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 3hdy_1_J DATA FIRST_RESID 30 DATA SEQUENCE FDYLIVGAGF AGSVLAERLA SSGQRVLIVD RRPHIGGNAY DCYDDAGVLI DATA SEQUENCE HPYGPHIFHT NSKDVFEYLS RFTEWRPYQH RVLASVDGQL LPIPINLDTV DATA SEQUENCE NRLYGLNLTS FQVEEFFASV AEKVEQVRTS EDVVVSKVGR DLYNKFFRGY DATA SEQUENCE TRKQWGLDPS ELDASVTARV PTRTNRDNRY FADTYQAMPL HGYTRMFQNM DATA SEQUENCE LSSPNIKVML NTDYREIADF IPFQHMIYTG PVDAFFDFCY GKLPYRSLEF DATA SEQUENCE RHETHDTEQL LPTGTVNYPN DYAYTRVSEF KHITGQRHHQ TSVVYEYPRA DATA SEQUENCE EGDPYYPVPR PENAELYKKY EALADAAQDV TFVGRLATYR YYNMDQVVAQ DATA SEQUENCE ALATFRRLQ 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 30 F HA 0.000 nan 4.527 nan 0.000 0.279 30 F C 0.000 175.874 175.800 0.123 0.000 0.967 30 F CA 0.000 58.075 58.000 0.124 0.000 1.383 30 F CB 0.000 39.088 39.000 0.147 0.000 1.145 31 D N 0.228 120.828 120.400 0.334 0.000 2.137 31 D HA -0.018 4.622 4.640 -0.000 0.000 0.202 31 D C -0.484 175.846 176.300 0.050 0.000 0.970 31 D CA 1.861 55.965 54.000 0.174 0.000 0.837 31 D CB 0.138 41.087 40.800 0.249 0.000 0.981 31 D HN 0.297 nan 8.370 nan 0.000 0.475 32 Y N -0.415 120.039 120.300 0.257 0.000 2.391 32 Y HA 0.405 4.955 4.550 -0.000 0.000 0.341 32 Y C -0.658 175.281 175.900 0.066 0.000 0.965 32 Y CA -1.153 57.064 58.100 0.195 0.000 1.067 32 Y CB 2.049 40.589 38.460 0.135 0.000 1.199 32 Y HN -0.257 nan 8.280 nan 0.000 0.450 33 L N 5.549 126.833 121.223 0.103 0.000 2.276 33 L HA 0.580 4.920 4.340 -0.000 0.000 0.286 33 L C -1.183 175.586 176.870 -0.170 0.000 1.024 33 L CA -0.373 54.331 54.840 -0.227 0.000 0.826 33 L CB 0.221 41.784 42.059 -0.827 0.000 1.211 33 L HN 0.492 nan 8.230 nan 0.000 0.422 34 I N 5.897 126.375 120.570 -0.153 0.000 2.312 34 I HA 0.290 4.459 4.170 -0.000 0.000 0.290 34 I C -0.462 175.526 176.117 -0.216 0.000 1.008 34 I CA -0.893 60.320 61.300 -0.146 0.000 1.226 34 I CB 1.615 39.550 38.000 -0.108 0.000 1.371 34 I HN 0.198 nan 8.210 nan 0.000 0.468 35 V N 5.923 125.676 119.914 -0.269 0.000 2.339 35 V HA 0.702 4.822 4.120 -0.000 0.000 0.261 35 V C 0.557 176.433 176.094 -0.364 0.000 1.058 35 V CA -0.268 61.838 62.300 -0.323 0.000 0.897 35 V CB 0.188 31.745 31.823 -0.443 0.000 1.052 35 V HN 1.073 nan 8.190 nan 0.000 0.480 36 G N 3.872 112.504 108.800 -0.280 0.000 3.101 36 G HA2 0.343 4.303 3.960 -0.000 0.000 0.672 36 G HA3 0.343 4.303 3.960 -0.000 0.000 0.672 36 G C -0.134 174.623 174.900 -0.240 0.000 1.331 36 G CA -0.233 44.703 45.100 -0.274 0.000 0.925 36 G HN 1.109 nan 8.290 nan 0.000 0.596 37 A N 1.166 123.827 122.820 -0.264 0.000 2.465 37 A HA 0.737 5.057 4.320 -0.000 0.000 0.255 37 A C 1.607 178.953 177.584 -0.398 0.000 1.274 37 A CA 1.370 53.233 52.037 -0.291 0.000 0.920 37 A CB -0.147 18.675 19.000 -0.298 0.000 1.033 37 A HN 2.066 nan 8.150 nan 0.000 0.516 38 G N -1.157 107.451 108.800 -0.321 0.000 2.468 38 G HA2 0.320 4.280 3.960 -0.000 0.000 0.264 38 G HA3 0.320 4.280 3.960 -0.000 0.000 0.264 38 G C 0.640 175.454 174.900 -0.143 0.000 1.460 38 G CA -0.270 44.635 45.100 -0.324 0.000 1.060 38 G HN 0.166 nan 8.290 nan 0.000 0.543 39 F N 0.736 120.756 119.950 0.117 0.000 2.102 39 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 39 F C 3.087 178.956 175.800 0.115 0.000 1.105 39 F CA 1.725 59.871 58.000 0.243 0.000 1.239 39 F CB -0.265 38.868 39.000 0.222 0.000 0.991 39 F HN 0.346 nan 8.300 nan 0.000 0.474 40 A N 0.403 123.368 122.820 0.242 0.000 1.849 40 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 40 A C 2.520 180.135 177.584 0.052 0.000 1.202 40 A CA 2.175 54.288 52.037 0.126 0.000 0.629 40 A CB -1.683 17.362 19.000 0.075 0.000 0.834 40 A HN 0.422 nan 8.150 nan 0.000 0.447 41 G N -1.217 107.573 108.800 -0.017 0.000 2.433 41 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.216 41 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.216 41 G C 1.873 176.745 174.900 -0.046 0.000 1.186 41 G CA 1.374 46.434 45.100 -0.066 0.000 0.779 41 G HN 0.490 nan 8.290 nan 0.000 0.543 42 S N -0.180 115.508 115.700 -0.020 0.000 2.356 42 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 42 S C 2.512 177.113 174.600 0.002 0.000 1.032 42 S CA 1.167 59.364 58.200 -0.005 0.000 1.005 42 S CB -0.333 62.929 63.200 0.104 0.000 0.867 42 S HN 0.158 nan 8.310 nan 0.000 0.449 43 V N 1.730 121.697 119.914 0.088 0.000 2.332 43 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 43 V C 2.154 178.235 176.094 -0.021 0.000 1.055 43 V CA 1.584 63.947 62.300 0.105 0.000 1.038 43 V CB -0.571 31.343 31.823 0.151 0.000 0.651 43 V HN 0.378 nan 8.190 nan 0.000 0.450 44 L N -0.257 120.940 121.223 -0.043 0.000 2.027 44 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 44 L C 2.694 179.476 176.870 -0.145 0.000 1.074 44 L CA 1.621 56.403 54.840 -0.098 0.000 0.745 44 L CB -0.761 41.268 42.059 -0.049 0.000 0.898 44 L HN 0.322 nan 8.230 nan 0.000 0.433 45 A N -0.675 122.077 122.820 -0.113 0.000 1.948 45 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 45 A C 2.311 179.825 177.584 -0.116 0.000 1.177 45 A CA 1.991 53.961 52.037 -0.113 0.000 0.636 45 A CB -0.510 18.430 19.000 -0.099 0.000 0.815 45 A HN 0.453 nan 8.150 nan 0.000 0.449 46 E N -0.109 120.015 120.200 -0.127 0.000 2.015 46 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 46 E C 2.237 178.754 176.600 -0.138 0.000 0.991 46 E CA 0.840 57.167 56.400 -0.121 0.000 0.802 46 E CB -0.293 29.312 29.700 -0.159 0.000 0.759 46 E HN 0.406 nan 8.360 nan 0.000 0.447 47 R N 0.297 120.635 120.500 -0.270 0.000 2.113 47 R HA -0.175 4.165 4.340 -0.000 0.000 0.244 47 R C 2.470 178.473 176.300 -0.495 0.000 1.142 47 R CA 0.882 56.573 56.100 -0.682 0.000 0.953 47 R CB -1.000 28.408 30.300 -1.488 0.000 0.860 47 R HN 0.219 nan 8.270 nan 0.000 0.438 48 L N 0.282 121.351 121.223 -0.256 0.000 2.005 48 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 48 L C 2.586 179.466 176.870 0.018 0.000 1.072 48 L CA 2.010 56.826 54.840 -0.040 0.000 0.744 48 L CB -1.335 40.609 42.059 -0.191 0.000 0.895 48 L HN 0.148 nan 8.230 nan 0.000 0.433 49 A N -0.544 122.269 122.820 -0.013 0.000 1.908 49 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 49 A C 2.463 180.073 177.584 0.043 0.000 1.181 49 A CA 2.169 54.224 52.037 0.030 0.000 0.627 49 A CB -0.974 18.032 19.000 0.010 0.000 0.818 49 A HN 0.547 nan 8.150 nan 0.000 0.445 50 S N 0.044 115.758 115.700 0.023 0.000 2.515 50 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 50 S C 1.690 176.337 174.600 0.077 0.000 0.987 50 S CA 1.330 59.557 58.200 0.044 0.000 0.936 50 S CB -0.600 62.621 63.200 0.035 0.000 0.766 50 S HN 0.917 nan 8.310 nan 0.000 0.528 51 S N -0.258 115.507 115.700 0.109 0.000 2.575 51 S HA 0.514 4.984 4.470 -0.000 0.000 0.215 51 S C 1.517 176.192 174.600 0.125 0.000 0.966 51 S CA 0.423 58.717 58.200 0.157 0.000 0.911 51 S CB -0.214 63.147 63.200 0.268 0.000 0.780 51 S HN 1.349 nan 8.310 nan 0.000 0.514 52 G N 0.428 109.292 108.800 0.106 0.000 2.218 52 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 52 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 52 G C -0.098 174.873 174.900 0.119 0.000 0.994 52 G CA -0.273 44.886 45.100 0.099 0.000 0.637 52 G HN 0.489 nan 8.290 nan 0.000 0.505 53 Q N 0.820 120.709 119.800 0.147 0.000 2.361 53 Q HA 0.289 4.629 4.340 -0.000 0.000 0.276 53 Q C 0.549 176.665 176.000 0.193 0.000 1.022 53 Q CA 0.263 56.185 55.803 0.200 0.000 0.898 53 Q CB 0.602 29.492 28.738 0.254 0.000 1.246 53 Q HN 0.464 nan 8.270 nan 0.000 0.410 54 R N 1.143 121.784 120.500 0.236 0.000 2.221 54 R HA 0.397 4.737 4.340 -0.000 0.000 0.327 54 R C -0.743 175.781 176.300 0.374 0.000 1.033 54 R CA -0.336 55.934 56.100 0.283 0.000 0.887 54 R CB 0.802 31.265 30.300 0.270 0.000 1.057 54 R HN 0.288 nan 8.270 nan 0.000 0.455 55 V N 5.221 125.295 119.914 0.266 0.000 2.495 55 V HA 0.290 4.410 4.120 -0.000 0.000 0.298 55 V C -0.661 175.351 176.094 -0.138 0.000 1.031 55 V CA -0.940 61.435 62.300 0.125 0.000 0.871 55 V CB 1.879 33.730 31.823 0.046 0.000 0.988 55 V HN 0.480 nan 8.190 nan 0.000 0.432 56 L N 6.467 127.426 121.223 -0.439 0.000 2.276 56 L HA 0.625 4.965 4.340 -0.000 0.000 0.286 56 L C -0.621 176.027 176.870 -0.369 0.000 1.024 56 L CA 0.106 54.513 54.840 -0.722 0.000 0.826 56 L CB 0.904 42.134 42.059 -1.382 0.000 1.211 56 L HN 0.661 nan 8.230 nan 0.000 0.422 57 I N 5.355 125.766 120.570 -0.265 0.000 2.359 57 I HA 0.606 4.776 4.170 -0.000 0.000 0.294 57 I C -1.229 174.768 176.117 -0.200 0.000 0.987 57 I CA -0.570 60.607 61.300 -0.205 0.000 1.225 57 I CB 1.686 39.589 38.000 -0.163 0.000 1.366 57 I HN 0.503 nan 8.210 nan 0.000 0.466 58 V N 7.342 127.140 119.914 -0.193 0.000 2.841 58 V HA 0.618 4.738 4.120 -0.000 0.000 0.310 58 V C -1.646 174.348 176.094 -0.165 0.000 1.090 58 V CA -0.257 61.943 62.300 -0.166 0.000 0.930 58 V CB 2.141 33.877 31.823 -0.145 0.000 1.014 58 V HN 0.812 nan 8.190 nan 0.000 0.425 59 D N 3.841 124.144 120.400 -0.162 0.000 2.947 59 D HA 0.341 4.980 4.640 -0.000 0.000 0.224 59 D C 0.769 176.972 176.300 -0.162 0.000 1.230 59 D CA -0.510 53.380 54.000 -0.184 0.000 0.871 59 D CB 2.383 43.032 40.800 -0.251 0.000 1.671 59 D HN 0.709 nan 8.370 nan 0.000 0.507 60 R N 2.213 122.630 120.500 -0.138 0.000 2.237 60 R HA 0.054 4.394 4.340 -0.000 0.000 0.219 60 R C 0.457 176.666 176.300 -0.152 0.000 1.080 60 R CA 0.279 56.312 56.100 -0.110 0.000 0.995 60 R CB 0.152 30.410 30.300 -0.070 0.000 0.875 60 R HN 0.139 nan 8.270 nan 0.000 0.462 61 R N 1.143 121.497 120.500 -0.243 0.000 2.577 61 R HA 0.141 4.481 4.340 -0.000 0.000 0.269 61 R C -1.827 174.269 176.300 -0.341 0.000 1.084 61 R CA -1.853 54.042 56.100 -0.343 0.000 1.163 61 R CB 0.502 30.429 30.300 -0.621 0.000 1.100 61 R HN -0.028 nan 8.270 nan 0.000 0.547 62 P HA 0.016 nan 4.420 nan 0.000 0.245 62 P C -1.151 176.030 177.300 -0.198 0.000 1.212 62 P CA 0.739 63.726 63.100 -0.188 0.000 0.774 62 P CB 0.129 31.774 31.700 -0.091 0.000 0.999 63 H N -1.919 116.973 119.070 -0.297 0.000 2.966 63 H HA 0.592 5.148 4.556 -0.000 0.000 0.330 63 H C -0.269 174.833 175.328 -0.376 0.000 1.292 63 H CA -1.603 54.199 56.048 -0.409 0.000 1.127 63 H CB 0.282 29.489 29.762 -0.926 0.000 1.863 63 H HN -0.187 nan 8.280 nan 0.000 0.543 64 I N -2.266 118.267 120.570 -0.061 0.000 2.924 64 I HA 0.726 4.896 4.170 -0.000 0.000 0.316 64 I C 0.940 176.900 176.117 -0.262 0.000 1.014 64 I CA -0.569 60.617 61.300 -0.190 0.000 1.106 64 I CB 1.460 39.342 38.000 -0.196 0.000 1.311 64 I HN 1.130 nan 8.210 nan 0.000 0.502 65 G N 1.450 109.761 108.800 -0.814 0.000 2.136 65 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.242 65 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.242 65 G C 0.819 175.306 174.900 -0.688 0.000 0.989 65 G CA 0.336 44.510 45.100 -1.544 0.000 0.682 65 G HN 2.034 nan 8.290 nan 0.000 0.522 66 G N 0.662 109.227 108.800 -0.391 0.000 2.661 66 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.327 66 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.327 66 G C 1.093 175.859 174.900 -0.223 0.000 1.320 66 G CA 1.190 46.136 45.100 -0.257 0.000 0.997 66 G HN 1.093 nan 8.290 nan 0.000 0.543 67 N N 0.895 119.449 118.700 -0.244 0.000 2.205 67 N HA 0.070 4.809 4.740 -0.000 0.000 0.186 67 N C 2.246 177.519 175.510 -0.395 0.000 1.015 67 N CA 1.963 54.842 53.050 -0.284 0.000 0.862 67 N CB -0.530 37.961 38.487 0.006 0.000 0.986 67 N HN 0.927 nan 8.380 nan 0.000 0.429 68 A N -0.548 122.046 122.820 -0.378 0.000 2.238 68 A HA -0.009 4.311 4.320 -0.000 0.000 0.208 68 A C 0.308 177.649 177.584 -0.406 0.000 1.177 68 A CA -0.361 51.297 52.037 -0.632 0.000 0.804 68 A CB -0.779 18.120 19.000 -0.169 0.000 0.823 68 A HN 0.374 nan 8.150 nan 0.000 0.482 69 Y N 2.418 122.518 120.300 -0.334 0.000 2.620 69 Y HA 0.327 4.877 4.550 -0.000 0.000 0.330 69 Y C -0.090 175.644 175.900 -0.276 0.000 1.186 69 Y CA -0.553 57.378 58.100 -0.282 0.000 1.467 69 Y CB 0.370 38.572 38.460 -0.431 0.000 1.262 69 Y HN 0.489 nan 8.280 nan 0.000 0.550 70 D N 4.703 124.571 120.400 -0.888 0.000 2.493 70 D HA 0.616 5.256 4.640 -0.000 0.000 0.239 70 D C -1.013 174.677 176.300 -1.018 0.000 1.049 70 D CA -0.523 53.020 54.000 -0.763 0.000 1.008 70 D CB 1.269 41.935 40.800 -0.223 0.000 1.398 70 D HN 0.808 nan 8.370 nan 0.000 0.513 71 C N -2.546 116.332 119.300 -0.704 0.000 3.231 71 C HA 0.624 5.083 4.460 -0.000 0.000 0.343 71 C C -1.498 173.218 174.990 -0.458 0.000 1.349 71 C CA -1.198 57.514 59.018 -0.509 0.000 1.209 71 C CB -0.269 27.250 27.740 -0.368 0.000 1.475 71 C HN 0.613 nan 8.230 nan 0.000 0.460 72 Y N 2.242 122.427 120.300 -0.193 0.000 2.304 72 Y HA 0.470 5.020 4.550 -0.000 0.000 0.328 72 Y C 1.046 176.858 175.900 -0.147 0.000 1.123 72 Y CA 0.793 58.800 58.100 -0.155 0.000 1.218 72 Y CB 0.809 39.211 38.460 -0.097 0.000 1.207 72 Y HN 0.861 nan 8.280 nan 0.000 0.495 73 D N -0.063 120.320 120.400 -0.029 0.000 2.478 73 D HA 0.031 4.671 4.640 -0.000 0.000 0.269 73 D C 0.248 176.549 176.300 0.001 0.000 1.232 73 D CA -0.400 53.565 54.000 -0.059 0.000 1.059 73 D CB 0.482 41.214 40.800 -0.114 0.000 1.104 73 D HN 0.411 nan 8.370 nan 0.000 0.566 74 D N -0.895 119.499 120.400 -0.010 0.000 2.309 74 D HA -0.049 4.591 4.640 -0.000 0.000 0.212 74 D C 1.521 177.840 176.300 0.033 0.000 0.968 74 D CA 1.345 55.352 54.000 0.011 0.000 0.882 74 D CB -0.251 40.552 40.800 0.005 0.000 0.918 74 D HN 0.524 nan 8.370 nan 0.000 0.503 75 A N -0.507 122.330 122.820 0.029 0.000 2.195 75 A HA 0.435 4.755 4.320 -0.000 0.000 0.210 75 A C 1.721 179.395 177.584 0.149 0.000 1.165 75 A CA 0.947 53.024 52.037 0.067 0.000 0.806 75 A CB 0.123 19.125 19.000 0.002 0.000 0.847 75 A HN 0.214 nan 8.150 nan 0.000 0.482 76 G N -1.349 107.520 108.800 0.115 0.000 2.130 76 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 76 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 76 G C -0.064 174.972 174.900 0.226 0.000 0.999 76 G CA 0.036 45.255 45.100 0.199 0.000 0.686 76 G HN 0.773 nan 8.290 nan 0.000 0.515 77 V N 1.234 121.145 119.914 -0.006 0.000 2.394 77 V HA 0.609 4.729 4.120 -0.000 0.000 0.282 77 V C 0.700 176.689 176.094 -0.175 0.000 1.031 77 V CA -0.901 61.306 62.300 -0.155 0.000 0.881 77 V CB 1.617 33.242 31.823 -0.330 0.000 0.982 77 V HN 0.480 nan 8.190 nan 0.000 0.451 78 L N 8.037 129.073 121.223 -0.311 0.000 2.418 78 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 78 L C -0.240 176.289 176.870 -0.568 0.000 1.135 78 L CA 0.753 55.181 54.840 -0.686 0.000 0.870 78 L CB -0.046 41.593 42.059 -0.700 0.000 1.154 78 L HN 0.659 nan 8.230 nan 0.000 0.462 79 I N 0.768 120.911 120.570 -0.712 0.000 3.074 79 I HA 0.513 4.683 4.170 -0.000 0.000 0.310 79 I C -1.091 174.413 176.117 -1.021 0.000 1.153 79 I CA -0.834 59.754 61.300 -1.188 0.000 0.993 79 I CB 2.153 39.603 38.000 -0.918 0.000 1.237 79 I HN 0.575 nan 8.210 nan 0.000 0.443 80 H N 2.590 120.790 119.070 -1.450 0.000 2.661 80 H HA 0.310 4.865 4.556 -0.000 0.000 0.290 80 H C -2.102 172.962 175.328 -0.440 0.000 1.082 80 H CA -1.909 53.745 56.048 -0.657 0.000 1.234 80 H CB 1.078 30.708 29.762 -0.220 0.000 1.387 80 H HN 0.444 nan 8.280 nan 0.000 0.476 81 P HA -0.208 nan 4.420 nan 0.000 0.216 81 P C -0.138 176.779 177.300 -0.638 0.000 1.150 81 P CA 1.444 64.238 63.100 -0.511 0.000 0.843 81 P CB 0.106 31.381 31.700 -0.710 0.000 0.787 82 Y N -0.755 119.297 120.300 -0.414 0.000 2.833 82 Y HA 0.530 5.080 4.550 -0.000 0.000 0.339 82 Y C 1.340 176.772 175.900 -0.779 0.000 1.032 82 Y CA -0.215 57.379 58.100 -0.843 0.000 1.450 82 Y CB -0.183 38.074 38.460 -0.338 0.000 1.296 82 Y HN -0.054 nan 8.280 nan 0.000 0.535 83 G N 0.823 109.290 108.800 -0.555 0.000 2.707 83 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 83 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 83 G C -3.184 172.010 174.900 0.490 0.000 1.315 83 G CA -1.640 43.520 45.100 0.100 0.000 0.832 83 G HN 0.030 nan 8.290 nan 0.000 0.573 84 P HA 0.316 nan 4.420 nan 0.000 0.266 84 P C -0.509 177.048 177.300 0.428 0.000 1.215 84 P CA 0.338 63.753 63.100 0.524 0.000 0.763 84 P CB 0.253 32.062 31.700 0.183 0.000 0.806 85 H N 3.170 122.505 119.070 0.441 0.000 2.718 85 H HA 0.416 4.971 4.556 -0.000 0.000 0.295 85 H C -0.284 175.249 175.328 0.341 0.000 1.051 85 H CA -0.360 55.774 56.048 0.144 0.000 1.260 85 H CB -0.037 29.531 29.762 -0.323 0.000 1.403 85 H HN 0.238 nan 8.280 nan 0.000 0.488 86 I N 3.661 124.467 120.570 0.392 0.000 2.312 86 I HA 0.114 4.283 4.170 -0.000 0.000 0.290 86 I C -0.172 176.237 176.117 0.486 0.000 1.008 86 I CA -0.566 61.022 61.300 0.481 0.000 1.226 86 I CB 0.300 38.508 38.000 0.347 0.000 1.371 86 I HN 0.373 nan 8.210 nan 0.000 0.468 87 F N 7.495 127.709 119.950 0.439 0.000 2.429 87 F HA 0.495 5.022 4.527 -0.000 0.000 0.348 87 F C 0.200 176.094 175.800 0.156 0.000 1.109 87 F CA 0.162 58.342 58.000 0.301 0.000 1.232 87 F CB 0.161 39.446 39.000 0.476 0.000 1.157 87 F HN 0.702 nan 8.300 nan 0.000 0.564 88 H N 1.117 119.574 119.070 -1.022 0.000 3.121 88 H HA 0.553 5.108 4.556 -0.000 0.000 0.337 88 H C -1.403 173.377 175.328 -0.913 0.000 1.198 88 H CA -0.949 54.547 56.048 -0.920 0.000 1.274 88 H CB 1.500 30.717 29.762 -0.907 0.000 1.954 88 H HN 0.658 nan 8.280 nan 0.000 0.531 89 T N 0.965 115.154 114.554 -0.609 0.000 2.840 89 T HA 0.265 4.615 4.350 -0.000 0.000 0.317 89 T C -0.566 174.077 174.700 -0.095 0.000 1.401 89 T CA -0.728 61.140 62.100 -0.387 0.000 1.028 89 T CB 1.420 70.070 68.868 -0.364 0.000 1.317 89 T HN 0.718 nan 8.240 nan 0.000 0.495 90 N N 0.850 119.524 118.700 -0.043 0.000 2.254 90 N HA 0.156 4.896 4.740 -0.000 0.000 0.190 90 N C 0.153 175.735 175.510 0.119 0.000 1.107 90 N CA 0.122 53.191 53.050 0.032 0.000 0.869 90 N CB 0.771 39.248 38.487 -0.016 0.000 0.983 90 N HN 0.496 nan 8.380 nan 0.000 0.487 91 S N 0.690 116.426 115.700 0.061 0.000 2.411 91 S HA 0.174 4.644 4.470 -0.000 0.000 0.294 91 S C 1.254 175.843 174.600 -0.019 0.000 1.115 91 S CA -0.544 57.678 58.200 0.036 0.000 1.071 91 S CB 1.138 64.332 63.200 -0.010 0.000 0.967 91 S HN 0.121 nan 8.310 nan 0.000 0.488 92 K N 3.854 124.264 120.400 0.016 0.000 2.032 92 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 92 K C 0.965 177.523 176.600 -0.070 0.000 1.048 92 K CA 2.133 58.342 56.287 -0.130 0.000 0.927 92 K CB -0.272 32.259 32.500 0.052 0.000 0.712 92 K HN 0.672 nan 8.250 nan 0.000 0.441 93 D N 0.221 120.618 120.400 -0.004 0.000 2.160 93 D HA -0.205 4.435 4.640 -0.000 0.000 0.189 93 D C 1.859 178.189 176.300 0.050 0.000 1.003 93 D CA 1.643 55.655 54.000 0.020 0.000 0.846 93 D CB -0.315 40.492 40.800 0.013 0.000 0.949 93 D HN 0.030 nan 8.370 nan 0.000 0.446 94 V N 0.054 119.997 119.914 0.048 0.000 2.295 94 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 94 V C 2.074 178.293 176.094 0.208 0.000 1.049 94 V CA 1.506 63.881 62.300 0.125 0.000 1.024 94 V CB -0.571 31.312 31.823 0.100 0.000 0.648 94 V HN 0.189 nan 8.190 nan 0.000 0.447 95 F N 0.966 120.866 119.950 -0.083 0.000 2.134 95 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 95 F C 2.490 178.240 175.800 -0.083 0.000 1.097 95 F CA 1.989 59.890 58.000 -0.165 0.000 1.264 95 F CB -0.029 38.563 39.000 -0.679 0.000 1.001 95 F HN 0.186 nan 8.300 nan 0.000 0.479 96 E N -1.049 119.092 120.200 -0.098 0.000 2.204 96 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 96 E C 1.822 178.367 176.600 -0.091 0.000 0.989 96 E CA 1.148 57.474 56.400 -0.123 0.000 0.824 96 E CB -0.425 29.255 29.700 -0.032 0.000 0.756 96 E HN 0.626 nan 8.360 nan 0.000 0.477 97 Y N 1.194 121.432 120.300 -0.103 0.000 2.163 97 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 97 Y C 1.942 177.780 175.900 -0.103 0.000 1.136 97 Y CA 1.138 59.189 58.100 -0.082 0.000 1.147 97 Y CB -0.153 38.313 38.460 0.010 0.000 0.987 97 Y HN -0.052 nan 8.280 nan 0.000 0.509 98 L N -0.084 121.101 121.223 -0.063 0.000 2.141 98 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 98 L C 2.470 179.228 176.870 -0.187 0.000 1.094 98 L CA 1.718 56.516 54.840 -0.070 0.000 0.763 98 L CB -1.227 40.920 42.059 0.147 0.000 0.908 98 L HN 0.159 nan 8.230 nan 0.000 0.437 99 S N -0.683 114.912 115.700 -0.177 0.000 2.465 99 S HA -0.188 4.282 4.470 -0.000 0.000 0.241 99 S C 1.959 176.363 174.600 -0.327 0.000 1.000 99 S CA 0.898 59.016 58.200 -0.137 0.000 0.964 99 S CB -0.301 62.774 63.200 -0.208 0.000 0.763 99 S HN 0.440 nan 8.310 nan 0.000 0.512 100 R N -0.308 119.851 120.500 -0.568 0.000 2.193 100 R HA 0.086 4.426 4.340 -0.000 0.000 0.213 100 R C 0.733 176.505 176.300 -0.880 0.000 1.055 100 R CA 0.921 56.536 56.100 -0.808 0.000 0.995 100 R CB -0.133 29.456 30.300 -1.186 0.000 0.893 100 R HN 0.452 nan 8.270 nan 0.000 0.459 101 F N -0.944 118.797 119.950 -0.348 0.000 2.661 101 F HA 0.275 4.802 4.527 -0.000 0.000 0.306 101 F C 0.413 175.984 175.800 -0.381 0.000 1.094 101 F CA -0.371 57.425 58.000 -0.341 0.000 1.254 101 F CB 1.318 40.092 39.000 -0.376 0.000 1.040 101 F HN -0.207 nan 8.300 nan 0.000 0.562 102 T N -0.531 113.813 114.554 -0.351 0.000 2.927 102 T HA 0.208 4.558 4.350 -0.000 0.000 0.350 102 T C -1.086 173.218 174.700 -0.660 0.000 1.746 102 T CA -0.649 61.146 62.100 -0.508 0.000 1.081 102 T CB 1.207 69.636 68.868 -0.731 0.000 1.551 102 T HN 0.067 nan 8.240 nan 0.000 0.489 103 E N 0.974 120.851 120.200 -0.538 0.000 2.385 103 E HA 0.565 4.915 4.350 -0.000 0.000 0.254 103 E C -0.964 175.233 176.600 -0.671 0.000 1.228 103 E CA -0.479 55.656 56.400 -0.442 0.000 0.956 103 E CB 0.852 30.422 29.700 -0.217 0.000 1.116 103 E HN 0.506 nan 8.360 nan 0.000 0.507 104 W N 0.137 121.396 121.300 -0.067 0.000 2.844 104 W HA 0.401 5.061 4.660 -0.000 0.000 0.340 104 W C -0.374 176.158 176.519 0.022 0.000 1.093 104 W CA -0.776 56.575 57.345 0.011 0.000 1.212 104 W CB 1.278 30.842 29.460 0.173 0.000 1.422 104 W HN 0.147 nan 8.180 nan 0.000 0.515 105 R N 3.238 123.923 120.500 0.309 0.000 2.288 105 R HA 0.404 4.744 4.340 -0.000 0.000 0.326 105 R C -2.610 173.876 176.300 0.309 0.000 0.959 105 R CA -1.822 54.411 56.100 0.221 0.000 0.834 105 R CB 1.117 31.485 30.300 0.114 0.000 1.157 105 R HN 0.088 nan 8.270 nan 0.000 0.470 106 P HA -0.060 nan 4.420 nan 0.000 0.261 106 P C -1.630 175.859 177.300 0.315 0.000 1.183 106 P CA 0.449 63.694 63.100 0.241 0.000 0.761 106 P CB 0.055 31.851 31.700 0.160 0.000 0.785 107 Y N 2.332 122.729 120.300 0.162 0.000 2.399 107 Y HA 0.319 4.869 4.550 -0.000 0.000 0.327 107 Y C -1.202 174.807 175.900 0.182 0.000 1.111 107 Y CA -0.674 57.531 58.100 0.176 0.000 1.047 107 Y CB 1.816 40.408 38.460 0.220 0.000 1.259 107 Y HN 0.287 nan 8.280 nan 0.000 0.434 108 Q N 5.142 124.703 119.800 -0.399 0.000 2.425 108 Q HA 0.198 4.538 4.340 -0.000 0.000 0.254 108 Q C -1.190 174.423 176.000 -0.645 0.000 1.032 108 Q CA -0.888 54.688 55.803 -0.378 0.000 0.798 108 Q CB 0.961 29.613 28.738 -0.144 0.000 1.210 108 Q HN 0.709 nan 8.270 nan 0.000 0.491 109 H N 2.645 121.267 119.070 -0.746 0.000 2.897 109 H HA 0.120 4.676 4.556 -0.000 0.000 0.347 109 H C -0.683 174.505 175.328 -0.234 0.000 1.068 109 H CA 0.845 56.606 56.048 -0.478 0.000 1.426 109 H CB 0.491 30.256 29.762 0.005 0.000 1.410 109 H HN 0.419 nan 8.280 nan 0.000 0.597 110 R N 3.520 123.624 120.500 -0.660 0.000 2.575 110 R HA 0.469 4.809 4.340 -0.000 0.000 0.293 110 R C -1.469 174.438 176.300 -0.655 0.000 0.983 110 R CA -1.058 54.736 56.100 -0.509 0.000 0.887 110 R CB 2.098 32.236 30.300 -0.269 0.000 1.184 110 R HN 0.334 nan 8.270 nan 0.000 0.445 111 V N 4.150 123.761 119.914 -0.505 0.000 2.495 111 V HA 0.435 4.554 4.120 -0.000 0.000 0.298 111 V C -0.666 175.268 176.094 -0.267 0.000 1.031 111 V CA -1.019 61.008 62.300 -0.456 0.000 0.871 111 V CB 1.840 33.317 31.823 -0.577 0.000 0.988 111 V HN 0.445 nan 8.190 nan 0.000 0.432 112 L N 3.531 124.604 121.223 -0.250 0.000 2.325 112 L HA 0.808 5.148 4.340 -0.000 0.000 0.278 112 L C 0.405 177.162 176.870 -0.189 0.000 1.023 112 L CA -0.484 54.246 54.840 -0.182 0.000 0.811 112 L CB 1.475 43.431 42.059 -0.171 0.000 1.249 112 L HN 0.836 nan 8.230 nan 0.000 0.431 113 A N 1.772 124.527 122.820 -0.107 0.000 2.276 113 A HA 0.521 4.841 4.320 -0.000 0.000 0.316 113 A C 0.116 177.607 177.584 -0.155 0.000 1.229 113 A CA -0.375 51.593 52.037 -0.114 0.000 0.851 113 A CB 0.741 19.782 19.000 0.068 0.000 1.165 113 A HN 0.628 nan 8.150 nan 0.000 0.513 114 S N 2.244 117.797 115.700 -0.245 0.000 2.498 114 S HA 0.452 4.922 4.470 -0.000 0.000 0.314 114 S C -0.495 174.028 174.600 -0.129 0.000 1.141 114 S CA -0.213 57.895 58.200 -0.153 0.000 1.087 114 S CB -0.851 62.288 63.200 -0.101 0.000 1.178 114 S HN 0.648 nan 8.310 nan 0.000 0.533 115 V N 4.842 124.654 119.914 -0.171 0.000 2.638 115 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 115 V C -0.281 175.718 176.094 -0.157 0.000 1.052 115 V CA -0.919 61.227 62.300 -0.258 0.000 0.885 115 V CB 1.820 33.291 31.823 -0.587 0.000 0.999 115 V HN 0.792 nan 8.190 nan 0.000 0.424 116 D N 3.604 123.930 120.400 -0.123 0.000 2.751 116 D HA -0.184 4.455 4.640 -0.000 0.000 0.233 116 D C 1.336 177.609 176.300 -0.044 0.000 1.149 116 D CA 2.113 56.069 54.000 -0.075 0.000 0.682 116 D CB -1.070 39.680 40.800 -0.083 0.000 1.068 116 D HN 1.558 nan 8.370 nan 0.000 0.429 117 G N -1.032 107.753 108.800 -0.025 0.000 2.162 117 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.260 117 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.260 117 G C 0.237 175.135 174.900 -0.003 0.000 0.976 117 G CA 0.804 45.905 45.100 0.001 0.000 0.655 117 G HN 0.555 nan 8.290 nan 0.000 0.533 118 Q N -0.997 118.787 119.800 -0.026 0.000 2.378 118 Q HA 0.777 5.117 4.340 -0.000 0.000 0.276 118 Q C -0.180 175.796 176.000 -0.041 0.000 1.083 118 Q CA -1.031 54.755 55.803 -0.028 0.000 0.856 118 Q CB 1.723 30.441 28.738 -0.033 0.000 1.383 118 Q HN 0.239 nan 8.270 nan 0.000 0.458 119 L N 2.262 123.459 121.223 -0.042 0.000 2.283 119 L HA 0.365 4.704 4.340 -0.000 0.000 0.281 119 L C -1.213 175.629 176.870 -0.047 0.000 1.033 119 L CA -0.612 54.190 54.840 -0.064 0.000 0.848 119 L CB 0.309 42.322 42.059 -0.077 0.000 1.226 119 L HN 0.248 nan 8.230 nan 0.000 0.429 120 L N 5.093 126.308 121.223 -0.014 0.000 2.331 120 L HA 0.603 4.943 4.340 -0.000 0.000 0.275 120 L C -2.138 174.734 176.870 0.004 0.000 1.022 120 L CA -2.453 52.403 54.840 0.025 0.000 0.812 120 L CB 1.065 43.206 42.059 0.136 0.000 1.257 120 L HN 0.206 nan 8.230 nan 0.000 0.435 121 P HA 0.185 nan 4.420 nan 0.000 0.263 121 P C -0.859 176.369 177.300 -0.120 0.000 1.195 121 P CA 0.177 63.224 63.100 -0.088 0.000 0.762 121 P CB 0.484 32.126 31.700 -0.097 0.000 0.799 122 I N 5.536 126.039 120.570 -0.111 0.000 2.466 122 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 122 I C -2.642 173.432 176.117 -0.072 0.000 1.026 122 I CA -3.376 57.839 61.300 -0.141 0.000 1.078 122 I CB 1.959 39.900 38.000 -0.097 0.000 1.249 122 I HN 0.176 nan 8.210 nan 0.000 0.429 123 P HA 0.096 nan 4.420 nan 0.000 0.269 123 P C -0.605 176.555 177.300 -0.234 0.000 1.205 123 P CA 0.217 63.184 63.100 -0.222 0.000 0.780 123 P CB 0.299 31.862 31.700 -0.228 0.000 0.858 124 I N 2.253 122.659 120.570 -0.273 0.000 2.618 124 I HA 0.073 4.243 4.170 -0.000 0.000 0.284 124 I C 1.039 177.087 176.117 -0.114 0.000 1.146 124 I CA 0.442 61.564 61.300 -0.297 0.000 1.425 124 I CB -0.106 37.697 38.000 -0.329 0.000 1.383 124 I HN 0.511 nan 8.210 nan 0.000 0.562 125 N N 5.728 124.385 118.700 -0.071 0.000 3.157 125 N HA 0.256 4.996 4.740 -0.000 0.000 0.291 125 N C 0.294 175.804 175.510 0.001 0.000 1.515 125 N CA -0.925 52.121 53.050 -0.007 0.000 0.807 125 N CB 0.684 39.136 38.487 -0.058 0.000 1.672 125 N HN 0.443 nan 8.380 nan 0.000 0.592 126 L N -0.106 121.099 121.223 -0.029 0.000 2.021 126 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 126 L C 0.688 177.508 176.870 -0.082 0.000 1.074 126 L CA 2.246 57.038 54.840 -0.079 0.000 0.760 126 L CB -0.413 41.589 42.059 -0.095 0.000 0.889 126 L HN 0.567 nan 8.230 nan 0.000 0.433 127 D N -1.219 119.139 120.400 -0.070 0.000 2.144 127 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 127 D C 1.977 178.238 176.300 -0.064 0.000 0.978 127 D CA 1.627 55.587 54.000 -0.067 0.000 0.833 127 D CB -0.160 40.603 40.800 -0.062 0.000 0.961 127 D HN 0.391 nan 8.370 nan 0.000 0.470 128 T N 1.336 115.850 114.554 -0.067 0.000 2.595 128 T HA -0.129 4.221 4.350 -0.000 0.000 0.264 128 T C 2.374 177.038 174.700 -0.061 0.000 1.058 128 T CA 1.210 63.271 62.100 -0.066 0.000 1.166 128 T CB -0.640 68.145 68.868 -0.139 0.000 0.863 128 T HN -0.042 nan 8.240 nan 0.000 0.415 129 V N 2.524 122.411 119.914 -0.045 0.000 2.282 129 V HA -0.236 3.884 4.120 -0.000 0.000 0.249 129 V C 2.559 178.610 176.094 -0.073 0.000 1.057 129 V CA 1.818 64.094 62.300 -0.039 0.000 1.032 129 V CB -0.784 30.989 31.823 -0.084 0.000 0.645 129 V HN 0.416 nan 8.190 nan 0.000 0.447 130 N N 0.088 118.730 118.700 -0.095 0.000 2.069 130 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 130 N C 1.991 177.470 175.510 -0.051 0.000 1.031 130 N CA 1.561 54.565 53.050 -0.076 0.000 0.852 130 N CB -0.371 38.068 38.487 -0.080 0.000 1.018 130 N HN 0.465 nan 8.380 nan 0.000 0.423 131 R N 0.069 120.533 120.500 -0.060 0.000 2.081 131 R HA -0.072 4.267 4.340 -0.000 0.000 0.235 131 R C 2.078 178.335 176.300 -0.072 0.000 1.131 131 R CA 0.755 56.824 56.100 -0.052 0.000 0.960 131 R CB -0.516 29.757 30.300 -0.045 0.000 0.856 131 R HN 0.154 nan 8.270 nan 0.000 0.436 132 L N -0.273 120.868 121.223 -0.136 0.000 2.017 132 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 132 L C 1.307 178.016 176.870 -0.268 0.000 1.073 132 L CA 1.836 56.520 54.840 -0.260 0.000 0.745 132 L CB -0.265 41.527 42.059 -0.445 0.000 0.894 132 L HN 0.111 nan 8.230 nan 0.000 0.432 133 Y N -0.220 120.081 120.300 0.002 0.000 2.458 133 Y HA 0.444 4.994 4.550 -0.000 0.000 0.256 133 Y C 1.775 177.665 175.900 -0.017 0.000 1.159 133 Y CA -0.139 57.961 58.100 -0.001 0.000 1.261 133 Y CB -0.286 38.164 38.460 -0.017 0.000 1.119 133 Y HN 0.248 nan 8.280 nan 0.000 0.524 134 G N 0.789 109.638 108.800 0.082 0.000 2.160 134 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.251 134 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.251 134 G C 0.100 175.018 174.900 0.030 0.000 1.008 134 G CA 0.194 45.320 45.100 0.043 0.000 0.724 134 G HN 0.285 nan 8.290 nan 0.000 0.514 135 L N -0.613 120.623 121.223 0.022 0.000 2.468 135 L HA 0.451 4.791 4.340 -0.000 0.000 0.254 135 L C 0.973 177.817 176.870 -0.044 0.000 1.171 135 L CA -0.732 54.092 54.840 -0.027 0.000 0.809 135 L CB 0.524 42.527 42.059 -0.094 0.000 1.155 135 L HN 0.051 nan 8.230 nan 0.000 0.473 136 N N 1.208 119.878 118.700 -0.051 0.000 2.517 136 N HA 0.276 5.016 4.740 -0.000 0.000 0.285 136 N C -0.563 174.915 175.510 -0.053 0.000 1.528 136 N CA -0.121 52.902 53.050 -0.045 0.000 0.892 136 N CB 0.645 39.117 38.487 -0.025 0.000 1.356 136 N HN 0.388 nan 8.380 nan 0.000 0.495 137 L N 1.216 122.386 121.223 -0.089 0.000 2.499 137 L HA 0.067 4.407 4.340 -0.000 0.000 0.281 137 L C 1.473 178.304 176.870 -0.064 0.000 1.234 137 L CA 0.426 55.212 54.840 -0.089 0.000 0.839 137 L CB 0.109 42.065 42.059 -0.171 0.000 1.104 137 L HN 0.153 nan 8.230 nan 0.000 0.500 138 T N -1.943 112.598 114.554 -0.021 0.000 2.927 138 T HA 0.201 4.550 4.350 -0.000 0.000 0.281 138 T C 1.120 175.784 174.700 -0.059 0.000 0.998 138 T CA -0.587 61.513 62.100 -0.000 0.000 1.019 138 T CB 1.593 70.534 68.868 0.122 0.000 1.061 138 T HN 0.540 nan 8.240 nan 0.000 0.518 139 S N 0.413 116.015 115.700 -0.163 0.000 2.372 139 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 139 S C 1.522 175.966 174.600 -0.260 0.000 1.044 139 S CA 1.616 59.644 58.200 -0.287 0.000 1.050 139 S CB -0.813 62.105 63.200 -0.469 0.000 0.901 139 S HN 0.686 nan 8.310 nan 0.000 0.447 140 F N 1.712 121.644 119.950 -0.030 0.000 2.134 140 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 140 F C 2.715 178.500 175.800 -0.025 0.000 1.097 140 F CA 1.034 59.022 58.000 -0.020 0.000 1.264 140 F CB -0.807 38.183 39.000 -0.015 0.000 1.001 140 F HN 0.202 nan 8.300 nan 0.000 0.479 141 Q N -0.196 119.694 119.800 0.150 0.000 2.046 141 Q HA -0.153 4.186 4.340 -0.000 0.000 0.200 141 Q C 2.491 178.490 176.000 -0.001 0.000 0.975 141 Q CA 1.502 57.346 55.803 0.067 0.000 0.836 141 Q CB -0.692 28.071 28.738 0.042 0.000 0.896 141 Q HN 0.314 nan 8.270 nan 0.000 0.428 142 V N 1.194 121.044 119.914 -0.107 0.000 2.490 142 V HA -0.287 3.832 4.120 -0.000 0.000 0.250 142 V C 2.107 178.019 176.094 -0.303 0.000 1.061 142 V CA 2.058 64.183 62.300 -0.292 0.000 1.064 142 V CB -0.245 31.322 31.823 -0.426 0.000 0.670 142 V HN 0.405 nan 8.190 nan 0.000 0.461 143 E N -0.357 119.787 120.200 -0.095 0.000 2.077 143 E HA -0.260 4.090 4.350 -0.000 0.000 0.193 143 E C 2.107 178.760 176.600 0.087 0.000 0.989 143 E CA 1.664 58.095 56.400 0.052 0.000 0.800 143 E CB -0.123 29.622 29.700 0.074 0.000 0.746 143 E HN 0.759 nan 8.360 nan 0.000 0.452 144 E N -0.301 119.940 120.200 0.067 0.000 2.110 144 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 144 E C 1.807 178.448 176.600 0.068 0.000 0.988 144 E CA 0.967 57.408 56.400 0.068 0.000 0.804 144 E CB -0.203 29.535 29.700 0.064 0.000 0.745 144 E HN 0.305 nan 8.360 nan 0.000 0.458 145 F N 0.681 120.569 119.950 -0.103 0.000 2.102 145 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 145 F C 1.792 177.584 175.800 -0.014 0.000 1.105 145 F CA 1.276 59.205 58.000 -0.119 0.000 1.239 145 F CB -0.103 38.751 39.000 -0.243 0.000 0.991 145 F HN -0.094 nan 8.300 nan 0.000 0.474 146 F N 0.940 121.010 119.950 0.200 0.000 2.095 146 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 146 F C 2.685 178.459 175.800 -0.043 0.000 1.104 146 F CA 0.960 59.007 58.000 0.078 0.000 1.232 146 F CB -1.786 37.280 39.000 0.109 0.000 0.987 146 F HN 0.088 nan 8.300 nan 0.000 0.475 147 A N -0.005 122.916 122.820 0.168 0.000 1.917 147 A HA -0.254 4.065 4.320 -0.000 0.000 0.219 147 A C 2.442 180.018 177.584 -0.012 0.000 1.182 147 A CA 2.619 54.694 52.037 0.064 0.000 0.633 147 A CB -1.255 17.777 19.000 0.053 0.000 0.819 147 A HN 0.445 nan 8.150 nan 0.000 0.448 148 S N -0.213 115.441 115.700 -0.076 0.000 2.387 148 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 148 S C 1.755 176.256 174.600 -0.166 0.000 1.026 148 S CA 1.568 59.689 58.200 -0.132 0.000 0.972 148 S CB -0.998 62.091 63.200 -0.185 0.000 0.814 148 S HN 1.098 nan 8.310 nan 0.000 0.477 149 V N -0.740 119.037 119.914 -0.229 0.000 3.235 149 V HA 0.544 4.664 4.120 -0.000 0.000 0.259 149 V C 1.198 177.251 176.094 -0.068 0.000 1.133 149 V CA -0.162 62.023 62.300 -0.191 0.000 1.128 149 V CB -1.503 30.144 31.823 -0.294 0.000 0.757 149 V HN 0.630 nan 8.190 nan 0.000 0.469 150 A N 1.057 123.856 122.820 -0.034 0.000 2.531 150 A HA 0.266 4.585 4.320 -0.000 0.000 0.236 150 A C 0.327 177.885 177.584 -0.043 0.000 1.062 150 A CA 0.031 52.052 52.037 -0.026 0.000 0.760 150 A CB -0.221 18.771 19.000 -0.013 0.000 0.995 150 A HN 0.687 nan 8.150 nan 0.000 0.501 151 E N 1.274 121.440 120.200 -0.056 0.000 2.266 151 E HA 0.222 4.571 4.350 -0.000 0.000 0.277 151 E C -0.437 176.126 176.600 -0.062 0.000 1.018 151 E CA -0.870 55.494 56.400 -0.060 0.000 0.840 151 E CB 0.963 30.618 29.700 -0.075 0.000 1.082 151 E HN 0.365 nan 8.360 nan 0.000 0.395 152 K N 2.055 122.424 120.400 -0.052 0.000 2.297 152 K HA 0.257 4.577 4.320 -0.000 0.000 0.286 152 K C -1.031 175.536 176.600 -0.055 0.000 1.053 152 K CA -0.356 55.901 56.287 -0.049 0.000 0.940 152 K CB 1.124 33.601 32.500 -0.038 0.000 1.019 152 K HN 0.243 nan 8.250 nan 0.000 0.475 153 V N 4.013 123.892 119.914 -0.058 0.000 2.376 153 V HA 0.058 4.178 4.120 -0.000 0.000 0.287 153 V C 1.311 177.376 176.094 -0.048 0.000 1.015 153 V CA -0.554 61.711 62.300 -0.060 0.000 0.834 153 V CB 1.436 33.213 31.823 -0.077 0.000 1.001 153 V HN 0.746 nan 8.190 nan 0.000 0.428 154 E N 3.309 123.484 120.200 -0.041 0.000 2.065 154 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 154 E C 0.984 177.564 176.600 -0.034 0.000 1.016 154 E CA 1.829 58.209 56.400 -0.033 0.000 0.818 154 E CB 0.174 29.857 29.700 -0.029 0.000 0.749 154 E HN 0.738 nan 8.360 nan 0.000 0.453 155 Q N -0.486 119.292 119.800 -0.037 0.000 2.350 155 Q HA 0.299 4.639 4.340 -0.000 0.000 0.255 155 Q C -1.599 174.375 176.000 -0.045 0.000 0.951 155 Q CA -0.560 55.221 55.803 -0.037 0.000 0.751 155 Q CB 1.621 30.341 28.738 -0.029 0.000 1.296 155 Q HN -0.017 nan 8.270 nan 0.000 0.453 156 V N 5.364 125.247 119.914 -0.051 0.000 2.475 156 V HA -0.038 4.082 4.120 -0.000 0.000 0.292 156 V C 0.926 176.987 176.094 -0.054 0.000 1.003 156 V CA 1.035 63.298 62.300 -0.063 0.000 1.120 156 V CB 0.203 31.985 31.823 -0.069 0.000 0.937 156 V HN 0.846 nan 8.190 nan 0.000 0.476 157 R N 2.107 122.573 120.500 -0.057 0.000 2.437 157 R HA 0.137 4.477 4.340 -0.000 0.000 0.184 157 R C 0.925 177.194 176.300 -0.053 0.000 0.850 157 R CA 0.577 56.649 56.100 -0.047 0.000 1.073 157 R CB 0.399 30.676 30.300 -0.038 0.000 1.336 157 R HN 0.737 nan 8.270 nan 0.000 0.640 158 T N -1.780 112.737 114.554 -0.061 0.000 2.927 158 T HA 0.220 4.570 4.350 -0.000 0.000 0.281 158 T C 0.974 175.629 174.700 -0.074 0.000 0.998 158 T CA -0.516 61.547 62.100 -0.061 0.000 1.019 158 T CB 1.895 70.732 68.868 -0.051 0.000 1.061 158 T HN -0.135 nan 8.240 nan 0.000 0.518 159 S N -0.283 115.380 115.700 -0.062 0.000 2.547 159 S HA -0.043 4.426 4.470 -0.000 0.000 0.235 159 S C 1.654 176.232 174.600 -0.037 0.000 0.980 159 S CA 0.853 59.022 58.200 -0.053 0.000 0.941 159 S CB -0.455 62.728 63.200 -0.030 0.000 0.763 159 S HN 0.862 nan 8.310 nan 0.000 0.532 160 E N 0.926 121.088 120.200 -0.063 0.000 2.140 160 E HA -0.102 4.247 4.350 -0.000 0.000 0.191 160 E C 0.918 177.332 176.600 -0.310 0.000 0.973 160 E CA 0.776 57.055 56.400 -0.201 0.000 0.829 160 E CB 0.098 29.699 29.700 -0.164 0.000 0.781 160 E HN 0.293 nan 8.360 nan 0.000 0.466 161 D N 0.550 120.832 120.400 -0.196 0.000 2.144 161 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 161 D C 2.128 178.318 176.300 -0.183 0.000 0.978 161 D CA 1.486 55.378 54.000 -0.179 0.000 0.833 161 D CB -0.095 40.632 40.800 -0.121 0.000 0.961 161 D HN 0.240 nan 8.370 nan 0.000 0.470 162 V N -0.457 119.350 119.914 -0.178 0.000 2.427 162 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 162 V C 2.468 178.417 176.094 -0.242 0.000 1.051 162 V CA 1.000 63.190 62.300 -0.184 0.000 1.048 162 V CB -0.954 30.769 31.823 -0.168 0.000 0.666 162 V HN 0.013 nan 8.190 nan 0.000 0.456 163 V N -0.531 119.199 119.914 -0.306 0.000 2.374 163 V HA -0.069 4.051 4.120 -0.000 0.000 0.241 163 V C 2.580 178.531 176.094 -0.238 0.000 1.034 163 V CA 1.541 63.633 62.300 -0.346 0.000 1.037 163 V CB 0.188 31.748 31.823 -0.437 0.000 0.682 163 V HN 0.363 nan 8.190 nan 0.000 0.463 164 V N 1.310 121.037 119.914 -0.312 0.000 2.392 164 V HA -0.216 3.904 4.120 -0.000 0.000 0.249 164 V C 2.491 178.483 176.094 -0.170 0.000 1.059 164 V CA 2.423 64.557 62.300 -0.276 0.000 1.051 164 V CB -0.490 31.074 31.823 -0.432 0.000 0.658 164 V HN 0.758 nan 8.190 nan 0.000 0.455 165 S N -1.848 113.750 115.700 -0.170 0.000 2.593 165 S HA 0.069 4.539 4.470 -0.000 0.000 0.217 165 S C 1.502 176.033 174.600 -0.115 0.000 0.966 165 S CA 0.322 58.448 58.200 -0.124 0.000 0.914 165 S CB 0.005 63.136 63.200 -0.114 0.000 0.776 165 S HN 0.640 nan 8.310 nan 0.000 0.523 166 K N 0.584 120.893 120.400 -0.151 0.000 2.344 166 K HA 0.222 4.542 4.320 -0.000 0.000 0.200 166 K C 1.121 177.570 176.600 -0.251 0.000 1.132 166 K CA 0.957 57.133 56.287 -0.185 0.000 0.935 166 K CB 0.729 33.089 32.500 -0.234 0.000 1.089 166 K HN 0.357 nan 8.250 nan 0.000 0.496 167 V N -2.178 117.595 119.914 -0.236 0.000 3.166 167 V HA 0.474 4.594 4.120 -0.000 0.000 0.332 167 V C 0.282 176.414 176.094 0.063 0.000 1.434 167 V CA -0.034 62.132 62.300 -0.223 0.000 1.121 167 V CB -0.170 31.424 31.823 -0.381 0.000 1.062 167 V HN 0.389 nan 8.190 nan 0.000 0.489 168 G N 1.811 110.626 108.800 0.025 0.000 2.782 168 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.228 168 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.228 168 G C 0.213 175.179 174.900 0.110 0.000 1.372 168 G CA 0.560 45.693 45.100 0.055 0.000 0.862 168 G HN 0.766 nan 8.290 nan 0.000 0.547 169 R N -0.282 120.287 120.500 0.115 0.000 2.080 169 R HA 0.078 4.418 4.340 -0.000 0.000 0.222 169 R C 2.143 178.611 176.300 0.281 0.000 1.107 169 R CA 2.228 58.432 56.100 0.173 0.000 0.980 169 R CB -0.816 29.550 30.300 0.110 0.000 0.879 169 R HN 0.610 nan 8.270 nan 0.000 0.439 170 D N -0.148 120.404 120.400 0.253 0.000 2.084 170 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 170 D C 1.853 178.366 176.300 0.355 0.000 0.985 170 D CA 1.377 55.550 54.000 0.287 0.000 0.826 170 D CB -0.077 40.907 40.800 0.307 0.000 0.978 170 D HN 0.249 nan 8.370 nan 0.000 0.456 171 L N -0.296 121.180 121.223 0.423 0.000 2.127 171 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 171 L C 2.316 179.501 176.870 0.525 0.000 1.089 171 L CA 1.094 56.227 54.840 0.489 0.000 0.757 171 L CB -0.578 41.733 42.059 0.420 0.000 0.899 171 L HN 0.228 nan 8.230 nan 0.000 0.434 172 Y N 1.213 121.703 120.300 0.316 0.000 2.163 172 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 172 Y C 2.417 178.499 175.900 0.304 0.000 1.136 172 Y CA 1.546 59.841 58.100 0.325 0.000 1.147 172 Y CB -0.210 38.347 38.460 0.163 0.000 0.987 172 Y HN 0.171 nan 8.280 nan 0.000 0.509 173 N N 0.498 119.296 118.700 0.163 0.000 2.309 173 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 173 N C 1.410 176.911 175.510 -0.015 0.000 1.018 173 N CA 1.394 54.451 53.050 0.012 0.000 0.876 173 N CB -0.145 38.412 38.487 0.117 0.000 0.972 173 N HN 0.514 nan 8.380 nan 0.000 0.434 174 K N -1.076 119.351 120.400 0.045 0.000 2.242 174 K HA 0.121 4.441 4.320 -0.000 0.000 0.200 174 K C 0.907 177.294 176.600 -0.356 0.000 1.050 174 K CA 0.599 56.799 56.287 -0.145 0.000 0.981 174 K CB 0.197 32.599 32.500 -0.164 0.000 0.795 174 K HN 0.133 nan 8.250 nan 0.000 0.477 175 F N -1.466 118.438 119.950 -0.077 0.000 2.637 175 F HA 0.199 4.726 4.527 -0.000 0.000 0.284 175 F C 1.476 177.048 175.800 -0.380 0.000 1.105 175 F CA 0.072 57.916 58.000 -0.260 0.000 1.356 175 F CB 0.324 39.092 39.000 -0.387 0.000 1.096 175 F HN -0.161 nan 8.300 nan 0.000 0.616 176 F N -0.605 119.375 119.950 0.050 0.000 2.480 176 F HA 0.247 4.773 4.527 -0.000 0.000 0.280 176 F C 2.413 178.142 175.800 -0.119 0.000 1.002 176 F CA 0.251 58.241 58.000 -0.017 0.000 1.325 176 F CB -0.596 38.407 39.000 0.005 0.000 1.134 176 F HN -0.387 nan 8.300 nan 0.000 0.646 177 R N 0.795 121.130 120.500 -0.275 0.000 2.080 177 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 177 R C 2.336 178.631 176.300 -0.009 0.000 1.137 177 R CA 1.894 57.844 56.100 -0.250 0.000 0.943 177 R CB -1.057 28.999 30.300 -0.407 0.000 0.846 177 R HN 0.406 nan 8.270 nan 0.000 0.431 178 G N -0.303 108.491 108.800 -0.010 0.000 2.480 178 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.216 178 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.216 178 G C 1.342 176.293 174.900 0.084 0.000 1.200 178 G CA 1.008 46.124 45.100 0.027 0.000 0.782 178 G HN 0.507 nan 8.290 nan 0.000 0.554 179 Y N 1.659 121.965 120.300 0.009 0.000 2.128 179 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 179 Y C 3.258 179.223 175.900 0.107 0.000 1.154 179 Y CA 2.433 60.558 58.100 0.041 0.000 1.149 179 Y CB -0.343 38.131 38.460 0.023 0.000 0.976 179 Y HN 0.223 nan 8.280 nan 0.000 0.505 180 T N 0.351 115.159 114.554 0.423 0.000 2.684 180 T HA -0.202 4.147 4.350 -0.000 0.000 0.267 180 T C 1.878 176.789 174.700 0.353 0.000 1.036 180 T CA 1.720 64.113 62.100 0.490 0.000 1.148 180 T CB -0.270 68.858 68.868 0.433 0.000 0.863 180 T HN 0.308 nan 8.240 nan 0.000 0.436 181 R N 0.756 121.377 120.500 0.202 0.000 2.082 181 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 181 R C 2.609 178.955 176.300 0.076 0.000 1.136 181 R CA 1.727 57.910 56.100 0.138 0.000 0.935 181 R CB -0.223 30.127 30.300 0.083 0.000 0.842 181 R HN 0.294 nan 8.270 nan 0.000 0.430 182 K N 0.355 120.752 120.400 -0.005 0.000 2.063 182 K HA -0.281 4.038 4.320 -0.000 0.000 0.208 182 K C 2.226 178.738 176.600 -0.146 0.000 1.048 182 K CA 1.953 58.189 56.287 -0.086 0.000 0.928 182 K CB -0.001 32.406 32.500 -0.155 0.000 0.713 182 K HN -0.014 nan 8.250 nan 0.000 0.442 183 Q N -0.584 119.078 119.800 -0.231 0.000 2.079 183 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 183 Q C 1.247 176.996 176.000 -0.418 0.000 0.974 183 Q CA 1.996 57.550 55.803 -0.414 0.000 0.840 183 Q CB -0.228 28.189 28.738 -0.535 0.000 0.898 183 Q HN 0.479 nan 8.270 nan 0.000 0.430 184 W N -1.486 119.783 121.300 -0.052 0.000 2.907 184 W HA 0.389 5.049 4.660 -0.000 0.000 0.271 184 W C 1.261 177.781 176.519 0.001 0.000 1.253 184 W CA 0.340 57.667 57.345 -0.029 0.000 1.501 184 W CB 0.481 29.946 29.460 0.008 0.000 1.047 184 W HN 0.338 nan 8.180 nan 0.000 0.610 185 G N 0.153 109.071 108.800 0.197 0.000 2.179 185 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.260 185 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.260 185 G C -0.396 174.591 174.900 0.145 0.000 0.977 185 G CA 0.189 45.371 45.100 0.137 0.000 0.641 185 G HN 0.048 nan 8.290 nan 0.000 0.533 186 L N 0.122 121.460 121.223 0.192 0.000 2.323 186 L HA 0.719 5.059 4.340 -0.000 0.000 0.265 186 L C 0.064 177.014 176.870 0.133 0.000 1.012 186 L CA -1.276 53.646 54.840 0.136 0.000 0.820 186 L CB 1.598 43.721 42.059 0.107 0.000 1.334 186 L HN 0.184 nan 8.230 nan 0.000 0.427 187 D N 1.209 121.669 120.400 0.101 0.000 2.341 187 D HA 0.249 4.889 4.640 -0.000 0.000 0.245 187 D C -1.723 174.641 176.300 0.107 0.000 1.106 187 D CA -1.210 52.858 54.000 0.112 0.000 0.905 187 D CB 1.451 42.311 40.800 0.101 0.000 1.202 187 D HN 0.257 nan 8.370 nan 0.000 0.426 188 P HA -0.143 nan 4.420 nan 0.000 0.220 188 P C 0.813 178.157 177.300 0.073 0.000 1.144 188 P CA 1.086 64.272 63.100 0.143 0.000 0.800 188 P CB 0.002 31.887 31.700 0.308 0.000 0.772 189 S N -1.440 114.307 115.700 0.079 0.000 2.561 189 S HA -0.015 4.454 4.470 -0.000 0.000 0.225 189 S C 1.364 175.967 174.600 0.006 0.000 0.977 189 S CA 0.548 58.765 58.200 0.027 0.000 0.926 189 S CB -0.745 62.474 63.200 0.031 0.000 0.769 189 S HN 0.231 nan 8.310 nan 0.000 0.533 190 E N 0.318 120.522 120.200 0.007 0.000 2.501 190 E HA 0.378 4.727 4.350 -0.000 0.000 0.201 190 E C -0.499 176.072 176.600 -0.049 0.000 1.016 190 E CA -0.126 56.269 56.400 -0.007 0.000 0.920 190 E CB 0.413 30.122 29.700 0.015 0.000 1.023 190 E HN 0.501 nan 8.360 nan 0.000 0.474 191 L N 0.807 121.981 121.223 -0.081 0.000 2.342 191 L HA 0.331 4.671 4.340 -0.000 0.000 0.271 191 L C -0.186 176.614 176.870 -0.117 0.000 1.008 191 L CA -1.234 53.512 54.840 -0.158 0.000 0.818 191 L CB 1.674 43.553 42.059 -0.299 0.000 1.296 191 L HN -0.098 nan 8.230 nan 0.000 0.427 192 D N 1.229 121.559 120.400 -0.116 0.000 2.488 192 D HA 0.059 4.698 4.640 -0.000 0.000 0.238 192 D C 0.982 177.236 176.300 -0.078 0.000 1.138 192 D CA 0.594 54.548 54.000 -0.076 0.000 0.873 192 D CB 1.565 42.331 40.800 -0.056 0.000 1.183 192 D HN 0.611 nan 8.370 nan 0.000 0.458 193 A N 2.846 125.628 122.820 -0.062 0.000 2.139 193 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 193 A C 2.127 179.676 177.584 -0.059 0.000 1.159 193 A CA 1.914 53.911 52.037 -0.067 0.000 0.662 193 A CB -0.794 18.166 19.000 -0.068 0.000 0.796 193 A HN 0.629 nan 8.150 nan 0.000 0.463 194 S N -0.675 114.999 115.700 -0.043 0.000 2.423 194 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 194 S C 1.680 176.271 174.600 -0.016 0.000 1.014 194 S CA 1.168 59.352 58.200 -0.026 0.000 0.965 194 S CB -0.745 62.451 63.200 -0.007 0.000 0.785 194 S HN 0.244 nan 8.310 nan 0.000 0.495 195 V N 3.102 123.009 119.914 -0.013 0.000 2.223 195 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 195 V C 3.203 179.353 176.094 0.093 0.000 1.045 195 V CA 2.368 64.701 62.300 0.055 0.000 1.000 195 V CB -1.586 30.189 31.823 -0.081 0.000 0.635 195 V HN 0.851 nan 8.190 nan 0.000 0.445 196 T N -1.234 113.352 114.554 0.053 0.000 2.995 196 T HA 0.004 4.354 4.350 -0.000 0.000 0.269 196 T C 1.840 176.520 174.700 -0.033 0.000 1.091 196 T CA 1.080 63.215 62.100 0.059 0.000 1.128 196 T CB -0.402 68.424 68.868 -0.069 0.000 0.891 196 T HN 0.459 nan 8.240 nan 0.000 0.492 197 A N 2.236 125.019 122.820 -0.062 0.000 2.032 197 A HA -0.113 4.207 4.320 -0.000 0.000 0.221 197 A C 2.494 180.046 177.584 -0.053 0.000 1.165 197 A CA 1.324 53.315 52.037 -0.076 0.000 0.645 197 A CB -0.738 18.223 19.000 -0.066 0.000 0.807 197 A HN 0.556 nan 8.150 nan 0.000 0.453 198 R N -1.003 119.480 120.500 -0.028 0.000 2.200 198 R HA -0.046 4.294 4.340 -0.000 0.000 0.234 198 R C -0.242 176.016 176.300 -0.069 0.000 1.127 198 R CA 0.912 56.989 56.100 -0.038 0.000 0.989 198 R CB -0.276 29.999 30.300 -0.041 0.000 0.869 198 R HN 0.325 nan 8.270 nan 0.000 0.459 199 V N 3.834 123.728 119.914 -0.032 0.000 2.311 199 V HA 0.203 4.323 4.120 -0.000 0.000 0.275 199 V C -1.907 174.153 176.094 -0.057 0.000 1.022 199 V CA -1.941 60.310 62.300 -0.080 0.000 0.830 199 V CB 1.280 33.148 31.823 0.075 0.000 1.012 199 V HN 0.057 nan 8.190 nan 0.000 0.452 200 P HA 0.238 nan 4.420 nan 0.000 0.272 200 P C -0.251 176.985 177.300 -0.107 0.000 1.230 200 P CA -0.032 62.999 63.100 -0.116 0.000 0.788 200 P CB 0.755 32.379 31.700 -0.127 0.000 0.949 201 T N -0.474 114.006 114.554 -0.123 0.000 2.859 201 T HA 0.671 5.021 4.350 -0.000 0.000 0.281 201 T C 0.010 174.647 174.700 -0.105 0.000 1.005 201 T CA -0.924 61.087 62.100 -0.148 0.000 1.025 201 T CB 1.581 70.289 68.868 -0.266 0.000 0.977 201 T HN 0.341 nan 8.240 nan 0.000 0.458 202 R N 0.545 121.017 120.500 -0.046 0.000 2.854 202 R HA 0.636 4.976 4.340 -0.000 0.000 0.271 202 R C 0.826 177.209 176.300 0.138 0.000 0.994 202 R CA -0.815 55.291 56.100 0.010 0.000 0.945 202 R CB 1.739 32.015 30.300 -0.040 0.000 1.194 202 R HN 0.892 nan 8.270 nan 0.000 0.476 203 T N -3.304 111.301 114.554 0.085 0.000 3.010 203 T HA 0.032 4.382 4.350 -0.000 0.000 0.257 203 T C 0.603 175.268 174.700 -0.058 0.000 1.020 203 T CA -0.313 61.820 62.100 0.056 0.000 0.938 203 T CB -0.235 68.650 68.868 0.027 0.000 1.049 203 T HN 0.580 nan 8.240 nan 0.000 0.522 204 N N 1.843 120.505 118.700 -0.064 0.000 2.366 204 N HA 0.229 4.969 4.740 -0.000 0.000 0.277 204 N C 0.311 175.773 175.510 -0.080 0.000 1.275 204 N CA -0.930 52.064 53.050 -0.094 0.000 0.964 204 N CB 0.419 38.852 38.487 -0.091 0.000 1.167 204 N HN 0.124 nan 8.380 nan 0.000 0.568 205 R N -1.615 118.835 120.500 -0.083 0.000 2.552 205 R HA 0.164 4.504 4.340 -0.000 0.000 0.314 205 R C -0.645 175.610 176.300 -0.075 0.000 1.041 205 R CA -0.465 55.590 56.100 -0.075 0.000 1.076 205 R CB -0.225 30.033 30.300 -0.071 0.000 1.290 205 R HN 0.568 nan 8.270 nan 0.000 0.563 206 D N 2.231 122.584 120.400 -0.079 0.000 2.401 206 D HA -0.046 4.594 4.640 -0.000 0.000 0.254 206 D C 0.329 176.572 176.300 -0.094 0.000 1.192 206 D CA 0.149 54.099 54.000 -0.084 0.000 0.885 206 D CB 0.732 41.481 40.800 -0.086 0.000 1.147 206 D HN 0.199 nan 8.370 nan 0.000 0.478 207 N N 2.835 121.478 118.700 -0.095 0.000 2.214 207 N HA 0.026 4.766 4.740 -0.000 0.000 0.214 207 N C -0.015 175.421 175.510 -0.123 0.000 1.132 207 N CA -0.361 52.625 53.050 -0.107 0.000 0.856 207 N CB 0.054 38.482 38.487 -0.098 0.000 1.020 207 N HN 0.153 nan 8.380 nan 0.000 0.509 208 R N -0.245 120.181 120.500 -0.123 0.000 2.539 208 R HA 0.106 4.446 4.340 -0.000 0.000 0.275 208 R C 0.319 176.514 176.300 -0.176 0.000 1.077 208 R CA -0.436 55.583 56.100 -0.135 0.000 1.097 208 R CB 0.460 30.698 30.300 -0.103 0.000 1.018 208 R HN 0.070 nan 8.270 nan 0.000 0.483 209 Y N 1.634 121.676 120.300 -0.431 0.000 2.314 209 Y HA 0.057 4.606 4.550 -0.000 0.000 0.293 209 Y C -0.255 175.147 175.900 -0.831 0.000 1.129 209 Y CA 1.052 58.742 58.100 -0.683 0.000 1.201 209 Y CB 0.402 38.317 38.460 -0.907 0.000 0.999 209 Y HN 0.370 nan 8.280 nan 0.000 0.541 210 F N -1.876 118.003 119.950 -0.119 0.000 2.546 210 F HA 0.580 5.107 4.527 -0.000 0.000 0.320 210 F C 0.589 176.290 175.800 -0.165 0.000 1.076 210 F CA -0.680 57.190 58.000 -0.215 0.000 0.928 210 F CB 1.628 40.447 39.000 -0.303 0.000 1.189 210 F HN -0.231 nan 8.300 nan 0.000 0.465 211 A N 0.495 123.334 122.820 0.031 0.000 2.503 211 A HA 0.283 4.602 4.320 -0.000 0.000 0.263 211 A C -0.226 177.328 177.584 -0.049 0.000 1.258 211 A CA -0.350 51.666 52.037 -0.033 0.000 0.936 211 A CB -0.609 18.355 19.000 -0.061 0.000 1.070 211 A HN 0.691 nan 8.150 nan 0.000 0.522 212 D N -0.078 120.309 120.400 -0.021 0.000 2.390 212 D HA 0.138 4.778 4.640 -0.000 0.000 0.236 212 D C 1.319 177.507 176.300 -0.186 0.000 1.189 212 D CA 0.783 54.736 54.000 -0.077 0.000 0.887 212 D CB 0.590 41.361 40.800 -0.048 0.000 1.198 212 D HN 0.123 nan 8.370 nan 0.000 0.444 213 T N -0.070 114.311 114.554 -0.288 0.000 2.812 213 T HA -0.112 4.238 4.350 -0.000 0.000 0.264 213 T C 0.258 174.470 174.700 -0.814 0.000 1.042 213 T CA 1.135 62.888 62.100 -0.579 0.000 1.140 213 T CB -0.206 68.178 68.868 -0.806 0.000 0.870 213 T HN 0.329 nan 8.240 nan 0.000 0.445 214 Y N 1.700 121.769 120.300 -0.386 0.000 2.402 214 Y HA 0.489 5.038 4.550 -0.000 0.000 0.332 214 Y C 0.102 175.712 175.900 -0.484 0.000 0.960 214 Y CA -1.016 56.709 58.100 -0.623 0.000 1.228 214 Y CB 0.713 38.549 38.460 -1.041 0.000 1.120 214 Y HN 0.004 nan 8.280 nan 0.000 0.491 215 Q N 3.172 122.837 119.800 -0.225 0.000 2.401 215 Q HA 0.821 5.161 4.340 -0.000 0.000 0.260 215 Q C -1.061 174.977 176.000 0.064 0.000 1.034 215 Q CA -0.743 55.014 55.803 -0.076 0.000 0.737 215 Q CB 2.008 30.721 28.738 -0.042 0.000 1.227 215 Q HN 0.766 nan 8.270 nan 0.000 0.488 216 A N 2.827 125.779 122.820 0.220 0.000 2.604 216 A HA 0.747 5.067 4.320 -0.000 0.000 0.295 216 A C -1.311 176.732 177.584 0.766 0.000 1.067 216 A CA -0.764 51.540 52.037 0.445 0.000 0.683 216 A CB 1.543 20.775 19.000 0.386 0.000 1.281 216 A HN 0.499 nan 8.150 nan 0.000 0.407 217 M N 1.363 121.369 119.600 0.676 0.000 2.363 217 M HA 0.390 4.870 4.480 -0.000 0.000 0.343 217 M C -2.583 173.841 176.300 0.207 0.000 1.165 217 M CA -2.558 53.022 55.300 0.467 0.000 1.046 217 M CB 0.748 33.501 32.600 0.255 0.000 1.648 217 M HN 0.266 nan 8.290 nan 0.000 0.452 218 P HA -0.012 nan 4.420 nan 0.000 0.262 218 P C 0.931 177.944 177.300 -0.478 0.000 1.199 218 P CA -0.065 62.572 63.100 -0.773 0.000 0.763 218 P CB 0.235 31.398 31.700 -0.895 0.000 0.790 219 L N 4.574 125.502 121.223 -0.490 0.000 2.089 219 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 219 L C 1.288 177.840 176.870 -0.530 0.000 1.079 219 L CA 2.120 56.669 54.840 -0.486 0.000 0.758 219 L CB -0.721 40.942 42.059 -0.659 0.000 0.891 219 L HN 0.483 nan 8.230 nan 0.000 0.433 220 H N -0.752 118.201 119.070 -0.195 0.000 2.469 220 H HA 0.539 5.095 4.556 -0.000 0.000 0.286 220 H C 0.868 176.092 175.328 -0.174 0.000 1.106 220 H CA 0.363 56.329 56.048 -0.136 0.000 1.055 220 H CB -0.378 29.322 29.762 -0.104 0.000 1.618 220 H HN 0.342 nan 8.280 nan 0.000 0.559 221 G N 0.045 108.731 108.800 -0.190 0.000 2.707 221 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.686 221 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.686 221 G C 0.059 174.778 174.900 -0.303 0.000 1.315 221 G CA -0.448 44.517 45.100 -0.226 0.000 0.832 221 G HN 0.260 nan 8.290 nan 0.000 0.573 222 Y N 0.251 120.463 120.300 -0.148 0.000 2.263 222 Y HA -0.017 4.533 4.550 -0.000 0.000 0.292 222 Y C 3.350 179.226 175.900 -0.041 0.000 1.130 222 Y CA 2.170 60.181 58.100 -0.149 0.000 1.179 222 Y CB -0.381 38.044 38.460 -0.058 0.000 0.998 222 Y HN 0.629 nan 8.280 nan 0.000 0.532 223 T N 0.116 114.737 114.554 0.112 0.000 2.720 223 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 223 T C 2.010 176.753 174.700 0.072 0.000 1.037 223 T CA 1.197 63.371 62.100 0.124 0.000 1.144 223 T CB -0.134 68.694 68.868 -0.066 0.000 0.864 223 T HN 0.198 nan 8.240 nan 0.000 0.444 224 R N 0.726 121.215 120.500 -0.018 0.000 2.083 224 R HA 0.003 4.343 4.340 -0.000 0.000 0.237 224 R C 2.477 178.723 176.300 -0.089 0.000 1.137 224 R CA 1.188 57.264 56.100 -0.041 0.000 0.951 224 R CB -0.881 29.396 30.300 -0.038 0.000 0.851 224 R HN 0.447 nan 8.270 nan 0.000 0.434 225 M N -0.234 119.255 119.600 -0.185 0.000 2.082 225 M HA -0.212 4.268 4.480 -0.000 0.000 0.258 225 M C 1.881 177.992 176.300 -0.315 0.000 1.069 225 M CA 1.903 57.021 55.300 -0.303 0.000 1.102 225 M CB -0.203 32.105 32.600 -0.487 0.000 1.336 225 M HN 0.018 nan 8.290 nan 0.000 0.404 226 F N 0.388 120.223 119.950 -0.192 0.000 2.146 226 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 226 F C 2.586 178.268 175.800 -0.196 0.000 1.096 226 F CA 1.535 59.397 58.000 -0.232 0.000 1.275 226 F CB -0.487 38.390 39.000 -0.205 0.000 1.008 226 F HN 0.245 nan 8.300 nan 0.000 0.480 227 Q N 0.127 119.960 119.800 0.055 0.000 2.112 227 Q HA -0.242 4.098 4.340 -0.000 0.000 0.206 227 Q C 1.867 177.839 176.000 -0.047 0.000 0.987 227 Q CA 1.658 57.462 55.803 0.002 0.000 0.858 227 Q CB -0.372 28.369 28.738 0.004 0.000 0.905 227 Q HN 0.387 nan 8.270 nan 0.000 0.420 228 N N 0.306 118.965 118.700 -0.069 0.000 2.244 228 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 228 N C 1.500 176.913 175.510 -0.161 0.000 1.016 228 N CA 0.989 54.007 53.050 -0.053 0.000 0.866 228 N CB -0.161 38.334 38.487 0.013 0.000 0.980 228 N HN 0.248 nan 8.380 nan 0.000 0.430 229 M N -0.031 119.337 119.600 -0.388 0.000 2.476 229 M HA 0.042 4.522 4.480 -0.000 0.000 0.262 229 M C 0.389 176.456 176.300 -0.389 0.000 1.079 229 M CA 0.996 55.825 55.300 -0.785 0.000 1.104 229 M CB 0.257 32.364 32.600 -0.822 0.000 1.409 229 M HN 0.013 nan 8.290 nan 0.000 0.467 230 L N -1.019 120.088 121.223 -0.193 0.000 3.066 230 L HA 0.186 4.526 4.340 -0.000 0.000 0.265 230 L C 1.703 178.531 176.870 -0.070 0.000 1.232 230 L CA -0.228 54.543 54.840 -0.116 0.000 1.031 230 L CB 0.107 42.116 42.059 -0.084 0.000 1.379 230 L HN 0.208 nan 8.230 nan 0.000 0.563 231 S N -2.098 113.565 115.700 -0.061 0.000 2.489 231 S HA -0.033 4.437 4.470 -0.000 0.000 0.228 231 S C 1.164 175.758 174.600 -0.009 0.000 0.995 231 S CA -0.037 58.148 58.200 -0.026 0.000 0.934 231 S CB -0.023 63.168 63.200 -0.015 0.000 0.771 231 S HN 0.313 nan 8.310 nan 0.000 0.522 232 S N 3.164 118.859 115.700 -0.008 0.000 2.558 232 S HA 0.150 4.619 4.470 -0.000 0.000 0.293 232 S C -1.684 172.926 174.600 0.017 0.000 1.292 232 S CA -0.986 57.219 58.200 0.010 0.000 1.063 232 S CB 0.561 63.769 63.200 0.012 0.000 0.831 232 S HN 0.163 nan 8.310 nan 0.000 0.499 233 P HA 0.023 nan 4.420 nan 0.000 0.228 233 P C 0.533 177.867 177.300 0.056 0.000 1.151 233 P CA 0.595 63.717 63.100 0.037 0.000 0.770 233 P CB 0.042 31.763 31.700 0.035 0.000 0.786 234 N N -0.592 118.143 118.700 0.059 0.000 2.398 234 N HA 0.076 4.816 4.740 -0.000 0.000 0.188 234 N C 0.264 175.829 175.510 0.092 0.000 1.122 234 N CA 0.377 53.479 53.050 0.088 0.000 0.866 234 N CB 0.062 38.599 38.487 0.084 0.000 0.970 234 N HN 0.248 nan 8.380 nan 0.000 0.462 235 I N 1.680 122.280 120.570 0.050 0.000 2.371 235 I HA 0.164 4.333 4.170 -0.000 0.000 0.282 235 I C -0.337 175.782 176.117 0.003 0.000 1.031 235 I CA -0.819 60.488 61.300 0.012 0.000 1.180 235 I CB 0.818 38.802 38.000 -0.026 0.000 1.336 235 I HN -0.411 nan 8.210 nan 0.000 0.467 236 K N 5.514 125.912 120.400 -0.003 0.000 2.276 236 K HA 0.478 4.798 4.320 -0.000 0.000 0.283 236 K C -0.456 176.085 176.600 -0.099 0.000 1.044 236 K CA -0.524 55.750 56.287 -0.021 0.000 0.944 236 K CB 2.031 34.544 32.500 0.023 0.000 1.012 236 K HN 0.242 nan 8.250 nan 0.000 0.472 237 V N 4.095 123.966 119.914 -0.071 0.000 2.448 237 V HA 0.436 4.556 4.120 -0.000 0.000 0.295 237 V C -0.204 175.839 176.094 -0.084 0.000 1.025 237 V CA -0.783 61.462 62.300 -0.093 0.000 0.859 237 V CB 1.573 33.349 31.823 -0.078 0.000 0.988 237 V HN 0.719 nan 8.190 nan 0.000 0.431 238 M N 6.125 125.661 119.600 -0.108 0.000 2.190 238 M HA 0.657 5.137 4.480 -0.000 0.000 0.312 238 M C -1.640 174.599 176.300 -0.102 0.000 0.990 238 M CA -0.326 54.922 55.300 -0.088 0.000 0.927 238 M CB 1.372 33.921 32.600 -0.086 0.000 1.571 238 M HN 0.545 nan 8.290 nan 0.000 0.427 239 L N 3.006 124.176 121.223 -0.089 0.000 2.286 239 L HA 0.552 4.892 4.340 -0.000 0.000 0.265 239 L C 0.572 177.388 176.870 -0.091 0.000 1.012 239 L CA -1.005 53.767 54.840 -0.113 0.000 0.818 239 L CB 1.370 43.358 42.059 -0.120 0.000 1.337 239 L HN 0.908 nan 8.230 nan 0.000 0.438 240 N N -0.050 118.584 118.700 -0.109 0.000 2.735 240 N HA -0.163 4.577 4.740 -0.000 0.000 0.248 240 N C -1.083 174.391 175.510 -0.059 0.000 1.083 240 N CA 0.992 53.993 53.050 -0.081 0.000 0.703 240 N CB -0.598 37.854 38.487 -0.058 0.000 1.005 240 N HN 0.788 nan 8.380 nan 0.000 0.550 241 T N 0.164 114.677 114.554 -0.068 0.000 3.031 241 T HA 0.143 4.493 4.350 -0.000 0.000 0.305 241 T C -1.101 173.572 174.700 -0.045 0.000 0.985 241 T CA -0.775 61.296 62.100 -0.049 0.000 1.008 241 T CB 1.697 70.537 68.868 -0.047 0.000 1.005 241 T HN 0.120 nan 8.240 nan 0.000 0.444 242 D N 1.760 122.136 120.400 -0.041 0.000 2.351 242 D HA 0.069 4.709 4.640 -0.000 0.000 0.251 242 D C 1.200 177.462 176.300 -0.063 0.000 1.137 242 D CA -0.517 53.465 54.000 -0.030 0.000 0.879 242 D CB 0.823 41.581 40.800 -0.070 0.000 1.181 242 D HN 0.719 nan 8.370 nan 0.000 0.448 243 Y N 3.372 123.620 120.300 -0.088 0.000 2.384 243 Y HA -0.116 4.434 4.550 -0.000 0.000 0.289 243 Y C 1.876 177.702 175.900 -0.123 0.000 1.152 243 Y CA 0.881 58.907 58.100 -0.124 0.000 1.258 243 Y CB -0.203 38.191 38.460 -0.110 0.000 0.979 243 Y HN 0.289 nan 8.280 nan 0.000 0.549 244 R N 0.826 120.810 120.500 -0.860 0.000 2.189 244 R HA -0.077 4.263 4.340 -0.000 0.000 0.218 244 R C 1.746 177.867 176.300 -0.298 0.000 1.074 244 R CA 1.355 57.058 56.100 -0.662 0.000 0.991 244 R CB -0.212 29.699 30.300 -0.648 0.000 0.883 244 R HN 0.605 nan 8.270 nan 0.000 0.457 245 E N 0.549 120.624 120.200 -0.208 0.000 2.347 245 E HA -0.100 4.250 4.350 -0.000 0.000 0.196 245 E C 1.661 178.209 176.600 -0.086 0.000 1.008 245 E CA 0.953 57.309 56.400 -0.073 0.000 0.852 245 E CB 0.189 29.875 29.700 -0.024 0.000 0.783 245 E HN 0.518 nan 8.360 nan 0.000 0.505 246 I N -4.609 115.788 120.570 -0.288 0.000 4.338 246 I HA 0.392 4.562 4.170 -0.000 0.000 0.329 246 I C 1.880 177.605 176.117 -0.654 0.000 1.378 246 I CA -0.080 60.793 61.300 -0.713 0.000 1.170 246 I CB 0.544 38.304 38.000 -0.401 0.000 1.206 246 I HN -0.152 nan 8.210 nan 0.000 0.432 247 A N 1.664 124.303 122.820 -0.301 0.000 1.972 247 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 247 A C 1.753 179.343 177.584 0.011 0.000 1.169 247 A CA 2.128 54.142 52.037 -0.038 0.000 0.635 247 A CB -0.527 18.491 19.000 0.029 0.000 0.810 247 A HN 0.503 nan 8.150 nan 0.000 0.446 248 D N -0.818 119.507 120.400 -0.126 0.000 2.234 248 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 248 D C 1.060 177.411 176.300 0.084 0.000 0.962 248 D CA 1.280 55.288 54.000 0.014 0.000 0.855 248 D CB -0.189 40.669 40.800 0.096 0.000 0.951 248 D HN 0.734 nan 8.370 nan 0.000 0.500 249 F N -1.041 118.964 119.950 0.092 0.000 2.724 249 F HA 0.431 4.958 4.527 -0.000 0.000 0.310 249 F C 0.096 175.966 175.800 0.117 0.000 1.107 249 F CA -0.717 57.331 58.000 0.079 0.000 1.218 249 F CB 0.076 39.108 39.000 0.053 0.000 1.042 249 F HN -0.311 nan 8.300 nan 0.000 0.540 250 I N 3.233 123.812 120.570 0.015 0.000 2.389 250 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 250 I C -2.550 173.746 176.117 0.299 0.000 0.999 250 I CA -2.198 59.214 61.300 0.187 0.000 1.129 250 I CB 1.959 40.047 38.000 0.146 0.000 1.288 250 I HN -0.195 nan 8.210 nan 0.000 0.444 251 P HA 0.196 nan 4.420 nan 0.000 0.279 251 P C -1.097 176.358 177.300 0.258 0.000 1.318 251 P CA 0.063 63.237 63.100 0.123 0.000 0.819 251 P CB -0.264 31.468 31.700 0.053 0.000 0.927 252 F N 0.266 120.276 119.950 0.101 0.000 2.540 252 F HA 0.527 5.054 4.527 -0.000 0.000 0.317 252 F C 0.975 176.793 175.800 0.030 0.000 1.104 252 F CA -0.992 57.071 58.000 0.105 0.000 0.913 252 F CB 1.224 40.285 39.000 0.101 0.000 1.170 252 F HN -0.041 nan 8.300 nan 0.000 0.450 253 Q N 1.254 121.105 119.800 0.085 0.000 2.020 253 Q HA -0.030 4.309 4.340 -0.000 0.000 0.198 253 Q C -0.210 175.802 176.000 0.020 0.000 0.974 253 Q CA 1.623 57.409 55.803 -0.029 0.000 0.829 253 Q CB -0.228 28.477 28.738 -0.055 0.000 0.894 253 Q HN 0.878 nan 8.270 nan 0.000 0.433 254 H N -1.392 117.627 119.070 -0.085 0.000 2.690 254 H HA 0.523 5.079 4.556 -0.000 0.000 0.368 254 H C -1.251 174.176 175.328 0.165 0.000 1.150 254 H CA -0.530 55.486 56.048 -0.054 0.000 1.174 254 H CB 1.457 30.994 29.762 -0.374 0.000 1.684 254 H HN -0.007 nan 8.280 nan 0.000 0.538 255 M N 6.092 125.672 119.600 -0.033 0.000 2.167 255 M HA 0.444 4.924 4.480 -0.000 0.000 0.333 255 M C -1.650 174.665 176.300 0.026 0.000 1.030 255 M CA -0.571 54.738 55.300 0.015 0.000 0.963 255 M CB 0.642 33.230 32.600 -0.021 0.000 1.589 255 M HN 0.543 nan 8.290 nan 0.000 0.431 256 I N 5.218 125.848 120.570 0.100 0.000 2.331 256 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 256 I C -1.411 174.621 176.117 -0.142 0.000 0.998 256 I CA -0.638 60.684 61.300 0.037 0.000 1.267 256 I CB 1.129 39.188 38.000 0.099 0.000 1.386 256 I HN 0.659 nan 8.210 nan 0.000 0.476 257 Y N 5.312 125.349 120.300 -0.438 0.000 2.350 257 Y HA 0.328 4.878 4.550 -0.000 0.000 0.338 257 Y C 0.639 176.295 175.900 -0.406 0.000 0.961 257 Y CA -0.613 57.134 58.100 -0.589 0.000 1.100 257 Y CB 1.751 39.551 38.460 -1.100 0.000 1.179 257 Y HN 0.608 nan 8.280 nan 0.000 0.454 258 T N 1.158 115.202 114.554 -0.850 0.000 3.200 258 T HA 0.442 4.791 4.350 -0.000 0.000 0.284 258 T C 0.559 174.888 174.700 -0.618 0.000 1.009 258 T CA 0.106 61.900 62.100 -0.512 0.000 0.907 258 T CB -0.273 68.431 68.868 -0.273 0.000 1.120 258 T HN 0.745 nan 8.240 nan 0.000 0.534 259 G N 1.959 109.994 108.800 -1.275 0.000 2.532 259 G HA2 0.628 4.588 3.960 -0.000 0.000 0.291 259 G HA3 0.628 4.588 3.960 -0.000 0.000 0.291 259 G C -2.907 171.917 174.900 -0.126 0.000 1.349 259 G CA -2.004 42.689 45.100 -0.678 0.000 1.038 259 G HN 0.138 nan 8.290 nan 0.000 0.518 260 P HA 0.105 nan 4.420 nan 0.000 0.267 260 P C 1.223 178.702 177.300 0.299 0.000 1.205 260 P CA -0.309 62.825 63.100 0.056 0.000 0.765 260 P CB 1.058 32.680 31.700 -0.129 0.000 0.828 261 V N 2.155 122.276 119.914 0.344 0.000 2.307 261 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 261 V C 1.913 177.989 176.094 -0.030 0.000 1.045 261 V CA 2.228 64.700 62.300 0.287 0.000 1.024 261 V CB -1.496 30.532 31.823 0.342 0.000 0.651 261 V HN 0.478 nan 8.190 nan 0.000 0.449 262 D N 2.666 122.877 120.400 -0.316 0.000 2.104 262 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 262 D C 2.044 177.909 176.300 -0.725 0.000 0.994 262 D CA 2.049 55.616 54.000 -0.722 0.000 0.830 262 D CB -0.756 39.821 40.800 -0.372 0.000 0.959 262 D HN 0.495 nan 8.370 nan 0.000 0.452 263 A N -0.388 121.987 122.820 -0.741 0.000 2.024 263 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 263 A C 2.089 179.459 177.584 -0.356 0.000 1.164 263 A CA 1.121 52.630 52.037 -0.880 0.000 0.643 263 A CB -1.191 17.686 19.000 -0.205 0.000 0.806 263 A HN 0.287 nan 8.150 nan 0.000 0.451 264 F N -0.706 119.029 119.950 -0.358 0.000 2.113 264 F HA 0.000 4.527 4.527 -0.000 0.000 0.297 264 F C 1.067 176.595 175.800 -0.453 0.000 1.103 264 F CA 1.199 58.908 58.000 -0.485 0.000 1.248 264 F CB -0.093 38.377 39.000 -0.883 0.000 0.999 264 F HN 0.183 nan 8.300 nan 0.000 0.475 265 F N 1.223 121.217 119.950 0.074 0.000 2.777 265 F HA 0.155 4.682 4.527 -0.000 0.000 0.291 265 F C 0.433 176.232 175.800 -0.001 0.000 1.187 265 F CA -0.227 57.817 58.000 0.074 0.000 1.406 265 F CB -0.714 38.457 39.000 0.285 0.000 0.982 265 F HN -0.045 nan 8.300 nan 0.000 0.509 266 D N -0.119 120.275 120.400 -0.010 0.000 2.882 266 D HA -0.299 4.341 4.640 -0.000 0.000 0.229 266 D C 0.174 176.672 176.300 0.331 0.000 1.167 266 D CA 0.938 55.001 54.000 0.106 0.000 0.759 266 D CB -1.646 39.224 40.800 0.117 0.000 1.088 266 D HN 0.478 nan 8.370 nan 0.000 0.425 267 F N -3.003 117.100 119.950 0.255 0.000 3.091 267 F HA -0.373 4.153 4.527 -0.000 0.000 0.288 267 F C 2.348 178.289 175.800 0.234 0.000 0.907 267 F CA 0.510 58.687 58.000 0.296 0.000 1.028 267 F CB -2.711 36.401 39.000 0.188 0.000 1.022 267 F HN 0.395 nan 8.300 nan 0.000 0.665 268 C N -2.639 116.810 119.300 0.248 0.000 2.422 268 C HA -0.172 4.288 4.460 -0.000 0.000 0.279 268 C C 2.056 176.909 174.990 -0.227 0.000 1.305 268 C CA 1.174 60.136 59.018 -0.094 0.000 1.757 268 C CB -1.268 26.262 27.740 -0.349 0.000 1.962 268 C HN 0.573 nan 8.230 nan 0.000 0.499 269 Y N 2.500 122.830 120.300 0.050 0.000 2.468 269 Y HA 0.477 5.027 4.550 -0.000 0.000 0.268 269 Y C 1.593 177.585 175.900 0.153 0.000 1.177 269 Y CA 0.373 58.447 58.100 -0.044 0.000 1.265 269 Y CB -0.641 37.586 38.460 -0.389 0.000 1.103 269 Y HN 0.733 nan 8.280 nan 0.000 0.522 270 G N 0.435 109.476 108.800 0.400 0.000 2.655 270 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.680 270 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.680 270 G C -1.127 174.062 174.900 0.483 0.000 1.302 270 G CA -1.206 44.111 45.100 0.362 0.000 0.872 270 G HN 0.080 nan 8.290 nan 0.000 0.540 271 K N -0.001 120.614 120.400 0.359 0.000 2.349 271 K HA 0.539 4.859 4.320 -0.000 0.000 0.288 271 K C 0.542 177.331 176.600 0.316 0.000 1.058 271 K CA -0.433 56.088 56.287 0.391 0.000 0.953 271 K CB 0.532 33.173 32.500 0.234 0.000 0.997 271 K HN 0.565 nan 8.250 nan 0.000 0.477 272 L N 7.737 129.149 121.223 0.314 0.000 2.313 272 L HA 0.304 4.644 4.340 -0.000 0.000 0.282 272 L C -1.989 174.964 176.870 0.139 0.000 1.092 272 L CA -2.135 52.795 54.840 0.149 0.000 0.831 272 L CB 1.070 43.128 42.059 -0.003 0.000 1.159 272 L HN 0.595 nan 8.230 nan 0.000 0.442 273 P HA -0.010 nan 4.420 nan 0.000 0.260 273 P C -1.600 175.726 177.300 0.042 0.000 1.185 273 P CA 0.666 63.843 63.100 0.129 0.000 0.763 273 P CB 0.015 31.794 31.700 0.132 0.000 0.776 274 Y N 2.318 122.761 120.300 0.238 0.000 2.338 274 Y HA 0.422 4.972 4.550 -0.000 0.000 0.333 274 Y C 0.834 176.841 175.900 0.178 0.000 0.968 274 Y CA -1.088 57.141 58.100 0.215 0.000 1.123 274 Y CB 1.797 40.361 38.460 0.174 0.000 1.165 274 Y HN 0.159 nan 8.280 nan 0.000 0.452 275 R N 1.718 122.432 120.500 0.358 0.000 2.441 275 R HA 0.532 4.872 4.340 -0.000 0.000 0.284 275 R C -0.351 176.125 176.300 0.294 0.000 1.070 275 R CA 0.091 56.349 56.100 0.264 0.000 1.047 275 R CB 1.150 31.544 30.300 0.157 0.000 1.016 275 R HN 0.635 nan 8.270 nan 0.000 0.477 276 S N 2.309 118.134 115.700 0.208 0.000 2.810 276 S HA 0.795 5.265 4.470 -0.000 0.000 0.315 276 S C -1.423 173.352 174.600 0.291 0.000 1.138 276 S CA -0.758 57.576 58.200 0.223 0.000 0.889 276 S CB 0.681 63.902 63.200 0.035 0.000 1.236 276 S HN 0.409 nan 8.310 nan 0.000 0.548 277 L N 1.206 122.652 121.223 0.371 0.000 2.465 277 L HA 0.566 4.905 4.340 -0.000 0.000 0.257 277 L C -0.934 175.862 176.870 -0.125 0.000 0.988 277 L CA -0.560 54.302 54.840 0.038 0.000 0.827 277 L CB 2.228 44.169 42.059 -0.196 0.000 1.397 277 L HN 0.694 nan 8.230 nan 0.000 0.410 278 E N 1.453 121.519 120.200 -0.224 0.000 2.187 278 E HA 0.567 4.917 4.350 -0.000 0.000 0.268 278 E C -1.791 174.665 176.600 -0.240 0.000 0.896 278 E CA -0.551 55.768 56.400 -0.134 0.000 0.766 278 E CB 1.433 31.150 29.700 0.029 0.000 1.142 278 E HN 0.331 nan 8.360 nan 0.000 0.408 279 F N 2.659 122.759 119.950 0.249 0.000 2.469 279 F HA 0.510 5.037 4.527 -0.000 0.000 0.332 279 F C 0.338 176.234 175.800 0.160 0.000 1.103 279 F CA -0.914 57.191 58.000 0.175 0.000 0.979 279 F CB 1.616 40.685 39.000 0.115 0.000 1.137 279 F HN 0.229 nan 8.300 nan 0.000 0.463 280 R N 2.589 123.273 120.500 0.307 0.000 2.371 280 R HA 0.316 4.656 4.340 -0.000 0.000 0.312 280 R C -1.060 175.346 176.300 0.177 0.000 0.980 280 R CA -0.736 55.518 56.100 0.256 0.000 0.867 280 R CB 1.123 31.593 30.300 0.283 0.000 1.163 280 R HN 0.674 nan 8.270 nan 0.000 0.492 281 H N 2.150 121.360 119.070 0.232 0.000 2.487 281 H HA 0.314 4.870 4.556 -0.000 0.000 0.333 281 H C -0.244 175.173 175.328 0.148 0.000 1.114 281 H CA -0.069 56.096 56.048 0.194 0.000 1.310 281 H CB 1.868 31.711 29.762 0.136 0.000 1.462 281 H HN 0.506 nan 8.280 nan 0.000 0.516 282 E N 1.035 121.389 120.200 0.257 0.000 2.356 282 E HA 0.308 4.658 4.350 -0.000 0.000 0.275 282 E C -1.004 175.637 176.600 0.068 0.000 0.904 282 E CA -0.835 55.638 56.400 0.121 0.000 0.757 282 E CB 2.392 32.185 29.700 0.154 0.000 1.232 282 E HN 0.417 nan 8.360 nan 0.000 0.442 283 T N 1.457 115.958 114.554 -0.088 0.000 2.807 283 T HA 0.455 4.805 4.350 -0.000 0.000 0.279 283 T C -1.111 173.447 174.700 -0.237 0.000 0.993 283 T CA -0.721 61.340 62.100 -0.065 0.000 0.970 283 T CB 0.622 69.466 68.868 -0.039 0.000 0.950 283 T HN 0.330 nan 8.240 nan 0.000 0.441 284 H N 0.639 119.722 119.070 0.022 0.000 2.524 284 H HA 0.363 4.919 4.556 -0.000 0.000 0.353 284 H C -0.306 175.035 175.328 0.021 0.000 1.136 284 H CA -0.814 55.251 56.048 0.028 0.000 1.193 284 H CB 1.171 30.952 29.762 0.032 0.000 1.558 284 H HN 0.451 nan 8.280 nan 0.000 0.515 285 D N 1.516 121.999 120.400 0.138 0.000 3.032 285 D HA 0.060 4.700 4.640 -0.000 0.000 0.241 285 D C -0.398 175.972 176.300 0.117 0.000 1.196 285 D CA 0.320 54.388 54.000 0.113 0.000 0.927 285 D CB -0.190 40.676 40.800 0.110 0.000 1.129 285 D HN 0.453 nan 8.370 nan 0.000 0.458 286 T N -1.286 113.333 114.554 0.109 0.000 2.883 286 T HA 0.239 4.589 4.350 -0.000 0.000 0.296 286 T C 0.919 175.657 174.700 0.063 0.000 1.117 286 T CA -0.528 61.621 62.100 0.082 0.000 1.006 286 T CB 1.502 70.409 68.868 0.064 0.000 1.191 286 T HN 0.007 nan 8.240 nan 0.000 0.508 287 E N 0.372 120.603 120.200 0.052 0.000 2.076 287 E HA 0.028 4.377 4.350 -0.000 0.000 0.190 287 E C 0.514 177.118 176.600 0.006 0.000 0.979 287 E CA 0.571 56.993 56.400 0.038 0.000 0.807 287 E CB 0.300 30.021 29.700 0.036 0.000 0.761 287 E HN 0.466 nan 8.360 nan 0.000 0.454 288 Q N 0.409 120.213 119.800 0.006 0.000 2.271 288 Q HA 0.180 4.520 4.340 -0.000 0.000 0.268 288 Q C -0.511 175.498 176.000 0.014 0.000 1.021 288 Q CA -0.226 55.578 55.803 0.001 0.000 0.802 288 Q CB 1.768 30.502 28.738 -0.006 0.000 1.282 288 Q HN 0.101 nan 8.270 nan 0.000 0.431 289 L N 4.233 125.461 121.223 0.009 0.000 2.470 289 L HA 0.433 4.773 4.340 -0.000 0.000 0.219 289 L C -0.906 175.944 176.870 -0.032 0.000 1.071 289 L CA 0.897 55.706 54.840 -0.051 0.000 0.850 289 L CB 0.701 42.672 42.059 -0.148 0.000 1.040 289 L HN 0.596 nan 8.230 nan 0.000 0.475 290 L N -0.677 120.565 121.223 0.031 0.000 2.333 290 L HA 0.442 4.782 4.340 -0.000 0.000 0.263 290 L C -1.734 175.138 176.870 0.003 0.000 1.014 290 L CA -1.695 53.125 54.840 -0.034 0.000 0.820 290 L CB 1.357 43.327 42.059 -0.149 0.000 1.352 290 L HN -0.300 nan 8.230 nan 0.000 0.421 291 P HA -0.001 nan 4.420 nan 0.000 0.225 291 P C 0.047 177.251 177.300 -0.161 0.000 1.156 291 P CA 0.744 63.809 63.100 -0.060 0.000 0.787 291 P CB 0.246 31.902 31.700 -0.072 0.000 0.802 292 T N -6.432 107.869 114.554 -0.422 0.000 2.618 292 T HA 0.519 4.868 4.350 -0.000 0.000 0.293 292 T C 1.344 175.477 174.700 -0.944 0.000 1.093 292 T CA -0.129 61.603 62.100 -0.613 0.000 1.061 292 T CB 0.691 69.350 68.868 -0.347 0.000 1.498 292 T HN -0.121 nan 8.240 nan 0.000 0.494 293 G N 0.056 108.554 108.800 -0.502 0.000 2.408 293 G HA2 0.325 4.285 3.960 -0.000 0.000 0.217 293 G HA3 0.325 4.285 3.960 -0.000 0.000 0.217 293 G C 0.258 175.080 174.900 -0.130 0.000 1.150 293 G CA 0.845 45.854 45.100 -0.152 0.000 0.776 293 G HN 0.907 nan 8.290 nan 0.000 0.542 294 T N -0.588 113.840 114.554 -0.209 0.000 3.032 294 T HA 0.480 4.830 4.350 -0.000 0.000 0.312 294 T C -1.224 173.314 174.700 -0.270 0.000 1.078 294 T CA -0.458 61.526 62.100 -0.193 0.000 1.028 294 T CB 2.783 71.613 68.868 -0.064 0.000 1.091 294 T HN -0.073 nan 8.240 nan 0.000 0.457 295 V N 3.947 123.703 119.914 -0.263 0.000 2.417 295 V HA 0.491 4.611 4.120 -0.000 0.000 0.291 295 V C -0.281 175.591 176.094 -0.371 0.000 1.024 295 V CA -0.982 61.114 62.300 -0.340 0.000 0.861 295 V CB 1.717 33.315 31.823 -0.376 0.000 0.985 295 V HN 0.745 nan 8.190 nan 0.000 0.436 296 N N 2.697 121.188 118.700 -0.347 0.000 2.508 296 N HA 0.485 5.225 4.740 -0.000 0.000 0.285 296 N C -1.102 174.186 175.510 -0.370 0.000 1.144 296 N CA -0.272 52.675 53.050 -0.172 0.000 0.978 296 N CB 0.988 39.442 38.487 -0.055 0.000 1.180 296 N HN 0.594 nan 8.380 nan 0.000 0.484 297 Y N 0.596 121.002 120.300 0.177 0.000 2.787 297 Y HA 0.303 4.853 4.550 -0.000 0.000 0.352 297 Y C -1.587 174.375 175.900 0.102 0.000 1.027 297 Y CA -1.525 56.643 58.100 0.113 0.000 1.219 297 Y CB 1.705 40.230 38.460 0.109 0.000 1.110 297 Y HN 0.531 nan 8.280 nan 0.000 0.614 298 P HA -0.079 nan 4.420 nan 0.000 0.219 298 P C 0.404 177.737 177.300 0.055 0.000 1.150 298 P CA 1.487 64.679 63.100 0.154 0.000 0.814 298 P CB 0.471 32.169 31.700 -0.003 0.000 0.787 299 N N -1.389 117.331 118.700 0.033 0.000 2.170 299 N HA 0.112 4.851 4.740 -0.000 0.000 0.222 299 N C -0.495 174.997 175.510 -0.030 0.000 1.218 299 N CA 0.225 53.266 53.050 -0.016 0.000 0.889 299 N CB 0.798 39.251 38.487 -0.056 0.000 1.083 299 N HN 0.147 nan 8.380 nan 0.000 0.520 300 D N -0.054 120.356 120.400 0.015 0.000 2.756 300 D HA 0.387 5.027 4.640 -0.000 0.000 0.226 300 D C -0.282 175.939 176.300 -0.131 0.000 1.186 300 D CA -0.165 53.766 54.000 -0.117 0.000 0.845 300 D CB 1.996 42.742 40.800 -0.090 0.000 1.610 300 D HN -0.147 nan 8.370 nan 0.000 0.465 301 Y N -0.633 119.450 120.300 -0.363 0.000 2.499 301 Y HA -0.223 4.326 4.550 -0.000 0.000 0.265 301 Y C 0.968 176.577 175.900 -0.485 0.000 1.669 301 Y CA 0.220 57.968 58.100 -0.585 0.000 1.415 301 Y CB -1.057 36.639 38.460 -1.273 0.000 2.078 301 Y HN 0.477 nan 8.280 nan 0.000 0.266 302 A N -0.476 122.173 122.820 -0.284 0.000 2.095 302 A HA 0.230 4.550 4.320 -0.000 0.000 0.212 302 A C 0.070 177.574 177.584 -0.133 0.000 1.162 302 A CA 0.975 52.962 52.037 -0.083 0.000 0.753 302 A CB -0.414 18.683 19.000 0.163 0.000 0.840 302 A HN 0.642 nan 8.150 nan 0.000 0.468 303 Y N -1.427 118.750 120.300 -0.204 0.000 2.316 303 Y HA 0.503 5.053 4.550 -0.000 0.000 0.324 303 Y C 1.479 177.264 175.900 -0.192 0.000 1.267 303 Y CA -0.340 57.495 58.100 -0.441 0.000 1.311 303 Y CB -0.002 38.010 38.460 -0.747 0.000 1.267 303 Y HN 0.035 nan 8.280 nan 0.000 0.516 304 T N -1.162 113.375 114.554 -0.028 0.000 2.937 304 T HA 0.158 4.507 4.350 -0.000 0.000 0.260 304 T C 0.317 175.134 174.700 0.196 0.000 1.051 304 T CA 0.716 62.738 62.100 -0.130 0.000 1.141 304 T CB -0.189 68.432 68.868 -0.412 0.000 0.879 304 T HN 0.857 nan 8.240 nan 0.000 0.459 305 R N -0.584 120.066 120.500 0.250 0.000 2.712 305 R HA 0.664 5.004 4.340 -0.000 0.000 0.272 305 R C -2.317 173.996 176.300 0.022 0.000 1.032 305 R CA -1.059 55.172 56.100 0.219 0.000 0.874 305 R CB 1.354 31.735 30.300 0.135 0.000 1.256 305 R HN 0.029 nan 8.270 nan 0.000 0.468 306 V N 0.504 120.351 119.914 -0.110 0.000 2.680 306 V HA 0.665 4.785 4.120 -0.000 0.000 0.309 306 V C -0.443 175.437 176.094 -0.357 0.000 1.052 306 V CA -0.798 61.238 62.300 -0.440 0.000 0.908 306 V CB 1.987 33.463 31.823 -0.578 0.000 1.001 306 V HN 0.842 nan 8.190 nan 0.000 0.431 307 S N 1.833 117.259 115.700 -0.456 0.000 2.548 307 S HA 0.557 5.026 4.470 -0.000 0.000 0.286 307 S C -0.881 173.371 174.600 -0.581 0.000 1.098 307 S CA -0.667 57.267 58.200 -0.444 0.000 0.930 307 S CB 2.065 65.007 63.200 -0.431 0.000 1.070 307 S HN 0.852 nan 8.310 nan 0.000 0.480 308 E N 1.659 121.611 120.200 -0.414 0.000 2.186 308 E HA 0.333 4.683 4.350 -0.000 0.000 0.255 308 E C -0.368 176.115 176.600 -0.194 0.000 0.881 308 E CA -0.385 55.851 56.400 -0.274 0.000 0.752 308 E CB 0.414 30.127 29.700 0.022 0.000 1.176 308 E HN 0.613 nan 8.360 nan 0.000 0.421 309 F N 3.041 122.951 119.950 -0.067 0.000 2.216 309 F HA -0.137 4.389 4.527 -0.000 0.000 0.300 309 F C 2.079 177.795 175.800 -0.140 0.000 1.085 309 F CA 0.801 58.705 58.000 -0.160 0.000 1.326 309 F CB 0.012 38.847 39.000 -0.275 0.000 1.027 309 F HN 0.415 nan 8.300 nan 0.000 0.497 310 K N -0.454 119.971 120.400 0.042 0.000 2.103 310 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 310 K C 1.846 178.387 176.600 -0.098 0.000 1.048 310 K CA 1.403 57.661 56.287 -0.048 0.000 0.930 310 K CB -0.414 32.034 32.500 -0.087 0.000 0.716 310 K HN 0.377 nan 8.250 nan 0.000 0.444 311 H N 0.159 119.187 119.070 -0.071 0.000 2.422 311 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 311 H C 2.029 177.182 175.328 -0.291 0.000 1.098 311 H CA 1.429 57.431 56.048 -0.077 0.000 1.315 311 H CB 0.050 29.813 29.762 0.002 0.000 1.382 311 H HN 0.230 nan 8.280 nan 0.000 0.523 312 I N 0.090 120.539 120.570 -0.202 0.000 2.731 312 I HA -0.123 4.047 4.170 -0.000 0.000 0.260 312 I C 2.544 178.448 176.117 -0.355 0.000 1.138 312 I CA 1.120 62.096 61.300 -0.540 0.000 1.461 312 I CB -0.001 37.955 38.000 -0.074 0.000 1.128 312 I HN 0.215 nan 8.210 nan 0.000 0.438 313 T N -1.937 112.527 114.554 -0.150 0.000 3.009 313 T HA 0.146 4.496 4.350 -0.000 0.000 0.258 313 T C 1.690 176.342 174.700 -0.081 0.000 1.063 313 T CA 0.710 62.757 62.100 -0.088 0.000 1.139 313 T CB 0.043 68.868 68.868 -0.072 0.000 0.890 313 T HN 0.455 nan 8.240 nan 0.000 0.471 314 G N 1.385 110.130 108.800 -0.092 0.000 2.147 314 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 314 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 314 G C -0.217 174.673 174.900 -0.017 0.000 1.005 314 G CA 0.229 45.299 45.100 -0.051 0.000 0.713 314 G HN 0.918 nan 8.290 nan 0.000 0.515 315 Q N -0.131 119.662 119.800 -0.012 0.000 2.304 315 Q HA 0.423 4.763 4.340 -0.000 0.000 0.260 315 Q C 0.701 176.731 176.000 0.050 0.000 0.965 315 Q CA -0.656 55.168 55.803 0.035 0.000 0.898 315 Q CB 0.508 29.276 28.738 0.049 0.000 1.196 315 Q HN 0.494 nan 8.270 nan 0.000 0.402 316 R N 3.141 123.684 120.500 0.073 0.000 2.357 316 R HA 0.216 4.555 4.340 -0.000 0.000 0.296 316 R C -1.219 175.174 176.300 0.155 0.000 1.052 316 R CA -0.118 56.030 56.100 0.080 0.000 0.988 316 R CB 0.638 30.969 30.300 0.051 0.000 1.025 316 R HN 0.714 nan 8.270 nan 0.000 0.469 317 H N 2.787 121.870 119.070 0.022 0.000 3.114 317 H HA 0.010 4.566 4.556 -0.000 0.000 0.325 317 H C 0.054 175.392 175.328 0.017 0.000 1.206 317 H CA -0.456 55.607 56.048 0.025 0.000 1.316 317 H CB 0.943 30.696 29.762 -0.016 0.000 1.981 317 H HN 0.959 nan 8.280 nan 0.000 0.527 318 H N 2.029 121.064 119.070 -0.058 0.000 2.495 318 H HA 0.119 4.675 4.556 -0.000 0.000 0.287 318 H C -0.281 175.143 175.328 0.159 0.000 1.033 318 H CA 0.311 56.376 56.048 0.028 0.000 1.307 318 H CB 0.981 30.712 29.762 -0.052 0.000 1.401 318 H HN 0.450 nan 8.280 nan 0.000 0.555 319 Q N 0.201 119.899 119.800 -0.170 0.000 2.699 319 Q HA 0.491 4.831 4.340 -0.000 0.000 0.240 319 Q C -0.726 175.272 176.000 -0.003 0.000 1.033 319 Q CA -0.864 54.891 55.803 -0.080 0.000 0.938 319 Q CB 2.242 30.863 28.738 -0.195 0.000 1.312 319 Q HN 0.174 nan 8.270 nan 0.000 0.507 320 T N -0.373 114.163 114.554 -0.031 0.000 3.012 320 T HA 0.442 4.791 4.350 -0.000 0.000 0.330 320 T C -1.677 173.038 174.700 0.026 0.000 1.321 320 T CA -0.459 61.623 62.100 -0.030 0.000 1.067 320 T CB 1.396 70.270 68.868 0.010 0.000 1.235 320 T HN 0.413 nan 8.240 nan 0.000 0.479 321 S N 2.117 117.833 115.700 0.026 0.000 2.473 321 S HA 0.785 5.255 4.470 -0.000 0.000 0.307 321 S C -0.076 174.606 174.600 0.137 0.000 1.094 321 S CA -0.658 57.610 58.200 0.114 0.000 1.070 321 S CB 1.368 64.632 63.200 0.107 0.000 1.019 321 S HN 0.862 nan 8.310 nan 0.000 0.480 322 V N 0.830 120.809 119.914 0.109 0.000 3.158 322 V HA 0.968 5.088 4.120 -0.000 0.000 0.315 322 V C -0.603 175.437 176.094 -0.089 0.000 1.148 322 V CA -0.783 61.443 62.300 -0.123 0.000 1.042 322 V CB 1.739 33.434 31.823 -0.214 0.000 1.101 322 V HN 0.582 nan 8.190 nan 0.000 0.448 323 V N 0.879 120.575 119.914 -0.363 0.000 2.808 323 V HA 0.646 4.766 4.120 -0.000 0.000 0.308 323 V C -1.792 174.056 176.094 -0.410 0.000 1.099 323 V CA -0.420 61.704 62.300 -0.293 0.000 0.920 323 V CB 2.116 33.793 31.823 -0.244 0.000 1.014 323 V HN 0.875 nan 8.190 nan 0.000 0.425 324 Y N 3.617 123.813 120.300 -0.175 0.000 2.341 324 Y HA 0.588 5.137 4.550 -0.000 0.000 0.337 324 Y C 0.427 176.243 175.900 -0.140 0.000 1.014 324 Y CA -0.512 57.412 58.100 -0.293 0.000 1.111 324 Y CB 1.736 39.887 38.460 -0.514 0.000 1.194 324 Y HN 0.555 nan 8.280 nan 0.000 0.462 325 E N 3.047 123.216 120.200 -0.051 0.000 2.133 325 E HA 0.267 4.617 4.350 -0.000 0.000 0.274 325 E C -1.668 174.823 176.600 -0.182 0.000 0.930 325 E CA -0.749 55.629 56.400 -0.037 0.000 0.770 325 E CB 1.075 30.804 29.700 0.048 0.000 1.104 325 E HN 0.504 nan 8.360 nan 0.000 0.403 326 Y N 3.056 123.341 120.300 -0.025 0.000 2.417 326 Y HA 0.253 4.803 4.550 -0.000 0.000 0.336 326 Y C -2.160 173.697 175.900 -0.072 0.000 0.961 326 Y CA -2.952 55.146 58.100 -0.004 0.000 1.215 326 Y CB 0.816 39.289 38.460 0.022 0.000 1.120 326 Y HN 0.388 nan 8.280 nan 0.000 0.499 327 P HA 0.060 nan 4.420 nan 0.000 0.262 327 P C -0.324 176.989 177.300 0.021 0.000 1.182 327 P CA 0.209 63.285 63.100 -0.040 0.000 0.761 327 P CB 0.664 32.293 31.700 -0.117 0.000 0.795 328 R N 2.171 122.688 120.500 0.028 0.000 2.744 328 R HA 0.541 4.881 4.340 -0.000 0.000 0.279 328 R C 0.800 177.135 176.300 0.058 0.000 0.977 328 R CA -0.884 55.244 56.100 0.048 0.000 0.906 328 R CB 1.841 32.173 30.300 0.053 0.000 1.197 328 R HN 0.369 nan 8.270 nan 0.000 0.463 329 A N 1.533 124.389 122.820 0.060 0.000 1.898 329 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 329 A C 0.362 177.995 177.584 0.083 0.000 1.183 329 A CA 1.207 53.291 52.037 0.078 0.000 0.622 329 A CB 0.048 19.091 19.000 0.071 0.000 0.824 329 A HN 0.575 nan 8.150 nan 0.000 0.444 330 E N -2.113 118.124 120.200 0.062 0.000 2.232 330 E HA 0.574 4.924 4.350 -0.000 0.000 0.265 330 E C 0.226 176.848 176.600 0.035 0.000 1.001 330 E CA 0.716 57.147 56.400 0.052 0.000 0.870 330 E CB 1.489 31.213 29.700 0.040 0.000 1.175 330 E HN 0.797 nan 8.360 nan 0.000 0.407 331 G N 1.304 110.113 108.800 0.014 0.000 2.353 331 G HA2 -0.069 3.890 3.960 -0.000 0.000 0.615 331 G HA3 -0.069 3.890 3.960 -0.000 0.000 0.615 331 G C -1.397 173.433 174.900 -0.117 0.000 1.280 331 G CA -1.001 44.085 45.100 -0.024 0.000 1.000 331 G HN 0.487 nan 8.290 nan 0.000 0.516 332 D N 1.745 122.018 120.400 -0.211 0.000 2.533 332 D HA 0.367 5.006 4.640 -0.000 0.000 0.236 332 D C -1.934 173.979 176.300 -0.645 0.000 1.137 332 D CA 0.108 53.880 54.000 -0.380 0.000 0.867 332 D CB 0.648 41.223 40.800 -0.375 0.000 1.170 332 D HN 0.193 nan 8.370 nan 0.000 0.474 333 P HA -0.001 nan 4.420 nan 0.000 0.261 333 P C -0.296 176.827 177.300 -0.295 0.000 1.203 333 P CA 0.549 63.446 63.100 -0.339 0.000 0.767 333 P CB 0.087 31.443 31.700 -0.573 0.000 0.785 334 Y N 1.048 121.383 120.300 0.059 0.000 2.638 334 Y HA 0.209 4.759 4.550 -0.000 0.000 0.275 334 Y C 0.361 176.118 175.900 -0.238 0.000 1.122 334 Y CA -0.231 57.820 58.100 -0.081 0.000 1.266 334 Y CB 0.449 38.885 38.460 -0.041 0.000 1.317 334 Y HN 0.198 nan 8.280 nan 0.000 0.501 335 Y N 1.197 121.625 120.300 0.215 0.000 2.376 335 Y HA 0.413 4.963 4.550 -0.000 0.000 0.340 335 Y C -2.649 173.316 175.900 0.108 0.000 0.965 335 Y CA -3.247 54.879 58.100 0.044 0.000 1.078 335 Y CB 1.265 39.640 38.460 -0.141 0.000 1.193 335 Y HN -0.193 nan 8.280 nan 0.000 0.452 336 P HA 0.112 nan 4.420 nan 0.000 0.275 336 P C -0.867 176.339 177.300 -0.157 0.000 1.228 336 P CA -0.269 62.552 63.100 -0.465 0.000 0.786 336 P CB 0.880 32.009 31.700 -0.951 0.000 0.927 337 V N 4.603 124.437 119.914 -0.134 0.000 2.259 337 V HA 0.231 4.350 4.120 -0.000 0.000 0.267 337 V C -2.180 173.867 176.094 -0.079 0.000 1.051 337 V CA -1.848 60.458 62.300 0.010 0.000 0.830 337 V CB 0.687 32.596 31.823 0.143 0.000 1.080 337 V HN 0.486 nan 8.190 nan 0.000 0.467 338 P HA 0.309 nan 4.420 nan 0.000 0.269 338 P C -0.312 176.931 177.300 -0.095 0.000 1.263 338 P CA 0.085 63.123 63.100 -0.103 0.000 0.813 338 P CB 0.152 31.793 31.700 -0.098 0.000 0.868 339 R N 2.694 123.187 120.500 -0.011 0.000 2.690 339 R HA 0.417 4.757 4.340 -0.000 0.000 0.269 339 R C -2.824 173.490 176.300 0.023 0.000 1.037 339 R CA -1.877 54.215 56.100 -0.014 0.000 0.877 339 R CB -0.087 30.197 30.300 -0.027 0.000 1.255 339 R HN -0.089 nan 8.270 nan 0.000 0.467 340 P HA -0.309 nan 4.420 nan 0.000 0.215 340 P C 0.927 178.242 177.300 0.025 0.000 1.163 340 P CA 1.999 65.109 63.100 0.017 0.000 0.894 340 P CB 0.063 31.766 31.700 0.006 0.000 0.791 341 E N -0.816 119.399 120.200 0.024 0.000 2.110 341 E HA -0.206 4.143 4.350 -0.000 0.000 0.193 341 E C 1.463 178.085 176.600 0.036 0.000 0.988 341 E CA 1.290 57.705 56.400 0.025 0.000 0.804 341 E CB -1.049 28.667 29.700 0.027 0.000 0.745 341 E HN 0.192 nan 8.360 nan 0.000 0.458 342 N N 1.539 120.273 118.700 0.057 0.000 2.270 342 N HA -0.023 4.716 4.740 -0.000 0.000 0.181 342 N C 1.783 177.334 175.510 0.069 0.000 1.016 342 N CA 1.501 54.593 53.050 0.069 0.000 0.870 342 N CB -0.344 38.229 38.487 0.143 0.000 0.979 342 N HN 0.360 nan 8.380 nan 0.000 0.431 343 A N 0.605 123.489 122.820 0.107 0.000 2.067 343 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 343 A C 2.106 179.747 177.584 0.095 0.000 1.158 343 A CA 1.165 53.286 52.037 0.139 0.000 0.661 343 A CB -0.304 18.765 19.000 0.114 0.000 0.801 343 A HN 0.357 nan 8.150 nan 0.000 0.452 344 E N -0.522 119.699 120.200 0.036 0.000 2.122 344 E HA 0.010 4.360 4.350 -0.000 0.000 0.190 344 E C 1.887 178.451 176.600 -0.059 0.000 0.977 344 E CA 0.353 56.743 56.400 -0.016 0.000 0.820 344 E CB -0.107 29.579 29.700 -0.023 0.000 0.770 344 E HN 0.575 nan 8.360 nan 0.000 0.462 345 L N 0.431 121.638 121.223 -0.027 0.000 2.093 345 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 345 L C 2.386 179.255 176.870 -0.001 0.000 1.085 345 L CA 1.240 56.061 54.840 -0.031 0.000 0.755 345 L CB -0.316 41.770 42.059 0.044 0.000 0.904 345 L HN 0.316 nan 8.230 nan 0.000 0.435 346 Y N 1.151 121.368 120.300 -0.138 0.000 2.128 346 Y HA -0.313 4.237 4.550 -0.000 0.000 0.284 346 Y C 2.478 178.346 175.900 -0.053 0.000 1.154 346 Y CA 1.843 59.848 58.100 -0.157 0.000 1.149 346 Y CB -0.283 37.962 38.460 -0.357 0.000 0.976 346 Y HN 0.040 nan 8.280 nan 0.000 0.505 347 K N 0.317 120.520 120.400 -0.329 0.000 2.152 347 K HA -0.197 4.123 4.320 -0.000 0.000 0.206 347 K C 2.064 178.404 176.600 -0.433 0.000 1.048 347 K CA 1.717 57.754 56.287 -0.417 0.000 0.933 347 K CB -0.129 32.251 32.500 -0.200 0.000 0.721 347 K HN 0.359 nan 8.250 nan 0.000 0.447 348 K N -0.121 119.999 120.400 -0.466 0.000 2.074 348 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 348 K C 2.046 178.259 176.600 -0.646 0.000 1.048 348 K CA 1.787 57.623 56.287 -0.752 0.000 0.926 348 K CB -0.245 31.504 32.500 -1.251 0.000 0.713 348 K HN 0.252 nan 8.250 nan 0.000 0.444 349 Y N 1.014 121.095 120.300 -0.364 0.000 2.286 349 Y HA -0.117 4.433 4.550 -0.000 0.000 0.293 349 Y C 2.485 178.135 175.900 -0.416 0.000 1.124 349 Y CA 0.926 58.878 58.100 -0.247 0.000 1.178 349 Y CB -0.066 38.385 38.460 -0.015 0.000 1.010 349 Y HN 0.181 nan 8.280 nan 0.000 0.536 350 E N 0.519 120.426 120.200 -0.488 0.000 2.160 350 E HA -0.264 4.085 4.350 -0.000 0.000 0.195 350 E C 2.240 178.645 176.600 -0.324 0.000 0.991 350 E CA 0.989 57.078 56.400 -0.519 0.000 0.810 350 E CB -0.111 29.172 29.700 -0.695 0.000 0.742 350 E HN 0.468 nan 8.360 nan 0.000 0.466 351 A N 1.015 123.649 122.820 -0.310 0.000 1.855 351 A HA -0.136 4.183 4.320 -0.000 0.000 0.215 351 A C 2.187 179.633 177.584 -0.231 0.000 1.191 351 A CA 1.114 53.011 52.037 -0.234 0.000 0.613 351 A CB -0.667 18.194 19.000 -0.232 0.000 0.829 351 A HN 0.295 nan 8.150 nan 0.000 0.442 352 L N -0.801 120.214 121.223 -0.346 0.000 2.131 352 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 352 L C 3.006 179.734 176.870 -0.236 0.000 1.092 352 L CA 1.099 55.644 54.840 -0.491 0.000 0.759 352 L CB -0.689 40.624 42.059 -1.244 0.000 0.903 352 L HN 0.475 nan 8.230 nan 0.000 0.435 353 A N -0.202 122.472 122.820 -0.243 0.000 1.897 353 A HA -0.170 4.149 4.320 -0.000 0.000 0.215 353 A C 1.900 179.379 177.584 -0.174 0.000 1.181 353 A CA 1.533 53.325 52.037 -0.409 0.000 0.620 353 A CB -0.366 17.956 19.000 -1.131 0.000 0.821 353 A HN 0.284 nan 8.150 nan 0.000 0.443 354 D N 0.102 120.426 120.400 -0.128 0.000 2.178 354 D HA 0.009 4.649 4.640 -0.000 0.000 0.202 354 D C 2.092 178.411 176.300 0.033 0.000 0.974 354 D CA 1.325 55.314 54.000 -0.019 0.000 0.841 354 D CB -0.224 40.554 40.800 -0.036 0.000 0.953 354 D HN 0.417 nan 8.370 nan 0.000 0.478 355 A N 0.818 123.647 122.820 0.015 0.000 1.970 355 A HA 0.224 4.543 4.320 -0.000 0.000 0.216 355 A C 1.460 179.112 177.584 0.114 0.000 1.170 355 A CA 0.760 52.823 52.037 0.045 0.000 0.645 355 A CB -0.496 18.509 19.000 0.007 0.000 0.816 355 A HN 0.184 nan 8.150 nan 0.000 0.447 356 A N 0.647 123.582 122.820 0.191 0.000 2.540 356 A HA 0.190 4.510 4.320 -0.000 0.000 0.264 356 A C 1.208 178.916 177.584 0.208 0.000 1.080 356 A CA 0.009 52.213 52.037 0.279 0.000 0.776 356 A CB 0.034 19.325 19.000 0.484 0.000 1.011 356 A HN 0.509 nan 8.150 nan 0.000 0.514 357 Q N 1.623 121.515 119.800 0.153 0.000 1.942 357 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 357 Q C 0.099 176.166 176.000 0.111 0.000 0.987 357 Q CA 1.628 57.504 55.803 0.121 0.000 0.844 357 Q CB -0.151 28.640 28.738 0.088 0.000 0.911 357 Q HN 0.851 nan 8.270 nan 0.000 0.423 358 D N 0.333 120.748 120.400 0.025 0.000 2.706 358 D HA 0.162 4.801 4.640 -0.000 0.000 0.236 358 D C -0.645 175.346 176.300 -0.514 0.000 1.231 358 D CA 0.046 53.929 54.000 -0.195 0.000 0.828 358 D CB 0.587 41.321 40.800 -0.109 0.000 1.015 358 D HN -0.102 nan 8.370 nan 0.000 0.484 359 V N 0.790 120.579 119.914 -0.208 0.000 2.462 359 V HA 0.194 4.314 4.120 -0.000 0.000 0.288 359 V C 0.144 176.287 176.094 0.082 0.000 1.020 359 V CA -0.650 61.551 62.300 -0.164 0.000 0.857 359 V CB 2.019 33.801 31.823 -0.067 0.000 1.013 359 V HN -0.056 nan 8.190 nan 0.000 0.431 360 T N 5.742 120.389 114.554 0.154 0.000 2.771 360 T HA 0.595 4.945 4.350 -0.000 0.000 0.291 360 T C -0.458 174.312 174.700 0.116 0.000 0.954 360 T CA 0.051 62.331 62.100 0.300 0.000 1.045 360 T CB 0.265 69.368 68.868 0.391 0.000 0.917 360 T HN 0.268 nan 8.240 nan 0.000 0.484 361 F N 2.778 122.783 119.950 0.092 0.000 2.410 361 F HA 0.633 5.159 4.527 -0.000 0.000 0.349 361 F C 0.347 176.219 175.800 0.120 0.000 1.117 361 F CA -0.781 57.273 58.000 0.090 0.000 1.104 361 F CB 1.259 40.316 39.000 0.094 0.000 1.122 361 F HN 0.224 nan 8.300 nan 0.000 0.483 362 V N 2.602 122.644 119.914 0.213 0.000 2.969 362 V HA 0.908 5.028 4.120 -0.000 0.000 0.304 362 V C -0.542 175.634 176.094 0.137 0.000 1.192 362 V CA 0.217 62.626 62.300 0.181 0.000 0.962 362 V CB 1.504 33.407 31.823 0.134 0.000 1.045 362 V HN 1.192 nan 8.190 nan 0.000 0.428 363 G N 4.829 113.740 108.800 0.184 0.000 2.459 363 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.685 363 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.685 363 G C 0.109 175.125 174.900 0.192 0.000 1.303 363 G CA 0.186 45.390 45.100 0.172 0.000 0.907 363 G HN 1.352 nan 8.290 nan 0.000 0.632 364 R N -0.235 120.383 120.500 0.197 0.000 2.103 364 R HA -0.083 4.257 4.340 -0.000 0.000 0.242 364 R C 2.124 178.496 176.300 0.121 0.000 1.142 364 R CA 2.341 58.535 56.100 0.155 0.000 0.960 364 R CB -0.338 30.062 30.300 0.167 0.000 0.858 364 R HN 0.557 nan 8.270 nan 0.000 0.439 365 L N -0.337 120.962 121.223 0.126 0.000 2.127 365 L HA 0.080 4.420 4.340 -0.000 0.000 0.203 365 L C 2.758 179.791 176.870 0.272 0.000 1.080 365 L CA 0.874 55.819 54.840 0.175 0.000 0.768 365 L CB -0.473 41.581 42.059 -0.008 0.000 0.924 365 L HN 0.272 nan 8.230 nan 0.000 0.444 366 A N 0.118 123.064 122.820 0.210 0.000 1.969 366 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 366 A C 2.168 180.017 177.584 0.440 0.000 1.169 366 A CA 2.077 54.327 52.037 0.355 0.000 0.635 366 A CB -0.706 18.451 19.000 0.262 0.000 0.810 366 A HN 0.501 nan 8.150 nan 0.000 0.445 367 T N -7.287 107.455 114.554 0.314 0.000 3.092 367 T HA 0.213 4.563 4.350 -0.000 0.000 0.258 367 T C 0.306 175.016 174.700 0.017 0.000 1.031 367 T CA 0.213 62.482 62.100 0.282 0.000 0.925 367 T CB -0.370 68.641 68.868 0.238 0.000 1.036 367 T HN 0.680 nan 8.240 nan 0.000 0.544 368 Y N 2.123 122.338 120.300 -0.142 0.000 3.125 368 Y HA -0.252 4.298 4.550 -0.000 0.000 0.200 368 Y C -0.339 175.353 175.900 -0.346 0.000 1.373 368 Y CA -0.059 57.844 58.100 -0.328 0.000 1.180 368 Y CB -1.783 36.137 38.460 -0.901 0.000 1.381 368 Y HN 0.434 nan 8.280 nan 0.000 0.501 369 R N 1.435 121.750 120.500 -0.309 0.000 2.561 369 R HA 0.262 4.601 4.340 -0.000 0.000 0.297 369 R C -0.888 175.271 176.300 -0.236 0.000 0.969 369 R CA -1.165 54.668 56.100 -0.445 0.000 0.879 369 R CB 1.000 30.726 30.300 -0.956 0.000 1.178 369 R HN 0.161 nan 8.270 nan 0.000 0.445 370 Y N 4.227 124.392 120.300 -0.224 0.000 2.525 370 Y HA 0.034 4.584 4.550 -0.000 0.000 0.337 370 Y C -1.025 174.959 175.900 0.139 0.000 1.248 370 Y CA -0.319 57.797 58.100 0.026 0.000 1.882 370 Y CB -0.421 38.110 38.460 0.118 0.000 1.811 370 Y HN 0.360 nan 8.280 nan 0.000 0.434 371 Y N 2.330 122.816 120.300 0.310 0.000 2.361 371 Y HA 0.298 4.848 4.550 -0.000 0.000 0.332 371 Y C 0.656 176.647 175.900 0.151 0.000 1.101 371 Y CA -1.637 56.563 58.100 0.167 0.000 1.137 371 Y CB 0.838 39.362 38.460 0.108 0.000 1.207 371 Y HN 0.340 nan 8.280 nan 0.000 0.463 372 N N 2.633 121.462 118.700 0.216 0.000 2.445 372 N HA 0.176 4.916 4.740 -0.000 0.000 0.264 372 N C 1.297 176.777 175.510 -0.049 0.000 1.227 372 N CA -0.181 52.909 53.050 0.066 0.000 0.963 372 N CB 0.771 39.226 38.487 -0.053 0.000 1.188 372 N HN 0.690 nan 8.380 nan 0.000 0.491 373 M N 0.359 119.905 119.600 -0.090 0.000 2.089 373 M HA -0.252 4.227 4.480 -0.000 0.000 0.257 373 M C 1.570 177.681 176.300 -0.314 0.000 1.071 373 M CA 1.764 56.902 55.300 -0.270 0.000 1.096 373 M CB -0.414 32.041 32.600 -0.241 0.000 1.330 373 M HN 0.593 nan 8.290 nan 0.000 0.403 374 D N -0.087 120.201 120.400 -0.186 0.000 2.097 374 D HA -0.221 4.419 4.640 -0.000 0.000 0.195 374 D C 1.695 177.881 176.300 -0.191 0.000 0.989 374 D CA 1.557 55.491 54.000 -0.110 0.000 0.827 374 D CB -0.753 39.899 40.800 -0.246 0.000 0.966 374 D HN 0.516 nan 8.370 nan 0.000 0.456 375 Q N 0.304 119.935 119.800 -0.281 0.000 2.135 375 Q HA -0.089 4.251 4.340 -0.000 0.000 0.204 375 Q C 2.661 178.381 176.000 -0.466 0.000 0.981 375 Q CA 1.253 56.791 55.803 -0.442 0.000 0.856 375 Q CB -0.005 28.340 28.738 -0.655 0.000 0.902 375 Q HN 0.222 nan 8.270 nan 0.000 0.425 376 V N 0.065 119.810 119.914 -0.281 0.000 2.427 376 V HA -0.211 3.908 4.120 -0.000 0.000 0.248 376 V C 2.190 178.260 176.094 -0.040 0.000 1.051 376 V CA 1.243 63.496 62.300 -0.078 0.000 1.048 376 V CB -0.362 31.504 31.823 0.073 0.000 0.666 376 V HN 0.187 nan 8.190 nan 0.000 0.456 377 V N 0.385 120.253 119.914 -0.077 0.000 2.261 377 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 377 V C 2.748 178.799 176.094 -0.072 0.000 1.047 377 V CA 2.129 64.418 62.300 -0.018 0.000 1.015 377 V CB -1.170 30.664 31.823 0.018 0.000 0.642 377 V HN 0.559 nan 8.190 nan 0.000 0.446 378 A N -0.970 121.791 122.820 -0.099 0.000 1.892 378 A HA -0.349 3.971 4.320 -0.000 0.000 0.218 378 A C 2.267 179.810 177.584 -0.068 0.000 1.188 378 A CA 2.366 54.345 52.037 -0.097 0.000 0.631 378 A CB -0.668 18.267 19.000 -0.109 0.000 0.822 378 A HN 0.600 nan 8.150 nan 0.000 0.447 379 Q N -0.789 118.969 119.800 -0.070 0.000 2.096 379 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 379 Q C 2.234 178.261 176.000 0.045 0.000 0.982 379 Q CA 1.613 57.422 55.803 0.010 0.000 0.850 379 Q CB -0.307 28.467 28.738 0.060 0.000 0.901 379 Q HN 0.641 nan 8.270 nan 0.000 0.422 380 A N 0.420 123.259 122.820 0.032 0.000 1.969 380 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 380 A C 2.000 179.600 177.584 0.027 0.000 1.169 380 A CA 0.875 52.938 52.037 0.044 0.000 0.635 380 A CB -0.472 18.555 19.000 0.046 0.000 0.810 380 A HN 0.408 nan 8.150 nan 0.000 0.445 381 L N -0.979 120.221 121.223 -0.038 0.000 2.109 381 L HA -0.115 4.224 4.340 -0.000 0.000 0.207 381 L C 3.034 179.947 176.870 0.071 0.000 1.086 381 L CA 0.874 55.688 54.840 -0.043 0.000 0.760 381 L CB -0.456 41.493 42.059 -0.184 0.000 0.910 381 L HN 0.421 nan 8.230 nan 0.000 0.437 382 A N -0.415 122.430 122.820 0.042 0.000 1.898 382 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 382 A C 2.367 179.990 177.584 0.066 0.000 1.181 382 A CA 2.144 54.210 52.037 0.050 0.000 0.620 382 A CB -0.857 18.167 19.000 0.039 0.000 0.819 382 A HN 0.327 nan 8.150 nan 0.000 0.442 383 T N -0.474 114.132 114.554 0.088 0.000 2.720 383 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 383 T C 1.596 176.351 174.700 0.092 0.000 1.037 383 T CA 1.709 63.866 62.100 0.095 0.000 1.144 383 T CB -0.440 68.496 68.868 0.115 0.000 0.864 383 T HN 0.507 nan 8.240 nan 0.000 0.444 384 F N 2.382 122.315 119.950 -0.028 0.000 2.095 384 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 384 F C 2.326 178.109 175.800 -0.029 0.000 1.104 384 F CA 1.395 59.366 58.000 -0.049 0.000 1.232 384 F CB -0.337 38.625 39.000 -0.065 0.000 0.987 384 F HN -0.039 nan 8.300 nan 0.000 0.475 385 R N -0.007 120.377 120.500 -0.193 0.000 2.105 385 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 385 R C 2.410 178.577 176.300 -0.222 0.000 1.135 385 R CA 1.722 57.654 56.100 -0.279 0.000 0.967 385 R CB -0.401 29.856 30.300 -0.071 0.000 0.861 385 R HN 0.311 nan 8.270 nan 0.000 0.442 386 R N 0.039 120.469 120.500 -0.116 0.000 2.092 386 R HA -0.074 4.265 4.340 -0.000 0.000 0.231 386 R C 1.769 178.011 176.300 -0.097 0.000 1.119 386 R CA 0.923 56.981 56.100 -0.070 0.000 0.970 386 R CB -0.287 30.009 30.300 -0.006 0.000 0.864 386 R HN 0.085 nan 8.270 nan 0.000 0.440 387 L N 0.927 122.072 121.223 -0.130 0.000 2.549 387 L HA -0.102 4.237 4.340 -0.000 0.000 0.230 387 L C 0.892 177.657 176.870 -0.174 0.000 1.162 387 L CA 1.497 56.266 54.840 -0.119 0.000 0.834 387 L CB -0.562 41.448 42.059 -0.081 0.000 0.947 387 L HN 0.108 nan 8.230 nan 0.000 0.452 388 Q N 0.000 119.633 119.800 -0.279 0.000 2.315 388 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 388 Q CA 0.000 55.647 55.803 -0.259 0.000 1.022 388 Q CB 0.000 28.465 28.738 -0.454 0.000 1.108 388 Q HN 0.000 nan 8.270 nan 0.000 0.481