056 4.016 3.960 0.000 0.000 0.244 294 G HA3 0.056 4.016 3.960 0.000 0.000 0.244 294 G C 0.365 175.163 174.900 -0.169 0.000 1.062 294 G CA 0.195 45.095 45.100 -0.334 0.000 0.798 294 G HN 2.048 nan 8.290 nan 0.000 0.496 295 F N -1.630 118.388 119.950 0.114 0.000 3.040 295 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 295 F C 1.656 177.534 175.800 0.130 0.000 0.948 295 F CA 1.791 59.929 58.000 0.230 0.000 1.022 295 F CB -2.543 36.557 39.000 0.167 0.000 1.023 295 F HN 0.843 nan 8.300 nan 0.000 0.742 296 T N -3.167 111.516 114.554 0.215 0.000 3.186 296 T HA 0.128 4.478 4.350 0.000 0.000 0.257 296 T C 0.541 175.273 174.700 0.053 0.000 1.029 296 T CA 0.077 62.218 62.100 0.069 0.000 0.916 296 T CB -0.346 68.527 68.868 0.009 0.000 1.041 296 T HN 0.538 nan 8.240 nan 0.000 0.562 297 H N 0.859 119.928 119.070 -0.003 0.000 2.683 297 H HA 0.354 4.910 4.556 0.000 0.000 0.339 297 H C -0.525 174.796 175.328 -0.011 0.000 1.081 297 H CA -0.766 55.288 56.048 0.011 0.000 1.432 297 H CB 0.647 30.387 29.762 -0.038 0.000 1.462 297 H HN 0.136 nan 8.280 nan 0.000 0.557 298 Q N 4.213 124.024 119.800 0.019 0.000 2.730 298 Q HA 0.379 4.719 4.340 0.000 0.000 0.244 298 Q C -0.461 175.510 176.000 -0.048 0.000 1.176 298 Q CA -0.191 55.574 55.803 -0.062 0.000 1.024 298 Q CB 0.623 29.349 28.738 -0.020 0.000 1.215 298 Q HN 0.566 nan 8.270 nan 0.000 0.542 299 L N 1.113 122.277 121.223 -0.098 0.000 2.410 299 L HA 0.544 4.884 4.340 0.000 0.000 0.270 299 L C 0.331 177.161 176.870 -0.066 0.000 0.983 299 L CA -0.769 54.035 54.840 -0.060 0.000 0.822 299 L CB 2.224 44.257 42.059 -0.045 0.000 1.285 299 L HN 0.252 nan 8.230 nan 0.000 0.409 300 T N -1.443 113.089 114.554 -0.038 0.000 2.952 300 T HA 0.489 4.839 4.350 0.000 0.000 0.286 300 T C -2.246 172.452 174.700 -0.003 0.000 1.024 300 T CA -2.020 60.063 62.100 -0.027 0.000 1.029 300 T CB 2.243 71.094 68.868 -0.028 0.000 1.094 300 T HN 0.203 nan 8.240 nan 0.000 0.515 301 P HA -0.035 nan 4.420 nan 0.000 0.214 301 P C 1.743 179.041 177.300 -0.003 0.000 1.163 301 P CA 1.724 64.831 63.100 0.010 0.000 0.883 301 P CB -0.316 31.395 31.700 0.017 0.000 0.788 302 A N -0.092 122.725 122.820 -0.004 0.000 1.940 302 A HA -0.281 4.039 4.320 0.000 0.000 0.219 302 A C 2.319 179.899 177.584 -0.008 0.000 1.176 302 A CA 1.873 53.906 52.037 -0.007 0.000 0.631 302 A CB -1.500 17.495 19.000 -0.008 0.000 0.814 302 A HN 0.263 nan 8.150 nan 0.000 0.446 303 Q N 0.082 119.877 119.800 -0.009 0.000 2.369 303 Q HA -0.051 4.289 4.340 0.000 0.000 0.206 303 Q C 0.515 176.515 176.000 -0.000 0.000 0.963 303 Q CA 1.265 57.062 55.803 -0.010 0.000 0.894 303 Q CB -0.165 28.562 28.738 -0.017 0.000 0.965 303 Q HN 0.697 nan 8.270 nan 0.000 0.475 304 T N -2.352 112.207 114.554 0.009 0.000 2.942 304 T HA 0.670 5.020 4.350 0.000 0.000 0.289 304 T C -0.301 174.411 174.700 0.021 0.000 1.044 304 T CA -0.898 61.218 62.100 0.027 0.000 1.023 304 T CB 1.681 70.582 68.868 0.054 0.000 1.123 304 T HN 0.148 nan 8.240 nan 0.000 0.512 305 I N 1.692 122.289 120.570 0.045 0.000 2.500 305 I HA 0.369 4.539 4.170 0.000 0.000 0.286 305 I C -0.475 175.686 176.117 0.073 0.000 1.063 305 I CA -0.727 60.611 61.300 0.063 0.000 1.062 305 I CB 1.870 39.933 38.000 0.104 0.000 1.223 305 I HN 0.901 nan 8.210 nan 0.000 0.435 306 E N 6.606 126.810 120.200 0.007 0.000 2.256 306 E HA 0.703 5.053 4.350 0.000 0.000 0.267 306 E C -1.270 175.329 176.600 -0.001 0.000 0.892 306 E CA -0.886 55.530 56.400 0.027 0.000 0.775 306 E CB 2.934 32.665 29.700 0.052 0.000 1.207 306 E HN 0.298 nan 8.360 nan 0.000 0.420 307 V N 0.252 120.183 119.914 0.027 0.000 2.540 307 V HA 0.524 4.644 4.120 0.000 0.000 0.302 307 V C -0.922 175.155 176.094 -0.030 0.000 1.035 307 V CA -0.603 61.685 62.300 -0.021 0.000 0.873 307 V CB 1.559 33.366 31.823 -0.028 0.000 0.992 307 V HN 0.709 nan 8.190 nan 0.000 0.428 308 Q N 3.967 123.756 119.800 -0.018 0.000 2.418 308 Q HA 0.550 4.891 4.340 0.000 0.000 0.276 308 Q C -2.110 173.743 176.000 -0.245 0.000 1.081 308 Q CA -2.073 53.675 55.803 -0.092 0.000 0.864 308 Q CB 1.790 30.554 28.738 0.043 0.000 1.384 308 Q HN 0.467 nan 8.270 nan 0.000 0.467 309 P HA -0.183 nan 4.420 nan 0.000 0.217 309 P C 0.366 177.238 177.300 -0.713 0.000 1.158 309 P CA 1.834 64.485 63.100 -0.748 0.000 0.887 309 P CB 0.231 31.414 31.700 -0.861 0.000 0.792 310 H N -3.290 115.736 119.070 -0.074 0.000 2.916 310 H HA 0.674 5.230 4.556 0.000 0.000 0.262 310 H C 0.260 175.587 175.328 -0.002 0.000 1.178 310 H CA -0.029 55.999 56.048 -0.033 0.000 1.090 310 H CB 0.741 30.499 29.762 -0.008 0.000 1.657 310 H HN 0.044 nan 8.280 nan 0.000 0.601 311 A N 0.678 123.547 122.820 0.082 0.000 2.604 311 A HA 0.776 5.096 4.320 0.000 0.000 0.295 311 A C -1.216 176.483 177.584 0.191 0.000 1.067 311 A CA -0.105 52.036 52.037 0.172 0.000 0.683 311 A CB 1.469 20.615 19.000 0.244 0.000 1.281 311 A HN 0.232 nan 8.150 nan 0.000 0.407 312 A N 0.854 123.743 122.820 0.115 0.000 2.423 312 A HA 0.963 5.283 4.320 0.000 0.000 0.304 312 A C -0.335 177.207 177.584 -0.071 0.000 1.104 312 A CA -0.646 51.317 52.037 -0.122 0.000 0.757 312 A CB 1.477 20.007 19.000 -0.783 0.000 1.313 312 A HN 1.190 nan 8.150 nan 0.000 0.423 313 R N 0.104 120.420 120.500 -0.306 0.000 2.673 313 R HA 0.651 4.991 4.340 0.000 0.000 0.281 313 R C -1.942 174.310 176.300 -0.080 0.000 0.991 313 R CA -0.451 55.349 56.100 -0.500 0.000 0.896 313 R CB 2.121 31.416 30.300 -1.674 0.000 1.201 313 R HN 1.179 nan 8.270 nan 0.000 0.457 314 V N 1.951 121.912 119.914 0.078 0.000 2.482 314 V HA 0.781 4.901 4.120 0.000 0.000 0.295 314 V C 0.473 176.580 176.094 0.021 0.000 1.026 314 V CA 0.499 62.860 62.300 0.101 0.000 0.856 314 V CB 0.700 32.633 31.823 0.183 0.000 1.001 314 V HN 1.137 nan 8.190 nan 0.000 0.424 315 G N 4.620 113.405 108.800 -0.024 0.000 2.596 315 G HA2 -0.298 3.662 3.960 0.000 0.000 0.304 315 G HA3 -0.298 3.662 3.960 0.000 0.000 0.304 315 G C 0.364 175.227 174.900 -0.061 0.000 1.189 315 G CA 0.862 45.947 45.100 -0.025 0.000 0.986 315 G HN 0.827 nan 8.290 nan 0.000 0.548 316 D N 0.388 120.767 120.400 -0.035 0.000 2.360 316 D HA 0.259 4.899 4.640 0.000 0.000 0.210 316 D C 0.957 177.226 176.300 -0.052 0.000 1.047 316 D CA 0.637 54.624 54.000 -0.023 0.000 0.854 316 D CB 0.697 41.506 40.800 0.014 0.000 0.936 316 D HN 0.308 nan 8.370 nan 0.000 0.514 317 V N 1.270 121.119 119.914 -0.108 0.000 2.439 317 V HA 0.234 4.354 4.120 0.000 0.000 0.282 317 V C -0.410 175.434 176.094 -0.416 0.000 1.039 317 V CA -0.736 61.436 62.300 -0.213 0.000 0.913 317 V CB 1.336 33.021 31.823 -0.230 0.000 0.983 317 V HN -0.017 nan 8.190 nan 0.000 0.460 318 W N 3.579 124.645 121.300 -0.389 0.000 2.570 318 W HA 0.689 5.349 4.660 -0.000 0.000 0.337 318 W C -0.701 175.451 176.519 -0.612 0.000 1.067 318 W CA -0.507 56.659 57.345 -0.299 0.000 1.229 318 W CB 1.473 30.856 29.460 -0.127 0.000 1.355 318 W HN 0.397 nan 8.180 nan 0.000 0.555 319 F N 2.125 122.231 119.950 0.259 0.000 2.434 319 F HA 0.281 4.808 4.527 0.000 0.000 0.367 319 F C 0.639 176.517 175.800 0.130 0.000 1.093 319 F CA -1.135 56.955 58.000 0.149 0.000 1.085 319 F CB 0.560 39.613 39.000 0.088 0.000 1.322 319 F HN 0.078 nan 8.300 nan 0.000 0.452 320 T N -1.230 113.452 114.554 0.214 0.000 2.910 320 T HA 0.549 4.899 4.350 0.000 0.000 0.293 320 T C 0.938 175.713 174.700 0.124 0.000 1.015 320 T CA 0.100 62.289 62.100 0.148 0.000 1.094 320 T CB 1.533 70.446 68.868 0.074 0.000 0.968 320 T HN 1.225 nan 8.240 nan 0.000 0.521 321 G N 1.890 110.753 108.800 0.105 0.000 2.140 321 G HA2 -0.145 3.815 3.960 0.000 0.000 0.211 321 G HA3 -0.145 3.815 3.960 0.000 0.000 0.211 321 G C -0.141 174.809 174.900 0.082 0.000 1.013 321 G CA -0.164 44.988 45.100 0.087 0.000 0.705 321 G HN 0.911 nan 8.290 nan 0.000 0.508 322 I N 0.892 121.501 120.570 0.065 0.000 2.410 322 I HA 0.292 4.462 4.170 0.000 0.000 0.286 322 I C -2.334 173.774 176.117 -0.014 0.000 1.009 322 I CA -2.509 58.794 61.300 0.004 0.000 1.111 322 I CB 2.340 40.281 38.000 -0.099 0.000 1.262 322 I HN -0.166 nan 8.210 nan 0.000 0.443 323 P HA 0.094 nan 4.420 nan 0.000 0.268 323 P C 0.864 178.104 177.300 -0.100 0.000 1.204 323 P CA -0.056 63.032 63.100 -0.020 0.000 0.768 323 P CB 0.718 32.408 31.700 -0.016 0.000 0.842 324 M N 4.419 123.919 119.600 -0.167 0.000 2.113 324 M HA -0.323 4.157 4.480 0.000 0.000 0.255 324 M C 1.778 178.006 176.300 -0.119 0.000 1.073 324 M CA 2.387 57.572 55.300 -0.191 0.000 1.091 324 M CB -0.499 31.905 32.600 -0.327 0.000 1.309 324 M HN 0.363 nan 8.290 nan 0.000 0.407 325 N N -0.200 118.442 118.700 -0.097 0.000 2.149 325 N HA -0.264 4.476 4.740 0.000 0.000 0.188 325 N C 1.474 176.942 175.510 -0.071 0.000 1.019 325 N CA 2.136 55.146 53.050 -0.067 0.000 0.857 325 N CB -0.822 37.634 38.487 -0.053 0.000 0.997 325 N HN 0.656 nan 8.380 nan 0.000 0.426 326 Q N 0.033 119.786 119.800 -0.079 0.000 2.123 326 Q HA 0.137 4.477 4.340 0.000 0.000 0.199 326 Q C 2.257 178.245 176.000 -0.019 0.000 0.966 326 Q CA 1.360 57.128 55.803 -0.060 0.000 0.845 326 Q CB -0.103 28.599 28.738 -0.061 0.000 0.907 326 Q HN 0.602 nan 8.270 nan 0.000 0.439 327 A N 0.846 123.646 122.820 -0.034 0.000 1.898 327 A HA -0.160 4.160 4.320 0.000 0.000 0.216 327 A C 1.969 179.604 177.584 0.085 0.000 1.181 327 A CA 1.012 53.074 52.037 0.041 0.000 0.620 327 A CB -0.554 18.333 19.000 -0.188 0.000 0.819 327 A HN 0.299 nan 8.150 nan 0.000 0.442 328 I N -0.589 119.971 120.570 -0.016 0.000 2.226 328 I HA -0.237 3.933 4.170 0.000 0.000 0.245 328 I C 2.555 178.509 176.117 -0.272 0.000 1.100 328 I CA 1.767 63.008 61.300 -0.099 0.000 1.374 328 I CB -0.301 37.682 38.000 -0.029 0.000 1.057 328 I HN 0.411 nan 8.210 nan 0.000 0.413 329 E N 1.127 121.226 120.200 -0.168 0.000 2.085 329 E HA -0.199 4.151 4.350 0.000 0.000 0.194 329 E C 2.034 178.520 176.600 -0.190 0.000 0.994 329 E CA 2.153 58.444 56.400 -0.183 0.000 0.801 329 E CB -0.313 29.328 29.700 -0.100 0.000 0.743 329 E HN 0.311 nan 8.360 nan 0.000 0.453 330 T N 0.776 115.269 114.554 -0.101 0.000 2.746 330 T HA -0.107 4.243 4.350 0.000 0.000 0.267 330 T C 1.496 176.094 174.700 -0.171 0.000 1.039 330 T CA 1.081 63.127 62.100 -0.090 0.000 1.142 330 T CB -0.232 68.648 68.868 0.019 0.000 0.866 330 T HN 0.062 nan 8.240 nan 0.000 0.444 331 L N 1.029 122.136 121.223 -0.193 0.000 2.083 331 L HA -0.007 4.333 4.340 0.000 0.000 0.209 331 L C 2.539 179.167 176.870 -0.403 0.000 1.083 331 L CA 1.160 55.864 54.840 -0.227 0.000 0.752 331 L CB -1.078 40.914 42.059 -0.111 0.000 0.899 331 L HN 0.148 nan 8.230 nan 0.000 0.433 332 V N -0.777 118.697 119.914 -0.733 0.000 2.358 332 V HA -0.259 3.861 4.120 0.000 0.000 0.246 332 V C 2.388 178.289 176.094 -0.322 0.000 1.047 332 V CA 1.477 63.295 62.300 -0.804 0.000 1.035 332 V CB -0.476 30.843 31.823 -0.841 0.000 0.658 332 V HN 0.457 nan 8.190 nan 0.000 0.452 333 E N 0.143 120.201 120.200 -0.236 0.000 2.051 333 E HA -0.195 4.155 4.350 0.000 0.000 0.192 333 E C 2.239 178.790 176.600 -0.083 0.000 0.991 333 E CA 1.362 57.682 56.400 -0.133 0.000 0.799 333 E CB -0.215 29.418 29.700 -0.112 0.000 0.748 333 E HN 0.499 nan 8.360 nan 0.000 0.449 334 L N 0.277 121.454 121.223 -0.077 0.000 2.093 334 L HA -0.183 4.157 4.340 0.000 0.000 0.208 334 L C 2.568 179.497 176.870 0.097 0.000 1.085 334 L CA 0.569 55.414 54.840 0.009 0.000 0.755 334 L CB -0.369 41.666 42.059 -0.041 0.000 0.904 334 L HN 0.310 nan 8.230 nan 0.000 0.435 335 C N 0.069 119.408 119.300 0.065 0.000 2.432 335 C HA -0.126 4.334 4.460 0.000 0.000 0.280 335 C C 2.714 177.755 174.990 0.084 0.000 1.353 335 C CA 0.707 59.807 59.018 0.137 0.000 1.766 335 C CB -0.684 27.236 27.740 0.301 0.000 1.924 335 C HN 0.416 nan 8.230 nan 0.000 0.509 336 K N 0.031 120.449 120.400 0.028 0.000 2.296 336 K HA -0.122 4.198 4.320 0.000 0.000 0.200 336 K C 2.079 178.642 176.600 -0.060 0.000 1.048 336 K CA 0.653 56.935 56.287 -0.010 0.000 0.966 336 K CB -0.170 32.313 32.500 -0.028 0.000 0.754 336 K HN 0.534 nan 8.250 nan 0.000 0.466 337 Q N 0.199 119.956 119.800 -0.072 0.000 2.451 337 Q HA -0.063 4.277 4.340 0.000 0.000 0.206 337 Q C -0.453 175.225 176.000 -0.536 0.000 0.947 337 Q CA 0.821 56.479 55.803 -0.243 0.000 0.937 337 Q CB 0.356 28.963 28.738 -0.219 0.000 1.025 337 Q HN 0.394 nan 8.270 nan 0.000 0.511 338 H N -1.003 117.991 119.070 -0.126 0.000 2.514 338 H HA 0.193 4.749 4.556 0.000 0.000 0.226 338 H C -0.825 174.228 175.328 -0.458 0.000 1.421 338 H CA -0.605 55.304 56.048 -0.232 0.000 1.394 338 H CB 0.527 30.189 29.762 -0.165 0.000 1.701 338 H HN -0.011 nan 8.280 nan 0.000 0.515 339 V N -1.190 118.560 119.914 -0.274 0.000 2.775 339 V HA 0.430 4.550 4.120 0.000 0.000 0.299 339 V C 0.057 175.937 176.094 -0.358 0.000 1.062 339 V CA -0.115 62.038 62.300 -0.245 0.000 1.063 339 V CB 0.934 32.702 31.823 -0.091 0.000 0.994 339 V HN 0.619 nan 8.190 nan 0.000 0.483 340 H N 1.420 120.517 119.070 0.045 0.000 2.961 340 H HA 0.730 5.286 4.556 0.000 0.000 0.371 340 H C 0.432 175.775 175.328 0.026 0.000 1.190 340 H CA -0.373 55.695 56.048 0.034 0.000 1.138 340 H CB 1.873 31.655 29.762 0.034 0.000 1.816 340 H HN 1.167 nan 8.280 nan 0.000 0.551 357 D N -1.186 119.216 120.400 0.003 0.000 2.831 357 D HA 0.627 5.267 4.640 0.000 0.000 0.240 357 D C 0.416 176.718 176.300 0.004 0.000 1.183 357 D CA 0.010 54.010 54.000 0.000 0.000 1.079 357 D CB 0.813 41.610 40.800 -0.004 0.000 1.262 357 D HN 0.815 nan 8.370 nan 0.000 0.634 358 G N 0.227 109.028 108.800 0.002 0.000 2.451 358 G HA2 -0.008 3.952 3.960 0.000 0.000 0.208 358 G HA3 -0.008 3.952 3.960 0.000 0.000 0.208 358 G C -0.431 174.472 174.900 0.005 0.000 1.248 358 G CA 0.051 45.154 45.100 0.005 0.000 0.989 358 G HN 0.880 nan 8.290 nan 0.000 0.559 359 S N -0.347 115.357 115.700 0.007 0.000 2.549 359 S HA 0.457 4.927 4.470 0.000 0.000 0.283 359 S C 0.896 175.501 174.600 0.009 0.000 1.320 359 S CA -0.233 57.971 58.200 0.006 0.000 1.058 359 S CB -0.105 63.098 63.200 0.005 0.000 0.882 359 S HN 0.775 nan 8.310 nan 0.000 0.498 360 L N 4.547 125.773 121.223 0.005 0.000 2.456 360 L HA 0.341 4.681 4.340 0.000 0.000 0.272 360 L C 0.800 177.675 176.870 0.008 0.000 1.189 360 L CA -0.058 54.788 54.840 0.010 0.000 0.846 360 L CB 0.751 42.808 42.059 -0.003 0.000 1.111 360 L HN 0.911 nan 8.230 nan 0.000 0.475 361 T N -1.627 112.946 114.554 0.032 0.000 2.843 361 T HA 0.213 4.563 4.350 0.000 0.000 0.302 361 T C 0.392 175.143 174.700 0.085 0.000 1.232 361 T CA -0.916 61.209 62.100 0.041 0.000 1.009 361 T CB 1.702 70.602 68.868 0.053 0.000 1.254 361 T HN 0.444 nan 8.240 nan 0.000 0.504 362 Q N 0.431 120.296 119.800 0.108 0.000 2.112 362 Q HA -0.187 4.153 4.340 0.000 0.000 0.206 362 Q C 1.879 178.087 176.000 0.346 0.000 0.987 362 Q CA 2.443 58.388 55.803 0.235 0.000 0.858 362 Q CB -0.423 28.490 28.738 0.291 0.000 0.905 362 Q HN 0.935 nan 8.270 nan 0.000 0.420 363 E N 2.054 122.394 120.200 0.234 0.000 2.013 363 E HA -0.236 4.114 4.350 0.000 0.000 0.202 363 E C 1.426 178.133 176.600 0.178 0.000 1.018 363 E CA 2.153 58.675 56.400 0.203 0.000 0.834 363 E CB -0.400 29.374 29.700 0.124 0.000 0.770 363 E HN 0.520 nan 8.360 nan 0.000 0.459 364 N N -0.265 118.505 118.700 0.117 0.000 2.453 364 N HA -0.131 4.609 4.740 0.000 0.000 0.183 364 N C 1.721 177.252 175.510 0.035 0.000 1.041 364 N CA 1.229 54.321 53.050 0.069 0.000 0.900 364 N CB -0.693 37.819 38.487 0.042 0.000 0.961 364 N HN 0.339 nan 8.380 nan 0.000 0.443 365 F N 0.060 119.950 119.950 -0.101 0.000 2.084 365 F HA 0.052 4.579 4.527 0.000 0.000 0.296 365 F C 1.473 177.101 175.800 -0.287 0.000 1.111 365 F CA 1.080 58.918 58.000 -0.271 0.000 1.224 365 F CB -0.427 38.293 39.000 -0.467 0.000 0.991 365 F HN 0.011 nan 8.300 nan 0.000 0.471 366 W N 0.340 121.596 121.300 -0.074 0.000 2.467 366 W HA -0.021 4.639 4.660 -0.000 0.000 0.275 366 W C 2.631 179.063 176.519 -0.144 0.000 1.239 366 W CA 0.837 58.089 57.345 -0.155 0.000 1.266 366 W CB -0.355 29.148 29.460 0.072 0.000 1.112 366 W HN -0.085 nan 8.180 nan 0.000 0.576 367 R N 0.143 120.700 120.500 0.095 0.000 2.075 367 R HA -0.102 4.239 4.340 0.000 0.000 0.232 367 R C 2.048 178.332 176.300 -0.028 0.000 1.126 367 R CA 2.095 58.226 56.100 0.051 0.000 0.963 367 R CB -0.677 29.652 30.300 0.049 0.000 0.858 367 R HN -0.052 nan 8.270 nan 0.000 0.435 368 T N 1.011 115.490 114.554 -0.125 0.000 2.737 368 T HA -0.114 4.236 4.350 0.000 0.000 0.265 368 T C 1.520 176.118 174.700 -0.169 0.000 1.038 368 T CA 1.138 63.144 62.100 -0.157 0.000 1.144 368 T CB -0.258 68.474 68.868 -0.227 0.000 0.866 368 T HN 0.098 nan 8.240 nan 0.000 0.434 369 L N 1.463 122.495 121.223 -0.320 0.000 2.127 369 L HA -0.093 4.247 4.340 0.000 0.000 0.211 369 L C 2.528 179.427 176.870 0.049 0.000 1.089 369 L CA 1.670 56.391 54.840 -0.199 0.000 0.757 369 L CB -0.775 41.067 42.059 -0.362 0.000 0.899 369 L HN 0.150 nan 8.230 nan 0.000 0.434 370 Q N -0.503 119.324 119.800 0.045 0.000 2.061 370 Q HA -0.219 4.121 4.340 0.000 0.000 0.204 370 Q C 2.178 178.210 176.000 0.055 0.000 0.984 370 Q CA 2.647 58.491 55.803 0.068 0.000 0.846 370 Q CB -0.690 28.083 28.738 0.059 0.000 0.902 370 Q HN 0.638 nan 8.270 nan 0.000 0.421 371 T N -2.431 112.152 114.554 0.049 0.000 3.118 371 T HA -0.045 4.305 4.350 0.000 0.000 0.260 371 T C 1.358 176.109 174.700 0.085 0.000 1.139 371 T CA 0.670 62.797 62.100 0.046 0.000 1.085 371 T CB -0.389 68.499 68.868 0.033 0.000 0.934 371 T HN 0.308 nan 8.240 nan 0.000 0.518 372 F N 2.591 122.505 119.950 -0.059 0.000 2.374 372 F HA 0.405 4.932 4.527 0.000 0.000 0.291 372 F C 0.746 176.520 175.800 -0.044 0.000 1.084 372 F CA -1.516 56.446 58.000 -0.063 0.000 1.413 372 F CB 0.017 38.965 39.000 -0.088 0.000 1.099 372 F HN 0.257 nan 8.300 nan 0.000 0.534 373 I N 0.981 121.497 120.570 -0.091 0.000 2.752 373 I HA 0.248 4.418 4.170 0.000 0.000 0.287 373 I C -0.110 175.887 176.117 -0.200 0.000 1.188 373 I CA -0.215 60.983 61.300 -0.169 0.000 1.427 373 I CB 0.565 38.567 38.000 0.003 0.000 1.365 373 I HN 0.116 nan 8.210 nan 0.000 0.585 374 R N 5.276 125.643 120.500 -0.221 0.000 2.837 374 R HA 0.603 4.943 4.340 0.000 0.000 0.271 374 R C -2.735 173.504 176.300 -0.103 0.000 0.993 374 R CA -1.791 54.210 56.100 -0.166 0.000 0.931 374 R CB 2.006 32.175 30.300 -0.218 0.000 1.206 374 R HN 0.425 nan 8.270 nan 0.000 0.474 375 P HA 0.061 nan 4.420 nan 0.000 0.267 375 P C 0.030 177.308 177.300 -0.036 0.000 1.201 375 P CA 1.181 64.256 63.100 -0.042 0.000 0.775 375 P CB 0.588 32.270 31.700 -0.031 0.000 0.854 376 G N 0.415 109.204 108.800 -0.018 0.000 2.179 376 G HA2 -0.206 3.754 3.960 0.000 0.000 0.260 376 G HA3 -0.206 3.754 3.960 0.000 0.000 0.260 376 G C 0.062 174.948 174.900 -0.024 0.000 0.977 376 G CA -0.100 44.993 45.100 -0.013 0.000 0.641 376 G HN 0.510 nan 8.290 nan 0.000 0.533 377 D N -0.038 120.342 120.400 -0.032 0.000 2.339 377 D HA 0.535 5.175 4.640 0.000 0.000 0.245 377 D C 0.812 177.107 176.300 -0.008 0.000 1.115 377 D CA 0.136 54.114 54.000 -0.037 0.000 0.917 377 D CB 0.804 41.577 40.800 -0.045 0.000 1.192 377 D HN 0.258 nan 8.370 nan 0.000 0.428 378 I N 2.637 123.196 120.570 -0.018 0.000 2.420 378 I HA 0.285 4.455 4.170 0.000 0.000 0.282 378 I C -0.362 175.748 176.117 -0.012 0.000 1.019 378 I CA -0.465 60.827 61.300 -0.015 0.000 1.130 378 I CB 0.957 38.932 38.000 -0.041 0.000 1.262 378 I HN 0.055 nan 8.210 nan 0.000 0.454 379 I N 7.127 127.697 120.570 -0.001 0.000 2.378 379 I HA 0.416 4.586 4.170 0.000 0.000 0.291 379 I C -0.876 175.110 176.117 -0.219 0.000 0.992 379 I CA -0.753 60.529 61.300 -0.030 0.000 1.154 379 I CB 1.664 39.729 38.000 0.110 0.000 1.315 379 I HN 0.294 nan 8.210 nan 0.000 0.448 380 L N 6.276 127.395 121.223 -0.174 0.000 2.362 380 L HA 0.815 5.155 4.340 0.000 0.000 0.275 380 L C -0.173 176.592 176.870 -0.176 0.000 0.998 380 L CA -0.323 54.382 54.840 -0.225 0.000 0.820 380 L CB 1.880 43.852 42.059 -0.144 0.000 1.270 380 L HN 0.673 nan 8.230 nan 0.000 0.415 381 A N 1.453 124.135 122.820 -0.231 0.000 2.374 381 A HA 0.645 4.965 4.320 0.000 0.000 0.305 381 A C -1.011 176.507 177.584 -0.109 0.000 1.053 381 A CA -0.579 51.388 52.037 -0.116 0.000 0.726 381 A CB 1.091 20.036 19.000 -0.092 0.000 1.229 381 A HN 0.618 nan 8.150 nan 0.000 0.431 382 D N 0.577 120.939 120.400 -0.064 0.000 2.411 382 D HA 0.311 4.951 4.640 0.000 0.000 0.251 382 D C 0.076 176.307 176.300 -0.116 0.000 1.201 382 D CA 0.056 54.016 54.000 -0.067 0.000 0.996 382 D CB 0.916 41.690 40.800 -0.044 0.000 1.101 382 D HN 0.521 nan 8.370 nan 0.000 0.504 383 Q N -0.408 119.324 119.800 -0.114 0.000 2.386 383 Q HA 0.407 4.747 4.340 0.000 0.000 0.282 383 Q C 0.390 176.364 176.000 -0.044 0.000 1.050 383 Q CA 1.169 56.898 55.803 -0.123 0.000 0.918 383 Q CB 0.446 29.139 28.738 -0.075 0.000 1.266 383 Q HN 0.683 nan 8.270 nan 0.000 0.423 384 G N 0.497 109.322 108.800 0.042 0.000 2.378 384 G HA2 -0.242 3.718 3.960 0.000 0.000 0.198 384 G HA3 -0.242 3.718 3.960 0.000 0.000 0.198 384 G C 0.572 175.595 174.900 0.205 0.000 1.223 384 G CA 0.152 45.345 45.100 0.154 0.000 1.088 384 G HN 0.806 nan 8.290 nan 0.000 0.530 385 T N -1.353 113.312 114.554 0.185 0.000 2.833 385 T HA -0.011 4.339 4.350 0.000 0.000 0.269 385 T C 2.401 177.265 174.700 0.273 0.000 1.054 385 T CA 2.642 64.883 62.100 0.234 0.000 1.135 385 T CB -0.439 68.553 68.868 0.207 0.000 0.869 385 T HN 0.822 nan 8.240 nan 0.000 0.466 386 S N 1.970 117.799 115.700 0.215 0.000 2.354 386 S HA -0.003 4.467 4.470 0.000 0.000 0.219 386 S C 2.669 177.309 174.600 0.067 0.000 1.035 386 S CA 1.306 59.688 58.200 0.304 0.000 1.037 386 S CB -1.028 62.260 63.200 0.147 0.000 0.956 386 S HN 0.779 nan 8.310 nan 0.000 0.428 387 A N 0.770 123.488 122.820 -0.169 0.000 1.877 387 A HA -0.037 4.283 4.320 0.000 0.000 0.216 387 A C 1.691 178.977 177.584 -0.497 0.000 1.186 387 A CA 1.512 53.308 52.037 -0.402 0.000 0.620 387 A CB -0.836 17.748 19.000 -0.695 0.000 0.822 387 A HN 0.502 nan 8.150 nan 0.000 0.443 388 F N -0.055 119.857 119.950 -0.064 0.000 2.811 388 F HA 0.214 4.741 4.527 0.000 0.000 0.301 388 F C 2.157 177.807 175.800 -0.250 0.000 1.151 388 F CA 0.259 58.191 58.000 -0.115 0.000 1.412 388 F CB -0.419 38.541 39.000 -0.067 0.000 1.113 388 F HN 0.259 nan 8.300 nan 0.000 0.579 389 G N -0.652 107.917 108.800 -0.385 0.000 2.641 389 G HA2 0.123 4.083 3.960 0.000 0.000 0.207 389 G HA3 0.123 4.083 3.960 0.000 0.000 0.207 389 G C 1.801 175.805 174.900 -1.494 0.000 1.137 389 G CA 0.524 44.962 45.100 -1.103 0.000 0.824 389 G HN 0.288 nan 8.290 nan 0.000 0.547 390 A N 0.746 122.832 122.820 -1.224 0.000 2.125 390 A HA 0.122 4.442 4.320 0.000 0.000 0.219 390 A C 2.175 179.618 177.584 -0.235 0.000 1.156 390 A CA 0.926 52.627 52.037 -0.561 0.000 0.671 390 A CB -0.367 18.653 19.000 0.032 0.000 0.794 390 A HN 0.413 nan 8.150 nan 0.000 0.459 391 I N -0.698 119.737 120.570 -0.225 0.000 2.700 391 I HA -0.189 3.981 4.170 0.000 0.000 0.261 391 I C 0.671 176.698 176.117 -0.150 0.000 1.219 391 I CA 1.464 62.676 61.300 -0.147 0.000 1.463 391 I CB -0.041 37.935 38.000 -0.040 0.000 1.092 391 I HN 0.216 nan 8.210 nan 0.000 0.452 392 D N 0.669 120.961 120.400 -0.180 0.000 2.339 392 D HA 0.161 4.801 4.640 0.000 0.000 0.217 392 D C 0.667 176.930 176.300 -0.061 0.000 1.050 392 D CA 0.112 54.054 54.000 -0.098 0.000 0.856 392 D CB 0.208 40.954 40.800 -0.089 0.000 0.922 392 D HN 0.291 nan 8.370 nan 0.000 0.518 393 L N 1.412 122.581 121.223 -0.090 0.000 2.513 393 L HA 0.083 4.423 4.340 0.000 0.000 0.272 393 L C 1.044 177.880 176.870 -0.056 0.000 1.187 393 L CA 0.127 54.953 54.840 -0.024 0.000 0.895 393 L CB 0.630 42.706 42.059 0.027 0.000 1.147 393 L HN -0.322 nan 8.230 nan 0.000 0.483 394 R N 4.683 125.167 120.500 -0.025 0.000 2.248 394 R HA 0.341 4.681 4.340 0.000 0.000 0.337 394 R C -0.747 175.496 176.300 -0.095 0.000 1.106 394 R CA -0.480 55.587 56.100 -0.056 0.000 0.959 394 R CB 0.240 30.528 30.300 -0.021 0.000 1.075 394 R HN 0.557 nan 8.270 nan 0.000 0.480 395 L N 7.000 128.128 121.223 -0.160 0.000 2.349 395 L HA 0.335 4.675 4.340 0.000 0.000 0.275 395 L C -1.927 174.862 176.870 -0.135 0.000 1.115 395 L CA -1.957 52.804 54.840 -0.130 0.000 0.820 395 L CB 0.965 42.932 42.059 -0.153 0.000 1.135 395 L HN 0.407 nan 8.230 nan 0.000 0.445 396 P HA 0.189 nan 4.420 nan 0.000 0.307 396 P C -0.822 176.444 177.300 -0.056 0.000 1.306 396 P CA -0.450 62.609 63.100 -0.068 0.000 0.742 396 P CB 0.492 32.160 31.700 -0.053 0.000 1.349 397 A N -0.649 122.150 122.820 -0.035 0.000 2.257 397 A HA 0.312 4.632 4.320 0.000 0.000 0.289 397 A C -0.006 177.576 177.584 -0.002 0.000 1.095 397 A CA -0.210 51.819 52.037 -0.013 0.000 0.836 397 A CB -0.908 18.088 19.000 -0.006 0.000 1.111 397 A HN 0.686 nan 8.150 nan 0.000 0.497 398 D N -1.321 119.090 120.400 0.018 0.000 2.692 398 D HA -0.145 4.495 4.640 0.000 0.000 0.233 398 D C -0.326 175.985 176.300 0.019 0.000 1.172 398 D CA 1.406 55.422 54.000 0.027 0.000 0.636 398 D CB -1.247 39.568 40.800 0.025 0.000 1.028 398 D HN 0.779 nan 8.370 nan 0.000 0.419 399 V N 0.231 120.159 119.914 0.023 0.000 2.495 399 V HA 0.367 4.487 4.120 0.000 0.000 0.298 399 V C -0.246 175.887 176.094 0.065 0.000 1.031 399 V CA -0.988 61.334 62.300 0.036 0.000 0.871 399 V CB 2.041 33.888 31.823 0.039 0.000 0.988 399 V HN 0.206 nan 8.190 nan 0.000 0.432 400 N N 5.201 123.938 118.700 0.063 0.000 2.462 400 N HA 0.345 5.085 4.740 0.000 0.000 0.242 400 N C -1.407 174.175 175.510 0.120 0.000 1.010 400 N CA -0.584 52.509 53.050 0.071 0.000 0.939 400 N CB 0.572 39.072 38.487 0.021 0.000 1.127 400 N HN 0.699 nan 8.380 nan 0.000 0.509 401 F N 6.226 126.178 119.950 0.002 0.000 2.350 401 F HA 0.445 4.972 4.527 -0.000 0.000 0.365 401 F C -0.596 175.215 175.800 0.020 0.000 1.122 401 F CA -0.715 57.292 58.000 0.011 0.000 1.139 401 F CB 0.396 39.402 39.000 0.009 0.000 1.220 401 F HN 0.353 nan 8.300 nan 0.000 0.499 402 I N 7.588 127.956 120.570 -0.337 0.000 2.312 402 I HA 0.423 4.593 4.170 0.000 0.000 0.290 402 I C -0.738 175.198 176.117 -0.301 0.000 1.008 402 I CA -0.781 60.399 61.300 -0.199 0.000 1.226 402 I CB 1.310 39.263 38.000 -0.078 0.000 1.371 402 I HN 0.328 nan 8.210 nan 0.000 0.468 403 V N 6.435 126.248 119.914 -0.167 0.000 3.078 403 V HA 0.405 4.525 4.120 0.000 0.000 0.311 403 V C -0.987 175.032 176.094 -0.125 0.000 1.138 403 V CA -0.283 61.924 62.300 -0.155 0.000 1.007 403 V CB 2.510 34.260 31.823 -0.121 0.000 1.045 403 V HN 0.837 nan 8.190 nan 0.000 0.432 404 Q N 4.440 124.128 119.800 -0.186 0.000 3.075 404 Q HA 0.406 4.746 4.340 0.000 0.000 0.318 404 Q C -2.284 173.612 176.000 -0.175 0.000 0.907 404 Q CA -1.523 54.127 55.803 -0.254 0.000 0.882 404 Q CB 1.714 30.134 28.738 -0.531 0.000 1.386 404 Q HN 0.608 nan 8.270 nan 0.000 0.408 405 P HA -0.130 nan 4.420 nan 0.000 0.219 405 P C 1.037 178.308 177.300 -0.048 0.000 1.150 405 P CA 0.474 63.529 63.100 -0.075 0.000 0.814 405 P CB 0.323 31.997 31.700 -0.043 0.000 0.787 406 L N -1.288 119.893 121.223 -0.071 0.000 2.034 406 L HA 0.021 4.361 4.340 0.000 0.000 0.203 406 L C 2.190 179.116 176.870 0.092 0.000 1.074 406 L CA 1.692 56.529 54.840 -0.005 0.000 0.748 406 L CB -1.658 40.372 42.059 -0.049 0.000 0.905 406 L HN 0.038 nan 8.230 nan 0.000 0.439 407 W N 0.918 122.146 121.300 -0.120 0.000 2.379 407 W HA -0.032 4.628 4.660 0.000 0.000 0.307 407 W C 1.197 177.663 176.519 -0.089 0.000 1.200 407 W CA 1.222 58.513 57.345 -0.090 0.000 1.297 407 W CB -0.148 29.245 29.460 -0.112 0.000 1.140 407 W HN 0.448 nan 8.180 nan 0.000 0.507 408 G N 1.736 110.461 108.800 -0.124 0.000 2.338 408 G HA2 -0.292 3.668 3.960 0.000 0.000 0.296 408 G HA3 -0.292 3.668 3.960 0.000 0.000 0.296 408 G C -0.164 174.567 174.900 -0.281 0.000 1.040 408 G CA 0.572 45.551 45.100 -0.202 0.000 1.004 408 G HN 0.309 nan 8.290 nan 0.000 0.509 409 S N 0.052 115.606 115.700 -0.243 0.000 2.411 409 S HA 0.578 5.048 4.470 0.000 0.000 0.294 409 S C 1.068 175.625 174.600 -0.073 0.000 1.115 409 S CA -0.507 57.602 58.200 -0.153 0.000 1.071 409 S CB -0.027 63.221 63.200 0.080 0.000 0.967 409 S HN 1.164 nan 8.310 nan 0.000 0.488 410 I N 2.771 123.294 120.570 -0.080 0.000 2.692 410 I HA 0.582 4.752 4.170 0.000 0.000 0.284 410 I C 1.217 177.322 176.117 -0.019 0.000 1.159 410 I CA 0.588 61.854 61.300 -0.057 0.000 1.423 410 I CB 0.166 38.121 38.000 -0.075 0.000 1.380 410 I HN 0.824 nan 8.210 nan 0.000 0.580 411 G N 4.050 112.827 108.800 -0.038 0.000 2.259 411 G HA2 -0.376 3.584 3.960 0.000 0.000 0.217 411 G HA3 -0.376 3.584 3.960 0.000 0.000 0.217 411 G C 0.501 175.268 174.900 -0.220 0.000 1.001 411 G CA 0.498 45.584 45.100 -0.022 0.000 0.627 411 G HN 0.954 nan 8.290 nan 0.000 0.501 412 Y N 2.678 122.611 120.300 -0.611 0.000 2.081 412 Y HA -0.170 4.380 4.550 0.000 0.000 0.280 412 Y C 3.089 178.691 175.900 -0.495 0.000 1.163 412 Y CA 3.834 61.286 58.100 -1.079 0.000 1.135 412 Y CB -0.651 37.351 38.460 -0.764 0.000 0.970 412 Y HN 0.573 nan 8.280 nan 0.000 0.498 413 T N -0.852 113.490 114.554 -0.353 0.000 2.720 413 T HA -0.274 4.076 4.350 0.000 0.000 0.268 413 T C 1.870 176.400 174.700 -0.284 0.000 1.037 413 T CA 1.654 63.546 62.100 -0.348 0.000 1.144 413 T CB -1.056 67.744 68.868 -0.113 0.000 0.864 413 T HN 0.365 nan 8.240 nan 0.000 0.444 414 L N 1.744 122.866 121.223 -0.169 0.000 2.042 414 L HA 0.193 4.533 4.340 0.000 0.000 0.210 414 L C 2.854 179.684 176.870 -0.067 0.000 1.076 414 L CA 1.950 56.746 54.840 -0.072 0.000 0.749 414 L CB -1.260 40.800 42.059 0.003 0.000 0.893 414 L HN 0.420 nan 8.230 nan 0.000 0.432 415 A N -0.855 121.902 122.820 -0.105 0.000 1.898 415 A HA 0.058 4.378 4.320 0.000 0.000 0.214 415 A C 2.434 179.957 177.584 -0.102 0.000 1.183 415 A CA 1.330 53.354 52.037 -0.021 0.000 0.622 415 A CB -1.067 18.009 19.000 0.126 0.000 0.824 415 A HN 0.531 nan 8.150 nan 0.000 0.444 416 A N 0.166 122.749 122.820 -0.395 0.000 1.940 416 A HA 0.097 4.417 4.320 0.000 0.000 0.219 416 A C 2.482 179.932 177.584 -0.225 0.000 1.176 416 A CA 2.172 53.926 52.037 -0.473 0.000 0.631 416 A CB -1.015 17.361 19.000 -1.040 0.000 0.814 416 A HN 1.056 nan 8.150 nan 0.000 0.446 417 A N -1.004 121.719 122.820 -0.162 0.000 1.908 417 A HA -0.105 4.215 4.320 0.000 0.000 0.218 417 A C 2.034 179.634 177.584 0.028 0.000 1.181 417 A CA 1.749 53.750 52.037 -0.061 0.000 0.627 417 A CB -0.783 18.198 19.000 -0.030 0.000 0.818 417 A HN 0.769 nan 8.150 nan 0.000 0.445 418 F N 1.342 121.242 119.950 -0.083 0.000 2.126 418 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 418 F C 2.244 178.045 175.800 0.002 0.000 1.096 418 F CA 1.470 59.452 58.000 -0.030 0.000 1.255 418 F CB -0.811 38.177 39.000 -0.020 0.000 0.997 418 F HN 0.177 nan 8.300 nan 0.000 0.479 419 G N -0.417 108.308 108.800 -0.124 0.000 2.402 419 G HA2 -0.167 3.793 3.960 0.000 0.000 0.216 419 G HA3 -0.167 3.793 3.960 0.000 0.000 0.216 419 G C 1.843 176.707 174.900 -0.058 0.000 1.162 419 G CA 0.840 45.826 45.100 -0.190 0.000 0.777 419 G HN 0.633 nan 8.290 nan 0.000 0.539 420 A N -0.012 122.752 122.820 -0.093 0.000 1.877 420 A HA -0.073 4.247 4.320 0.000 0.000 0.216 420 A C 2.373 179.886 177.584 -0.119 0.000 1.186 420 A CA 1.915 53.891 52.037 -0.103 0.000 0.620 420 A CB -0.476 18.470 19.000 -0.089 0.000 0.822 420 A HN 0.292 nan 8.150 nan 0.000 0.443 421 Q N -0.484 119.253 119.800 -0.106 0.000 2.112 421 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 421 Q C 2.232 178.140 176.000 -0.153 0.000 0.987 421 Q CA 2.186 57.926 55.803 -0.105 0.000 0.858 421 Q CB -1.000 27.702 28.738 -0.060 0.000 0.905 421 Q HN 0.679 nan 8.270 nan 0.000 0.420 422 T N 0.895 115.309 114.554 -0.233 0.000 2.803 422 T HA -0.120 4.230 4.350 0.000 0.000 0.269 422 T C 1.710 176.259 174.700 -0.252 0.000 1.052 422 T CA 1.372 63.296 62.100 -0.293 0.000 1.136 422 T CB -0.139 68.500 68.868 -0.382 0.000 0.864 422 T HN 0.412 nan 8.240 nan 0.000 0.467 423 A N -0.057 122.624 122.820 -0.232 0.000 1.975 423 A HA 0.104 4.424 4.320 0.000 0.000 0.215 423 A C 1.375 178.839 177.584 -0.202 0.000 1.170 423 A CA 0.447 52.250 52.037 -0.390 0.000 0.656 423 A CB -0.052 18.520 19.000 -0.712 0.000 0.821 423 A HN 0.570 nan 8.150 nan 0.000 0.449 424 C N -0.192 119.021 119.300 -0.144 0.000 3.003 424 C HA 0.403 4.863 4.460 0.000 0.000 0.241 424 C C -1.816 173.142 174.990 -0.053 0.000 1.224 424 C CA -0.888 58.080 59.018 -0.083 0.000 1.560 424 C CB 0.347 28.038 27.740 -0.081 0.000 1.768 424 C HN 0.363 nan 8.230 nan 0.000 0.440 425 P HA -0.097 nan 4.420 nan 0.000 0.219 425 P C 0.848 178.170 177.300 0.036 0.000 1.146 425 P CA 1.478 64.574 63.100 -0.006 0.000 0.808 425 P CB 0.105 31.812 31.700 0.013 0.000 0.779 426 N N -0.624 118.100 118.700 0.041 0.000 2.320 426 N HA 0.116 4.856 4.740 0.000 0.000 0.237 426 N C 0.149 175.701 175.510 0.070 0.000 1.129 426 N CA 0.131 53.231 53.050 0.083 0.000 0.854 426 N CB 0.499 39.029 38.487 0.071 0.000 1.083 426 N HN 0.228 nan 8.380 nan 0.000 0.504 427 R N 0.443 120.950 120.500 0.010 0.000 2.670 427 R HA 0.355 4.695 4.340 0.000 0.000 0.289 427 R C -0.100 176.109 176.300 -0.152 0.000 0.965 427 R CA -0.765 55.314 56.100 -0.034 0.000 0.899 427 R CB 2.381 32.657 30.300 -0.039 0.000 1.173 427 R HN -0.020 nan 8.270 nan 0.000 0.456 428 R N 2.109 122.480 120.500 -0.216 0.000 2.316 428 R HA 0.173 4.513 4.340 0.000 0.000 0.314 428 R C -0.861 175.324 176.300 -0.190 0.000 1.069 428 R CA -0.140 55.720 56.100 -0.401 0.000 0.959 428 R CB 0.588 30.706 30.300 -0.303 0.000 0.987 428 R HN 0.288 nan 8.270 nan 0.000 0.446 429 V N 7.252 127.070 119.914 -0.162 0.000 2.350 429 V HA 0.273 4.393 4.120 0.000 0.000 0.276 429 V C -0.183 175.910 176.094 -0.003 0.000 1.028 429 V CA -0.686 61.575 62.300 -0.064 0.000 0.860 429 V CB 1.267 33.060 31.823 -0.050 0.000 0.990 429 V HN 0.617 nan 8.190 nan 0.000 0.453 430 I N 5.905 126.492 120.570 0.029 0.000 2.312 430 I HA 0.346 4.516 4.170 0.000 0.000 0.290 430 I C -0.022 176.128 176.117 0.054 0.000 1.008 430 I CA -0.067 61.285 61.300 0.087 0.000 1.226 430 I CB 1.755 39.848 38.000 0.156 0.000 1.371 430 I HN 0.299 nan 8.210 nan 0.000 0.468 431 V N 7.664 127.610 119.914 0.053 0.000 2.347 431 V HA 0.391 4.511 4.120 0.000 0.000 0.280 431 V C -0.001 176.117 176.094 0.040 0.000 1.021 431 V CA -0.622 61.692 62.300 0.024 0.000 0.847 431 V CB 1.049 32.880 31.823 0.014 0.000 0.990 431 V HN 0.413 nan 8.190 nan 0.000 0.444 432 L N 4.927 126.181 121.223 0.052 0.000 2.277 432 L HA 0.624 4.964 4.340 0.000 0.000 0.284 432 L C 0.170 177.060 176.870 0.033 0.000 1.028 432 L CA 0.176 55.073 54.840 0.095 0.000 0.835 432 L CB 1.473 43.684 42.059 0.253 0.000 1.215 432 L HN 0.700 nan 8.230 nan 0.000 0.425 433 T N 1.768 116.306 114.554 -0.027 0.000 2.909 433 T HA 0.656 5.006 4.350 0.000 0.000 0.299 433 T C 0.131 174.757 174.700 -0.123 0.000 1.073 433 T CA -0.355 61.709 62.100 -0.061 0.000 0.999 433 T CB 1.684 70.513 68.868 -0.066 0.000 1.098 433 T HN 0.608 nan 8.240 nan 0.000 0.477 434 G N 1.658 110.402 108.800 -0.094 0.000 2.599 434 G HA2 0.327 4.287 3.960 0.000 0.000 0.264 434 G HA3 0.327 4.287 3.960 0.000 0.000 0.264 434 G C 0.810 175.595 174.900 -0.190 0.000 1.200 434 G CA -0.106 44.922 45.100 -0.121 0.000 0.896 434 G HN 0.844 nan 8.290 nan 0.000 0.536 435 D N -0.360 119.900 120.400 -0.234 0.000 2.183 435 D HA -0.053 4.587 4.640 0.000 0.000 0.203 435 D C 2.129 178.440 176.300 0.018 0.000 0.969 435 D CA 1.177 55.016 54.000 -0.269 0.000 0.842 435 D CB -0.783 39.902 40.800 -0.190 0.000 0.957 435 D HN 0.459 nan 8.370 nan 0.000 0.484 436 G N 0.843 109.679 108.800 0.061 0.000 2.404 436 G HA2 -0.096 3.864 3.960 0.000 0.000 0.215 436 G HA3 -0.096 3.864 3.960 0.000 0.000 0.215 436 G C 1.819 176.805 174.900 0.143 0.000 1.174 436 G CA 1.516 46.739 45.100 0.205 0.000 0.780 436 G HN 0.490 nan 8.290 nan 0.000 0.537 437 A N 1.413 124.280 122.820 0.078 0.000 1.865 437 A HA 0.177 4.497 4.320 0.000 0.000 0.217 437 A C 2.830 180.455 177.584 0.067 0.000 1.191 437 A CA 2.534 54.595 52.037 0.039 0.000 0.623 437 A CB -1.001 17.998 19.000 -0.002 0.000 0.826 437 A HN 0.927 nan 8.150 nan 0.000 0.444 438 A N -0.793 122.076 122.820 0.081 0.000 2.024 438 A HA -0.238 4.082 4.320 0.000 0.000 0.220 438 A C 2.056 179.813 177.584 0.288 0.000 1.164 438 A CA 1.695 53.845 52.037 0.188 0.000 0.643 438 A CB -0.582 18.548 19.000 0.216 0.000 0.806 438 A HN 0.713 nan 8.150 nan 0.000 0.451 439 Q N -0.975 118.924 119.800 0.165 0.000 2.167 439 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 439 Q C 1.720 177.839 176.000 0.199 0.000 0.970 439 Q CA 1.187 57.009 55.803 0.031 0.000 0.855 439 Q CB -0.289 28.198 28.738 -0.420 0.000 0.911 439 Q HN 0.598 nan 8.270 nan 0.000 0.438 440 L N -0.051 121.263 121.223 0.150 0.000 2.201 440 L HA -0.097 4.243 4.340 0.000 0.000 0.212 440 L C 1.974 178.952 176.870 0.181 0.000 1.105 440 L CA 1.692 56.626 54.840 0.158 0.000 0.775 440 L CB -0.231 41.910 42.059 0.137 0.000 0.913 440 L HN 0.283 nan 8.230 nan 0.000 0.440 441 T N -5.311 109.354 114.554 0.185 0.000 3.337 441 T HA 0.167 4.517 4.350 0.000 0.000 0.299 441 T C 1.428 176.217 174.700 0.148 0.000 0.998 441 T CA -0.303 61.898 62.100 0.167 0.000 0.948 441 T CB -0.313 68.662 68.868 0.177 0.000 1.170 441 T HN -0.059 nan 8.240 nan 0.000 0.508 442 I N 3.117 123.815 120.570 0.213 0.000 2.185 442 I HA -0.276 3.894 4.170 0.000 0.000 0.246 442 I C 2.588 178.763 176.117 0.098 0.000 1.088 442 I CA 2.035 63.467 61.300 0.221 0.000 1.347 442 I CB -0.247 37.959 38.000 0.343 0.000 1.041 442 I HN 0.452 nan 8.210 nan 0.000 0.415 443 Q N -0.283 119.551 119.800 0.057 0.000 2.376 443 Q HA -0.262 4.078 4.340 0.000 0.000 0.211 443 Q C 1.663 177.625 176.000 -0.063 0.000 0.986 443 Q CA 1.624 57.422 55.803 -0.008 0.000 0.886 443 Q CB -0.803 27.929 28.738 -0.010 0.000 0.927 443 Q HN 0.509 nan 8.270 nan 0.000 0.457 444 E N 0.759 120.917 120.200 -0.069 0.000 2.358 444 E HA -0.015 4.335 4.350 0.000 0.000 0.195 444 E C 1.600 178.061 176.600 -0.230 0.000 1.010 444 E CA 0.077 56.352 56.400 -0.208 0.000 0.856 444 E CB -0.245 29.351 29.700 -0.172 0.000 0.795 444 E HN 0.344 nan 8.360 nan 0.000 0.504 445 L N -0.688 120.487 121.223 -0.081 0.000 2.201 445 L HA 0.047 4.387 4.340 0.000 0.000 0.212 445 L C 1.891 178.724 176.870 -0.062 0.000 1.105 445 L CA 1.970 56.791 54.840 -0.032 0.000 0.775 445 L CB -0.683 41.405 42.059 0.049 0.000 0.913 445 L HN 0.166 nan 8.230 nan 0.000 0.440 446 G N -1.816 106.931 108.800 -0.088 0.000 2.448 446 G HA2 -0.173 3.787 3.960 0.000 0.000 0.218 446 G HA3 -0.173 3.787 3.960 0.000 0.000 0.218 446 G C 1.529 176.359 174.900 -0.117 0.000 1.135 446 G CA 0.755 45.808 45.100 -0.078 0.000 0.784 446 G HN 0.469 nan 8.290 nan 0.000 0.543 447 S N 0.312 115.857 115.700 -0.259 0.000 2.414 447 S HA 0.031 4.501 4.470 0.000 0.000 0.227 447 S C 2.363 176.844 174.600 -0.199 0.000 1.022 447 S CA 0.791 58.764 58.200 -0.378 0.000 0.958 447 S CB -0.166 62.468 63.200 -0.943 0.000 0.797 447 S HN 0.342 nan 8.310 nan 0.000 0.493 448 M N 0.640 120.142 119.600 -0.163 0.000 2.086 448 M HA -0.085 4.395 4.480 0.000 0.000 0.261 448 M C 1.744 178.102 176.300 0.097 0.000 1.067 448 M CA 1.177 56.555 55.300 0.130 0.000 1.116 448 M CB -0.479 32.192 32.600 0.118 0.000 1.348 448 M HN 0.219 nan 8.290 nan 0.000 0.407 449 L N 0.180 121.428 121.223 0.041 0.000 1.994 449 L HA -0.177 4.163 4.340 0.000 0.000 0.208 449 L C 2.534 179.434 176.870 0.049 0.000 1.071 449 L CA 1.851 56.720 54.840 0.047 0.000 0.745 449 L CB -1.230 40.844 42.059 0.026 0.000 0.892 449 L HN 0.323 nan 8.230 nan 0.000 0.431 450 R N -0.226 120.295 120.500 0.035 0.000 2.103 450 R HA -0.180 4.160 4.340 0.000 0.000 0.242 450 R C 0.984 177.327 176.300 0.071 0.000 1.142 450 R CA 1.824 57.951 56.100 0.046 0.000 0.960 450 R CB -0.154 30.167 30.300 0.035 0.000 0.858 450 R HN 0.364 nan 8.270 nan 0.000 0.439 451 D N 0.616 121.081 120.400 0.109 0.000 2.328 451 D HA 0.022 4.662 4.640 0.000 0.000 0.226 451 D C -0.177 176.153 176.300 0.049 0.000 1.066 451 D CA 0.281 54.346 54.000 0.108 0.000 0.861 451 D CB 0.190 41.104 40.800 0.190 0.000 0.912 451 D HN 0.179 nan 8.370 nan 0.000 0.521 452 K N 0.950 121.373 120.400 0.038 0.000 3.257 452 K HA -0.220 4.100 4.320 0.000 0.000 0.270 452 K C -0.146 176.326 176.600 -0.213 0.000 0.984 452 K CA 0.397 56.674 56.287 -0.017 0.000 0.739 452 K CB -1.371 31.139 32.500 0.015 0.000 1.351 452 K HN 0.392 nan 8.250 nan 0.000 0.463 453 Q N 0.302 120.027 119.800 -0.124 0.000 2.312 453 Q HA 0.197 4.537 4.340 0.000 0.000 0.236 453 Q C 0.264 176.154 176.000 -0.184 0.000 0.965 453 Q CA -0.414 55.278 55.803 -0.186 0.000 0.894 453 Q CB 0.706 29.459 28.738 0.025 0.000 1.225 453 Q HN 0.253 nan 8.270 nan 0.000 0.478 454 H N 0.758 119.906 119.070 0.130 0.000 2.429 454 H HA 0.270 4.826 4.556 0.000 0.000 0.237 454 H C -2.285 173.117 175.328 0.125 0.000 1.378 454 H CA -2.004 54.139 56.048 0.159 0.000 1.170 454 H CB -0.106 29.802 29.762 0.243 0.000 1.671 454 H HN 0.443 nan 8.280 nan 0.000 0.541 455 P HA 0.140 nan 4.420 nan 0.000 0.279 455 P C 0.283 177.670 177.300 0.146 0.000 1.252 455 P CA -0.748 62.418 63.100 0.109 0.000 0.811 455 P CB 1.932 33.682 31.700 0.084 0.000 1.035 456 I N 1.728 122.375 120.570 0.128 0.000 2.330 456 I HA 0.370 4.540 4.170 0.000 0.000 0.286 456 I C -0.772 175.408 176.117 0.106 0.000 1.025 456 I CA -0.826 60.561 61.300 0.144 0.000 1.197 456 I CB -0.271 37.837 38.000 0.180 0.000 1.358 456 I HN 0.130 nan 8.210 nan 0.000 0.467 457 I N 7.744 128.374 120.570 0.101 0.000 2.321 457 I HA 0.318 4.488 4.170 0.000 0.000 0.291 457 I C -0.942 175.201 176.117 0.043 0.000 0.998 457 I CA -0.679 60.663 61.300 0.070 0.000 1.227 457 I CB 1.211 39.258 38.000 0.079 0.000 1.368 457 I HN 0.440 nan 8.210 nan 0.000 0.466 458 L N 7.697 128.926 121.223 0.011 0.000 2.298 458 L HA 0.400 4.740 4.340 0.000 0.000 0.284 458 L C -0.278 176.516 176.870 -0.126 0.000 1.013 458 L CA -0.412 54.408 54.840 -0.033 0.000 0.824 458 L CB 1.555 43.624 42.059 0.017 0.000 1.221 458 L HN 0.259 nan 8.230 nan 0.000 0.418 459 V N 4.893 124.675 119.914 -0.220 0.000 2.348 459 V HA 0.270 4.390 4.120 0.000 0.000 0.270 459 V C 0.380 176.211 176.094 -0.439 0.000 1.037 459 V CA -0.552 61.500 62.300 -0.412 0.000 0.872 459 V CB 1.143 32.535 31.823 -0.717 0.000 1.002 459 V HN 0.484 nan 8.190 nan 0.000 0.464 460 L N 4.870 125.854 121.223 -0.400 0.000 2.454 460 L HA 0.274 4.614 4.340 0.000 0.000 0.284 460 L C 0.624 177.289 176.870 -0.342 0.000 1.139 460 L CA -0.036 54.561 54.840 -0.405 0.000 0.911 460 L CB -0.214 41.624 42.059 -0.368 0.000 1.262 460 L HN 0.568 nan 8.230 nan 0.000 0.453 461 N N 3.764 122.270 118.700 -0.324 0.000 2.439 461 N HA 0.034 4.774 4.740 0.000 0.000 0.243 461 N C 0.128 175.557 175.510 -0.134 0.000 1.088 461 N CA -0.257 52.658 53.050 -0.224 0.000 0.940 461 N CB 0.452 38.839 38.487 -0.167 0.000 1.180 461 N HN 0.533 nan 8.380 nan 0.000 0.505 462 N N 1.833 120.469 118.700 -0.106 0.000 2.351 462 N HA 0.087 4.827 4.740 0.000 0.000 0.254 462 N C -0.892 174.586 175.510 -0.053 0.000 1.241 462 N CA -0.363 52.644 53.050 -0.073 0.000 0.883 462 N CB -0.223 38.224 38.487 -0.066 0.000 1.202 462 N HN 0.427 nan 8.380 nan 0.000 0.512 463 E N -0.344 119.830 120.200 -0.044 0.000 2.252 463 E HA -0.144 4.206 4.350 0.000 0.000 0.218 463 E C 0.312 176.850 176.600 -0.103 0.000 1.253 463 E CA 0.690 57.061 56.400 -0.048 0.000 0.705 463 E CB -1.713 27.965 29.700 -0.037 0.000 1.172 463 E HN 0.802 nan 8.360 nan 0.000 0.369 464 G N -0.327 108.394 108.800 -0.133 0.000 2.293 464 G HA2 -0.023 3.937 3.960 0.000 0.000 0.282 464 G HA3 -0.023 3.937 3.960 0.000 0.000 0.282 464 G C -1.450 173.392 174.900 -0.098 0.000 1.299 464 G CA -0.729 44.218 45.100 -0.254 0.000 1.018 464 G HN 0.113 nan 8.290 nan 0.000 0.478 465 Y N 1.944 122.240 120.300 -0.007 0.000 2.724 465 Y HA 0.398 4.948 4.550 -0.000 0.000 0.332 465 Y C 2.214 178.122 175.900 0.013 0.000 1.276 465 Y CA -0.164 57.941 58.100 0.007 0.000 1.597 465 Y CB -0.024 38.454 38.460 0.030 0.000 1.584 465 Y HN 0.772 nan 8.280 nan 0.000 0.478 466 T N -3.206 111.427 114.554 0.133 0.000 2.881 466 T HA -0.168 4.182 4.350 0.000 0.000 0.270 466 T C 1.715 176.470 174.700 0.093 0.000 1.068 466 T CA 1.561 63.711 62.100 0.084 0.000 1.131 466 T CB -0.700 68.197 68.868 0.048 0.000 0.871 466 T HN 0.362 nan 8.240 nan 0.000 0.479 467 V N 0.399 120.379 119.914 0.110 0.000 2.407 467 V HA -0.068 4.052 4.120 0.000 0.000 0.248 467 V C 2.723 178.865 176.094 0.080 0.000 1.055 467 V CA 1.592 63.945 62.300 0.089 0.000 1.049 467 V CB -0.868 31.017 31.823 0.103 0.000 0.662 467 V HN 0.309 nan 8.190 nan 0.000 0.455 468 E N 0.909 121.178 120.200 0.114 0.000 2.072 468 E HA -0.124 4.226 4.350 0.000 0.000 0.191 468 E C 2.426 179.115 176.600 0.149 0.000 0.985 468 E CA 1.189 57.669 56.400 0.133 0.000 0.801 468 E CB -0.367 29.446 29.700 0.189 0.000 0.750 468 E HN 0.636 nan 8.360 nan 0.000 0.452 469 R N 0.632 121.208 120.500 0.127 0.000 2.105 469 R HA -0.059 4.281 4.340 0.000 0.000 0.239 469 R C 2.281 178.608 176.300 0.046 0.000 1.135 469 R CA 1.232 57.374 56.100 0.071 0.000 0.967 469 R CB -0.363 29.957 30.300 0.033 0.000 0.861 469 R HN 0.097 nan 8.270 nan 0.000 0.442 470 A N 0.938 123.786 122.820 0.047 0.000 2.015 470 A HA -0.086 4.234 4.320 0.000 0.000 0.219 470 A C 2.069 179.671 177.584 0.030 0.000 1.163 470 A CA 1.049 53.101 52.037 0.025 0.000 0.646 470 A CB -0.281 18.730 19.000 0.018 0.000 0.806 470 A HN 0.175 nan 8.150 nan 0.000 0.448 471 I N -2.482 118.123 120.570 0.058 0.000 2.400 471 I HA 0.042 4.212 4.170 0.000 0.000 0.248 471 I C 1.024 177.242 176.117 0.167 0.000 1.109 471 I CA 0.803 62.149 61.300 0.077 0.000 1.425 471 I CB 0.089 38.128 38.000 0.066 0.000 1.094 471 I HN 0.454 nan 8.210 nan 0.000 0.425 472 H N -0.383 118.722 119.070 0.060 0.000 3.114 472 H HA 0.213 4.769 4.556 -0.000 0.000 0.325 472 H C -0.228 175.181 175.328 0.135 0.000 1.206 472 H CA 0.194 56.291 56.048 0.082 0.000 1.316 472 H CB 1.406 31.215 29.762 0.078 0.000 1.981 472 H HN 0.201 nan 8.280 nan 0.000 0.527 473 G N 2.187 110.777 108.800 -0.350 0.000 2.324 473 G HA2 -0.182 3.778 3.960 0.000 0.000 0.292 473 G HA3 -0.182 3.778 3.960 0.000 0.000 0.292 473 G C 1.141 175.955 174.900 -0.144 0.000 1.079 473 G CA 0.640 45.644 45.100 -0.159 0.000 1.026 473 G HN 1.054 nan 8.290 nan 0.000 0.506 474 A N -0.358 122.388 122.820 -0.123 0.000 1.986 474 A HA -0.001 4.319 4.320 0.000 0.000 0.220 474 A C 1.850 179.365 177.584 -0.115 0.000 1.171 474 A CA 2.047 54.032 52.037 -0.087 0.000 0.640 474 A CB -0.116 18.843 19.000 -0.069 0.000 0.811 474 A HN 0.694 nan 8.150 nan 0.000 0.451 475 E N -0.415 119.699 120.200 -0.143 0.000 2.499 475 E HA 0.088 4.438 4.350 0.000 0.000 0.199 475 E C -0.413 176.068 176.600 -0.198 0.000 1.016 475 E CA -0.350 55.966 56.400 -0.141 0.000 0.933 475 E CB 0.307 29.946 29.700 -0.102 0.000 1.050 475 E HN 0.492 nan 8.360 nan 0.000 0.462 476 Q N 0.855 120.459 119.800 -0.327 0.000 2.288 476 Q HA 0.146 4.486 4.340 0.000 0.000 0.254 476 Q C 0.839 176.535 176.000 -0.506 0.000 0.932 476 Q CA 0.105 55.594 55.803 -0.522 0.000 0.902 476 Q CB 1.531 29.636 28.738 -1.056 0.000 1.203 476 Q HN 0.168 nan 8.270 nan 0.000 0.415 477 R N 2.310 122.618 120.500 -0.321 0.000 2.127 477 R HA -0.212 4.128 4.340 0.000 0.000 0.238 477 R C 1.518 177.753 176.300 -0.109 0.000 1.134 477 R CA 1.861 57.863 56.100 -0.163 0.000 0.975 477 R CB -0.121 30.144 30.300 -0.058 0.000 0.865 477 R HN 0.679 nan 8.270 nan 0.000 0.447 478 Y N -1.466 118.852 120.300 0.030 0.000 2.639 478 Y HA 0.124 4.674 4.550 -0.000 0.000 0.297 478 Y C 0.887 176.845 175.900 0.096 0.000 1.151 478 Y CA 0.223 58.360 58.100 0.061 0.000 1.335 478 Y CB -0.477 38.031 38.460 0.079 0.000 0.994 478 Y HN 0.002 nan 8.280 nan 0.000 0.548 479 N N 0.414 119.130 118.700 0.027 0.000 2.280 479 N HA 0.008 4.748 4.740 0.000 0.000 0.192 479 N C -0.713 174.663 175.510 -0.224 0.000 1.109 479 N CA 0.257 53.359 53.050 0.086 0.000 0.855 479 N CB 0.096 38.617 38.487 0.056 0.000 0.974 479 N HN 0.417 nan 8.380 nan 0.000 0.482 480 D N 0.718 120.988 120.400 -0.216 0.000 2.340 480 D HA 0.419 5.059 4.640 0.000 0.000 0.251 480 D C 0.772 176.865 176.300 -0.344 0.000 1.080 480 D CA -0.277 53.569 54.000 -0.256 0.000 0.971 480 D CB 1.853 42.564 40.800 -0.148 0.000 1.137 480 D HN 0.093 nan 8.370 nan 0.000 0.475 481 I N -3.425 116.959 120.570 -0.309 0.000 3.095 481 I HA 0.689 4.859 4.170 0.000 0.000 0.310 481 I C -0.652 175.360 176.117 -0.175 0.000 1.196 481 I CA -1.555 59.574 61.300 -0.284 0.000 0.985 481 I CB 1.914 39.675 38.000 -0.398 0.000 1.250 481 I HN 0.269 nan 8.210 nan 0.000 0.446 482 A N 4.276 127.013 122.820 -0.138 0.000 2.520 482 A HA 0.411 4.731 4.320 0.000 0.000 0.245 482 A C -0.094 177.434 177.584 -0.093 0.000 1.072 482 A CA -0.070 51.944 52.037 -0.038 0.000 0.761 482 A CB -0.203 18.865 19.000 0.112 0.000 1.004 482 A HN 0.648 nan 8.150 nan 0.000 0.499 483 L N 3.544 124.777 121.223 0.017 0.000 2.325 483 L HA 0.177 4.517 4.340 0.000 0.000 0.284 483 L C -0.389 176.581 176.870 0.167 0.000 1.089 483 L CA -0.495 54.376 54.840 0.050 0.000 0.836 483 L CB 0.127 42.213 42.059 0.045 0.000 1.184 483 L HN 0.714 nan 8.230 nan 0.000 0.444 484 W N 2.086 123.251 121.300 -0.225 0.000 2.332 484 W HA 0.214 4.874 4.660 0.000 0.000 0.351 484 W C 0.734 176.978 176.519 -0.458 0.000 1.195 484 W CA -1.228 55.815 57.345 -0.504 0.000 1.334 484 W CB 0.428 29.249 29.460 -1.065 0.000 1.206 484 W HN 0.437 nan 8.180 nan 0.000 0.637 485 N N 1.274 119.858 118.700 -0.193 0.000 3.234 485 N HA 0.077 4.817 4.740 0.000 0.000 0.272 485 N C 0.472 175.979 175.510 -0.005 0.000 1.254 485 N CA -0.423 52.575 53.050 -0.088 0.000 1.087 485 N CB 0.052 38.429 38.487 -0.183 0.000 1.356 485 N HN 0.352 nan 8.380 nan 0.000 0.511 486 W N 0.288 121.695 121.300 0.177 0.000 2.290 486 W HA -0.289 4.371 4.660 -0.000 0.000 0.318 486 W C 2.732 179.334 176.519 0.138 0.000 1.248 486 W CA 1.683 59.131 57.345 0.172 0.000 1.263 486 W CB -0.890 28.660 29.460 0.150 0.000 1.147 486 W HN 0.413 nan 8.180 nan 0.000 0.494 487 T N -3.400 111.377 114.554 0.373 0.000 3.025 487 T HA -0.209 4.141 4.350 0.000 0.000 0.270 487 T C 1.004 175.748 174.700 0.073 0.000 1.126 487 T CA 1.707 63.931 62.100 0.206 0.000 1.105 487 T CB -0.581 68.380 68.868 0.155 0.000 0.884 487 T HN 0.239 nan 8.240 nan 0.000 0.522 488 H N -0.520 118.558 119.070 0.013 0.000 2.586 488 H HA 0.492 5.048 4.556 0.000 0.000 0.273 488 H C 1.718 177.010 175.328 -0.060 0.000 0.997 488 H CA -0.479 55.546 56.048 -0.039 0.000 1.177 488 H CB -0.183 29.542 29.762 -0.062 0.000 1.471 488 H HN 0.342 nan 8.280 nan 0.000 0.538 489 I N 0.861 121.465 120.570 0.056 0.000 2.202 489 I HA -0.133 4.037 4.170 0.000 0.000 0.242 489 I C -0.611 175.500 176.117 -0.009 0.000 1.091 489 I CA 0.888 62.182 61.300 -0.010 0.000 1.368 489 I CB -0.912 37.109 38.000 0.035 0.000 1.058 489 I HN 0.186 nan 8.210 nan 0.000 0.410 490 P HA -0.217 nan 4.420 nan 0.000 0.215 490 P C 1.139 178.425 177.300 -0.024 0.000 1.157 490 P CA 1.330 64.430 63.100 0.000 0.000 0.874 490 P CB -0.201 31.500 31.700 0.003 0.000 0.790 491 Q N -1.130 118.644 119.800 -0.043 0.000 2.515 491 Q HA 0.057 4.397 4.340 0.000 0.000 0.212 491 Q C 1.498 177.474 176.000 -0.039 0.000 0.970 491 Q CA 1.360 57.135 55.803 -0.047 0.000 0.941 491 Q CB -0.713 27.981 28.738 -0.072 0.000 0.998 491 Q HN 0.196 nan 8.270 nan 0.000 0.518 492 A N 0.821 123.616 122.820 -0.043 0.000 2.035 492 A HA 0.236 4.556 4.320 0.000 0.000 0.208 492 A C 1.732 179.282 177.584 -0.056 0.000 1.206 492 A CA -0.093 51.910 52.037 -0.057 0.000 0.773 492 A CB 0.141 19.088 19.000 -0.089 0.000 0.878 492 A HN 0.277 nan 8.150 nan 0.000 0.469 493 L N 0.044 121.238 121.223 -0.048 0.000 2.728 493 L HA 0.300 4.640 4.340 0.000 0.000 0.235 493 L C 0.375 177.229 176.870 -0.026 0.000 1.197 493 L CA 0.097 54.912 54.840 -0.042 0.000 0.992 493 L CB 0.092 42.127 42.059 -0.040 0.000 1.263 493 L HN 0.284 nan 8.230 nan 0.000 0.484 494 S N -0.969 114.717 115.700 -0.022 0.000 2.543 494 S HA 0.421 4.891 4.470 0.000 0.000 0.274 494 S C 0.196 174.788 174.600 -0.013 0.000 1.149 494 S CA -0.638 57.555 58.200 -0.012 0.000 0.866 494 S CB 1.288 64.487 63.200 -0.003 0.000 1.111 494 S HN 0.135 nan 8.310 nan 0.000 0.457 495 L N 1.612 122.831 121.223 -0.007 0.000 2.446 495 L HA 0.387 4.727 4.340 0.000 0.000 0.219 495 L C 0.419 177.285 176.870 -0.006 0.000 1.116 495 L CA 0.494 55.329 54.840 -0.008 0.000 0.844 495 L CB 0.153 42.210 42.059 -0.004 0.000 0.970 495 L HN 0.596 nan 8.230 nan 0.000 0.457 496 D N 0.089 120.488 120.400 -0.001 0.000 2.586 496 D HA 0.194 4.834 4.640 0.000 0.000 0.254 496 D C -2.571 173.734 176.300 0.010 0.000 1.248 496 D CA -1.384 52.618 54.000 0.002 0.000 0.843 496 D CB 1.264 42.069 40.800 0.009 0.000 1.332 496 D HN -0.140 nan 8.370 nan 0.000 0.523 497 P HA 0.094 nan 4.420 nan 0.000 0.264 497 P C 0.027 177.340 177.300 0.022 0.000 1.229 497 P CA -0.100 63.005 63.100 0.010 0.000 0.780 497 P CB 0.433 32.125 31.700 -0.013 0.000 0.808 498 Q N 1.765 121.598 119.800 0.056 0.000 3.179 498 Q HA 0.134 4.474 4.340 0.000 0.000 0.328 498 Q C 0.154 176.210 176.000 0.094 0.000 1.336 498 Q CA 0.243 56.094 55.803 0.081 0.000 0.939 498 Q CB -0.463 28.358 28.738 0.140 0.000 1.658 498 Q HN 0.463 nan 8.270 nan 0.000 0.486 499 S N -0.810 114.915 115.700 0.041 0.000 2.599 499 S HA 0.663 5.133 4.470 0.000 0.000 0.287 499 S C -0.421 174.150 174.600 -0.048 0.000 1.105 499 S CA -0.951 57.269 58.200 0.033 0.000 0.899 499 S CB 2.735 65.954 63.200 0.032 0.000 1.100 499 S HN 0.067 nan 8.310 nan 0.000 0.482 500 E N 0.612 120.776 120.200 -0.060 0.000 2.216 500 E HA 0.456 4.806 4.350 0.000 0.000 0.260 500 E C -1.302 175.028 176.600 -0.449 0.000 0.880 500 E CA -0.381 55.829 56.400 -0.317 0.000 0.765 500 E CB 1.684 31.302 29.700 -0.137 0.000 1.174 500 E HN 0.750 nan 8.360 nan 0.000 0.417 501 C N 3.621 122.524 119.300 -0.661 0.000 2.411 501 C HA 0.630 5.090 4.460 0.000 0.000 0.330 501 C C -0.437 174.191 174.990 -0.602 0.000 1.224 501 C CA -0.775 58.003 59.018 -0.399 0.000 1.770 501 C CB 0.793 28.413 27.740 -0.200 0.000 2.297 501 C HN 0.614 nan 8.230 nan 0.000 0.507 502 W N 1.163 122.479 121.300 0.027 0.000 3.127 502 W HA 0.513 5.173 4.660 -0.000 0.000 0.330 502 W C -0.322 176.217 176.519 0.033 0.000 1.187 502 W CA -0.653 56.705 57.345 0.022 0.000 1.198 502 W CB 1.561 31.023 29.460 0.003 0.000 1.408 502 W HN 0.523 nan 8.180 nan 0.000 0.529 503 R N 2.207 122.861 120.500 0.257 0.000 2.337 503 R HA 0.566 4.906 4.340 0.000 0.000 0.319 503 R C -1.478 174.903 176.300 0.136 0.000 0.954 503 R CA -0.286 55.913 56.100 0.166 0.000 0.840 503 R CB 1.460 31.843 30.300 0.138 0.000 1.164 503 R HN 0.286 nan 8.270 nan 0.000 0.472 504 V N 3.355 123.321 119.914 0.086 0.000 2.547 504 V HA 0.284 4.404 4.120 0.000 0.000 0.299 504 V C 0.594 176.697 176.094 0.015 0.000 1.040 504 V CA -0.090 62.236 62.300 0.043 0.000 0.913 504 V CB 1.896 33.725 31.823 0.011 0.000 0.992 504 V HN 1.006 nan 8.190 nan 0.000 0.449 505 S N 1.293 117.000 115.700 0.012 0.000 2.744 505 S HA 0.347 4.817 4.470 0.000 0.000 0.265 505 S C -0.004 174.596 174.600 0.000 0.000 1.065 505 S CA -0.496 57.706 58.200 0.002 0.000 1.191 505 S CB 0.479 63.685 63.200 0.011 0.000 1.150 505 S HN 0.629 nan 8.310 nan 0.000 0.646 506 E N 1.058 121.258 120.200 0.000 0.000 2.288 506 E HA 0.701 5.051 4.350 0.000 0.000 0.268 506 E C 0.715 177.310 176.600 -0.009 0.000 0.885 506 E CA -0.306 56.093 56.400 -0.002 0.000 0.767 506 E CB 1.632 31.331 29.700 -0.001 0.000 1.220 506 E HN 0.114 nan 8.360 nan 0.000 0.427 507 A N 2.730 125.546 122.820 -0.007 0.000 1.892 507 A HA -0.302 4.018 4.320 0.000 0.000 0.218 507 A C 1.717 179.279 177.584 -0.037 0.000 1.188 507 A CA 2.321 54.347 52.037 -0.018 0.000 0.631 507 A CB -0.565 18.428 19.000 -0.011 0.000 0.822 507 A HN 0.694 nan 8.150 nan 0.000 0.447 508 E N -0.110 120.073 120.200 -0.028 0.000 2.033 508 E HA -0.284 4.066 4.350 0.000 0.000 0.199 508 E C 2.242 178.810 176.600 -0.053 0.000 1.011 508 E CA 1.800 58.179 56.400 -0.035 0.000 0.815 508 E CB -0.393 29.294 29.700 -0.021 0.000 0.755 508 E HN 0.773 nan 8.360 nan 0.000 0.451 509 Q N 0.365 120.138 119.800 -0.045 0.000 2.077 509 Q HA -0.195 4.145 4.340 0.000 0.000 0.206 509 Q C 2.361 178.293 176.000 -0.113 0.000 0.989 509 Q CA 1.213 56.978 55.803 -0.063 0.000 0.853 509 Q CB -0.334 28.387 28.738 -0.028 0.000 0.907 509 Q HN 0.311 nan 8.270 nan 0.000 0.418 510 L N 0.597 121.762 121.223 -0.097 0.000 1.970 510 L HA -0.226 4.114 4.340 0.000 0.000 0.212 510 L C 2.278 179.030 176.870 -0.196 0.000 1.071 510 L CA 2.139 56.897 54.840 -0.136 0.000 0.751 510 L CB -0.978 41.030 42.059 -0.085 0.000 0.889 510 L HN 0.263 nan 8.230 nan 0.000 0.432 511 A N -0.409 122.320 122.820 -0.152 0.000 1.940 511 A HA -0.326 3.994 4.320 0.000 0.000 0.219 511 A C 1.915 179.411 177.584 -0.147 0.000 1.176 511 A CA 2.130 54.081 52.037 -0.142 0.000 0.631 511 A CB -0.851 18.097 19.000 -0.087 0.000 0.814 511 A HN 0.637 nan 8.150 nan 0.000 0.446 512 D N -0.563 119.751 120.400 -0.143 0.000 2.088 512 D HA -0.136 4.504 4.640 0.000 0.000 0.191 512 D C 1.809 177.963 176.300 -0.244 0.000 0.992 512 D CA 1.891 55.801 54.000 -0.150 0.000 0.831 512 D CB -0.117 40.607 40.800 -0.127 0.000 0.973 512 D HN 0.132 nan 8.370 nan 0.000 0.447 513 V N 0.636 120.331 119.914 -0.365 0.000 2.594 513 V HA -0.203 3.917 4.120 0.000 0.000 0.253 513 V C 2.543 178.333 176.094 -0.507 0.000 1.069 513 V CA 1.042 62.967 62.300 -0.625 0.000 1.082 513 V CB -0.526 30.808 31.823 -0.814 0.000 0.680 513 V HN 0.325 nan 8.190 nan 0.000 0.469 514 L N -0.161 120.818 121.223 -0.407 0.000 2.046 514 L HA -0.203 4.137 4.340 0.000 0.000 0.208 514 L C 2.639 179.421 176.870 -0.147 0.000 1.077 514 L CA 2.019 56.574 54.840 -0.475 0.000 0.747 514 L CB -0.448 41.228 42.059 -0.638 0.000 0.896 514 L HN 0.412 nan 8.230 nan 0.000 0.432 515 E N 0.361 120.516 120.200 -0.075 0.000 2.152 515 E HA -0.204 4.146 4.350 0.000 0.000 0.192 515 E C 1.980 178.593 176.600 0.021 0.000 0.983 515 E CA 0.783 57.207 56.400 0.039 0.000 0.818 515 E CB 0.212 29.922 29.700 0.017 0.000 0.758 515 E HN 0.392 nan 8.360 nan 0.000 0.467 516 K N 0.009 120.353 120.400 -0.093 0.000 2.362 516 K HA -0.083 4.237 4.320 0.000 0.000 0.200 516 K C 1.843 178.428 176.600 -0.026 0.000 1.046 516 K CA 1.227 57.461 56.287 -0.089 0.000 0.952 516 K CB 0.370 32.725 32.500 -0.242 0.000 0.753 516 K HN 0.179 nan 8.250 nan 0.000 0.466 517 V N -4.652 115.249 119.914 -0.022 0.000 3.556 517 V HA 0.342 4.462 4.120 0.000 0.000 0.287 517 V C 1.671 177.886 176.094 0.203 0.000 1.422 517 V CA 0.380 62.731 62.300 0.086 0.000 1.038 517 V CB 0.401 32.250 31.823 0.042 0.000 0.850 517 V HN 0.033 nan 8.190 nan 0.000 0.437 518 A N 0.435 123.399 122.820 0.241 0.000 2.266 518 A HA -0.238 4.082 4.320 0.000 0.000 0.219 518 A C 1.583 179.067 177.584 -0.166 0.000 1.178 518 A CA 2.435 54.574 52.037 0.170 0.000 0.678 518 A CB -1.023 18.019 19.000 0.070 0.000 0.789 518 A HN 0.873 nan 8.150 nan 0.000 0.486 519 H N -1.536 117.605 119.070 0.119 0.000 2.923 519 H HA 0.127 4.683 4.556 0.000 0.000 0.268 519 H C 0.069 175.229 175.328 -0.280 0.000 1.148 519 H CA 0.175 56.200 56.048 -0.040 0.000 1.146 519 H CB 0.080 29.785 29.762 -0.094 0.000 1.607 519 H HN 0.780 nan 8.280 nan 0.000 0.566 520 H N 0.466 119.618 119.070 0.136 0.000 2.262 520 H HA -0.188 4.368 4.556 0.000 0.000 0.319 520 H C -0.415 174.920 175.328 0.011 0.000 0.947 520 H CA 0.826 56.944 56.048 0.116 0.000 1.060 520 H CB -1.793 28.063 29.762 0.157 0.000 1.605 520 H HN 0.577 nan 8.280 nan 0.000 0.346 521 E N 0.864 121.006 120.200 -0.097 0.000 2.489 521 E HA 0.233 4.583 4.350 0.000 0.000 0.193 521 E C 0.616 176.864 176.600 -0.586 0.000 1.057 521 E CA 0.297 56.523 56.400 -0.291 0.000 0.866 521 E CB 0.542 30.159 29.700 -0.140 0.000 0.916 521 E HN 0.604 nan 8.360 nan 0.000 0.500 522 R N -0.449 119.836 120.500 -0.358 0.000 2.712 522 R HA 0.251 4.591 4.340 0.000 0.000 0.272 522 R C -1.620 174.812 176.300 0.219 0.000 1.032 522 R CA -1.099 54.917 56.100 -0.139 0.000 0.874 522 R CB 0.851 31.154 30.300 0.004 0.000 1.256 522 R HN -0.043 nan 8.270 nan 0.000 0.468 523 L N 2.127 123.548 121.223 0.330 0.000 2.534 523 L HA 0.189 4.529 4.340 0.000 0.000 0.271 523 L C -0.543 176.450 176.870 0.205 0.000 1.178 523 L CA 0.791 55.784 54.840 0.255 0.000 0.907 523 L CB 0.570 42.748 42.059 0.198 0.000 1.164 523 L HN 0.650 nan 8.230 nan 0.000 0.482 524 S N 5.676 121.511 115.700 0.225 0.000 2.519 524 S HA 0.687 5.157 4.470 0.000 0.000 0.309 524 S C -0.858 173.881 174.600 0.232 0.000 1.100 524 S CA -0.915 57.451 58.200 0.276 0.000 1.059 524 S CB 1.657 65.071 63.200 0.358 0.000 1.008 524 S HN 0.606 nan 8.310 nan 0.000 0.478 525 L N 3.905 125.264 121.223 0.226 0.000 2.325 525 L HA 0.655 4.995 4.340 0.000 0.000 0.281 525 L C -1.283 175.726 176.870 0.231 0.000 1.004 525 L CA -0.983 53.968 54.840 0.185 0.000 0.823 525 L CB 0.799 42.950 42.059 0.155 0.000 1.236 525 L HN 0.821 nan 8.230 nan 0.000 0.415 526 I N 4.636 125.307 120.570 0.167 0.000 2.354 526 I HA 0.321 4.491 4.170 0.000 0.000 0.286 526 I C -0.051 176.094 176.117 0.047 0.000 1.007 526 I CA -0.500 60.891 61.300 0.151 0.000 1.167 526 I CB 1.559 39.603 38.000 0.073 0.000 1.320 526 I HN 0.625 nan 8.210 nan 0.000 0.458 527 E N 6.879 127.120 120.200 0.069 0.000 2.052 527 E HA 0.273 4.623 4.350 0.000 0.000 0.283 527 E C -1.174 175.396 176.600 -0.051 0.000 1.071 527 E CA -0.499 55.886 56.400 -0.026 0.000 0.851 527 E CB 0.997 30.749 29.700 0.086 0.000 1.066 527 E HN 0.392 nan 8.360 nan 0.000 0.396 528 V N 6.700 126.521 119.914 -0.154 0.000 2.334 528 V HA 0.149 4.269 4.120 0.000 0.000 0.267 528 V C 0.258 176.234 176.094 -0.196 0.000 1.040 528 V CA -0.660 61.534 62.300 -0.176 0.000 0.866 528 V CB 0.805 32.441 31.823 -0.312 0.000 1.019 528 V HN 0.800 nan 8.190 nan 0.000 0.468 529 M N 6.662 126.196 119.600 -0.110 0.000 2.227 529 M HA 0.444 4.924 4.480 0.000 0.000 0.349 529 M C -0.526 175.707 176.300 -0.112 0.000 1.443 529 M CA 0.457 55.705 55.300 -0.088 0.000 1.110 529 M CB 0.023 32.604 32.600 -0.032 0.000 1.773 529 M HN 0.412 nan 8.290 nan 0.000 0.463 530 L N 4.407 125.557 121.223 -0.121 0.000 2.350 530 L HA 0.586 4.926 4.340 0.000 0.000 0.260 530 L C -2.251 174.578 176.870 -0.068 0.000 1.015 530 L CA -2.062 52.710 54.840 -0.113 0.000 0.821 530 L CB 2.562 44.513 42.059 -0.180 0.000 1.370 530 L HN 0.412 nan 8.230 nan 0.000 0.416 531 P HA 0.051 nan 4.420 nan 0.000 0.268 531 P C -0.006 177.278 177.300 -0.026 0.000 1.204 531 P CA -0.248 62.836 63.100 -0.027 0.000 0.768 531 P CB 0.725 32.418 31.700 -0.012 0.000 0.842 532 K N 3.088 123.473 120.400 -0.025 0.000 2.152 532 K HA -0.183 4.137 4.320 0.000 0.000 0.206 532 K C 1.225 177.818 176.600 -0.013 0.000 1.048 532 K CA 1.845 58.117 56.287 -0.025 0.000 0.933 532 K CB -0.293 32.189 32.500 -0.031 0.000 0.721 532 K HN 0.486 nan 8.250 nan 0.000 0.447 533 A N 0.476 123.291 122.820 -0.008 0.000 2.390 533 A HA 0.065 4.385 4.320 0.000 0.000 0.232 533 A C -0.179 177.412 177.584 0.012 0.000 1.233 533 A CA -0.302 51.735 52.037 0.000 0.000 0.907 533 A CB 0.154 19.150 19.000 -0.006 0.000 0.967 533 A HN 0.289 nan 8.150 nan 0.000 0.512 534 D N 0.661 121.069 120.400 0.014 0.000 2.382 534 D HA 0.331 4.971 4.640 0.000 0.000 0.259 534 D C -0.997 175.336 176.300 0.055 0.000 1.224 534 D CA 0.529 54.548 54.000 0.032 0.000 0.894 534 D CB 0.271 41.087 40.800 0.026 0.000 1.127 534 D HN 0.098 nan 8.370 nan 0.000 0.487 535 I N 5.179 125.787 120.570 0.064 0.000 2.608 535 I HA 0.349 4.519 4.170 0.000 0.000 0.295 535 I C -2.170 174.007 176.117 0.100 0.000 1.049 535 I CA -2.401 58.947 61.300 0.081 0.000 1.063 535 I CB 2.142 40.171 38.000 0.048 0.000 1.248 535 I HN 0.249 nan 8.210 nan 0.000 0.424 536 P HA 0.252 nan 4.420 nan 0.000 0.272 536 P C -2.153 175.181 177.300 0.056 0.000 1.223 536 P CA -0.900 62.271 63.100 0.120 0.000 0.784 536 P CB 0.158 31.927 31.700 0.115 0.000 0.923 537 P HA -0.244 nan 4.420 nan 0.000 0.212 537 P C 1.481 178.770 177.300 -0.018 0.000 1.174 537 P CA 1.078 64.184 63.100 0.011 0.000 0.934 537 P CB -0.297 31.410 31.700 0.011 0.000 0.791 538 L N -0.990 120.218 121.223 -0.025 0.000 1.997 538 L HA -0.203 4.137 4.340 0.000 0.000 0.216 538 L C 2.241 179.038 176.870 -0.122 0.000 1.074 538 L CA 1.868 56.672 54.840 -0.060 0.000 0.763 538 L CB -1.625 40.420 42.059 -0.024 0.000 0.890 538 L HN -0.130 nan 8.230 nan 0.000 0.434 539 L N 0.229 121.392 121.223 -0.099 0.000 2.089 539 L HA -0.159 4.181 4.340 0.000 0.000 0.213 539 L C 2.343 179.122 176.870 -0.152 0.000 1.079 539 L CA 2.169 56.900 54.840 -0.182 0.000 0.758 539 L CB -1.529 40.518 42.059 -0.019 0.000 0.891 539 L HN 0.425 nan 8.230 nan 0.000 0.433 540 G N -1.439 107.312 108.800 -0.082 0.000 2.446 540 G HA2 -0.278 3.682 3.960 0.000 0.000 0.217 540 G HA3 -0.278 3.682 3.960 0.000 0.000 0.217 540 G C 1.606 176.451 174.900 -0.091 0.000 1.168 540 G CA 1.032 46.093 45.100 -0.066 0.000 0.771 540 G HN 0.658 nan 8.290 nan 0.000 0.551 541 A N 0.550 123.306 122.820 -0.106 0.000 1.851 541 A HA 0.006 4.326 4.320 0.000 0.000 0.216 541 A C 2.408 179.901 177.584 -0.151 0.000 1.195 541 A CA 1.783 53.752 52.037 -0.113 0.000 0.622 541 A CB -0.719 18.213 19.000 -0.113 0.000 0.831 541 A HN 0.455 nan 8.150 nan 0.000 0.444 542 L N -0.625 120.461 121.223 -0.228 0.000 2.081 542 L HA -0.154 4.186 4.340 0.000 0.000 0.212 542 L C 2.581 179.315 176.870 -0.226 0.000 1.080 542 L CA 2.670 57.336 54.840 -0.290 0.000 0.754 542 L CB -0.785 40.959 42.059 -0.525 0.000 0.893 542 L HN 0.413 nan 8.230 nan 0.000 0.433 543 T N -1.085 113.353 114.554 -0.193 0.000 2.746 543 T HA -0.234 4.116 4.350 0.000 0.000 0.267 543 T C 1.977 176.632 174.700 -0.075 0.000 1.039 543 T CA 1.656 63.685 62.100 -0.119 0.000 1.142 543 T CB -0.101 68.717 68.868 -0.084 0.000 0.866 543 T HN 0.323 nan 8.240 nan 0.000 0.444 544 K N 0.181 120.537 120.400 -0.072 0.000 2.148 544 K HA 0.070 4.390 4.320 0.000 0.000 0.204 544 K C 2.293 178.864 176.600 -0.047 0.000 1.050 544 K CA 0.985 57.244 56.287 -0.047 0.000 0.942 544 K CB -0.186 32.287 32.500 -0.044 0.000 0.724 544 K HN 0.293 nan 8.250 nan 0.000 0.446 545 A N 1.037 123.813 122.820 -0.073 0.000 1.929 545 A HA -0.046 4.274 4.320 0.000 0.000 0.216 545 A C 2.010 179.557 177.584 -0.062 0.000 1.176 545 A CA 0.808 52.803 52.037 -0.070 0.000 0.628 545 A CB -0.407 18.530 19.000 -0.104 0.000 0.816 545 A HN 0.254 nan 8.150 nan 0.000 0.444 546 L N -0.846 120.331 121.223 -0.077 0.000 2.046 546 L HA -0.192 4.148 4.340 0.000 0.000 0.208 546 L C 2.637 179.487 176.870 -0.033 0.000 1.077 546 L CA 1.922 56.724 54.840 -0.063 0.000 0.747 546 L CB -0.419 41.595 42.059 -0.075 0.000 0.896 546 L HN 0.540 nan 8.230 nan 0.000 0.432 547 E N 0.322 120.513 120.200 -0.015 0.000 2.208 547 E HA -0.147 4.203 4.350 0.000 0.000 0.193 547 E C 2.044 178.648 176.600 0.008 0.000 0.988 547 E CA 1.025 57.433 56.400 0.012 0.000 0.828 547 E CB 0.063 29.794 29.700 0.050 0.000 0.763 547 E HN 0.377 nan 8.360 nan 0.000 0.478 548 A N -0.222 122.596 122.820 -0.002 0.000 1.969 548 A HA -0.148 4.172 4.320 0.000 0.000 0.218 548 A C 2.320 179.906 177.584 0.003 0.000 1.169 548 A CA 1.262 53.301 52.037 0.002 0.000 0.635 548 A CB -0.750 18.248 19.000 -0.003 0.000 0.810 548 A HN 0.511 nan 8.150 nan 0.000 0.445 549 C N -0.074 119.225 119.300 -0.002 0.000 2.464 549 C HA 0.002 4.462 4.460 0.000 0.000 0.278 549 C C 2.312 177.298 174.990 -0.007 0.000 1.375 549 C CA 0.696 59.716 59.018 0.003 0.000 1.761 549 C CB -1.248 26.494 27.740 0.004 0.000 1.944 549 C HN 0.605 nan 8.230 nan 0.000 0.509 550 N N 1.586 120.274 118.700 -0.019 0.000 2.494 550 N HA 0.022 4.762 4.740 0.000 0.000 0.182 550 N C 0.229 175.723 175.510 -0.028 0.000 1.076 550 N CA 0.775 53.802 53.050 -0.038 0.000 0.908 550 N CB -0.121 38.325 38.487 -0.069 0.000 0.967 550 N HN 0.651 nan 8.380 nan 0.000 0.449 551 N N 0.000 118.695 118.700 -0.008 0.000 1.763 551 N HA 0.000 4.740 4.740 0.000 0.000 0.220 551 N CA 0.000 53.050 53.050 0.001 0.000 0.885 551 N CB 0.000 38.495 38.487 0.013 0.000 1.341 551 N HN 0.000 nan 8.380 nan 0.000 0.667