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 1oh5_1_B DATA FIRST_RESID 14 DATA SEQUENCE MQQYLRLKAQ HPEILLFYRM GDFYELFYDD AKRASQLLDI SLTXXXXXXX DATA SEQUENCE XXXPMAGIPY HAVENYLAKL VNQGESVAIC EXXXXXXXXX XXXXRKVVRI DATA SEQUENCE VTPGTISDEA LLQERQDNLL AAIWQDSKGF GYATLDISSG RFRLSEPADR DATA SEQUENCE ETMAAELQRT NPAELLYAED FAEMSLIEGR RGLRRRPLWE FEIDTARQQL DATA SEQUENCE NLQFGTRDLV GFGVENAPRG LCAAGCLLQY AKDTQRTTLP HIRSITMERE DATA SEQUENCE QDSIIMDAAT RRNLEITQNL AGGAENTLAS VLDCTVTPMG SRMLKRWLHM DATA SEQUENCE PVRDTRVLLE RQQTIGALQD FTAGLQPVLR QVGDLERILA RLALRTARPR DATA SEQUENCE DLARMRHAFQ QLPELRAQLE TVDSAPVQAL REKMGEFAEL RDLLERAIID DATA SEQUENCE TPPVLVRDGG VIASGYNEEL DEWRALADGA TDYLERLEVR ERERTGLDTL DATA SEQUENCE KVGFNAVHGY YIQISRGQSH LAPINYMRRQ TLKNAERYII PELKEYEDKV DATA SEQUENCE LTSKGKALAL EKQLYEELFD LLLPHLEALQ QSASALAELD VLVNLAERAY DATA SEQUENCE TLNYTCPTFI DKPGIRITEG RHPVVEQVLN EPFIANPLNL SPQRRMLIIT DATA SEQUENCE GPNMGGKSTY MRQTALIALM AYIGSYVPAQ KVEIGPIDRI FTRVGXXXXX DATA SEQUENCE XXXXXTFMVE MTETANILHN ATEYSLVLMD EIGRGTSTYD GLSLAWACAE DATA SEQUENCE NLANKIKALT LFATHYFELT QLPEKMEGVA NVHLDALEHG DTIAFMHSVQ DATA SEQUENCE DGAASKSYGL AVAALAGVPK EVIKRARQKL RELESIS 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.305 176.300 0.008 0.000 1.140 14 M CA 0.000 55.318 55.300 0.030 0.000 0.988 14 M CB 0.000 32.615 32.600 0.025 0.000 1.302 15 Q N 1.001 120.814 119.800 0.021 0.000 2.046 15 Q HA 0.010 4.350 4.340 -0.000 0.000 0.200 15 Q C 0.052 176.053 176.000 0.002 0.000 0.975 15 Q CA 1.730 57.543 55.803 0.017 0.000 0.836 15 Q CB -0.022 28.727 28.738 0.018 0.000 0.896 15 Q HN 0.828 nan 8.270 nan 0.000 0.428 16 Q N 0.126 119.933 119.800 0.011 0.000 2.678 16 Q HA 0.079 4.419 4.340 -0.000 0.000 0.222 16 Q C -0.028 175.989 176.000 0.029 0.000 1.281 16 Q CA -0.077 55.729 55.803 0.005 0.000 0.994 16 Q CB 0.108 28.856 28.738 0.017 0.000 1.452 16 Q HN 0.340 nan 8.270 nan 0.000 0.570 17 Y N 0.423 120.598 120.300 -0.207 0.000 2.450 17 Y HA 0.185 4.735 4.550 -0.000 0.000 0.279 17 Y C 0.370 176.088 175.900 -0.303 0.000 1.106 17 Y CA 0.085 57.988 58.100 -0.328 0.000 1.143 17 Y CB 0.423 38.443 38.460 -0.733 0.000 1.328 17 Y HN 0.347 nan 8.280 nan 0.000 0.553 18 L N 1.115 121.985 121.223 -0.588 0.000 2.275 18 L HA 0.014 4.354 4.340 -0.000 0.000 0.215 18 L C 2.184 178.828 176.870 -0.378 0.000 1.119 18 L CA 1.201 55.688 54.840 -0.589 0.000 0.790 18 L CB -0.546 41.302 42.059 -0.353 0.000 0.919 18 L HN 0.098 nan 8.230 nan 0.000 0.443 19 R N 0.068 120.414 120.500 -0.257 0.000 2.189 19 R HA -0.040 4.300 4.340 -0.000 0.000 0.223 19 R C 1.948 178.154 176.300 -0.155 0.000 1.092 19 R CA 0.995 56.998 56.100 -0.161 0.000 0.989 19 R CB -0.278 29.964 30.300 -0.097 0.000 0.876 19 R HN 0.402 nan 8.270 nan 0.000 0.457 20 L N -0.209 120.895 121.223 -0.198 0.000 2.375 20 L HA 0.035 4.375 4.340 -0.000 0.000 0.215 20 L C 2.199 178.985 176.870 -0.139 0.000 1.108 20 L CA 0.464 55.232 54.840 -0.121 0.000 0.830 20 L CB -0.219 41.831 42.059 -0.016 0.000 0.959 20 L HN -0.042 nan 8.230 nan 0.000 0.457 21 K N 1.608 121.831 120.400 -0.295 0.000 2.148 21 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 21 K C 2.044 178.579 176.600 -0.109 0.000 1.050 21 K CA 1.440 57.601 56.287 -0.211 0.000 0.942 21 K CB -0.235 32.058 32.500 -0.346 0.000 0.724 21 K HN 0.186 nan 8.250 nan 0.000 0.446 22 A N 0.652 123.391 122.820 -0.136 0.000 1.933 22 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 22 A C 2.068 179.589 177.584 -0.106 0.000 1.175 22 A CA 1.735 53.712 52.037 -0.100 0.000 0.628 22 A CB -0.570 18.369 19.000 -0.102 0.000 0.814 22 A HN 0.528 nan 8.150 nan 0.000 0.444 23 Q N -0.627 119.075 119.800 -0.165 0.000 2.112 23 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 23 Q C -0.168 175.545 176.000 -0.478 0.000 0.987 23 Q CA 1.496 57.089 55.803 -0.351 0.000 0.858 23 Q CB -0.200 28.253 28.738 -0.475 0.000 0.905 23 Q HN 0.961 nan 8.270 nan 0.000 0.420 24 H N -2.472 116.592 119.070 -0.009 0.000 3.108 24 H HA 0.202 4.758 4.556 -0.000 0.000 0.301 24 H C -2.416 172.918 175.328 0.010 0.000 1.139 24 H CA -2.158 53.893 56.048 0.006 0.000 1.552 24 H CB 1.455 31.224 29.762 0.012 0.000 1.663 24 H HN 0.023 nan 8.280 nan 0.000 0.517 25 P HA -0.148 nan 4.420 nan 0.000 0.218 25 P C 1.617 178.972 177.300 0.092 0.000 1.152 25 P CA 0.902 64.049 63.100 0.079 0.000 0.826 25 P CB 0.413 32.144 31.700 0.051 0.000 0.790 26 E N 0.304 120.561 120.200 0.096 0.000 2.516 26 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 26 E C 0.241 176.890 176.600 0.082 0.000 1.069 26 E CA 0.401 56.853 56.400 0.087 0.000 0.876 26 E CB -0.466 29.282 29.700 0.079 0.000 0.843 26 E HN 0.288 nan 8.360 nan 0.000 0.530 27 I N 1.878 122.497 120.570 0.082 0.000 2.404 27 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 27 I C 0.171 176.332 176.117 0.074 0.000 0.992 27 I CA -1.053 60.277 61.300 0.049 0.000 1.149 27 I CB 1.835 39.823 38.000 -0.019 0.000 1.315 27 I HN -0.099 nan 8.210 nan 0.000 0.446 28 L N 6.137 127.411 121.223 0.084 0.000 2.462 28 L HA 0.132 4.472 4.340 -0.000 0.000 0.272 28 L C -0.335 176.648 176.870 0.187 0.000 1.166 28 L CA -0.231 54.703 54.840 0.156 0.000 0.880 28 L CB 0.363 42.533 42.059 0.186 0.000 1.142 28 L HN 0.398 nan 8.230 nan 0.000 0.473 29 L N 5.064 126.449 121.223 0.270 0.000 2.264 29 L HA 0.445 4.785 4.340 -0.000 0.000 0.287 29 L C -0.314 176.874 176.870 0.530 0.000 1.039 29 L CA 0.031 55.068 54.840 0.327 0.000 0.829 29 L CB 0.154 42.379 42.059 0.277 0.000 1.211 29 L HN 0.152 nan 8.230 nan 0.000 0.427 30 F N 4.707 124.778 119.950 0.202 0.000 2.496 30 F HA 0.222 4.749 4.527 -0.000 0.000 0.344 30 F C -0.188 175.861 175.800 0.414 0.000 1.155 30 F CA 0.168 58.319 58.000 0.252 0.000 1.302 30 F CB 0.295 39.314 39.000 0.031 0.000 1.159 30 F HN 0.443 nan 8.300 nan 0.000 0.595 31 Y N 2.101 122.661 120.300 0.433 0.000 2.323 31 Y HA 0.356 4.906 4.550 -0.000 0.000 0.322 31 Y C -0.232 175.766 175.900 0.164 0.000 1.133 31 Y CA -1.322 56.936 58.100 0.264 0.000 1.093 31 Y CB 0.724 39.164 38.460 -0.033 0.000 1.203 31 Y HN 0.604 nan 8.280 nan 0.000 0.427 32 R N 4.965 125.277 120.500 -0.313 0.000 2.585 32 R HA 0.279 4.618 4.340 -0.000 0.000 0.275 32 R C -0.621 175.424 176.300 -0.424 0.000 1.018 32 R CA 0.786 56.597 56.100 -0.482 0.000 1.072 32 R CB 0.292 30.322 30.300 -0.451 0.000 0.953 32 R HN 0.714 nan 8.270 nan 0.000 0.419 33 M N 4.355 123.810 119.600 -0.241 0.000 4.568 33 M HA 0.204 4.684 4.480 -0.000 0.000 0.533 33 M C 0.216 176.492 176.300 -0.040 0.000 2.143 33 M CA 0.434 55.682 55.300 -0.087 0.000 0.483 33 M CB 0.436 33.048 32.600 0.021 0.000 1.438 33 M HN 0.922 nan 8.290 nan 0.000 0.591 34 G N 1.620 110.356 108.800 -0.106 0.000 3.185 34 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 34 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 34 G C -0.088 174.726 174.900 -0.143 0.000 1.754 34 G CA 0.166 45.226 45.100 -0.067 0.000 1.225 34 G HN 0.371 nan 8.290 nan 0.000 0.539 35 D N 1.066 121.428 120.400 -0.063 0.000 2.501 35 D HA 0.549 5.189 4.640 -0.000 0.000 0.224 35 D C -0.125 175.819 176.300 -0.594 0.000 1.202 35 D CA 0.174 53.977 54.000 -0.329 0.000 0.829 35 D CB 0.256 40.834 40.800 -0.371 0.000 1.023 35 D HN 0.252 nan 8.370 nan 0.000 0.499 36 F N -0.627 119.191 119.950 -0.221 0.000 2.675 36 F HA 0.502 5.029 4.527 -0.000 0.000 0.324 36 F C -0.827 174.750 175.800 -0.372 0.000 1.106 36 F CA -1.313 56.580 58.000 -0.179 0.000 0.970 36 F CB 1.353 40.293 39.000 -0.100 0.000 1.385 36 F HN -0.323 nan 8.300 nan 0.000 0.489 37 Y N 0.595 120.965 120.300 0.116 0.000 2.341 37 Y HA 0.503 5.053 4.550 -0.000 0.000 0.338 37 Y C -0.536 175.312 175.900 -0.087 0.000 0.965 37 Y CA -0.800 57.295 58.100 -0.009 0.000 1.108 37 Y CB 1.767 40.175 38.460 -0.086 0.000 1.180 37 Y HN 0.435 nan 8.280 nan 0.000 0.458 38 E N 2.760 123.051 120.200 0.151 0.000 2.227 38 E HA 0.701 5.051 4.350 -0.000 0.000 0.268 38 E C -1.538 175.185 176.600 0.204 0.000 0.907 38 E CA -0.813 55.661 56.400 0.124 0.000 0.786 38 E CB 1.990 31.770 29.700 0.133 0.000 1.191 38 E HN 0.413 nan 8.360 nan 0.000 0.411 39 L N 1.967 123.322 121.223 0.220 0.000 2.341 39 L HA 0.587 4.927 4.340 -0.000 0.000 0.267 39 L C -1.071 176.085 176.870 0.477 0.000 1.009 39 L CA -0.367 54.674 54.840 0.335 0.000 0.819 39 L CB 1.157 43.352 42.059 0.226 0.000 1.323 39 L HN 0.500 nan 8.230 nan 0.000 0.425 40 F N 0.181 120.256 119.950 0.210 0.000 2.577 40 F HA 0.541 5.068 4.527 -0.000 0.000 0.318 40 F C -0.080 175.919 175.800 0.332 0.000 1.065 40 F CA -0.328 57.824 58.000 0.254 0.000 0.929 40 F CB 1.566 40.754 39.000 0.313 0.000 1.237 40 F HN 0.331 nan 8.300 nan 0.000 0.468 41 Y N 0.338 120.743 120.300 0.176 0.000 2.887 41 Y HA -0.406 4.144 4.550 -0.000 0.000 0.467 41 Y C 1.501 177.461 175.900 0.099 0.000 1.191 41 Y CA 1.342 59.518 58.100 0.126 0.000 2.537 41 Y CB -1.203 37.353 38.460 0.161 0.000 1.225 41 Y HN 0.569 nan 8.280 nan 0.000 0.630 42 D N 0.424 120.989 120.400 0.276 0.000 2.363 42 D HA 0.034 4.674 4.640 -0.000 0.000 0.220 42 D C 1.011 177.412 176.300 0.169 0.000 0.994 42 D CA 1.156 55.254 54.000 0.162 0.000 0.890 42 D CB -0.358 40.530 40.800 0.146 0.000 0.906 42 D HN 0.420 nan 8.370 nan 0.000 0.530 43 D N 0.089 120.622 120.400 0.222 0.000 2.355 43 D HA 0.076 4.716 4.640 -0.000 0.000 0.218 43 D C 1.682 178.104 176.300 0.203 0.000 1.004 43 D CA 0.241 54.375 54.000 0.223 0.000 0.880 43 D CB 0.265 41.230 40.800 0.274 0.000 0.911 43 D HN 0.170 nan 8.370 nan 0.000 0.528 44 A N 0.364 123.285 122.820 0.169 0.000 1.920 44 A HA 0.002 4.322 4.320 -0.000 0.000 0.209 44 A C 2.058 179.690 177.584 0.080 0.000 1.229 44 A CA 0.295 52.398 52.037 0.111 0.000 0.671 44 A CB 0.130 19.170 19.000 0.067 0.000 0.886 44 A HN -0.129 nan 8.150 nan 0.000 0.461 45 K N 0.433 120.874 120.400 0.067 0.000 2.034 45 K HA -0.154 4.166 4.320 -0.000 0.000 0.214 45 K C 2.172 178.809 176.600 0.061 0.000 1.051 45 K CA 1.748 58.063 56.287 0.047 0.000 0.931 45 K CB -0.348 32.173 32.500 0.035 0.000 0.715 45 K HN 0.417 nan 8.250 nan 0.000 0.446 46 R N -0.312 120.237 120.500 0.082 0.000 2.075 46 R HA -0.051 4.289 4.340 -0.000 0.000 0.232 46 R C 2.259 178.617 176.300 0.097 0.000 1.126 46 R CA 1.191 57.343 56.100 0.086 0.000 0.963 46 R CB -0.286 30.073 30.300 0.099 0.000 0.858 46 R HN 0.183 nan 8.270 nan 0.000 0.435 47 A N 0.035 122.928 122.820 0.122 0.000 2.119 47 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 47 A C 2.067 179.722 177.584 0.119 0.000 1.153 47 A CA 1.463 53.587 52.037 0.145 0.000 0.692 47 A CB -0.224 18.886 19.000 0.184 0.000 0.799 47 A HN 0.292 nan 8.150 nan 0.000 0.458 48 S N -0.361 115.393 115.700 0.090 0.000 2.439 48 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 48 S C 2.105 176.740 174.600 0.059 0.000 1.029 48 S CA 1.071 59.315 58.200 0.072 0.000 0.946 48 S CB -0.319 62.912 63.200 0.052 0.000 0.797 48 S HN 0.781 nan 8.310 nan 0.000 0.504 49 Q N 0.009 119.842 119.800 0.055 0.000 2.378 49 Q HA 0.137 4.477 4.340 -0.000 0.000 0.205 49 Q C 1.673 177.697 176.000 0.041 0.000 0.954 49 Q CA 1.069 56.898 55.803 0.042 0.000 0.901 49 Q CB -0.120 28.642 28.738 0.039 0.000 0.981 49 Q HN 0.546 nan 8.270 nan 0.000 0.483 50 L N -0.606 120.648 121.223 0.052 0.000 2.349 50 L HA 0.127 4.467 4.340 -0.000 0.000 0.200 50 L C 2.035 178.921 176.870 0.028 0.000 1.064 50 L CA 0.254 55.119 54.840 0.043 0.000 0.821 50 L CB 0.032 42.127 42.059 0.059 0.000 1.027 50 L HN 0.196 nan 8.230 nan 0.000 0.476 51 L N -1.536 119.715 121.223 0.048 0.000 2.416 51 L HA 0.107 4.447 4.340 -0.000 0.000 0.216 51 L C -0.108 176.769 176.870 0.011 0.000 1.098 51 L CA 0.076 54.924 54.840 0.013 0.000 0.840 51 L CB 0.133 42.251 42.059 0.098 0.000 0.981 51 L HN 0.260 nan 8.230 nan 0.000 0.462 52 D N 1.516 121.947 120.400 0.051 0.000 4.288 52 D HA -0.123 4.517 4.640 -0.000 0.000 0.248 52 D C -0.873 175.487 176.300 0.101 0.000 1.054 52 D CA 0.556 54.590 54.000 0.056 0.000 1.179 52 D CB -0.647 40.172 40.800 0.031 0.000 0.859 52 D HN 0.336 nan 8.370 nan 0.000 0.402 53 I N -1.820 118.808 120.570 0.096 0.000 3.004 53 I HA 0.503 4.673 4.170 -0.000 0.000 0.305 53 I C 0.280 176.432 176.117 0.058 0.000 1.312 53 I CA -1.054 60.307 61.300 0.101 0.000 0.992 53 I CB 1.869 39.953 38.000 0.141 0.000 1.282 53 I HN -0.008 nan 8.210 nan 0.000 0.449 54 S N 2.023 117.746 115.700 0.038 0.000 2.608 54 S HA 0.509 4.979 4.470 -0.000 0.000 0.261 54 S C -0.339 174.260 174.600 -0.001 0.000 1.314 54 S CA -0.425 57.782 58.200 0.012 0.000 0.992 54 S CB 1.098 64.296 63.200 -0.002 0.000 0.935 54 S HN 0.550 nan 8.310 nan 0.000 0.564 55 L N 2.347 123.561 121.223 -0.014 0.000 2.488 55 L HA 0.335 4.675 4.340 -0.000 0.000 0.250 55 L C -0.045 176.797 176.870 -0.046 0.000 1.280 55 L CA 0.044 54.869 54.840 -0.026 0.000 0.929 55 L CB 0.166 42.216 42.059 -0.016 0.000 1.200 55 L HN 0.656 nan 8.230 nan 0.000 0.495 68 M N 2.265 121.735 119.600 -0.217 0.000 2.393 68 M HA 0.857 5.337 4.480 -0.000 0.000 0.299 68 M C -1.593 174.665 176.300 -0.070 0.000 1.103 68 M CA -0.270 54.921 55.300 -0.181 0.000 0.910 68 M CB 2.478 34.926 32.600 -0.254 0.000 1.659 68 M HN 0.458 nan 8.290 nan 0.000 0.445 69 A N 2.742 125.555 122.820 -0.011 0.000 2.389 69 A HA 1.068 5.388 4.320 -0.000 0.000 0.293 69 A C -0.447 177.132 177.584 -0.007 0.000 1.186 69 A CA -0.255 51.780 52.037 -0.003 0.000 0.828 69 A CB 1.754 20.771 19.000 0.029 0.000 1.369 69 A HN 1.112 nan 8.150 nan 0.000 0.446 70 G N -0.751 108.040 108.800 -0.015 0.000 2.633 70 G HA2 0.576 4.536 3.960 -0.000 0.000 0.299 70 G HA3 0.576 4.536 3.960 -0.000 0.000 0.299 70 G C -0.887 174.022 174.900 0.014 0.000 1.501 70 G CA -0.005 45.082 45.100 -0.022 0.000 0.887 70 G HN 1.552 nan 8.290 nan 0.000 0.561 71 I N -0.013 120.547 120.570 -0.016 0.000 2.676 71 I HA 0.858 5.028 4.170 -0.000 0.000 0.309 71 I C -2.349 173.848 176.117 0.134 0.000 0.990 71 I CA -2.832 58.416 61.300 -0.088 0.000 1.168 71 I CB 2.470 40.298 38.000 -0.287 0.000 1.343 71 I HN 0.271 nan 8.210 nan 0.000 0.482 72 P HA 0.056 nan 4.420 nan 0.000 0.279 72 P C -0.478 176.825 177.300 0.005 0.000 1.252 72 P CA -0.027 63.005 63.100 -0.113 0.000 0.811 72 P CB 0.721 32.382 31.700 -0.065 0.000 1.035 73 Y N 1.940 122.125 120.300 -0.191 0.000 2.395 73 Y HA -0.178 4.372 4.550 -0.000 0.000 0.293 73 Y C 2.408 178.352 175.900 0.073 0.000 1.123 73 Y CA 1.678 59.776 58.100 -0.003 0.000 1.227 73 Y CB -0.951 37.429 38.460 -0.133 0.000 1.012 73 Y HN 0.463 nan 8.280 nan 0.000 0.552 74 H N -0.375 118.503 119.070 -0.320 0.000 2.518 74 H HA 0.177 4.733 4.556 -0.000 0.000 0.289 74 H C 0.327 175.512 175.328 -0.239 0.000 1.051 74 H CA 1.123 56.972 56.048 -0.331 0.000 1.280 74 H CB -0.387 29.270 29.762 -0.175 0.000 1.380 74 H HN 0.321 nan 8.280 nan 0.000 0.566 75 A N 1.053 123.606 122.820 -0.444 0.000 3.176 75 A HA 0.487 4.807 4.320 -0.000 0.000 0.265 75 A C 1.190 178.724 177.584 -0.084 0.000 0.936 75 A CA -0.217 51.606 52.037 -0.356 0.000 1.033 75 A CB 0.007 18.744 19.000 -0.438 0.000 1.158 75 A HN 0.137 nan 8.150 nan 0.000 0.485 76 V N -0.071 119.811 119.914 -0.053 0.000 2.379 76 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 76 V C 2.430 178.581 176.094 0.094 0.000 1.044 76 V CA 1.981 64.336 62.300 0.091 0.000 1.036 76 V CB -0.350 31.541 31.823 0.113 0.000 0.664 76 V HN 0.605 nan 8.190 nan 0.000 0.453 77 E N 0.605 120.811 120.200 0.011 0.000 2.077 77 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 77 E C 2.082 178.707 176.600 0.041 0.000 0.989 77 E CA 1.476 57.878 56.400 0.003 0.000 0.800 77 E CB -0.642 29.036 29.700 -0.035 0.000 0.746 77 E HN 0.624 nan 8.360 nan 0.000 0.452 78 N N 0.428 119.173 118.700 0.074 0.000 2.043 78 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 78 N C 1.712 177.302 175.510 0.134 0.000 1.037 78 N CA 1.501 54.609 53.050 0.097 0.000 0.851 78 N CB -0.476 38.093 38.487 0.137 0.000 1.027 78 N HN 0.248 nan 8.380 nan 0.000 0.422 79 Y N -0.075 120.249 120.300 0.040 0.000 2.457 79 Y HA 0.132 4.682 4.550 -0.000 0.000 0.292 79 Y C 2.155 178.119 175.900 0.108 0.000 1.125 79 Y CA 0.083 58.245 58.100 0.103 0.000 1.254 79 Y CB 0.155 38.718 38.460 0.172 0.000 1.012 79 Y HN 0.080 nan 8.280 nan 0.000 0.555 80 L N -0.949 120.385 121.223 0.186 0.000 2.109 80 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 80 L C 2.588 179.455 176.870 -0.005 0.000 1.086 80 L CA 0.974 55.826 54.840 0.019 0.000 0.760 80 L CB -0.478 41.542 42.059 -0.064 0.000 0.910 80 L HN 0.234 nan 8.230 nan 0.000 0.437 81 A N -0.281 122.542 122.820 0.005 0.000 1.968 81 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 81 A C 2.231 179.803 177.584 -0.019 0.000 1.169 81 A CA 1.436 53.463 52.037 -0.016 0.000 0.638 81 A CB -0.190 18.799 19.000 -0.019 0.000 0.812 81 A HN 0.220 nan 8.150 nan 0.000 0.446 82 K N -0.412 119.976 120.400 -0.021 0.000 2.116 82 K HA 0.167 4.487 4.320 -0.000 0.000 0.203 82 K C 1.749 178.345 176.600 -0.006 0.000 1.052 82 K CA 0.690 56.956 56.287 -0.036 0.000 0.952 82 K CB -0.228 32.214 32.500 -0.096 0.000 0.729 82 K HN 0.462 nan 8.250 nan 0.000 0.446 83 L N -0.135 121.102 121.223 0.023 0.000 2.056 83 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 83 L C 2.132 179.005 176.870 0.005 0.000 1.078 83 L CA 0.861 55.721 54.840 0.035 0.000 0.749 83 L CB -0.395 41.697 42.059 0.056 0.000 0.901 83 L HN -0.004 nan 8.230 nan 0.000 0.433 84 V N 0.047 119.952 119.914 -0.015 0.000 2.427 84 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 84 V C 2.216 178.302 176.094 -0.013 0.000 1.051 84 V CA 1.728 64.014 62.300 -0.023 0.000 1.048 84 V CB -0.570 31.231 31.823 -0.037 0.000 0.666 84 V HN 0.519 nan 8.190 nan 0.000 0.456 85 N N -0.277 118.416 118.700 -0.012 0.000 2.457 85 N HA -0.104 4.636 4.740 -0.000 0.000 0.180 85 N C 1.541 177.048 175.510 -0.005 0.000 1.050 85 N CA 0.660 53.703 53.050 -0.011 0.000 0.906 85 N CB 0.148 38.626 38.487 -0.016 0.000 0.968 85 N HN 0.553 nan 8.380 nan 0.000 0.445 86 Q N -0.601 119.200 119.800 0.001 0.000 2.247 86 Q HA 0.209 4.549 4.340 -0.000 0.000 0.205 86 Q C 0.289 176.297 176.000 0.013 0.000 0.896 86 Q CA 0.003 55.811 55.803 0.008 0.000 0.950 86 Q CB 0.451 29.197 28.738 0.014 0.000 1.054 86 Q HN 0.339 nan 8.270 nan 0.000 0.482 87 G N 0.930 109.735 108.800 0.009 0.000 2.212 87 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.255 87 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.255 87 G C -0.553 174.359 174.900 0.019 0.000 1.062 87 G CA -0.231 44.876 45.100 0.012 0.000 0.815 87 G HN 0.216 nan 8.290 nan 0.000 0.497 88 E N 0.321 120.530 120.200 0.015 0.000 2.210 88 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 88 E C -0.092 176.504 176.600 -0.007 0.000 0.883 88 E CA -0.511 55.900 56.400 0.018 0.000 0.761 88 E CB 1.805 31.524 29.700 0.031 0.000 1.156 88 E HN 0.222 nan 8.360 nan 0.000 0.412 89 S N 1.014 116.710 115.700 -0.006 0.000 2.584 89 S HA 0.435 4.905 4.470 -0.000 0.000 0.273 89 S C 0.257 174.805 174.600 -0.088 0.000 1.311 89 S CA -0.694 57.480 58.200 -0.043 0.000 1.034 89 S CB 1.135 64.322 63.200 -0.021 0.000 0.939 89 S HN 0.252 nan 8.310 nan 0.000 0.513 90 V N 0.913 120.722 119.914 -0.175 0.000 2.864 90 V HA 0.853 4.973 4.120 -0.000 0.000 0.314 90 V C -0.161 175.767 176.094 -0.277 0.000 1.073 90 V CA -0.923 61.201 62.300 -0.293 0.000 0.956 90 V CB 1.810 33.279 31.823 -0.590 0.000 1.023 90 V HN 1.002 nan 8.190 nan 0.000 0.435 91 A N 4.051 126.730 122.820 -0.235 0.000 2.343 91 A HA 0.829 5.149 4.320 -0.000 0.000 0.308 91 A C -0.953 176.579 177.584 -0.086 0.000 1.092 91 A CA -0.505 51.427 52.037 -0.175 0.000 0.751 91 A CB 0.802 19.698 19.000 -0.173 0.000 1.203 91 A HN 0.566 nan 8.150 nan 0.000 0.452 92 I N 1.333 121.851 120.570 -0.087 0.000 2.396 92 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 92 I C 0.133 176.328 176.117 0.131 0.000 0.999 92 I CA -0.547 60.757 61.300 0.006 0.000 1.310 92 I CB 0.889 38.840 38.000 -0.081 0.000 1.404 92 I HN 0.683 nan 8.210 nan 0.000 0.496 93 C N 6.568 126.016 119.300 0.247 0.000 2.498 93 C HA 0.749 5.209 4.460 -0.000 0.000 0.316 93 C C -0.185 174.861 174.990 0.094 0.000 1.209 93 C CA -0.034 59.113 59.018 0.215 0.000 1.518 93 C CB 1.140 29.107 27.740 0.378 0.000 2.147 93 C HN 0.980 nan 8.230 nan 0.000 0.483 109 K N -0.556 119.895 120.400 0.085 0.000 2.507 109 K HA 0.446 4.766 4.320 -0.000 0.000 0.284 109 K C -1.156 175.512 176.600 0.113 0.000 1.038 109 K CA -0.871 55.474 56.287 0.097 0.000 0.903 109 K CB 1.678 34.217 32.500 0.064 0.000 1.531 109 K HN 0.187 nan 8.250 nan 0.000 0.430 110 V N 2.475 122.467 119.914 0.129 0.000 2.397 110 V HA 0.026 4.146 4.120 -0.000 0.000 0.262 110 V C 0.919 177.059 176.094 0.077 0.000 1.047 110 V CA -0.248 62.128 62.300 0.128 0.000 1.003 110 V CB 0.850 32.791 31.823 0.198 0.000 1.037 110 V HN 0.655 nan 8.190 nan 0.000 0.480 111 V N 5.219 125.167 119.914 0.056 0.000 2.992 111 V HA 0.195 4.315 4.120 -0.000 0.000 0.250 111 V C 0.993 177.092 176.094 0.008 0.000 1.090 111 V CA 1.074 63.395 62.300 0.034 0.000 1.101 111 V CB 0.085 31.933 31.823 0.041 0.000 0.743 111 V HN 0.828 nan 8.190 nan 0.000 0.468 112 R N -0.459 120.033 120.500 -0.012 0.000 2.707 112 R HA 0.640 4.980 4.340 -0.000 0.000 0.272 112 R C -1.918 174.323 176.300 -0.100 0.000 1.011 112 R CA -0.569 55.501 56.100 -0.051 0.000 0.893 112 R CB 2.142 32.413 30.300 -0.050 0.000 1.233 112 R HN 0.158 nan 8.270 nan 0.000 0.464 113 I N 4.172 124.670 120.570 -0.120 0.000 2.610 113 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 113 I C -0.524 175.507 176.117 -0.143 0.000 1.163 113 I CA -1.093 60.111 61.300 -0.161 0.000 1.044 113 I CB 2.150 40.038 38.000 -0.186 0.000 1.251 113 I HN 0.392 nan 8.210 nan 0.000 0.424 114 V N 2.352 122.173 119.914 -0.154 0.000 2.667 114 V HA 0.929 5.049 4.120 -0.000 0.000 0.308 114 V C -0.084 175.951 176.094 -0.099 0.000 1.048 114 V CA -0.226 62.001 62.300 -0.122 0.000 0.928 114 V CB 1.642 33.390 31.823 -0.126 0.000 1.004 114 V HN 0.864 nan 8.190 nan 0.000 0.444 115 T N 0.817 115.334 114.554 -0.060 0.000 2.906 115 T HA 0.654 5.004 4.350 -0.000 0.000 0.295 115 T C -2.276 172.423 174.700 -0.003 0.000 1.061 115 T CA -1.853 60.240 62.100 -0.012 0.000 1.000 115 T CB 2.073 70.974 68.868 0.054 0.000 1.103 115 T HN 0.418 nan 8.240 nan 0.000 0.486 116 P HA 0.025 nan 4.420 nan 0.000 0.215 116 P C 1.734 179.036 177.300 0.002 0.000 1.153 116 P CA 1.443 64.543 63.100 -0.001 0.000 0.853 116 P CB -0.316 31.385 31.700 0.003 0.000 0.788 117 G N -1.355 107.459 108.800 0.023 0.000 2.484 117 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 117 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 117 G C 1.171 176.075 174.900 0.007 0.000 1.130 117 G CA 1.415 46.525 45.100 0.017 0.000 0.784 117 G HN 0.427 nan 8.290 nan 0.000 0.543 118 T N -1.441 113.117 114.554 0.006 0.000 3.043 118 T HA 0.378 4.728 4.350 -0.000 0.000 0.272 118 T C 0.879 175.558 174.700 -0.035 0.000 0.990 118 T CA -0.494 61.593 62.100 -0.021 0.000 0.897 118 T CB -0.311 68.534 68.868 -0.039 0.000 1.111 118 T HN 0.284 nan 8.240 nan 0.000 0.529 119 I N 1.016 121.566 120.570 -0.032 0.000 2.696 119 I HA 0.598 4.768 4.170 -0.000 0.000 0.284 119 I C 1.036 177.134 176.117 -0.031 0.000 1.129 119 I CA -0.292 60.985 61.300 -0.038 0.000 1.410 119 I CB 1.044 39.021 38.000 -0.039 0.000 1.399 119 I HN 0.155 nan 8.210 nan 0.000 0.579 120 S N 0.601 116.281 115.700 -0.033 0.000 2.744 120 S HA 0.216 4.686 4.470 -0.000 0.000 0.265 120 S C 0.048 174.629 174.600 -0.031 0.000 1.065 120 S CA -0.589 57.594 58.200 -0.028 0.000 1.191 120 S CB -0.194 62.989 63.200 -0.028 0.000 1.150 120 S HN 0.717 nan 8.310 nan 0.000 0.646 121 D N 3.157 123.537 120.400 -0.033 0.000 2.372 121 D HA 0.157 4.797 4.640 -0.000 0.000 0.243 121 D C 1.207 177.491 176.300 -0.027 0.000 1.121 121 D CA 0.146 54.129 54.000 -0.028 0.000 0.898 121 D CB 1.092 41.875 40.800 -0.028 0.000 1.202 121 D HN 0.685 nan 8.370 nan 0.000 0.428 122 E N 0.583 120.768 120.200 -0.025 0.000 2.418 122 E HA -0.043 4.307 4.350 -0.000 0.000 0.197 122 E C 1.346 177.930 176.600 -0.026 0.000 1.026 122 E CA 0.650 57.035 56.400 -0.025 0.000 0.862 122 E CB 0.035 29.721 29.700 -0.025 0.000 0.799 122 E HN 0.361 nan 8.360 nan 0.000 0.518 123 A N 1.308 124.112 122.820 -0.027 0.000 2.016 123 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 123 A C 1.982 179.550 177.584 -0.027 0.000 1.162 123 A CA 0.545 52.565 52.037 -0.028 0.000 0.662 123 A CB -0.263 18.718 19.000 -0.030 0.000 0.812 123 A HN 0.296 nan 8.150 nan 0.000 0.450 124 L N -0.654 120.552 121.223 -0.028 0.000 2.628 124 L HA 0.348 4.688 4.340 -0.000 0.000 0.229 124 L C -0.324 176.530 176.870 -0.026 0.000 1.137 124 L CA -0.036 54.787 54.840 -0.029 0.000 0.909 124 L CB -0.058 41.980 42.059 -0.034 0.000 1.137 124 L HN 0.181 nan 8.230 nan 0.000 0.470 125 L N 0.326 121.534 121.223 -0.025 0.000 2.362 125 L HA 0.389 4.729 4.340 -0.000 0.000 0.275 125 L C -0.336 176.521 176.870 -0.021 0.000 0.998 125 L CA -0.683 54.143 54.840 -0.023 0.000 0.820 125 L CB 2.261 44.307 42.059 -0.023 0.000 1.270 125 L HN -0.016 nan 8.230 nan 0.000 0.415 126 Q N 1.611 121.400 119.800 -0.019 0.000 2.289 126 Q HA -0.012 4.328 4.340 -0.000 0.000 0.273 126 Q C 0.924 176.913 176.000 -0.018 0.000 1.029 126 Q CA 0.475 56.267 55.803 -0.017 0.000 0.896 126 Q CB 1.045 29.775 28.738 -0.014 0.000 1.182 126 Q HN 0.460 nan 8.270 nan 0.000 0.385 127 E N 2.840 123.029 120.200 -0.018 0.000 2.085 127 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 127 E C 0.143 176.731 176.600 -0.020 0.000 0.994 127 E CA 1.034 57.422 56.400 -0.020 0.000 0.801 127 E CB 0.331 30.019 29.700 -0.020 0.000 0.743 127 E HN 0.425 nan 8.360 nan 0.000 0.453 128 R N 0.088 120.578 120.500 -0.017 0.000 2.694 128 R HA 0.239 4.579 4.340 -0.000 0.000 0.334 128 R C -0.268 176.025 176.300 -0.011 0.000 1.143 128 R CA -0.018 56.072 56.100 -0.016 0.000 1.073 128 R CB 0.789 31.080 30.300 -0.014 0.000 1.366 128 R HN 0.072 nan 8.270 nan 0.000 0.577 129 Q N 0.767 120.560 119.800 -0.011 0.000 2.271 129 Q HA 0.163 4.503 4.340 -0.000 0.000 0.268 129 Q C -1.402 174.592 176.000 -0.010 0.000 1.021 129 Q CA -0.706 55.093 55.803 -0.006 0.000 0.802 129 Q CB 2.568 31.303 28.738 -0.005 0.000 1.282 129 Q HN 0.088 nan 8.270 nan 0.000 0.431 130 D N 1.744 122.139 120.400 -0.008 0.000 2.449 130 D HA -0.006 4.634 4.640 -0.000 0.000 0.236 130 D C -0.181 176.111 176.300 -0.013 0.000 1.149 130 D CA 0.699 54.693 54.000 -0.010 0.000 0.878 130 D CB 0.619 41.416 40.800 -0.005 0.000 1.198 130 D HN 0.354 nan 8.370 nan 0.000 0.446 131 N N 2.359 121.050 118.700 -0.016 0.000 2.746 131 N HA 0.205 4.945 4.740 -0.000 0.000 0.250 131 N C -1.339 174.158 175.510 -0.022 0.000 1.146 131 N CA -0.411 52.629 53.050 -0.018 0.000 0.828 131 N CB 0.122 38.598 38.487 -0.019 0.000 1.158 131 N HN 0.208 nan 8.380 nan 0.000 0.519 132 L N 1.745 122.956 121.223 -0.020 0.000 2.334 132 L HA 0.503 4.843 4.340 -0.000 0.000 0.277 132 L C 0.122 176.972 176.870 -0.032 0.000 1.075 132 L CA -1.208 53.615 54.840 -0.028 0.000 0.804 132 L CB 1.041 43.091 42.059 -0.015 0.000 1.174 132 L HN 0.331 nan 8.230 nan 0.000 0.438 133 L N 2.779 123.971 121.223 -0.051 0.000 2.379 133 L HA 0.808 5.148 4.340 -0.000 0.000 0.269 133 L C -0.203 176.614 176.870 -0.088 0.000 1.084 133 L CA 0.204 55.009 54.840 -0.058 0.000 0.802 133 L CB 1.410 43.438 42.059 -0.051 0.000 1.175 133 L HN 0.755 nan 8.230 nan 0.000 0.448 134 A N 3.074 125.832 122.820 -0.103 0.000 2.572 134 A HA 0.949 5.269 4.320 -0.000 0.000 0.295 134 A C -1.475 176.026 177.584 -0.140 0.000 1.072 134 A CA -0.151 51.785 52.037 -0.169 0.000 0.691 134 A CB 1.409 20.323 19.000 -0.143 0.000 1.291 134 A HN 1.210 nan 8.150 nan 0.000 0.404 135 A N 0.766 123.487 122.820 -0.165 0.000 2.401 135 A HA 0.860 5.180 4.320 -0.000 0.000 0.310 135 A C -0.861 176.776 177.584 0.088 0.000 1.075 135 A CA -0.458 51.574 52.037 -0.008 0.000 0.746 135 A CB 1.019 20.026 19.000 0.011 0.000 1.277 135 A HN 1.697 nan 8.150 nan 0.000 0.425 136 I N 2.082 122.784 120.570 0.220 0.000 2.769 136 I HA 0.792 4.962 4.170 -0.000 0.000 0.298 136 I C -1.568 174.662 176.117 0.189 0.000 1.128 136 I CA -0.564 60.902 61.300 0.277 0.000 1.031 136 I CB 1.831 39.908 38.000 0.129 0.000 1.235 136 I HN 0.987 nan 8.210 nan 0.000 0.423 137 W N 5.793 127.086 121.300 -0.013 0.000 2.803 137 W HA 0.504 5.164 4.660 -0.000 0.000 0.424 137 W C -2.561 174.099 176.519 0.234 0.000 1.092 137 W CA -0.831 56.448 57.345 -0.109 0.000 1.184 137 W CB 1.281 30.388 29.460 -0.589 0.000 1.470 137 W HN 0.623 nan 8.180 nan 0.000 0.598 138 Q N 1.995 121.536 119.800 -0.431 0.000 2.269 138 Q HA 0.232 4.572 4.340 -0.000 0.000 0.263 138 Q C -1.107 174.311 176.000 -0.969 0.000 0.983 138 Q CA -0.471 54.938 55.803 -0.657 0.000 0.777 138 Q CB 2.089 30.638 28.738 -0.314 0.000 1.273 138 Q HN 0.285 nan 8.270 nan 0.000 0.440 139 D N 0.274 120.069 120.400 -1.009 0.000 2.398 139 D HA 0.040 4.680 4.640 -0.000 0.000 0.247 139 D C 0.790 176.829 176.300 -0.435 0.000 1.227 139 D CA 0.241 53.839 54.000 -0.669 0.000 0.980 139 D CB 1.028 41.548 40.800 -0.465 0.000 1.106 139 D HN 0.564 nan 8.370 nan 0.000 0.493 140 S N -0.575 114.955 115.700 -0.282 0.000 2.754 140 S HA 0.065 4.535 4.470 -0.000 0.000 0.223 140 S C 0.692 175.182 174.600 -0.184 0.000 0.951 140 S CA 0.378 58.454 58.200 -0.207 0.000 0.954 140 S CB 0.021 63.141 63.200 -0.132 0.000 0.780 140 S HN 0.314 nan 8.310 nan 0.000 0.509 141 K N -0.281 119.989 120.400 -0.217 0.000 2.556 141 K HA 0.492 4.812 4.320 -0.000 0.000 0.201 141 K C 1.004 177.489 176.600 -0.191 0.000 1.423 141 K CA 0.445 56.636 56.287 -0.160 0.000 1.010 141 K CB 0.955 33.392 32.500 -0.105 0.000 1.409 141 K HN 0.343 nan 8.250 nan 0.000 0.538 142 G N -0.206 108.419 108.800 -0.292 0.000 2.474 142 G HA2 0.406 4.366 3.960 -0.000 0.000 0.234 142 G HA3 0.406 4.366 3.960 -0.000 0.000 0.234 142 G C -1.715 172.867 174.900 -0.531 0.000 1.204 142 G CA -0.812 44.090 45.100 -0.329 0.000 0.939 142 G HN -0.050 nan 8.290 nan 0.000 0.491 143 F N 0.415 120.315 119.950 -0.084 0.000 2.538 143 F HA 0.729 5.256 4.527 -0.000 0.000 0.325 143 F C 0.806 176.638 175.800 0.052 0.000 1.066 143 F CA -0.122 57.849 58.000 -0.047 0.000 0.946 143 F CB 2.509 41.532 39.000 0.038 0.000 1.199 143 F HN 0.659 nan 8.300 nan 0.000 0.473 144 G N 0.478 109.518 108.800 0.401 0.000 2.432 144 G HA2 0.564 4.523 3.960 -0.000 0.000 0.331 144 G HA3 0.564 4.523 3.960 -0.000 0.000 0.331 144 G C -2.534 172.712 174.900 0.577 0.000 1.170 144 G CA -0.561 44.874 45.100 0.558 0.000 0.943 144 G HN 0.522 nan 8.290 nan 0.000 0.483 145 Y N 0.013 120.466 120.300 0.255 0.000 2.480 145 Y HA 0.598 5.148 4.550 -0.000 0.000 0.329 145 Y C -0.776 175.199 175.900 0.124 0.000 1.127 145 Y CA -0.794 57.407 58.100 0.167 0.000 1.037 145 Y CB 2.090 40.612 38.460 0.103 0.000 1.320 145 Y HN 0.979 nan 8.280 nan 0.000 0.446 146 A N 3.008 125.531 122.820 -0.496 0.000 2.459 146 A HA 0.702 5.022 4.320 -0.000 0.000 0.296 146 A C -0.996 176.345 177.584 -0.405 0.000 1.039 146 A CA -0.246 51.625 52.037 -0.277 0.000 0.698 146 A CB 1.067 20.049 19.000 -0.032 0.000 1.261 146 A HN 0.880 nan 8.150 nan 0.000 0.405 147 T N -0.027 114.423 114.554 -0.173 0.000 2.855 147 T HA 0.689 5.039 4.350 -0.000 0.000 0.281 147 T C -0.715 174.013 174.700 0.047 0.000 1.007 147 T CA -0.621 61.419 62.100 -0.100 0.000 1.009 147 T CB 1.255 70.093 68.868 -0.049 0.000 0.983 147 T HN 1.180 nan 8.240 nan 0.000 0.455 148 L N 2.026 123.205 121.223 -0.074 0.000 2.346 148 L HA 0.655 4.995 4.340 -0.000 0.000 0.274 148 L C -1.010 175.781 176.870 -0.131 0.000 1.007 148 L CA -0.428 54.298 54.840 -0.190 0.000 0.818 148 L CB 1.896 43.701 42.059 -0.424 0.000 1.284 148 L HN 0.842 nan 8.230 nan 0.000 0.424 149 D N 4.608 124.932 120.400 -0.127 0.000 2.454 149 D HA 0.136 4.776 4.640 -0.000 0.000 0.225 149 D C 0.840 177.059 176.300 -0.136 0.000 1.081 149 D CA -0.060 53.883 54.000 -0.096 0.000 0.864 149 D CB 0.908 41.672 40.800 -0.060 0.000 1.040 149 D HN 0.730 nan 8.370 nan 0.000 0.517 150 I N 2.590 123.096 120.570 -0.106 0.000 3.334 150 I HA -0.137 4.033 4.170 -0.000 0.000 0.282 150 I C 1.121 177.260 176.117 0.037 0.000 1.313 150 I CA 0.394 61.644 61.300 -0.083 0.000 1.396 150 I CB 0.315 38.288 38.000 -0.045 0.000 1.054 150 I HN 0.193 nan 8.210 nan 0.000 0.495 151 S N -0.587 115.115 115.700 0.004 0.000 2.517 151 S HA -0.060 4.410 4.470 -0.000 0.000 0.228 151 S C 1.975 176.603 174.600 0.046 0.000 1.060 151 S CA 0.940 59.181 58.200 0.069 0.000 0.937 151 S CB 0.191 63.405 63.200 0.023 0.000 0.840 151 S HN 0.616 nan 8.310 nan 0.000 0.546 152 S N 0.856 116.537 115.700 -0.032 0.000 2.406 152 S HA 0.204 4.674 4.470 -0.000 0.000 0.228 152 S C 1.696 176.223 174.600 -0.122 0.000 1.020 152 S CA 1.230 59.406 58.200 -0.040 0.000 0.965 152 S CB -0.518 62.665 63.200 -0.028 0.000 0.798 152 S HN 0.933 nan 8.310 nan 0.000 0.488 153 G N 1.238 109.890 108.800 -0.247 0.000 2.157 153 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.239 153 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.239 153 G C 0.115 174.915 174.900 -0.166 0.000 0.982 153 G CA 0.050 44.932 45.100 -0.363 0.000 0.650 153 G HN 0.743 nan 8.290 nan 0.000 0.527 154 R N 0.120 120.566 120.500 -0.089 0.000 2.399 154 R HA 0.420 4.760 4.340 -0.000 0.000 0.324 154 R C -0.876 175.458 176.300 0.057 0.000 1.030 154 R CA -0.273 55.824 56.100 -0.005 0.000 0.984 154 R CB -0.186 30.118 30.300 0.007 0.000 0.961 154 R HN 0.037 nan 8.270 nan 0.000 0.433 155 F N 5.601 125.490 119.950 -0.101 0.000 2.460 155 F HA 0.484 5.011 4.527 -0.000 0.000 0.341 155 F C -0.734 175.016 175.800 -0.083 0.000 1.130 155 F CA -1.197 56.745 58.000 -0.096 0.000 0.962 155 F CB 1.030 39.966 39.000 -0.106 0.000 1.171 155 F HN 0.471 nan 8.300 nan 0.000 0.436 156 R N 6.768 127.385 120.500 0.195 0.000 2.686 156 R HA 0.654 4.994 4.340 -0.000 0.000 0.286 156 R C -1.120 175.161 176.300 -0.032 0.000 0.969 156 R CA -0.933 55.181 56.100 0.024 0.000 0.898 156 R CB 2.687 33.024 30.300 0.062 0.000 1.183 156 R HN 0.756 nan 8.270 nan 0.000 0.456 157 L N -1.187 119.997 121.223 -0.065 0.000 2.370 157 L HA 0.765 5.105 4.340 -0.000 0.000 0.266 157 L C -0.533 176.377 176.870 0.067 0.000 1.002 157 L CA -0.543 54.287 54.840 -0.016 0.000 0.818 157 L CB 2.432 44.442 42.059 -0.081 0.000 1.325 157 L HN 0.769 nan 8.230 nan 0.000 0.418 158 S N 1.296 117.090 115.700 0.157 0.000 2.704 158 S HA 0.628 5.098 4.470 -0.000 0.000 0.296 158 S C -0.659 174.053 174.600 0.186 0.000 1.138 158 S CA -0.796 57.499 58.200 0.159 0.000 0.875 158 S CB 2.278 65.583 63.200 0.174 0.000 1.151 158 S HN 0.791 nan 8.310 nan 0.000 0.500 159 E N 1.034 121.321 120.200 0.145 0.000 3.626 159 E HA 0.293 4.643 4.350 -0.000 0.000 0.245 159 E C -2.841 173.839 176.600 0.134 0.000 1.236 159 E CA -1.500 54.996 56.400 0.159 0.000 1.072 159 E CB 1.019 30.796 29.700 0.128 0.000 1.309 159 E HN 0.393 nan 8.360 nan 0.000 0.400 160 P HA -0.046 nan 4.420 nan 0.000 0.264 160 P C 0.175 177.597 177.300 0.202 0.000 1.193 160 P CA 0.283 63.443 63.100 0.099 0.000 0.763 160 P CB 1.174 32.864 31.700 -0.017 0.000 0.810 161 A N 3.565 126.467 122.820 0.138 0.000 1.862 161 A HA 0.045 4.365 4.320 -0.000 0.000 0.211 161 A C 0.644 178.327 177.584 0.165 0.000 1.220 161 A CA 1.023 53.133 52.037 0.122 0.000 0.616 161 A CB -0.821 18.215 19.000 0.059 0.000 0.878 161 A HN 0.640 nan 8.150 nan 0.000 0.453 162 D N -1.388 119.092 120.400 0.134 0.000 2.466 162 D HA 0.348 4.988 4.640 -0.000 0.000 0.262 162 D C 0.899 177.312 176.300 0.189 0.000 1.177 162 D CA -0.295 53.790 54.000 0.141 0.000 1.035 162 D CB 0.367 41.201 40.800 0.056 0.000 1.105 162 D HN 0.363 nan 8.370 nan 0.000 0.551 163 R N -0.778 119.816 120.500 0.157 0.000 2.246 163 R HA 0.115 4.455 4.340 -0.000 0.000 0.199 163 R C 1.154 177.389 176.300 -0.108 0.000 0.984 163 R CA 0.522 56.632 56.100 0.016 0.000 1.015 163 R CB -0.238 30.120 30.300 0.096 0.000 0.930 163 R HN 0.374 nan 8.270 nan 0.000 0.475 164 E N 0.762 120.930 120.200 -0.054 0.000 2.076 164 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 164 E C 1.556 178.102 176.600 -0.090 0.000 0.979 164 E CA 1.695 58.058 56.400 -0.062 0.000 0.807 164 E CB 0.065 29.754 29.700 -0.019 0.000 0.761 164 E HN 0.245 nan 8.360 nan 0.000 0.454 165 T N 0.601 115.108 114.554 -0.079 0.000 2.720 165 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 165 T C 1.748 176.340 174.700 -0.180 0.000 1.037 165 T CA 1.508 63.550 62.100 -0.098 0.000 1.144 165 T CB -0.211 68.625 68.868 -0.052 0.000 0.864 165 T HN 0.092 nan 8.240 nan 0.000 0.444 166 M N 1.577 121.015 119.600 -0.270 0.000 2.080 166 M HA 0.010 4.490 4.480 -0.000 0.000 0.260 166 M C 2.317 178.395 176.300 -0.370 0.000 1.068 166 M CA 1.755 56.788 55.300 -0.444 0.000 1.109 166 M CB -0.756 31.353 32.600 -0.819 0.000 1.342 166 M HN 0.207 nan 8.290 nan 0.000 0.405 167 A N -0.428 122.231 122.820 -0.269 0.000 1.933 167 A HA 0.055 4.375 4.320 -0.000 0.000 0.218 167 A C 2.363 179.850 177.584 -0.161 0.000 1.175 167 A CA 1.943 53.865 52.037 -0.192 0.000 0.628 167 A CB -1.422 17.499 19.000 -0.132 0.000 0.814 167 A HN 0.650 nan 8.150 nan 0.000 0.444 168 A N -0.103 122.629 122.820 -0.148 0.000 1.908 168 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 168 A C 1.941 179.444 177.584 -0.136 0.000 1.181 168 A CA 1.735 53.701 52.037 -0.118 0.000 0.627 168 A CB -0.446 18.491 19.000 -0.105 0.000 0.818 168 A HN 0.529 nan 8.150 nan 0.000 0.445 169 E N -0.194 119.886 120.200 -0.200 0.000 2.152 169 E HA -0.085 4.265 4.350 -0.000 0.000 0.192 169 E C 2.072 178.536 176.600 -0.226 0.000 0.983 169 E CA 0.714 56.978 56.400 -0.227 0.000 0.818 169 E CB -0.311 29.160 29.700 -0.381 0.000 0.758 169 E HN 0.675 nan 8.360 nan 0.000 0.467 170 L N 0.553 121.622 121.223 -0.258 0.000 2.027 170 L HA -0.210 4.130 4.340 -0.000 0.000 0.206 170 L C 2.781 179.598 176.870 -0.088 0.000 1.074 170 L CA 1.123 55.869 54.840 -0.157 0.000 0.745 170 L CB -0.327 41.639 42.059 -0.155 0.000 0.898 170 L HN 0.118 nan 8.230 nan 0.000 0.433 171 Q N 0.308 120.050 119.800 -0.096 0.000 2.096 171 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 171 Q C 2.271 178.207 176.000 -0.108 0.000 0.982 171 Q CA 1.867 57.623 55.803 -0.078 0.000 0.850 171 Q CB -0.090 28.611 28.738 -0.062 0.000 0.901 171 Q HN 0.240 nan 8.270 nan 0.000 0.422 172 R N -0.874 119.553 120.500 -0.123 0.000 2.062 172 R HA -0.104 4.236 4.340 -0.000 0.000 0.231 172 R C 2.191 178.382 176.300 -0.182 0.000 1.136 172 R CA 1.975 57.956 56.100 -0.198 0.000 0.948 172 R CB -0.411 29.823 30.300 -0.110 0.000 0.845 172 R HN 0.514 nan 8.270 nan 0.000 0.430 173 T N -1.585 112.931 114.554 -0.063 0.000 2.896 173 T HA -0.090 4.260 4.350 -0.000 0.000 0.263 173 T C 0.781 175.477 174.700 -0.007 0.000 1.050 173 T CA 0.685 62.788 62.100 0.006 0.000 1.140 173 T CB -0.462 68.491 68.868 0.142 0.000 0.877 173 T HN 0.473 nan 8.240 nan 0.000 0.457 174 N N 2.292 120.985 118.700 -0.012 0.000 2.667 174 N HA -0.096 4.644 4.740 -0.000 0.000 0.263 174 N C -2.759 172.752 175.510 0.002 0.000 1.038 174 N CA 0.367 53.406 53.050 -0.018 0.000 0.749 174 N CB -0.805 37.652 38.487 -0.050 0.000 0.892 174 N HN 0.394 nan 8.380 nan 0.000 0.546 175 P HA 0.195 nan 4.420 nan 0.000 0.276 175 P C 0.578 177.880 177.300 0.003 0.000 1.230 175 P CA 0.088 63.197 63.100 0.016 0.000 0.776 175 P CB 1.122 32.841 31.700 0.033 0.000 0.888 176 A N 3.219 126.036 122.820 -0.004 0.000 1.978 176 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 176 A C 0.980 178.562 177.584 -0.004 0.000 1.170 176 A CA 1.425 53.459 52.037 -0.005 0.000 0.636 176 A CB -0.551 18.445 19.000 -0.007 0.000 0.810 176 A HN 0.699 nan 8.150 nan 0.000 0.448 177 E N -0.731 119.462 120.200 -0.010 0.000 2.274 177 E HA 0.523 4.873 4.350 -0.000 0.000 0.269 177 E C -1.753 174.824 176.600 -0.039 0.000 0.891 177 E CA -0.468 55.919 56.400 -0.022 0.000 0.784 177 E CB 1.116 30.803 29.700 -0.022 0.000 1.225 177 E HN 0.260 nan 8.360 nan 0.000 0.412 178 L N 6.333 127.545 121.223 -0.018 0.000 2.296 178 L HA 0.494 4.834 4.340 -0.000 0.000 0.286 178 L C -0.903 175.981 176.870 0.023 0.000 1.023 178 L CA -0.731 54.112 54.840 0.005 0.000 0.812 178 L CB 0.831 42.907 42.059 0.029 0.000 1.223 178 L HN 0.563 nan 8.230 nan 0.000 0.421 179 L N 5.471 126.679 121.223 -0.025 0.000 2.325 179 L HA 0.502 4.842 4.340 -0.000 0.000 0.279 179 L C -1.076 175.897 176.870 0.171 0.000 1.054 179 L CA -0.796 54.024 54.840 -0.034 0.000 0.804 179 L CB 1.303 43.241 42.059 -0.202 0.000 1.200 179 L HN 0.505 nan 8.230 nan 0.000 0.436 180 Y N 0.630 120.936 120.300 0.010 0.000 2.521 180 Y HA 0.736 5.285 4.550 -0.000 0.000 0.332 180 Y C -0.681 175.216 175.900 -0.005 0.000 1.121 180 Y CA -1.396 56.656 58.100 -0.080 0.000 1.037 180 Y CB 0.649 38.937 38.460 -0.287 0.000 1.330 180 Y HN 0.643 nan 8.280 nan 0.000 0.452 181 A N 2.714 125.429 122.820 -0.176 0.000 2.386 181 A HA 0.369 4.689 4.320 -0.000 0.000 0.248 181 A C 0.667 178.272 177.584 0.034 0.000 1.082 181 A CA 0.090 52.045 52.037 -0.136 0.000 0.789 181 A CB 0.232 19.041 19.000 -0.319 0.000 1.025 181 A HN 0.968 nan 8.150 nan 0.000 0.490 182 E N 1.233 121.444 120.200 0.019 0.000 2.031 182 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 182 E C 1.266 177.975 176.600 0.182 0.000 0.994 182 E CA 1.445 57.906 56.400 0.103 0.000 0.800 182 E CB -0.342 29.401 29.700 0.072 0.000 0.752 182 E HN 0.883 nan 8.360 nan 0.000 0.447 183 D N 0.228 120.715 120.400 0.145 0.000 3.691 183 D HA -0.305 4.335 4.640 -0.000 0.000 0.228 183 D C 0.109 176.517 176.300 0.180 0.000 1.236 183 D CA 1.272 55.358 54.000 0.144 0.000 0.888 183 D CB -0.358 40.536 40.800 0.156 0.000 0.969 183 D HN 0.104 nan 8.370 nan 0.000 0.560 184 F N -0.166 119.824 119.950 0.067 0.000 2.200 184 F HA -0.112 4.415 4.527 -0.000 0.000 0.438 184 F C 1.072 176.907 175.800 0.059 0.000 0.892 184 F CA 0.284 58.332 58.000 0.081 0.000 1.037 184 F CB -0.007 39.117 39.000 0.207 0.000 0.823 184 F HN 0.123 nan 8.300 nan 0.000 0.507 185 A N 4.726 127.336 122.820 -0.351 0.000 1.878 185 A HA -0.014 4.306 4.320 -0.000 0.000 0.213 185 A C 1.228 178.543 177.584 -0.448 0.000 1.192 185 A CA 0.600 52.449 52.037 -0.314 0.000 0.619 185 A CB -0.242 18.610 19.000 -0.246 0.000 0.837 185 A HN 0.596 nan 8.150 nan 0.000 0.446 186 E N 0.208 119.960 120.200 -0.747 0.000 1.972 186 E HA 0.127 4.477 4.350 -0.000 0.000 0.292 186 E C 0.235 176.529 176.600 -0.511 0.000 1.193 186 E CA -0.137 55.957 56.400 -0.510 0.000 1.228 186 E CB 0.592 30.138 29.700 -0.257 0.000 1.167 186 E HN 0.438 nan 8.360 nan 0.000 0.479 187 M N 0.739 120.177 119.600 -0.269 0.000 2.492 187 M HA -0.107 4.373 4.480 -0.000 0.000 0.262 187 M C 1.732 178.026 176.300 -0.009 0.000 1.090 187 M CA 0.832 56.105 55.300 -0.046 0.000 1.110 187 M CB 0.024 32.622 32.600 -0.003 0.000 1.407 187 M HN 0.139 nan 8.290 nan 0.000 0.470 188 S N -0.746 114.929 115.700 -0.042 0.000 2.469 188 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 188 S C 1.771 176.361 174.600 -0.018 0.000 0.998 188 S CA 0.885 59.068 58.200 -0.028 0.000 0.957 188 S CB -0.830 62.348 63.200 -0.036 0.000 0.764 188 S HN 0.540 nan 8.310 nan 0.000 0.514 189 L N 1.114 122.338 121.223 0.002 0.000 2.044 189 L HA 0.148 4.488 4.340 -0.000 0.000 0.205 189 L C 2.337 179.204 176.870 -0.005 0.000 1.075 189 L CA 1.370 56.209 54.840 -0.002 0.000 0.747 189 L CB -0.454 41.618 42.059 0.022 0.000 0.903 189 L HN 0.451 nan 8.230 nan 0.000 0.435 190 I N -3.976 116.609 120.570 0.025 0.000 3.941 190 I HA 0.109 4.278 4.170 -0.000 0.000 0.335 190 I C 1.821 177.891 176.117 -0.078 0.000 1.402 190 I CA 0.157 61.427 61.300 -0.050 0.000 1.112 190 I CB -0.007 37.917 38.000 -0.127 0.000 1.043 190 I HN 0.203 nan 8.210 nan 0.000 0.395 191 E N 2.486 122.660 120.200 -0.044 0.000 2.038 191 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 191 E C 1.345 177.926 176.600 -0.032 0.000 1.000 191 E CA 1.296 57.673 56.400 -0.040 0.000 0.803 191 E CB -0.071 29.618 29.700 -0.020 0.000 0.750 191 E HN 0.629 nan 8.360 nan 0.000 0.448 192 G N 0.676 109.462 108.800 -0.024 0.000 3.288 192 G HA2 0.365 4.325 3.960 -0.000 0.000 0.337 192 G HA3 0.365 4.325 3.960 -0.000 0.000 0.337 192 G C -0.695 174.195 174.900 -0.017 0.000 1.142 192 G CA -0.381 44.711 45.100 -0.014 0.000 1.304 192 G HN -0.041 nan 8.290 nan 0.000 0.475 193 R N 0.951 121.440 120.500 -0.018 0.000 2.535 193 R HA 0.246 4.586 4.340 -0.000 0.000 0.274 193 R C -0.016 176.281 176.300 -0.004 0.000 1.090 193 R CA -0.938 55.152 56.100 -0.017 0.000 0.930 193 R CB 2.512 32.792 30.300 -0.033 0.000 1.223 193 R HN 0.776 nan 8.270 nan 0.000 0.441 194 R N 0.522 121.023 120.500 0.001 0.000 2.679 194 R HA 0.254 4.594 4.340 -0.000 0.000 0.268 194 R C 0.491 176.798 176.300 0.012 0.000 1.044 194 R CA 0.864 56.970 56.100 0.009 0.000 1.105 194 R CB 0.320 30.625 30.300 0.007 0.000 0.989 194 R HN 0.749 nan 8.270 nan 0.000 0.447 195 G N 2.289 111.102 108.800 0.021 0.000 2.176 195 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 195 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 195 G C -0.003 174.916 174.900 0.031 0.000 1.024 195 G CA 0.135 45.248 45.100 0.022 0.000 0.755 195 G HN 0.499 nan 8.290 nan 0.000 0.507 196 L N -0.008 121.252 121.223 0.062 0.000 2.426 196 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 196 L C 0.793 177.767 176.870 0.174 0.000 1.169 196 L CA -0.243 54.684 54.840 0.145 0.000 0.836 196 L CB 0.613 42.758 42.059 0.143 0.000 1.112 196 L HN 0.076 nan 8.230 nan 0.000 0.465 197 R N 3.190 123.801 120.500 0.185 0.000 2.625 197 R HA 0.209 4.549 4.340 -0.000 0.000 0.286 197 R C -0.709 175.450 176.300 -0.235 0.000 1.406 197 R CA -0.674 55.408 56.100 -0.030 0.000 1.052 197 R CB 1.426 31.613 30.300 -0.189 0.000 1.203 197 R HN 0.602 nan 8.270 nan 0.000 0.502 198 R N 2.814 123.116 120.500 -0.330 0.000 2.449 198 R HA 0.142 4.482 4.340 -0.000 0.000 0.296 198 R C -0.553 175.527 176.300 -0.367 0.000 1.047 198 R CA 0.045 55.733 56.100 -0.687 0.000 1.018 198 R CB 0.583 30.647 30.300 -0.393 0.000 0.962 198 R HN 0.222 nan 8.270 nan 0.000 0.428 199 R N 4.947 125.241 120.500 -0.343 0.000 2.778 199 R HA 0.493 4.833 4.340 -0.000 0.000 0.277 199 R C -2.499 173.745 176.300 -0.092 0.000 0.977 199 R CA -2.860 53.135 56.100 -0.174 0.000 0.950 199 R CB 1.182 31.406 30.300 -0.127 0.000 1.165 199 R HN 0.589 nan 8.270 nan 0.000 0.474 200 P HA 0.165 nan 4.420 nan 0.000 0.277 200 P C 0.848 178.107 177.300 -0.068 0.000 1.240 200 P CA -0.509 62.536 63.100 -0.092 0.000 0.798 200 P CB 0.956 32.601 31.700 -0.093 0.000 0.979 201 L N 1.862 123.147 121.223 0.103 0.000 2.127 201 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 201 L C 2.127 179.104 176.870 0.178 0.000 1.089 201 L CA 1.587 56.541 54.840 0.191 0.000 0.757 201 L CB -0.516 41.668 42.059 0.209 0.000 0.899 201 L HN 0.597 nan 8.230 nan 0.000 0.434 202 W N 0.164 121.520 121.300 0.094 0.000 2.465 202 W HA -0.131 4.529 4.660 -0.000 0.000 0.268 202 W C 1.417 177.923 176.519 -0.021 0.000 1.242 202 W CA 0.374 57.741 57.345 0.037 0.000 1.248 202 W CB -0.844 28.628 29.460 0.019 0.000 1.118 202 W HN 0.233 nan 8.180 nan 0.000 0.587 203 E N 0.342 120.123 120.200 -0.697 0.000 2.274 203 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 203 E C 0.813 177.037 176.600 -0.626 0.000 0.996 203 E CA 0.901 56.823 56.400 -0.796 0.000 0.840 203 E CB -0.458 28.630 29.700 -1.021 0.000 0.772 203 E HN 0.263 nan 8.360 nan 0.000 0.491 204 F N 1.234 120.944 119.950 -0.401 0.000 2.660 204 F HA 0.114 4.641 4.527 -0.000 0.000 0.297 204 F C 0.948 176.477 175.800 -0.452 0.000 1.132 204 F CA -0.021 57.638 58.000 -0.569 0.000 1.372 204 F CB 0.358 38.821 39.000 -0.895 0.000 1.003 204 F HN -0.196 nan 8.300 nan 0.000 0.524 205 E N 1.335 121.483 120.200 -0.086 0.000 2.259 205 E HA 0.024 4.374 4.350 -0.000 0.000 0.281 205 E C 1.280 177.869 176.600 -0.018 0.000 1.037 205 E CA -0.071 56.331 56.400 0.004 0.000 0.854 205 E CB 1.009 30.763 29.700 0.091 0.000 1.051 205 E HN 0.309 nan 8.360 nan 0.000 0.409 206 I N 5.084 125.667 120.570 0.022 0.000 2.163 206 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 206 I C 1.334 177.465 176.117 0.024 0.000 1.085 206 I CA 1.778 63.097 61.300 0.031 0.000 1.347 206 I CB -0.016 38.034 38.000 0.083 0.000 1.044 206 I HN 0.518 nan 8.210 nan 0.000 0.408 207 D N -0.428 119.993 120.400 0.034 0.000 2.123 207 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 207 D C 2.247 178.557 176.300 0.016 0.000 0.976 207 D CA 1.666 55.683 54.000 0.028 0.000 0.831 207 D CB -0.351 40.469 40.800 0.034 0.000 0.974 207 D HN 0.320 nan 8.370 nan 0.000 0.469 208 T N 0.328 114.893 114.554 0.019 0.000 2.720 208 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 208 T C 1.867 176.556 174.700 -0.018 0.000 1.037 208 T CA 1.540 63.647 62.100 0.013 0.000 1.144 208 T CB -0.200 68.694 68.868 0.044 0.000 0.864 208 T HN 0.185 nan 8.240 nan 0.000 0.444 209 A N 1.198 123.996 122.820 -0.036 0.000 1.969 209 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 209 A C 2.347 179.900 177.584 -0.052 0.000 1.169 209 A CA 1.098 53.096 52.037 -0.066 0.000 0.635 209 A CB -0.391 18.554 19.000 -0.092 0.000 0.810 209 A HN 0.373 nan 8.150 nan 0.000 0.445 210 R N -0.735 119.753 120.500 -0.021 0.000 2.096 210 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 210 R C 2.545 178.836 176.300 -0.016 0.000 1.127 210 R CA 1.546 57.644 56.100 -0.003 0.000 0.968 210 R CB -0.238 30.074 30.300 0.020 0.000 0.861 210 R HN 0.783 nan 8.270 nan 0.000 0.440 211 Q N 0.444 120.231 119.800 -0.021 0.000 1.994 211 Q HA -0.170 4.170 4.340 -0.000 0.000 0.198 211 Q C 1.955 177.917 176.000 -0.063 0.000 0.976 211 Q CA 1.104 56.892 55.803 -0.026 0.000 0.828 211 Q CB 0.072 28.801 28.738 -0.014 0.000 0.894 211 Q HN 0.237 nan 8.270 nan 0.000 0.432 212 Q N 0.520 120.276 119.800 -0.074 0.000 2.133 212 Q HA -0.176 4.164 4.340 -0.000 0.000 0.208 212 Q C 2.308 178.191 176.000 -0.196 0.000 0.991 212 Q CA 1.398 57.137 55.803 -0.107 0.000 0.867 212 Q CB -0.369 28.313 28.738 -0.094 0.000 0.911 212 Q HN 0.452 nan 8.270 nan 0.000 0.417 213 L N 0.587 121.678 121.223 -0.220 0.000 2.056 213 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 213 L C 2.112 178.684 176.870 -0.498 0.000 1.078 213 L CA 0.829 55.407 54.840 -0.437 0.000 0.749 213 L CB -0.395 41.520 42.059 -0.240 0.000 0.901 213 L HN 0.210 nan 8.230 nan 0.000 0.433 214 N N -0.053 118.555 118.700 -0.152 0.000 2.309 214 N HA -0.152 4.588 4.740 -0.000 0.000 0.182 214 N C 1.798 177.296 175.510 -0.020 0.000 1.018 214 N CA 1.027 54.078 53.050 0.002 0.000 0.876 214 N CB 0.019 38.537 38.487 0.052 0.000 0.972 214 N HN 0.207 nan 8.380 nan 0.000 0.434 215 L N 1.418 122.589 121.223 -0.087 0.000 2.068 215 L HA -0.117 4.223 4.340 -0.000 0.000 0.204 215 L C 2.468 179.292 176.870 -0.078 0.000 1.076 215 L CA 1.484 56.290 54.840 -0.057 0.000 0.753 215 L CB -0.631 41.392 42.059 -0.060 0.000 0.910 215 L HN -0.028 nan 8.230 nan 0.000 0.439 216 Q N -0.254 119.423 119.800 -0.205 0.000 2.062 216 Q HA -0.259 4.081 4.340 -0.000 0.000 0.209 216 Q C 1.751 177.728 176.000 -0.038 0.000 0.996 216 Q CA 2.456 58.123 55.803 -0.225 0.000 0.859 216 Q CB -0.494 27.947 28.738 -0.496 0.000 0.920 216 Q HN 0.534 nan 8.270 nan 0.000 0.415 217 F N -1.237 118.758 119.950 0.075 0.000 2.789 217 F HA 0.360 4.887 4.527 -0.000 0.000 0.300 217 F C 1.702 177.596 175.800 0.158 0.000 1.132 217 F CA 0.398 58.477 58.000 0.131 0.000 1.404 217 F CB -0.422 38.703 39.000 0.209 0.000 1.114 217 F HN 0.259 nan 8.300 nan 0.000 0.584 218 G N 1.107 110.048 108.800 0.235 0.000 2.160 218 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.251 218 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.251 218 G C 0.330 175.326 174.900 0.159 0.000 1.008 218 G CA 0.537 45.734 45.100 0.161 0.000 0.724 218 G HN 0.579 nan 8.290 nan 0.000 0.514 219 T N -3.314 111.365 114.554 0.208 0.000 2.945 219 T HA 0.702 5.052 4.350 -0.000 0.000 0.286 219 T C 1.315 176.080 174.700 0.108 0.000 1.025 219 T CA 0.023 62.214 62.100 0.151 0.000 1.039 219 T CB 1.821 70.807 68.868 0.197 0.000 1.068 219 T HN 0.608 nan 8.240 nan 0.000 0.497 220 R N 0.701 121.240 120.500 0.065 0.000 2.112 220 R HA 0.212 4.552 4.340 -0.000 0.000 0.216 220 R C -0.195 176.138 176.300 0.055 0.000 1.080 220 R CA 0.575 56.704 56.100 0.049 0.000 0.996 220 R CB -0.356 29.961 30.300 0.028 0.000 0.902 220 R HN 0.739 nan 8.270 nan 0.000 0.449 221 D N -0.268 120.165 120.400 0.054 0.000 2.490 221 D HA 0.194 4.834 4.640 -0.000 0.000 0.232 221 D C -0.325 176.029 176.300 0.090 0.000 1.053 221 D CA -0.918 53.118 54.000 0.061 0.000 0.914 221 D CB 1.297 42.114 40.800 0.029 0.000 1.431 221 D HN 0.068 nan 8.370 nan 0.000 0.483 222 L N 1.777 123.084 121.223 0.139 0.000 2.888 222 L HA 0.192 4.532 4.340 -0.000 0.000 0.237 222 L C 0.983 177.920 176.870 0.110 0.000 1.288 222 L CA -0.195 54.796 54.840 0.252 0.000 1.110 222 L CB 0.085 42.336 42.059 0.321 0.000 1.441 222 L HN 0.372 nan 8.230 nan 0.000 0.474 223 V N -0.337 119.560 119.914 -0.028 0.000 2.725 223 V HA -0.025 4.095 4.120 -0.000 0.000 0.247 223 V C 2.456 178.460 176.094 -0.150 0.000 1.058 223 V CA 1.558 63.824 62.300 -0.056 0.000 1.080 223 V CB -0.362 31.433 31.823 -0.046 0.000 0.713 223 V HN 0.645 nan 8.190 nan 0.000 0.465 224 G N -0.250 108.345 108.800 -0.342 0.000 2.479 224 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 224 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 224 G C 1.210 175.839 174.900 -0.452 0.000 1.115 224 G CA 0.781 45.593 45.100 -0.480 0.000 0.757 224 G HN 0.522 nan 8.290 nan 0.000 0.560 225 F N -0.221 119.693 119.950 -0.059 0.000 2.746 225 F HA 0.357 4.883 4.527 -0.000 0.000 0.297 225 F C 2.032 177.791 175.800 -0.069 0.000 1.113 225 F CA -0.238 57.705 58.000 -0.096 0.000 1.367 225 F CB 0.125 39.035 39.000 -0.149 0.000 1.111 225 F HN 0.227 nan 8.300 nan 0.000 0.590 226 G N 0.621 109.476 108.800 0.090 0.000 2.132 226 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.234 226 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.234 226 G C 0.695 175.629 174.900 0.056 0.000 0.989 226 G CA 0.488 45.618 45.100 0.050 0.000 0.676 226 G HN 0.687 nan 8.290 nan 0.000 0.522 227 V N -2.657 117.308 119.914 0.085 0.000 3.346 227 V HA 0.610 4.730 4.120 -0.000 0.000 0.309 227 V C 1.544 177.682 176.094 0.073 0.000 1.457 227 V CA 1.374 63.715 62.300 0.069 0.000 1.069 227 V CB 0.932 32.786 31.823 0.051 0.000 0.944 227 V HN 0.245 nan 8.190 nan 0.000 0.449 228 E N 3.612 123.857 120.200 0.074 0.000 2.204 228 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 228 E C 1.476 178.110 176.600 0.056 0.000 0.989 228 E CA 1.716 58.157 56.400 0.069 0.000 0.824 228 E CB -0.175 29.560 29.700 0.058 0.000 0.756 228 E HN 0.900 nan 8.360 nan 0.000 0.477 229 N N 0.257 118.986 118.700 0.048 0.000 2.451 229 N HA 0.162 4.902 4.740 -0.000 0.000 0.264 229 N C -0.988 174.553 175.510 0.051 0.000 1.167 229 N CA 0.301 53.378 53.050 0.045 0.000 0.898 229 N CB 0.842 39.349 38.487 0.034 0.000 1.176 229 N HN 0.103 nan 8.380 nan 0.000 0.507 230 A N 0.845 123.702 122.820 0.062 0.000 3.216 230 A HA 0.426 4.746 4.320 -0.000 0.000 0.321 230 A C -1.926 175.714 177.584 0.094 0.000 1.042 230 A CA -0.910 51.170 52.037 0.072 0.000 0.838 230 A CB 1.186 20.223 19.000 0.063 0.000 1.136 230 A HN 0.135 nan 8.150 nan 0.000 0.483 231 P HA -0.135 nan 4.420 nan 0.000 0.215 231 P C 1.480 178.911 177.300 0.219 0.000 1.157 231 P CA 0.805 63.988 63.100 0.138 0.000 0.856 231 P CB 0.172 31.951 31.700 0.131 0.000 0.786 232 R N -0.166 120.490 120.500 0.261 0.000 2.112 232 R HA -0.123 4.217 4.340 -0.000 0.000 0.242 232 R C 2.683 179.272 176.300 0.482 0.000 1.137 232 R CA 2.099 58.461 56.100 0.437 0.000 0.944 232 R CB -1.586 28.873 30.300 0.265 0.000 0.857 232 R HN 0.273 nan 8.270 nan 0.000 0.435 233 G N 0.564 109.538 108.800 0.289 0.000 2.421 233 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 233 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 233 G C 1.464 176.438 174.900 0.124 0.000 1.143 233 G CA 0.065 45.299 45.100 0.224 0.000 0.784 233 G HN 0.129 nan 8.290 nan 0.000 0.541 234 L N 0.024 121.305 121.223 0.097 0.000 2.131 234 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 234 L C 2.820 179.688 176.870 -0.002 0.000 1.092 234 L CA 0.636 55.493 54.840 0.029 0.000 0.759 234 L CB -0.246 41.838 42.059 0.043 0.000 0.903 234 L HN 0.259 nan 8.230 nan 0.000 0.435 235 C N -0.996 118.319 119.300 0.024 0.000 2.450 235 C HA -0.051 4.409 4.460 -0.000 0.000 0.279 235 C C 3.008 177.887 174.990 -0.185 0.000 1.335 235 C CA 0.555 59.492 59.018 -0.135 0.000 1.749 235 C CB -0.873 26.698 27.740 -0.281 0.000 1.963 235 C HN 0.618 nan 8.230 nan 0.000 0.501 236 A N 0.573 123.383 122.820 -0.017 0.000 1.873 236 A HA 0.120 4.440 4.320 -0.000 0.000 0.215 236 A C 2.359 179.915 177.584 -0.046 0.000 1.186 236 A CA 1.828 53.900 52.037 0.059 0.000 0.616 236 A CB -0.943 18.175 19.000 0.197 0.000 0.823 236 A HN 0.531 nan 8.150 nan 0.000 0.442 237 A N -0.506 122.303 122.820 -0.019 0.000 2.019 237 A HA 0.162 4.482 4.320 -0.000 0.000 0.219 237 A C 2.277 179.881 177.584 0.033 0.000 1.164 237 A CA 1.773 53.839 52.037 0.047 0.000 0.644 237 A CB -1.162 17.745 19.000 -0.155 0.000 0.805 237 A HN 0.673 nan 8.150 nan 0.000 0.449 238 G N -1.014 107.726 108.800 -0.099 0.000 2.404 238 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.215 238 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.215 238 G C 1.788 176.538 174.900 -0.248 0.000 1.174 238 G CA 1.190 46.197 45.100 -0.155 0.000 0.780 238 G HN 0.595 nan 8.290 nan 0.000 0.537 239 C N 0.036 119.071 119.300 -0.442 0.000 2.429 239 C HA 0.129 4.589 4.460 -0.000 0.000 0.277 239 C C 2.740 177.530 174.990 -0.335 0.000 1.262 239 C CA 1.012 59.657 59.018 -0.621 0.000 1.733 239 C CB -1.068 25.896 27.740 -1.294 0.000 2.010 239 C HN 0.425 nan 8.230 nan 0.000 0.483 240 L N 0.353 121.451 121.223 -0.207 0.000 2.005 240 L HA -0.042 4.297 4.340 -0.000 0.000 0.207 240 L C 2.428 179.262 176.870 -0.061 0.000 1.072 240 L CA 1.837 56.619 54.840 -0.097 0.000 0.744 240 L CB -0.618 41.419 42.059 -0.037 0.000 0.895 240 L HN 0.428 nan 8.230 nan 0.000 0.433 241 L N -0.343 120.855 121.223 -0.042 0.000 2.131 241 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 241 L C 2.449 179.265 176.870 -0.090 0.000 1.092 241 L CA 1.731 56.524 54.840 -0.079 0.000 0.759 241 L CB -0.616 41.446 42.059 0.004 0.000 0.903 241 L HN 0.375 nan 8.230 nan 0.000 0.435 242 Q N -1.784 117.959 119.800 -0.096 0.000 2.187 242 Q HA -0.202 4.138 4.340 -0.000 0.000 0.199 242 Q C 2.100 178.055 176.000 -0.076 0.000 0.957 242 Q CA 1.585 57.328 55.803 -0.099 0.000 0.857 242 Q CB -0.291 28.367 28.738 -0.134 0.000 0.929 242 Q HN 0.657 nan 8.270 nan 0.000 0.453 243 Y N 1.133 121.323 120.300 -0.182 0.000 2.263 243 Y HA -0.130 4.420 4.550 -0.000 0.000 0.292 243 Y C 2.177 178.001 175.900 -0.127 0.000 1.130 243 Y CA 1.149 59.155 58.100 -0.156 0.000 1.179 243 Y CB -0.135 38.223 38.460 -0.170 0.000 0.998 243 Y HN 0.071 nan 8.280 nan 0.000 0.532 244 A N 0.798 123.581 122.820 -0.062 0.000 1.855 244 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 244 A C 2.233 179.715 177.584 -0.170 0.000 1.191 244 A CA 1.738 53.702 52.037 -0.122 0.000 0.613 244 A CB -0.498 18.434 19.000 -0.114 0.000 0.829 244 A HN 0.407 nan 8.150 nan 0.000 0.442 245 K N -0.383 119.934 120.400 -0.139 0.000 2.113 245 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 245 K C 1.671 178.185 176.600 -0.144 0.000 1.047 245 K CA 1.718 57.933 56.287 -0.120 0.000 0.928 245 K CB -0.379 32.063 32.500 -0.096 0.000 0.716 245 K HN 0.538 nan 8.250 nan 0.000 0.446 246 D N 0.519 120.802 120.400 -0.194 0.000 2.144 246 D HA -0.114 4.526 4.640 -0.000 0.000 0.200 246 D C 1.842 177.996 176.300 -0.244 0.000 0.978 246 D CA 1.792 55.668 54.000 -0.206 0.000 0.833 246 D CB 0.021 40.679 40.800 -0.237 0.000 0.961 246 D HN 0.308 nan 8.370 nan 0.000 0.470 247 T N -2.405 111.943 114.554 -0.343 0.000 2.915 247 T HA -0.102 4.248 4.350 -0.000 0.000 0.269 247 T C 1.638 176.233 174.700 -0.175 0.000 1.071 247 T CA 0.780 62.706 62.100 -0.290 0.000 1.132 247 T CB -0.058 68.612 68.868 -0.329 0.000 0.878 247 T HN 0.060 nan 8.240 nan 0.000 0.479 248 Q N 0.116 119.827 119.800 -0.148 0.000 2.349 248 Q HA 0.214 4.554 4.340 -0.000 0.000 0.209 248 Q C 0.555 176.503 176.000 -0.087 0.000 0.920 248 Q CA 0.089 55.828 55.803 -0.106 0.000 0.901 248 Q CB 0.033 28.714 28.738 -0.095 0.000 1.021 248 Q HN 0.396 nan 8.270 nan 0.000 0.519 249 R N 0.828 121.275 120.500 -0.088 0.000 3.387 249 R HA -0.143 4.196 4.340 -0.000 0.000 0.254 249 R C -0.105 176.161 176.300 -0.057 0.000 1.006 249 R CA 1.035 57.096 56.100 -0.066 0.000 0.677 249 R CB -2.877 27.391 30.300 -0.053 0.000 1.063 249 R HN 0.329 nan 8.270 nan 0.000 0.453 250 T N -1.658 112.859 114.554 -0.063 0.000 2.816 250 T HA 0.452 4.802 4.350 -0.000 0.000 0.299 250 T C -0.422 174.243 174.700 -0.058 0.000 1.230 250 T CA 0.171 62.235 62.100 -0.060 0.000 1.007 250 T CB 1.521 70.345 68.868 -0.073 0.000 1.289 250 T HN 0.245 nan 8.240 nan 0.000 0.508 251 T N 1.599 116.120 114.554 -0.054 0.000 2.913 251 T HA 0.553 4.903 4.350 -0.000 0.000 0.297 251 T C 0.205 174.880 174.700 -0.042 0.000 1.029 251 T CA -0.562 61.514 62.100 -0.040 0.000 1.104 251 T CB 0.158 69.008 68.868 -0.031 0.000 0.964 251 T HN 0.430 nan 8.240 nan 0.000 0.532 252 L N 3.557 124.784 121.223 0.007 0.000 2.599 252 L HA 0.296 4.636 4.340 -0.000 0.000 0.241 252 L C -1.508 175.473 176.870 0.184 0.000 1.207 252 L CA -1.923 52.977 54.840 0.100 0.000 0.987 252 L CB 1.135 43.269 42.059 0.124 0.000 1.318 252 L HN 0.527 nan 8.230 nan 0.000 0.458 253 P HA -0.177 nan 4.420 nan 0.000 0.223 253 P C 1.183 178.599 177.300 0.194 0.000 1.151 253 P CA 1.253 64.418 63.100 0.110 0.000 0.787 253 P CB -0.067 31.653 31.700 0.033 0.000 0.788 254 H N -0.285 118.780 119.070 -0.009 0.000 2.545 254 H HA 0.073 4.629 4.556 -0.000 0.000 0.282 254 H C 0.682 176.018 175.328 0.013 0.000 1.020 254 H CA -0.210 55.836 56.048 -0.003 0.000 1.243 254 H CB -1.594 28.151 29.762 -0.028 0.000 1.377 254 H HN 0.158 nan 8.280 nan 0.000 0.581 255 I N 3.312 123.884 120.570 0.003 0.000 2.276 255 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 255 I C 1.081 177.299 176.117 0.168 0.000 1.109 255 I CA -0.158 61.116 61.300 -0.044 0.000 1.229 255 I CB 0.456 38.393 38.000 -0.106 0.000 1.452 255 I HN 0.245 nan 8.210 nan 0.000 0.497 256 R N 3.362 123.918 120.500 0.094 0.000 2.565 256 R HA 0.411 4.751 4.340 -0.000 0.000 0.347 256 R C -0.076 176.113 176.300 -0.186 0.000 1.010 256 R CA -0.250 55.925 56.100 0.126 0.000 1.126 256 R CB 0.790 31.158 30.300 0.113 0.000 1.331 256 R HN 0.452 nan 8.270 nan 0.000 0.552 257 S N 0.102 115.407 115.700 -0.658 0.000 2.597 257 S HA 0.484 4.954 4.470 -0.000 0.000 0.274 257 S C -1.887 172.035 174.600 -1.129 0.000 1.132 257 S CA -0.822 56.650 58.200 -1.213 0.000 0.835 257 S CB 1.627 64.634 63.200 -0.321 0.000 1.092 257 S HN 0.304 nan 8.310 nan 0.000 0.457 258 I N 2.027 121.818 120.570 -1.298 0.000 2.722 258 I HA 0.689 4.859 4.170 -0.000 0.000 0.295 258 I C -1.132 174.786 176.117 -0.332 0.000 1.161 258 I CA -0.125 60.763 61.300 -0.687 0.000 1.032 258 I CB 2.339 39.852 38.000 -0.812 0.000 1.244 258 I HN 0.791 nan 8.210 nan 0.000 0.421 259 T N 6.903 121.347 114.554 -0.184 0.000 2.907 259 T HA 0.474 4.824 4.350 -0.000 0.000 0.292 259 T C -0.766 173.899 174.700 -0.058 0.000 1.043 259 T CA -0.585 61.475 62.100 -0.066 0.000 1.003 259 T CB 1.814 70.668 68.868 -0.022 0.000 1.084 259 T HN 0.591 nan 8.240 nan 0.000 0.483 260 M N 2.052 121.641 119.600 -0.018 0.000 2.227 260 M HA 0.424 4.903 4.480 -0.000 0.000 0.335 260 M C -0.886 175.421 176.300 0.012 0.000 1.053 260 M CA -0.519 54.780 55.300 -0.002 0.000 0.973 260 M CB 1.147 33.753 32.600 0.010 0.000 1.623 260 M HN 0.557 nan 8.290 nan 0.000 0.434 261 E N 5.014 125.230 120.200 0.027 0.000 2.129 261 E HA 0.229 4.579 4.350 -0.000 0.000 0.283 261 E C -0.592 176.023 176.600 0.024 0.000 1.080 261 E CA -0.227 56.190 56.400 0.028 0.000 0.867 261 E CB 0.826 30.554 29.700 0.048 0.000 1.056 261 E HN 0.563 nan 8.360 nan 0.000 0.404 262 R N 2.019 122.523 120.500 0.007 0.000 2.580 262 R HA 0.042 4.382 4.340 -0.000 0.000 0.267 262 R C 1.269 177.564 176.300 -0.009 0.000 1.125 262 R CA -0.117 55.984 56.100 0.001 0.000 1.188 262 R CB 0.601 30.895 30.300 -0.010 0.000 1.155 262 R HN 0.680 nan 8.270 nan 0.000 0.586 263 E N 0.691 120.883 120.200 -0.013 0.000 2.127 263 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 263 E C 1.290 177.863 176.600 -0.045 0.000 0.964 263 E CA 0.272 56.657 56.400 -0.025 0.000 0.832 263 E CB 0.121 29.811 29.700 -0.016 0.000 0.790 263 E HN 0.516 nan 8.360 nan 0.000 0.465 264 Q N 0.670 120.442 119.800 -0.047 0.000 2.466 264 Q HA -0.080 4.260 4.340 -0.000 0.000 0.210 264 Q C -0.003 175.947 176.000 -0.082 0.000 0.961 264 Q CA 0.777 56.538 55.803 -0.070 0.000 0.953 264 Q CB 0.190 28.887 28.738 -0.068 0.000 1.011 264 Q HN 0.243 nan 8.270 nan 0.000 0.516 265 D N 1.273 121.633 120.400 -0.067 0.000 2.325 265 D HA 0.087 4.727 4.640 -0.000 0.000 0.225 265 D C -0.362 175.890 176.300 -0.081 0.000 1.096 265 D CA 0.325 54.282 54.000 -0.072 0.000 0.844 265 D CB 0.466 41.235 40.800 -0.051 0.000 0.925 265 D HN 0.374 nan 8.370 nan 0.000 0.513 266 S N -0.821 114.824 115.700 -0.091 0.000 2.535 266 S HA 0.419 4.889 4.470 -0.000 0.000 0.272 266 S C -0.544 173.985 174.600 -0.118 0.000 1.149 266 S CA -0.902 57.244 58.200 -0.090 0.000 0.888 266 S CB 1.058 64.224 63.200 -0.057 0.000 1.110 266 S HN -0.015 nan 8.310 nan 0.000 0.463 267 I N 2.734 123.222 120.570 -0.137 0.000 2.578 267 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 267 I C -0.330 175.713 176.117 -0.124 0.000 1.126 267 I CA -0.175 61.032 61.300 -0.156 0.000 1.380 267 I CB -0.010 37.887 38.000 -0.172 0.000 1.408 267 I HN 0.555 nan 8.210 nan 0.000 0.532 268 I N 8.065 128.552 120.570 -0.138 0.000 2.556 268 I HA 0.121 4.291 4.170 -0.000 0.000 0.284 268 I C 0.217 176.212 176.117 -0.202 0.000 1.114 268 I CA 0.789 62.004 61.300 -0.142 0.000 1.418 268 I CB 0.304 38.224 38.000 -0.133 0.000 1.394 268 I HN 0.465 nan 8.210 nan 0.000 0.552 269 M N 6.136 125.642 119.600 -0.157 0.000 2.151 269 M HA 0.281 4.761 4.480 -0.000 0.000 0.290 269 M C -0.766 175.457 176.300 -0.129 0.000 0.965 269 M CA -0.873 54.326 55.300 -0.169 0.000 0.930 269 M CB 1.518 34.062 32.600 -0.092 0.000 1.560 269 M HN 0.586 nan 8.290 nan 0.000 0.438 270 D N 2.291 122.597 120.400 -0.156 0.000 2.364 270 D HA 0.067 4.706 4.640 -0.000 0.000 0.236 270 D C 0.831 177.103 176.300 -0.046 0.000 1.221 270 D CA -0.068 53.883 54.000 -0.083 0.000 0.891 270 D CB 0.989 41.764 40.800 -0.042 0.000 1.190 270 D HN 0.683 nan 8.370 nan 0.000 0.449 271 A N 1.283 124.082 122.820 -0.035 0.000 1.877 271 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 271 A C 2.273 179.856 177.584 -0.002 0.000 1.186 271 A CA 2.374 54.399 52.037 -0.020 0.000 0.620 271 A CB -1.079 17.903 19.000 -0.029 0.000 0.822 271 A HN 0.731 nan 8.150 nan 0.000 0.443 272 A N -1.453 121.368 122.820 0.002 0.000 2.076 272 A HA -0.069 4.251 4.320 -0.000 0.000 0.220 272 A C 2.199 179.793 177.584 0.017 0.000 1.160 272 A CA 2.219 54.264 52.037 0.013 0.000 0.653 272 A CB -0.922 18.091 19.000 0.021 0.000 0.801 272 A HN 0.439 nan 8.150 nan 0.000 0.455 273 T N -1.055 113.503 114.554 0.006 0.000 2.894 273 T HA -0.016 4.334 4.350 -0.000 0.000 0.258 273 T C 2.058 176.761 174.700 0.005 0.000 1.043 273 T CA 1.104 63.203 62.100 -0.002 0.000 1.141 273 T CB -0.119 68.723 68.868 -0.045 0.000 0.873 273 T HN 0.520 nan 8.240 nan 0.000 0.449 274 R N 0.684 121.195 120.500 0.019 0.000 2.120 274 R HA 0.097 4.437 4.340 -0.000 0.000 0.234 274 R C 2.641 178.976 176.300 0.059 0.000 1.123 274 R CA 1.029 57.164 56.100 0.059 0.000 0.975 274 R CB -0.026 30.350 30.300 0.126 0.000 0.866 274 R HN 0.252 nan 8.270 nan 0.000 0.446 275 R N -0.010 120.515 120.500 0.042 0.000 2.062 275 R HA 0.006 4.346 4.340 -0.000 0.000 0.229 275 R C 1.628 177.947 176.300 0.032 0.000 1.128 275 R CA 1.184 57.306 56.100 0.037 0.000 0.960 275 R CB -0.122 30.194 30.300 0.026 0.000 0.855 275 R HN 0.211 nan 8.270 nan 0.000 0.432 276 N N 0.713 119.429 118.700 0.027 0.000 2.331 276 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 276 N C 1.631 177.161 175.510 0.035 0.000 1.019 276 N CA 0.870 53.938 53.050 0.029 0.000 0.881 276 N CB 0.003 38.506 38.487 0.026 0.000 0.972 276 N HN 0.203 nan 8.380 nan 0.000 0.435 277 L N 0.638 121.876 121.223 0.024 0.000 2.492 277 L HA 0.078 4.418 4.340 -0.000 0.000 0.223 277 L C -0.201 176.682 176.870 0.023 0.000 1.132 277 L CA 0.193 55.042 54.840 0.015 0.000 0.850 277 L CB -0.320 41.727 42.059 -0.019 0.000 0.966 277 L HN 0.125 nan 8.230 nan 0.000 0.454 278 E N 0.205 120.422 120.200 0.029 0.000 2.197 278 E HA -0.264 4.086 4.350 -0.000 0.000 0.184 278 E C 0.974 177.579 176.600 0.008 0.000 1.439 278 E CA -0.004 56.416 56.400 0.033 0.000 0.688 278 E CB -1.195 28.534 29.700 0.047 0.000 1.090 278 E HN 0.508 nan 8.360 nan 0.000 0.341 279 I N -0.139 120.410 120.570 -0.035 0.000 2.133 279 I HA -0.226 3.944 4.170 -0.000 0.000 0.238 279 I C 2.412 178.487 176.117 -0.070 0.000 1.074 279 I CA 2.115 63.335 61.300 -0.133 0.000 1.342 279 I CB -0.280 37.476 38.000 -0.406 0.000 1.053 279 I HN 0.414 nan 8.210 nan 0.000 0.404 280 T N -3.298 111.271 114.554 0.024 0.000 2.975 280 T HA 0.123 4.473 4.350 -0.000 0.000 0.257 280 T C 0.541 175.291 174.700 0.084 0.000 1.003 280 T CA -0.291 61.868 62.100 0.099 0.000 0.932 280 T CB 0.330 69.347 68.868 0.250 0.000 1.087 280 T HN 0.239 nan 8.240 nan 0.000 0.512 281 Q N 2.328 122.176 119.800 0.079 0.000 2.295 281 Q HA 0.397 4.737 4.340 -0.000 0.000 0.259 281 Q C -1.328 174.699 176.000 0.046 0.000 0.966 281 Q CA -0.858 54.981 55.803 0.059 0.000 0.763 281 Q CB 1.218 29.994 28.738 0.064 0.000 1.283 281 Q HN 0.409 nan 8.270 nan 0.000 0.445 282 N N 2.767 121.489 118.700 0.036 0.000 2.374 282 N HA -0.051 4.689 4.740 -0.000 0.000 0.241 282 N C 0.570 176.097 175.510 0.028 0.000 1.262 282 N CA 0.030 53.099 53.050 0.031 0.000 0.880 282 N CB 0.594 39.097 38.487 0.026 0.000 1.105 282 N HN 0.701 nan 8.380 nan 0.000 0.438 283 L N -0.322 120.916 121.223 0.025 0.000 2.191 283 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 283 L C 2.148 179.029 176.870 0.017 0.000 1.103 283 L CA 1.443 56.296 54.840 0.021 0.000 0.769 283 L CB -0.560 41.510 42.059 0.019 0.000 0.908 283 L HN 0.849 nan 8.230 nan 0.000 0.438 284 A N -0.512 122.318 122.820 0.017 0.000 2.255 284 A HA 0.248 4.568 4.320 -0.000 0.000 0.206 284 A C 1.874 179.466 177.584 0.014 0.000 1.193 284 A CA 0.946 52.991 52.037 0.014 0.000 0.794 284 A CB -0.742 18.266 19.000 0.013 0.000 0.794 284 A HN 0.574 nan 8.150 nan 0.000 0.481 285 G N -2.143 106.666 108.800 0.016 0.000 2.358 285 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.224 285 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.224 285 G C 1.031 175.941 174.900 0.016 0.000 1.073 285 G CA 0.368 45.476 45.100 0.014 0.000 0.635 285 G HN 1.385 nan 8.290 nan 0.000 0.509 286 G N -0.611 108.199 108.800 0.016 0.000 2.714 286 G HA2 0.669 4.629 3.960 -0.000 0.000 0.197 286 G HA3 0.669 4.629 3.960 -0.000 0.000 0.197 286 G C 0.961 175.874 174.900 0.022 0.000 1.449 286 G CA 1.276 46.386 45.100 0.016 0.000 1.065 286 G HN 1.506 nan 8.290 nan 0.000 0.575 287 A N -1.385 121.447 122.820 0.020 0.000 2.551 287 A HA 0.424 4.744 4.320 -0.000 0.000 0.252 287 A C 0.654 178.251 177.584 0.022 0.000 1.199 287 A CA -0.056 51.995 52.037 0.024 0.000 0.972 287 A CB 0.152 19.165 19.000 0.021 0.000 1.153 287 A HN 0.500 nan 8.150 nan 0.000 0.559 288 E N 1.103 121.315 120.200 0.020 0.000 2.371 288 E HA 0.139 4.489 4.350 -0.000 0.000 0.257 288 E C -0.325 176.290 176.600 0.025 0.000 1.134 288 E CA -0.671 55.741 56.400 0.020 0.000 0.919 288 E CB 0.190 29.900 29.700 0.017 0.000 1.025 288 E HN 0.368 nan 8.360 nan 0.000 0.438 289 N N 0.660 119.375 118.700 0.026 0.000 2.708 289 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 289 N C -0.547 174.988 175.510 0.040 0.000 1.017 289 N CA 1.094 54.163 53.050 0.030 0.000 0.742 289 N CB -1.112 37.388 38.487 0.022 0.000 0.943 289 N HN 0.413 nan 8.380 nan 0.000 0.539 290 T N -0.785 113.794 114.554 0.042 0.000 2.926 290 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 290 T C 1.227 175.953 174.700 0.043 0.000 1.054 290 T CA -0.727 61.399 62.100 0.043 0.000 1.015 290 T CB 1.716 70.606 68.868 0.035 0.000 1.167 290 T HN 0.053 nan 8.240 nan 0.000 0.526 291 L N 2.933 124.174 121.223 0.029 0.000 2.083 291 L HA 0.208 4.548 4.340 -0.000 0.000 0.209 291 L C 2.485 179.367 176.870 0.019 0.000 1.083 291 L CA 2.576 57.426 54.840 0.017 0.000 0.752 291 L CB -1.062 40.983 42.059 -0.024 0.000 0.899 291 L HN 0.798 nan 8.230 nan 0.000 0.433 292 A N -1.021 121.806 122.820 0.012 0.000 1.969 292 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 292 A C 2.465 180.063 177.584 0.022 0.000 1.169 292 A CA 1.604 53.651 52.037 0.017 0.000 0.635 292 A CB -1.017 17.994 19.000 0.019 0.000 0.810 292 A HN 0.654 nan 8.150 nan 0.000 0.445 293 S N -0.416 115.299 115.700 0.026 0.000 2.400 293 S HA -0.112 4.358 4.470 -0.000 0.000 0.232 293 S C 1.561 176.177 174.600 0.027 0.000 1.025 293 S CA 1.656 59.871 58.200 0.024 0.000 0.993 293 S CB -0.593 62.622 63.200 0.026 0.000 0.808 293 S HN 0.283 nan 8.310 nan 0.000 0.478 294 V N 0.639 120.575 119.914 0.037 0.000 3.125 294 V HA 0.284 4.404 4.120 -0.000 0.000 0.249 294 V C 2.180 178.307 176.094 0.056 0.000 1.113 294 V CA 0.659 62.987 62.300 0.047 0.000 1.106 294 V CB -0.387 31.475 31.823 0.066 0.000 0.768 294 V HN 0.419 nan 8.190 nan 0.000 0.468 295 L N -0.428 120.831 121.223 0.059 0.000 2.463 295 L HA 0.211 4.551 4.340 -0.000 0.000 0.219 295 L C 0.902 177.796 176.870 0.039 0.000 1.088 295 L CA 0.491 55.374 54.840 0.072 0.000 0.849 295 L CB 0.232 42.339 42.059 0.079 0.000 1.012 295 L HN 0.287 nan 8.230 nan 0.000 0.468 296 D N 0.209 120.622 120.400 0.021 0.000 2.524 296 D HA 0.089 4.729 4.640 -0.000 0.000 0.222 296 D C -0.527 175.771 176.300 -0.004 0.000 1.142 296 D CA -0.179 53.821 54.000 0.000 0.000 0.973 296 D CB 0.462 41.260 40.800 -0.004 0.000 1.025 296 D HN 0.069 nan 8.370 nan 0.000 0.519 297 C N 3.525 122.821 119.300 -0.007 0.000 2.534 297 C HA 0.222 4.682 4.460 -0.000 0.000 0.285 297 C C 0.988 175.968 174.990 -0.018 0.000 1.505 297 C CA -0.584 58.428 59.018 -0.010 0.000 1.715 297 C CB -1.336 26.399 27.740 -0.007 0.000 2.935 297 C HN 0.557 nan 8.230 nan 0.000 0.540 298 T N -1.480 113.057 114.554 -0.029 0.000 2.788 298 T HA 0.351 4.701 4.350 -0.000 0.000 0.287 298 T C 0.974 175.656 174.700 -0.030 0.000 1.007 298 T CA 0.077 62.153 62.100 -0.040 0.000 1.005 298 T CB 1.194 70.024 68.868 -0.064 0.000 1.012 298 T HN 0.493 nan 8.240 nan 0.000 0.530 299 V N -2.891 117.005 119.914 -0.029 0.000 3.432 299 V HA 0.369 4.489 4.120 -0.000 0.000 0.298 299 V C 0.559 176.641 176.094 -0.021 0.000 1.464 299 V CA 0.222 62.510 62.300 -0.019 0.000 1.046 299 V CB -0.686 31.130 31.823 -0.011 0.000 0.887 299 V HN 1.205 nan 8.190 nan 0.000 0.441 300 T N -3.159 111.377 114.554 -0.031 0.000 2.893 300 T HA 0.642 4.992 4.350 -0.000 0.000 0.291 300 T C -2.266 172.411 174.700 -0.039 0.000 1.028 300 T CA -1.692 60.389 62.100 -0.031 0.000 0.995 300 T CB 2.159 71.007 68.868 -0.034 0.000 1.051 300 T HN -0.026 nan 8.240 nan 0.000 0.470 301 P HA -0.073 nan 4.420 nan 0.000 0.218 301 P C 1.813 179.086 177.300 -0.045 0.000 1.149 301 P CA 1.140 64.218 63.100 -0.036 0.000 0.817 301 P CB -0.191 31.491 31.700 -0.030 0.000 0.785 302 M N -2.842 116.730 119.600 -0.047 0.000 2.319 302 M HA 0.132 4.612 4.480 -0.000 0.000 0.265 302 M C 2.073 178.322 176.300 -0.084 0.000 1.068 302 M CA 2.140 57.407 55.300 -0.054 0.000 1.118 302 M CB -1.551 31.023 32.600 -0.044 0.000 1.395 302 M HN -0.195 nan 8.290 nan 0.000 0.435 303 G N 0.202 108.947 108.800 -0.092 0.000 2.421 303 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 303 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 303 G C 1.614 176.424 174.900 -0.149 0.000 1.143 303 G CA 0.914 45.932 45.100 -0.137 0.000 0.784 303 G HN 0.520 nan 8.290 nan 0.000 0.541 304 S N -0.028 115.614 115.700 -0.097 0.000 2.371 304 S HA -0.012 4.458 4.470 -0.000 0.000 0.224 304 S C 2.472 177.027 174.600 -0.075 0.000 1.029 304 S CA 0.880 59.034 58.200 -0.077 0.000 0.978 304 S CB -0.160 63.013 63.200 -0.046 0.000 0.833 304 S HN 0.416 nan 8.310 nan 0.000 0.466 305 R N 0.267 120.725 120.500 -0.069 0.000 2.092 305 R HA 0.050 4.390 4.340 -0.000 0.000 0.231 305 R C 2.520 178.776 176.300 -0.072 0.000 1.119 305 R CA 1.570 57.641 56.100 -0.049 0.000 0.970 305 R CB -0.356 29.922 30.300 -0.036 0.000 0.864 305 R HN 0.480 nan 8.270 nan 0.000 0.440 306 M N 0.715 120.226 119.600 -0.147 0.000 2.229 306 M HA -0.125 4.355 4.480 -0.000 0.000 0.264 306 M C 1.957 178.000 176.300 -0.427 0.000 1.063 306 M CA 1.357 56.500 55.300 -0.262 0.000 1.114 306 M CB 0.074 32.454 32.600 -0.367 0.000 1.387 306 M HN 0.175 nan 8.290 nan 0.000 0.420 307 L N 0.322 121.335 121.223 -0.350 0.000 2.131 307 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 307 L C 1.993 178.844 176.870 -0.031 0.000 1.087 307 L CA 1.778 56.446 54.840 -0.286 0.000 0.767 307 L CB -0.529 41.413 42.059 -0.195 0.000 0.917 307 L HN 0.155 nan 8.230 nan 0.000 0.441 308 K N -0.639 119.760 120.400 -0.003 0.000 2.148 308 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 308 K C 2.216 178.932 176.600 0.194 0.000 1.050 308 K CA 1.095 57.438 56.287 0.094 0.000 0.942 308 K CB -0.078 32.473 32.500 0.086 0.000 0.724 308 K HN 0.359 nan 8.250 nan 0.000 0.446 309 R N -0.090 120.501 120.500 0.152 0.000 2.062 309 R HA -0.133 4.207 4.340 -0.000 0.000 0.231 309 R C 2.083 178.596 176.300 0.354 0.000 1.136 309 R CA 1.465 57.701 56.100 0.226 0.000 0.948 309 R CB -0.241 30.172 30.300 0.187 0.000 0.845 309 R HN 0.272 nan 8.270 nan 0.000 0.430 310 W N 1.097 122.435 121.300 0.063 0.000 2.350 310 W HA -0.107 4.553 4.660 -0.000 0.000 0.289 310 W C 1.893 178.437 176.519 0.043 0.000 1.215 310 W CA 0.782 58.157 57.345 0.050 0.000 1.236 310 W CB -0.639 28.844 29.460 0.039 0.000 1.130 310 W HN 0.113 nan 8.180 nan 0.000 0.541 311 L N -1.358 120.022 121.223 0.261 0.000 2.313 311 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 311 L C 2.070 178.933 176.870 -0.012 0.000 1.119 311 L CA 0.806 55.700 54.840 0.090 0.000 0.809 311 L CB -0.563 41.499 42.059 0.004 0.000 0.933 311 L HN 0.033 nan 8.230 nan 0.000 0.449 312 H N -1.396 117.730 119.070 0.093 0.000 2.586 312 H HA 0.220 4.776 4.556 -0.000 0.000 0.273 312 H C 0.230 175.583 175.328 0.042 0.000 0.997 312 H CA 0.280 56.360 56.048 0.053 0.000 1.177 312 H CB 0.994 30.785 29.762 0.049 0.000 1.471 312 H HN 0.170 nan 8.280 nan 0.000 0.538 313 M N 1.730 121.423 119.600 0.155 0.000 3.287 313 M HA 0.246 4.726 4.480 -0.000 0.000 0.336 313 M C -2.669 173.651 176.300 0.033 0.000 1.573 313 M CA -1.736 53.617 55.300 0.088 0.000 0.609 313 M CB 1.161 33.824 32.600 0.105 0.000 1.421 313 M HN -0.238 nan 8.290 nan 0.000 0.476 314 P HA 0.116 nan 4.420 nan 0.000 0.263 314 P C -0.492 176.796 177.300 -0.020 0.000 1.195 314 P CA 0.049 63.163 63.100 0.024 0.000 0.762 314 P CB 0.417 32.144 31.700 0.045 0.000 0.799 315 V N 2.231 122.129 119.914 -0.027 0.000 2.539 315 V HA 0.405 4.525 4.120 -0.000 0.000 0.292 315 V C 1.282 177.354 176.094 -0.036 0.000 1.045 315 V CA -0.618 61.645 62.300 -0.062 0.000 0.945 315 V CB 1.830 33.589 31.823 -0.106 0.000 0.993 315 V HN 0.390 nan 8.190 nan 0.000 0.464 316 R N 1.283 121.718 120.500 -0.108 0.000 2.276 316 R HA 0.124 4.464 4.340 -0.000 0.000 0.196 316 R C 0.014 176.245 176.300 -0.115 0.000 0.961 316 R CA 0.268 56.269 56.100 -0.165 0.000 1.024 316 R CB -0.008 30.159 30.300 -0.222 0.000 0.940 316 R HN 0.898 nan 8.270 nan 0.000 0.480 317 D N 1.979 122.313 120.400 -0.110 0.000 2.374 317 D HA -0.015 4.625 4.640 -0.000 0.000 0.240 317 D C 1.180 177.383 176.300 -0.161 0.000 1.229 317 D CA 0.029 53.955 54.000 -0.124 0.000 0.895 317 D CB 1.266 42.005 40.800 -0.102 0.000 1.046 317 D HN 0.115 nan 8.370 nan 0.000 0.498 318 T N 1.719 116.126 114.554 -0.245 0.000 2.881 318 T HA -0.197 4.153 4.350 -0.000 0.000 0.270 318 T C 1.886 176.478 174.700 -0.180 0.000 1.068 318 T CA 0.737 62.609 62.100 -0.381 0.000 1.131 318 T CB -0.109 68.428 68.868 -0.551 0.000 0.871 318 T HN 0.346 nan 8.240 nan 0.000 0.479 319 R N 0.456 120.886 120.500 -0.116 0.000 2.136 319 R HA -0.097 4.243 4.340 -0.000 0.000 0.242 319 R C 2.547 178.815 176.300 -0.055 0.000 1.131 319 R CA 1.865 57.926 56.100 -0.064 0.000 0.937 319 R CB -1.027 29.240 30.300 -0.055 0.000 0.863 319 R HN 0.296 nan 8.270 nan 0.000 0.435 320 V N 1.200 121.068 119.914 -0.077 0.000 2.427 320 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 320 V C 2.209 178.259 176.094 -0.074 0.000 1.051 320 V CA 1.563 63.813 62.300 -0.084 0.000 1.048 320 V CB -0.356 31.393 31.823 -0.124 0.000 0.666 320 V HN 0.278 nan 8.190 nan 0.000 0.456 321 L N -0.970 120.210 121.223 -0.072 0.000 1.994 321 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 321 L C 2.394 179.322 176.870 0.097 0.000 1.071 321 L CA 1.598 56.439 54.840 0.002 0.000 0.745 321 L CB -0.655 41.394 42.059 -0.016 0.000 0.892 321 L HN 0.245 nan 8.230 nan 0.000 0.431 322 L N -0.246 121.043 121.223 0.111 0.000 2.187 322 L HA -0.244 4.095 4.340 -0.000 0.000 0.213 322 L C 2.596 179.515 176.870 0.082 0.000 1.100 322 L CA 1.123 56.044 54.840 0.135 0.000 0.765 322 L CB -0.260 41.869 42.059 0.117 0.000 0.904 322 L HN 0.353 nan 8.230 nan 0.000 0.437 323 E N -0.275 119.951 120.200 0.043 0.000 2.072 323 E HA -0.208 4.141 4.350 -0.000 0.000 0.191 323 E C 2.315 178.940 176.600 0.043 0.000 0.985 323 E CA 0.876 57.294 56.400 0.030 0.000 0.801 323 E CB 0.173 29.875 29.700 0.003 0.000 0.750 323 E HN 0.345 nan 8.360 nan 0.000 0.452 324 R N 0.006 120.530 120.500 0.040 0.000 2.062 324 R HA -0.084 4.256 4.340 -0.000 0.000 0.229 324 R C 2.542 178.898 176.300 0.092 0.000 1.128 324 R CA 1.465 57.601 56.100 0.060 0.000 0.960 324 R CB -0.107 30.212 30.300 0.031 0.000 0.855 324 R HN 0.208 nan 8.270 nan 0.000 0.432 325 Q N 0.425 120.307 119.800 0.138 0.000 2.045 325 Q HA -0.282 4.058 4.340 -0.000 0.000 0.206 325 Q C 2.180 178.294 176.000 0.190 0.000 0.991 325 Q CA 1.884 57.828 55.803 0.235 0.000 0.851 325 Q CB -0.103 28.781 28.738 0.243 0.000 0.911 325 Q HN 0.449 nan 8.270 nan 0.000 0.418 326 Q N -0.638 119.240 119.800 0.129 0.000 2.119 326 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 326 Q C 2.120 178.158 176.000 0.063 0.000 0.972 326 Q CA 1.480 57.342 55.803 0.098 0.000 0.847 326 Q CB 0.018 28.799 28.738 0.072 0.000 0.903 326 Q HN 0.311 nan 8.270 nan 0.000 0.433 327 T N 0.974 115.556 114.554 0.048 0.000 2.746 327 T HA -0.098 4.251 4.350 -0.000 0.000 0.267 327 T C 1.784 176.485 174.700 0.001 0.000 1.039 327 T CA 0.945 63.059 62.100 0.024 0.000 1.142 327 T CB -0.132 68.759 68.868 0.037 0.000 0.866 327 T HN 0.195 nan 8.240 nan 0.000 0.444 328 I N 0.807 121.364 120.570 -0.023 0.000 2.315 328 I HA -0.073 4.097 4.170 -0.000 0.000 0.248 328 I C 2.781 178.812 176.117 -0.143 0.000 1.117 328 I CA 1.169 62.393 61.300 -0.126 0.000 1.404 328 I CB -0.497 37.339 38.000 -0.274 0.000 1.071 328 I HN 0.292 nan 8.210 nan 0.000 0.419 329 G N 0.261 109.036 108.800 -0.042 0.000 2.422 329 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 329 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 329 G C 1.821 176.745 174.900 0.040 0.000 1.140 329 G CA 0.748 45.884 45.100 0.060 0.000 0.775 329 G HN 0.478 nan 8.290 nan 0.000 0.545 330 A N 0.468 123.310 122.820 0.037 0.000 1.930 330 A HA 0.262 4.582 4.320 -0.000 0.000 0.215 330 A C 2.159 179.800 177.584 0.094 0.000 1.176 330 A CA 0.679 52.747 52.037 0.053 0.000 0.632 330 A CB -0.234 18.774 19.000 0.014 0.000 0.819 330 A HN 0.317 nan 8.150 nan 0.000 0.445 331 L N 0.482 121.732 121.223 0.045 0.000 2.591 331 L HA -0.060 4.280 4.340 -0.000 0.000 0.228 331 L C 2.553 179.483 176.870 0.099 0.000 1.133 331 L CA 0.668 55.563 54.840 0.092 0.000 0.880 331 L CB -0.322 41.742 42.059 0.008 0.000 1.033 331 L HN 0.687 nan 8.230 nan 0.000 0.450 332 Q N 0.087 119.882 119.800 -0.007 0.000 2.079 332 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 332 Q C 1.107 176.960 176.000 -0.246 0.000 0.974 332 Q CA 1.885 57.576 55.803 -0.187 0.000 0.840 332 Q CB -0.151 28.384 28.738 -0.338 0.000 0.898 332 Q HN 0.308 nan 8.270 nan 0.000 0.430 333 D N 0.369 120.655 120.400 -0.191 0.000 2.144 333 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 333 D C 0.861 176.979 176.300 -0.303 0.000 0.984 333 D CA 0.995 54.808 54.000 -0.311 0.000 0.834 333 D CB -0.156 40.388 40.800 -0.428 0.000 0.955 333 D HN 0.335 nan 8.370 nan 0.000 0.465 334 F N -0.205 119.690 119.950 -0.091 0.000 2.731 334 F HA 0.142 4.669 4.527 -0.000 0.000 0.304 334 F C 2.182 177.954 175.800 -0.047 0.000 1.133 334 F CA 0.182 58.149 58.000 -0.056 0.000 1.380 334 F CB -0.049 38.925 39.000 -0.043 0.000 1.079 334 F HN -0.188 nan 8.300 nan 0.000 0.550 335 T N -0.243 114.351 114.554 0.067 0.000 2.809 335 T HA -0.078 4.272 4.350 -0.000 0.000 0.260 335 T C 2.371 177.091 174.700 0.033 0.000 1.039 335 T CA 1.344 63.470 62.100 0.044 0.000 1.141 335 T CB -0.153 68.722 68.868 0.012 0.000 0.869 335 T HN 0.312 nan 8.240 nan 0.000 0.437 336 A N 0.999 123.829 122.820 0.016 0.000 1.933 336 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 336 A C 2.530 180.126 177.584 0.020 0.000 1.175 336 A CA 1.948 53.993 52.037 0.013 0.000 0.628 336 A CB -1.278 17.724 19.000 0.002 0.000 0.814 336 A HN 0.524 nan 8.150 nan 0.000 0.444 337 G N -0.683 108.134 108.800 0.029 0.000 2.422 337 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.218 337 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.218 337 G C 1.324 176.258 174.900 0.057 0.000 1.146 337 G CA 1.186 46.314 45.100 0.047 0.000 0.769 337 G HN 0.356 nan 8.290 nan 0.000 0.547 338 L N -0.048 121.215 121.223 0.066 0.000 2.202 338 L HA 0.192 4.532 4.340 -0.000 0.000 0.205 338 L C 2.895 179.782 176.870 0.029 0.000 1.083 338 L CA 1.040 55.911 54.840 0.052 0.000 0.790 338 L CB -0.839 41.254 42.059 0.056 0.000 0.942 338 L HN 0.283 nan 8.230 nan 0.000 0.452 339 Q N -0.479 119.335 119.800 0.024 0.000 2.083 339 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 339 Q C -0.430 175.578 176.000 0.013 0.000 0.969 339 Q CA 1.363 57.174 55.803 0.014 0.000 0.838 339 Q CB -0.909 27.835 28.738 0.010 0.000 0.900 339 Q HN 0.376 nan 8.270 nan 0.000 0.436 340 P HA -0.149 nan 4.420 nan 0.000 0.216 340 P C 1.394 178.705 177.300 0.018 0.000 1.150 340 P CA 1.142 64.252 63.100 0.017 0.000 0.837 340 P CB 0.018 31.729 31.700 0.018 0.000 0.786 341 V N -0.775 119.148 119.914 0.015 0.000 2.358 341 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 341 V C 2.453 178.550 176.094 0.005 0.000 1.047 341 V CA 1.444 63.748 62.300 0.007 0.000 1.035 341 V CB -1.143 30.684 31.823 0.008 0.000 0.658 341 V HN 0.065 nan 8.190 nan 0.000 0.452 342 L N -0.215 121.012 121.223 0.008 0.000 2.131 342 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 342 L C 2.733 179.606 176.870 0.005 0.000 1.092 342 L CA 1.608 56.450 54.840 0.004 0.000 0.759 342 L CB -0.406 41.653 42.059 -0.000 0.000 0.903 342 L HN 0.280 nan 8.230 nan 0.000 0.435 343 R N -0.602 119.904 120.500 0.010 0.000 2.120 343 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 343 R C 2.201 178.521 176.300 0.033 0.000 1.123 343 R CA 1.131 57.240 56.100 0.014 0.000 0.975 343 R CB 0.058 30.367 30.300 0.015 0.000 0.866 343 R HN 0.329 nan 8.270 nan 0.000 0.446 344 Q N 0.004 119.835 119.800 0.051 0.000 2.167 344 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 344 Q C 2.158 178.224 176.000 0.111 0.000 0.970 344 Q CA 0.947 56.821 55.803 0.118 0.000 0.855 344 Q CB -0.300 28.488 28.738 0.083 0.000 0.911 344 Q HN 0.227 nan 8.270 nan 0.000 0.438 345 V N 0.095 120.027 119.914 0.030 0.000 2.332 345 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 345 V C 1.348 177.442 176.094 -0.001 0.000 1.055 345 V CA 1.734 64.036 62.300 0.002 0.000 1.038 345 V CB -1.031 30.786 31.823 -0.010 0.000 0.651 345 V HN 0.624 nan 8.190 nan 0.000 0.450 346 G N -0.111 108.690 108.800 0.002 0.000 2.645 346 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 346 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 346 G C -0.189 174.693 174.900 -0.030 0.000 1.331 346 G CA 0.159 45.251 45.100 -0.013 0.000 0.890 346 G HN 0.384 nan 8.290 nan 0.000 0.572 347 D N 0.522 120.901 120.400 -0.035 0.000 2.688 347 D HA 0.287 4.926 4.640 -0.000 0.000 0.228 347 D C 1.778 178.050 176.300 -0.047 0.000 1.116 347 D CA -0.332 53.645 54.000 -0.038 0.000 1.023 347 D CB 0.223 41.002 40.800 -0.035 0.000 1.100 347 D HN 0.408 nan 8.370 nan 0.000 0.487 348 L N 2.091 123.281 121.223 -0.055 0.000 2.201 348 L HA -0.048 4.292 4.340 -0.000 0.000 0.212 348 L C 1.929 178.769 176.870 -0.050 0.000 1.105 348 L CA 1.526 56.323 54.840 -0.073 0.000 0.775 348 L CB -0.203 41.805 42.059 -0.084 0.000 0.913 348 L HN 0.308 nan 8.230 nan 0.000 0.440 349 E N -0.467 119.714 120.200 -0.032 0.000 2.012 349 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 349 E C 2.252 178.846 176.600 -0.011 0.000 1.007 349 E CA 1.676 58.067 56.400 -0.016 0.000 0.816 349 E CB -0.081 29.611 29.700 -0.014 0.000 0.762 349 E HN 0.441 nan 8.360 nan 0.000 0.451 350 R N -0.020 120.468 120.500 -0.019 0.000 2.148 350 R HA -0.053 4.287 4.340 -0.000 0.000 0.227 350 R C 2.491 178.774 176.300 -0.028 0.000 1.103 350 R CA 0.944 57.034 56.100 -0.016 0.000 0.983 350 R CB -0.257 30.031 30.300 -0.021 0.000 0.874 350 R HN 0.351 nan 8.270 nan 0.000 0.451 351 I N 0.607 121.153 120.570 -0.040 0.000 2.226 351 I HA -0.271 3.898 4.170 -0.000 0.000 0.245 351 I C 1.928 178.009 176.117 -0.059 0.000 1.100 351 I CA 0.943 62.213 61.300 -0.050 0.000 1.374 351 I CB -0.158 37.801 38.000 -0.068 0.000 1.057 351 I HN 0.089 nan 8.210 nan 0.000 0.413 352 L N 0.653 121.845 121.223 -0.052 0.000 2.201 352 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 352 L C 2.617 179.450 176.870 -0.062 0.000 1.105 352 L CA 1.735 56.544 54.840 -0.051 0.000 0.775 352 L CB -1.403 40.641 42.059 -0.025 0.000 0.913 352 L HN 0.181 nan 8.230 nan 0.000 0.440 353 A N -0.797 122.003 122.820 -0.033 0.000 1.930 353 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 353 A C 2.404 179.874 177.584 -0.191 0.000 1.175 353 A CA 1.177 53.175 52.037 -0.065 0.000 0.627 353 A CB -0.352 18.676 19.000 0.047 0.000 0.815 353 A HN 0.358 nan 8.150 nan 0.000 0.443 354 R N -1.219 119.201 120.500 -0.133 0.000 2.236 354 R HA 0.052 4.392 4.340 -0.000 0.000 0.208 354 R C 1.899 178.056 176.300 -0.237 0.000 1.036 354 R CA 0.809 56.820 56.100 -0.149 0.000 1.001 354 R CB -0.290 29.965 30.300 -0.074 0.000 0.896 354 R HN 0.512 nan 8.270 nan 0.000 0.464 355 L N 0.459 121.534 121.223 -0.246 0.000 2.068 355 L HA 0.034 4.374 4.340 -0.000 0.000 0.204 355 L C 2.234 178.855 176.870 -0.415 0.000 1.076 355 L CA 1.672 56.287 54.840 -0.375 0.000 0.753 355 L CB -0.474 41.465 42.059 -0.200 0.000 0.910 355 L HN 0.043 nan 8.230 nan 0.000 0.439 356 A N -0.591 122.036 122.820 -0.322 0.000 1.908 356 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 356 A C 1.927 179.290 177.584 -0.369 0.000 1.181 356 A CA 1.831 53.660 52.037 -0.347 0.000 0.627 356 A CB -0.779 17.932 19.000 -0.482 0.000 0.818 356 A HN 0.409 nan 8.150 nan 0.000 0.445 357 L N -1.218 119.779 121.223 -0.377 0.000 2.591 357 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 357 L C 0.960 177.681 176.870 -0.249 0.000 1.133 357 L CA 0.683 55.353 54.840 -0.282 0.000 0.880 357 L CB -0.975 40.943 42.059 -0.236 0.000 1.033 357 L HN 0.428 nan 8.230 nan 0.000 0.450 358 R N -0.691 119.582 120.500 -0.377 0.000 3.525 358 R HA -0.181 4.159 4.340 -0.000 0.000 0.276 358 R C 0.567 176.737 176.300 -0.216 0.000 1.116 358 R CA 0.885 56.693 56.100 -0.488 0.000 0.745 358 R CB -2.534 27.603 30.300 -0.272 0.000 1.185 358 R HN 0.504 nan 8.270 nan 0.000 0.454 359 T N -3.776 110.677 114.554 -0.168 0.000 3.129 359 T HA 0.477 4.827 4.350 -0.000 0.000 0.267 359 T C 0.647 175.400 174.700 0.088 0.000 1.018 359 T CA 0.197 62.299 62.100 0.004 0.000 0.903 359 T CB 0.791 69.641 68.868 -0.030 0.000 1.067 359 T HN 0.423 nan 8.240 nan 0.000 0.549 360 A N 2.203 125.084 122.820 0.102 0.000 2.488 360 A HA 0.519 4.839 4.320 -0.000 0.000 0.249 360 A C 0.476 178.287 177.584 0.378 0.000 1.083 360 A CA -0.440 51.721 52.037 0.207 0.000 0.768 360 A CB 0.158 19.279 19.000 0.201 0.000 1.017 360 A HN 0.576 nan 8.150 nan 0.000 0.496 361 R N 2.761 123.398 120.500 0.228 0.000 2.573 361 R HA 0.316 4.656 4.340 -0.000 0.000 0.272 361 R C -1.931 174.486 176.300 0.195 0.000 1.009 361 R CA -1.865 54.349 56.100 0.190 0.000 1.059 361 R CB 0.271 30.614 30.300 0.071 0.000 1.112 361 R HN 0.384 nan 8.270 nan 0.000 0.517 362 P HA -0.223 nan 4.420 nan 0.000 0.218 362 P C 0.674 178.017 177.300 0.072 0.000 1.154 362 P CA 1.588 64.745 63.100 0.094 0.000 0.872 362 P CB 0.138 31.788 31.700 -0.083 0.000 0.790 363 R N -0.891 119.625 120.500 0.026 0.000 2.115 363 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 363 R C 1.782 178.087 176.300 0.007 0.000 1.111 363 R CA 1.168 57.270 56.100 0.003 0.000 0.976 363 R CB -0.802 29.487 30.300 -0.018 0.000 0.870 363 R HN 0.286 nan 8.270 nan 0.000 0.445 364 D N 1.066 121.488 120.400 0.036 0.000 2.097 364 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 364 D C 2.012 178.323 176.300 0.018 0.000 0.989 364 D CA 1.084 55.099 54.000 0.026 0.000 0.827 364 D CB -0.099 40.735 40.800 0.056 0.000 0.966 364 D HN 0.182 nan 8.370 nan 0.000 0.456 365 L N 0.613 121.880 121.223 0.072 0.000 2.141 365 L HA -0.107 4.232 4.340 -0.000 0.000 0.209 365 L C 2.507 179.373 176.870 -0.006 0.000 1.094 365 L CA 0.853 55.719 54.840 0.043 0.000 0.763 365 L CB -0.368 41.739 42.059 0.080 0.000 0.908 365 L HN -0.030 nan 8.230 nan 0.000 0.437 366 A N 0.133 122.956 122.820 0.005 0.000 1.969 366 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 366 A C 2.370 179.937 177.584 -0.030 0.000 1.169 366 A CA 1.034 53.066 52.037 -0.009 0.000 0.635 366 A CB -0.289 18.705 19.000 -0.010 0.000 0.810 366 A HN 0.332 nan 8.150 nan 0.000 0.445 367 R N -1.096 119.371 120.500 -0.055 0.000 2.119 367 R HA 0.047 4.387 4.340 -0.000 0.000 0.222 367 R C 2.240 178.458 176.300 -0.138 0.000 1.088 367 R CA 1.176 57.239 56.100 -0.061 0.000 0.984 367 R CB -0.517 29.741 30.300 -0.069 0.000 0.884 367 R HN 0.695 nan 8.270 nan 0.000 0.447 368 M N 1.284 120.745 119.600 -0.231 0.000 2.159 368 M HA -0.194 4.286 4.480 -0.000 0.000 0.263 368 M C 2.446 178.250 176.300 -0.828 0.000 1.063 368 M CA 1.665 56.647 55.300 -0.528 0.000 1.110 368 M CB -0.084 32.263 32.600 -0.421 0.000 1.374 368 M HN -0.028 nan 8.290 nan 0.000 0.411 369 R N -1.026 119.264 120.500 -0.350 0.000 2.075 369 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 369 R C 2.437 178.711 176.300 -0.044 0.000 1.126 369 R CA 1.772 57.804 56.100 -0.114 0.000 0.963 369 R CB -0.806 29.517 30.300 0.037 0.000 0.858 369 R HN 0.604 nan 8.270 nan 0.000 0.435 370 H N 0.034 119.026 119.070 -0.129 0.000 2.353 370 H HA -0.081 4.474 4.556 -0.000 0.000 0.300 370 H C 1.749 177.035 175.328 -0.071 0.000 1.090 370 H CA 1.736 57.742 56.048 -0.071 0.000 1.327 370 H CB 0.116 29.838 29.762 -0.067 0.000 1.383 370 H HN 0.422 nan 8.280 nan 0.000 0.508 371 A N 0.856 123.603 122.820 -0.122 0.000 1.902 371 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 371 A C 2.157 179.717 177.584 -0.041 0.000 1.181 371 A CA 1.352 53.305 52.037 -0.140 0.000 0.623 371 A CB -0.987 17.882 19.000 -0.218 0.000 0.818 371 A HN 0.337 nan 8.150 nan 0.000 0.443 372 F N 0.272 120.201 119.950 -0.035 0.000 2.161 372 F HA -0.189 4.338 4.527 -0.000 0.000 0.300 372 F C 2.586 178.377 175.800 -0.015 0.000 1.089 372 F CA 1.423 59.418 58.000 -0.007 0.000 1.282 372 F CB -1.138 37.865 39.000 0.004 0.000 1.010 372 F HN 0.343 nan 8.300 nan 0.000 0.485 373 Q N -0.448 119.423 119.800 0.118 0.000 2.291 373 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 373 Q C 1.979 177.962 176.000 -0.028 0.000 0.976 373 Q CA 0.920 56.734 55.803 0.017 0.000 0.875 373 Q CB -0.152 28.550 28.738 -0.060 0.000 0.927 373 Q HN 0.374 nan 8.270 nan 0.000 0.450 374 Q N 0.119 119.892 119.800 -0.045 0.000 2.245 374 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 374 Q C 1.998 178.008 176.000 0.018 0.000 0.955 374 Q CA 0.767 56.548 55.803 -0.035 0.000 0.870 374 Q CB -0.080 28.631 28.738 -0.045 0.000 0.945 374 Q HN 0.431 nan 8.270 nan 0.000 0.461 375 L N 0.809 122.069 121.223 0.063 0.000 2.046 375 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 375 L C -0.566 176.331 176.870 0.045 0.000 1.077 375 L CA 1.293 56.180 54.840 0.079 0.000 0.747 375 L CB -1.654 40.494 42.059 0.148 0.000 0.896 375 L HN 0.161 nan 8.230 nan 0.000 0.432 376 P HA -0.170 nan 4.420 nan 0.000 0.218 376 P C 1.307 178.615 177.300 0.013 0.000 1.149 376 P CA 1.091 64.201 63.100 0.017 0.000 0.817 376 P CB 0.163 31.871 31.700 0.013 0.000 0.785 377 E N -0.134 120.074 120.200 0.013 0.000 2.072 377 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 377 E C 1.902 178.512 176.600 0.016 0.000 0.982 377 E CA 0.962 57.369 56.400 0.013 0.000 0.803 377 E CB -1.145 28.559 29.700 0.007 0.000 0.755 377 E HN 0.092 nan 8.360 nan 0.000 0.453 378 L N -0.013 121.219 121.223 0.015 0.000 2.083 378 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 378 L C 2.696 179.567 176.870 0.002 0.000 1.083 378 L CA 1.307 56.154 54.840 0.012 0.000 0.752 378 L CB -0.321 41.748 42.059 0.017 0.000 0.899 378 L HN 0.096 nan 8.230 nan 0.000 0.433 379 R N -0.351 120.152 120.500 0.005 0.000 2.090 379 R HA -0.081 4.259 4.340 -0.000 0.000 0.228 379 R C 2.418 178.712 176.300 -0.011 0.000 1.110 379 R CA 1.127 57.223 56.100 -0.007 0.000 0.973 379 R CB -0.321 29.977 30.300 -0.004 0.000 0.869 379 R HN 0.342 nan 8.270 nan 0.000 0.440 380 A N 1.073 123.895 122.820 0.002 0.000 1.873 380 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 380 A C 2.026 179.623 177.584 0.021 0.000 1.186 380 A CA 1.160 53.204 52.037 0.011 0.000 0.616 380 A CB -0.367 18.643 19.000 0.018 0.000 0.823 380 A HN 0.298 nan 8.150 nan 0.000 0.442 381 Q N -0.568 119.251 119.800 0.031 0.000 2.079 381 Q HA -0.025 4.315 4.340 -0.000 0.000 0.200 381 Q C 1.919 177.902 176.000 -0.029 0.000 0.974 381 Q CA 1.282 57.129 55.803 0.073 0.000 0.840 381 Q CB -0.252 28.543 28.738 0.095 0.000 0.898 381 Q HN 0.652 nan 8.270 nan 0.000 0.430 382 L N 0.619 121.780 121.223 -0.103 0.000 2.478 382 L HA -0.080 4.260 4.340 -0.000 0.000 0.223 382 L C 2.295 179.044 176.870 -0.202 0.000 1.140 382 L CA 0.400 55.105 54.840 -0.225 0.000 0.842 382 L CB -0.283 41.691 42.059 -0.142 0.000 0.953 382 L HN 0.316 nan 8.230 nan 0.000 0.452 383 E N 0.547 120.683 120.200 -0.106 0.000 2.160 383 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 383 E C 1.454 178.013 176.600 -0.070 0.000 0.991 383 E CA 1.847 58.206 56.400 -0.068 0.000 0.810 383 E CB 0.198 29.882 29.700 -0.026 0.000 0.742 383 E HN 0.483 nan 8.360 nan 0.000 0.466 384 T N -0.640 113.872 114.554 -0.070 0.000 3.081 384 T HA 0.152 4.502 4.350 -0.000 0.000 0.250 384 T C 0.701 175.361 174.700 -0.066 0.000 1.100 384 T CA -0.200 61.895 62.100 -0.009 0.000 1.038 384 T CB 0.455 69.394 68.868 0.118 0.000 0.962 384 T HN -0.119 nan 8.240 nan 0.000 0.516 385 V N 3.755 123.490 119.914 -0.298 0.000 2.458 385 V HA 0.065 4.185 4.120 -0.000 0.000 0.287 385 V C 0.520 176.531 176.094 -0.137 0.000 1.009 385 V CA -0.419 61.664 62.300 -0.362 0.000 1.091 385 V CB 0.051 31.515 31.823 -0.599 0.000 0.960 385 V HN 0.372 nan 8.190 nan 0.000 0.476 386 D N 4.399 124.772 120.400 -0.045 0.000 2.498 386 D HA 0.227 4.867 4.640 -0.000 0.000 0.229 386 D C -0.103 176.187 176.300 -0.016 0.000 1.188 386 D CA 0.565 54.556 54.000 -0.014 0.000 1.028 386 D CB 0.180 40.992 40.800 0.019 0.000 1.087 386 D HN 0.501 nan 8.370 nan 0.000 0.510 387 S N 1.015 116.696 115.700 -0.033 0.000 2.543 387 S HA 0.566 5.036 4.470 -0.000 0.000 0.271 387 S C 0.731 175.319 174.600 -0.020 0.000 1.148 387 S CA -0.200 57.989 58.200 -0.018 0.000 0.914 387 S CB 1.337 64.526 63.200 -0.018 0.000 1.096 387 S HN 0.317 nan 8.310 nan 0.000 0.471 388 A N 4.968 127.784 122.820 -0.007 0.000 1.933 388 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 388 A C -0.624 176.957 177.584 -0.006 0.000 1.175 388 A CA 1.506 53.539 52.037 -0.007 0.000 0.628 388 A CB -1.274 17.726 19.000 -0.001 0.000 0.814 388 A HN 0.668 nan 8.150 nan 0.000 0.444 389 P HA 0.027 nan 4.420 nan 0.000 0.224 389 P C 1.526 178.828 177.300 0.002 0.000 1.157 389 P CA 0.680 63.785 63.100 0.007 0.000 0.799 389 P CB -0.064 31.647 31.700 0.018 0.000 0.809 390 V N 0.759 120.663 119.914 -0.016 0.000 2.307 390 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 390 V C 2.704 178.772 176.094 -0.044 0.000 1.045 390 V CA 1.734 64.011 62.300 -0.038 0.000 1.024 390 V CB -1.112 30.663 31.823 -0.081 0.000 0.651 390 V HN 0.093 nan 8.190 nan 0.000 0.449 391 Q N -0.164 119.609 119.800 -0.044 0.000 2.226 391 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 391 Q C 2.344 178.332 176.000 -0.021 0.000 0.975 391 Q CA 1.679 57.458 55.803 -0.039 0.000 0.866 391 Q CB -0.625 28.091 28.738 -0.036 0.000 0.915 391 Q HN 0.662 nan 8.270 nan 0.000 0.440 392 A N 0.558 123.372 122.820 -0.010 0.000 1.929 392 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 392 A C 2.188 179.778 177.584 0.010 0.000 1.176 392 A CA 0.758 52.796 52.037 0.001 0.000 0.628 392 A CB -0.505 18.499 19.000 0.007 0.000 0.816 392 A HN 0.300 nan 8.150 nan 0.000 0.444 393 L N -1.090 120.140 121.223 0.012 0.000 2.217 393 L HA -0.076 4.264 4.340 -0.000 0.000 0.211 393 L C 2.675 179.555 176.870 0.016 0.000 1.107 393 L CA 1.211 56.065 54.840 0.022 0.000 0.783 393 L CB -0.368 41.706 42.059 0.023 0.000 0.919 393 L HN 0.422 nan 8.230 nan 0.000 0.442 394 R N 0.342 120.840 120.500 -0.003 0.000 2.081 394 R HA -0.220 4.120 4.340 -0.000 0.000 0.235 394 R C 2.188 178.486 176.300 -0.003 0.000 1.131 394 R CA 1.740 57.834 56.100 -0.009 0.000 0.960 394 R CB 0.038 30.320 30.300 -0.030 0.000 0.856 394 R HN 0.230 nan 8.270 nan 0.000 0.436 395 E N 0.598 120.794 120.200 -0.006 0.000 2.047 395 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 395 E C 1.813 178.415 176.600 0.003 0.000 0.987 395 E CA 1.362 57.755 56.400 -0.012 0.000 0.799 395 E CB 0.038 29.729 29.700 -0.015 0.000 0.752 395 E HN 0.151 nan 8.360 nan 0.000 0.449 396 K N -0.203 120.212 120.400 0.024 0.000 2.211 396 K HA -0.164 4.156 4.320 -0.000 0.000 0.204 396 K C 2.113 178.767 176.600 0.091 0.000 1.047 396 K CA 1.250 57.569 56.287 0.052 0.000 0.935 396 K CB -0.126 32.407 32.500 0.054 0.000 0.728 396 K HN 0.249 nan 8.250 nan 0.000 0.452 397 M N -0.002 119.648 119.600 0.083 0.000 2.117 397 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 397 M C 0.799 177.230 176.300 0.220 0.000 1.065 397 M CA 1.658 57.035 55.300 0.128 0.000 1.114 397 M CB -0.327 32.323 32.600 0.082 0.000 1.361 397 M HN 0.396 nan 8.290 nan 0.000 0.408 398 G N 0.030 108.885 108.800 0.092 0.000 2.796 398 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.226 398 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.226 398 G C -0.099 174.803 174.900 0.004 0.000 1.381 398 G CA 0.236 45.292 45.100 -0.072 0.000 0.867 398 G HN 0.555 nan 8.290 nan 0.000 0.552 399 E N -2.178 117.912 120.200 -0.184 0.000 2.684 399 E HA 0.392 4.742 4.350 -0.000 0.000 0.204 399 E C 0.643 177.250 176.600 0.013 0.000 0.900 399 E CA 0.169 56.550 56.400 -0.031 0.000 1.481 399 E CB 0.268 29.905 29.700 -0.106 0.000 1.468 399 E HN 1.069 nan 8.360 nan 0.000 0.778 400 F N 0.215 120.025 119.950 -0.233 0.000 2.969 400 F HA -0.284 4.243 4.527 0.000 0.000 0.273 400 F C 0.970 176.511 175.800 -0.432 0.000 0.986 400 F CA 0.295 58.035 58.000 -0.434 0.000 0.926 400 F CB -1.669 36.873 39.000 -0.763 0.000 0.887 400 F HN 0.226 nan 8.300 nan 0.000 0.816 401 A N -0.403 122.325 122.820 -0.153 0.000 1.969 401 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 401 A C 2.156 179.680 177.584 -0.100 0.000 1.169 401 A CA 1.736 53.712 52.037 -0.101 0.000 0.635 401 A CB -0.205 18.751 19.000 -0.073 0.000 0.810 401 A HN 0.623 nan 8.150 nan 0.000 0.445 402 E N 0.072 120.197 120.200 -0.126 0.000 2.072 402 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 402 E C 1.893 178.438 176.600 -0.093 0.000 0.982 402 E CA 1.018 57.364 56.400 -0.089 0.000 0.803 402 E CB -0.310 29.334 29.700 -0.092 0.000 0.755 402 E HN 0.660 nan 8.360 nan 0.000 0.453 403 L N 0.708 121.814 121.223 -0.195 0.000 2.291 403 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 403 L C 2.734 179.566 176.870 -0.064 0.000 1.120 403 L CA 0.569 55.299 54.840 -0.183 0.000 0.799 403 L CB -0.415 41.408 42.059 -0.393 0.000 0.925 403 L HN 0.048 nan 8.230 nan 0.000 0.446 404 R N 0.731 121.168 120.500 -0.104 0.000 2.073 404 R HA -0.188 4.152 4.340 -0.000 0.000 0.229 404 R C 1.743 178.096 176.300 0.088 0.000 1.120 404 R CA 2.063 58.230 56.100 0.111 0.000 0.967 404 R CB -0.101 30.245 30.300 0.078 0.000 0.862 404 R HN 0.303 nan 8.270 nan 0.000 0.436 405 D N 0.118 120.540 120.400 0.037 0.000 2.162 405 D HA -0.145 4.495 4.640 -0.000 0.000 0.203 405 D C 1.987 178.321 176.300 0.056 0.000 0.967 405 D CA 0.514 54.540 54.000 0.043 0.000 0.840 405 D CB 0.038 40.855 40.800 0.029 0.000 0.972 405 D HN 0.155 nan 8.370 nan 0.000 0.482 406 L N 0.306 121.562 121.223 0.056 0.000 2.012 406 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 406 L C 1.872 178.757 176.870 0.024 0.000 1.073 406 L CA 1.752 56.635 54.840 0.072 0.000 0.748 406 L CB -0.571 41.531 42.059 0.072 0.000 0.891 406 L HN 0.190 nan 8.230 nan 0.000 0.431 407 L N -1.208 120.040 121.223 0.042 0.000 2.341 407 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 407 L C 2.406 179.276 176.870 -0.001 0.000 1.115 407 L CA 0.577 55.422 54.840 0.009 0.000 0.820 407 L CB -0.568 41.539 42.059 0.080 0.000 0.944 407 L HN 0.337 nan 8.230 nan 0.000 0.452 408 E N 0.636 120.857 120.200 0.035 0.000 2.077 408 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 408 E C 2.199 178.806 176.600 0.010 0.000 0.989 408 E CA 1.186 57.605 56.400 0.032 0.000 0.800 408 E CB 0.098 29.828 29.700 0.050 0.000 0.746 408 E HN 0.408 nan 8.360 nan 0.000 0.452 409 R N -0.606 119.900 120.500 0.009 0.000 2.246 409 R HA 0.136 4.476 4.340 -0.000 0.000 0.199 409 R C 1.830 178.061 176.300 -0.116 0.000 0.984 409 R CA 0.706 56.825 56.100 0.032 0.000 1.015 409 R CB 0.330 30.718 30.300 0.146 0.000 0.930 409 R HN 0.032 nan 8.270 nan 0.000 0.475 410 A N 0.435 123.049 122.820 -0.343 0.000 2.063 410 A HA 0.227 4.547 4.320 -0.000 0.000 0.211 410 A C 0.633 177.968 177.584 -0.415 0.000 1.177 410 A CA 0.390 51.912 52.037 -0.859 0.000 0.759 410 A CB 0.543 18.994 19.000 -0.916 0.000 0.857 410 A HN -0.015 nan 8.150 nan 0.000 0.468 411 I N 1.128 121.585 120.570 -0.189 0.000 2.646 411 I HA 0.345 4.515 4.170 -0.000 0.000 0.299 411 I C 0.180 176.270 176.117 -0.044 0.000 1.036 411 I CA -0.917 60.333 61.300 -0.084 0.000 1.074 411 I CB 1.573 39.552 38.000 -0.035 0.000 1.258 411 I HN 0.393 nan 8.210 nan 0.000 0.430 412 I N 0.747 121.301 120.570 -0.026 0.000 3.269 412 I HA 0.228 4.398 4.170 -0.000 0.000 0.287 412 I C 0.866 176.979 176.117 -0.006 0.000 1.152 412 I CA -0.038 61.255 61.300 -0.011 0.000 1.263 412 I CB 0.509 38.504 38.000 -0.009 0.000 1.439 412 I HN 0.421 nan 8.210 nan 0.000 0.637 413 D N 0.979 121.378 120.400 -0.001 0.000 2.097 413 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 413 D C 0.940 177.235 176.300 -0.009 0.000 0.989 413 D CA 2.329 56.330 54.000 0.002 0.000 0.827 413 D CB -0.198 40.605 40.800 0.006 0.000 0.966 413 D HN 0.842 nan 8.370 nan 0.000 0.456 414 T N -0.856 113.689 114.554 -0.015 0.000 3.141 414 T HA 0.428 4.778 4.350 -0.000 0.000 0.377 414 T C -2.832 171.853 174.700 -0.026 0.000 1.258 414 T CA -1.684 60.401 62.100 -0.025 0.000 1.263 414 T CB 1.836 70.687 68.868 -0.028 0.000 1.066 414 T HN -0.173 nan 8.240 nan 0.000 0.546 415 P HA 0.399 nan 4.420 nan 0.000 0.274 415 P C -2.675 174.600 177.300 -0.042 0.000 1.231 415 P CA -1.410 61.669 63.100 -0.035 0.000 0.790 415 P CB -0.082 31.598 31.700 -0.033 0.000 0.951 416 P HA -0.027 nan 4.420 nan 0.000 0.270 416 P C 1.392 178.659 177.300 -0.054 0.000 1.227 416 P CA -0.123 62.947 63.100 -0.050 0.000 0.788 416 P CB 0.267 31.933 31.700 -0.056 0.000 0.926 417 V N 0.668 120.556 119.914 -0.045 0.000 2.324 417 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 417 V C 1.259 177.323 176.094 -0.051 0.000 1.060 417 V CA 1.851 64.127 62.300 -0.040 0.000 1.042 417 V CB -0.676 31.127 31.823 -0.033 0.000 0.650 417 V HN 0.327 nan 8.190 nan 0.000 0.450 418 L N -1.698 119.484 121.223 -0.068 0.000 2.304 418 L HA 0.372 4.712 4.340 -0.000 0.000 0.268 418 L C 1.065 177.835 176.870 -0.166 0.000 1.010 418 L CA -0.538 54.247 54.840 -0.092 0.000 0.813 418 L CB 1.535 43.556 42.059 -0.062 0.000 1.315 418 L HN -0.068 nan 8.230 nan 0.000 0.445 419 V N -2.085 117.688 119.914 -0.235 0.000 3.235 419 V HA 0.029 4.149 4.120 -0.000 0.000 0.259 419 V C 2.251 178.237 176.094 -0.179 0.000 1.133 419 V CA 0.466 62.569 62.300 -0.327 0.000 1.128 419 V CB -0.826 30.689 31.823 -0.513 0.000 0.757 419 V HN 0.780 nan 8.190 nan 0.000 0.469 420 R N 1.481 121.913 120.500 -0.113 0.000 2.159 420 R HA -0.226 4.114 4.340 -0.000 0.000 0.249 420 R C 1.204 177.467 176.300 -0.061 0.000 1.136 420 R CA 2.450 58.510 56.100 -0.067 0.000 0.951 420 R CB -0.276 30.002 30.300 -0.038 0.000 0.876 420 R HN 0.661 nan 8.270 nan 0.000 0.440 421 D N -0.718 119.645 120.400 -0.061 0.000 2.525 421 D HA 0.167 4.807 4.640 -0.000 0.000 0.229 421 D C 0.927 177.194 176.300 -0.055 0.000 1.202 421 D CA 0.600 54.572 54.000 -0.048 0.000 0.828 421 D CB 0.558 41.338 40.800 -0.033 0.000 1.008 421 D HN 0.466 nan 8.370 nan 0.000 0.493 422 G N 1.585 110.339 108.800 -0.076 0.000 2.564 422 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.273 422 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.273 422 G C 0.948 175.808 174.900 -0.068 0.000 1.242 422 G CA 0.454 45.510 45.100 -0.074 0.000 0.951 422 G HN 0.903 nan 8.290 nan 0.000 0.564 423 G N -2.629 106.146 108.800 -0.043 0.000 2.168 423 G HA2 0.044 4.004 3.960 -0.000 0.000 0.257 423 G HA3 0.044 4.004 3.960 -0.000 0.000 0.257 423 G C 1.631 176.505 174.900 -0.042 0.000 0.997 423 G CA 2.059 47.139 45.100 -0.033 0.000 0.708 423 G HN 2.431 nan 8.290 nan 0.000 0.520 424 V N -1.079 118.800 119.914 -0.058 0.000 2.908 424 V HA 0.466 4.586 4.120 -0.000 0.000 0.240 424 V C 1.272 177.346 176.094 -0.033 0.000 1.117 424 V CA 0.483 62.744 62.300 -0.065 0.000 1.133 424 V CB 0.038 31.776 31.823 -0.142 0.000 0.857 424 V HN 0.227 nan 8.190 nan 0.000 0.478 425 I N 2.656 123.218 120.570 -0.014 0.000 2.588 425 I HA 0.454 4.624 4.170 -0.000 0.000 0.283 425 I C 1.015 177.139 176.117 0.011 0.000 1.119 425 I CA 0.425 61.722 61.300 -0.005 0.000 1.419 425 I CB 0.390 38.428 38.000 0.062 0.000 1.394 425 I HN 0.399 nan 8.210 nan 0.000 0.562 426 A N 5.096 127.907 122.820 -0.016 0.000 2.327 426 A HA 0.290 4.610 4.320 -0.000 0.000 0.255 426 A C 0.497 178.129 177.584 0.080 0.000 1.099 426 A CA -0.255 51.794 52.037 0.019 0.000 0.801 426 A CB 0.244 19.241 19.000 -0.005 0.000 1.062 426 A HN 0.694 nan 8.150 nan 0.000 0.496 427 S N -0.648 115.092 115.700 0.067 0.000 2.499 427 S HA 0.466 4.936 4.470 -0.000 0.000 0.275 427 S C 1.094 175.748 174.600 0.090 0.000 1.257 427 S CA 0.747 58.991 58.200 0.074 0.000 1.050 427 S CB -0.094 63.136 63.200 0.049 0.000 0.937 427 S HN 2.378 nan 8.310 nan 0.000 0.490 428 G N 3.904 112.762 108.800 0.097 0.000 2.141 428 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.242 428 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.242 428 G C 0.311 175.286 174.900 0.126 0.000 0.982 428 G CA 0.545 45.696 45.100 0.084 0.000 0.662 428 G HN 0.847 nan 8.290 nan 0.000 0.527 429 Y N 0.860 121.173 120.300 0.022 0.000 2.269 429 Y HA 0.294 4.844 4.550 -0.000 0.000 0.294 429 Y C 1.074 176.988 175.900 0.023 0.000 1.120 429 Y CA 1.253 59.368 58.100 0.024 0.000 1.159 429 Y CB 0.539 39.017 38.460 0.030 0.000 1.024 429 Y HN 0.278 nan 8.280 nan 0.000 0.532 430 N N 1.041 119.725 118.700 -0.027 0.000 2.617 430 N HA 0.028 4.768 4.740 -0.000 0.000 0.263 430 N C 0.447 175.941 175.510 -0.026 0.000 1.074 430 N CA 0.023 53.006 53.050 -0.112 0.000 0.841 430 N CB 0.854 39.303 38.487 -0.062 0.000 1.221 430 N HN 0.457 nan 8.380 nan 0.000 0.529 431 E N 1.792 121.963 120.200 -0.050 0.000 2.197 431 E HA -0.304 4.046 4.350 -0.000 0.000 0.205 431 E C 1.012 177.580 176.600 -0.053 0.000 1.029 431 E CA 1.708 58.082 56.400 -0.043 0.000 0.828 431 E CB 0.320 29.986 29.700 -0.057 0.000 0.737 431 E HN 0.755 nan 8.360 nan 0.000 0.464 432 E N 0.016 120.190 120.200 -0.044 0.000 2.028 432 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 432 E C 2.363 178.967 176.600 0.007 0.000 0.988 432 E CA 0.995 57.356 56.400 -0.065 0.000 0.799 432 E CB -0.238 29.467 29.700 0.009 0.000 0.755 432 E HN 0.251 nan 8.360 nan 0.000 0.447 433 L N 1.716 123.017 121.223 0.129 0.000 2.089 433 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 433 L C 1.454 178.413 176.870 0.148 0.000 1.079 433 L CA 2.245 57.209 54.840 0.206 0.000 0.758 433 L CB -0.463 41.696 42.059 0.167 0.000 0.891 433 L HN 0.152 nan 8.230 nan 0.000 0.433 434 D N -0.430 120.011 120.400 0.069 0.000 2.117 434 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 434 D C 2.062 178.369 176.300 0.011 0.000 0.982 434 D CA 1.592 55.618 54.000 0.043 0.000 0.828 434 D CB -0.150 40.661 40.800 0.019 0.000 0.967 434 D HN 0.577 nan 8.370 nan 0.000 0.464 435 E N -0.122 120.035 120.200 -0.072 0.000 2.058 435 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 435 E C 2.216 178.758 176.600 -0.097 0.000 0.997 435 E CA 0.902 57.204 56.400 -0.164 0.000 0.801 435 E CB -0.468 29.018 29.700 -0.356 0.000 0.746 435 E HN 0.449 nan 8.360 nan 0.000 0.450 436 W N 1.238 122.538 121.300 0.000 0.000 2.338 436 W HA -0.116 4.544 4.660 -0.000 0.000 0.304 436 W C 2.612 179.130 176.519 -0.000 0.000 1.212 436 W CA 0.514 57.858 57.345 -0.002 0.000 1.264 436 W CB -0.052 29.408 29.460 -0.001 0.000 1.142 436 W HN -0.034 nan 8.180 nan 0.000 0.512 437 R N -0.183 120.457 120.500 0.232 0.000 2.148 437 R HA -0.072 4.268 4.340 -0.000 0.000 0.227 437 R C 2.248 178.606 176.300 0.097 0.000 1.103 437 R CA 1.248 57.430 56.100 0.137 0.000 0.983 437 R CB -0.575 29.785 30.300 0.100 0.000 0.874 437 R HN 0.129 nan 8.270 nan 0.000 0.451 438 A N 0.702 123.570 122.820 0.079 0.000 2.021 438 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 438 A C 2.021 179.640 177.584 0.059 0.000 1.163 438 A CA 0.614 52.680 52.037 0.049 0.000 0.676 438 A CB -0.162 18.849 19.000 0.018 0.000 0.818 438 A HN 0.136 nan 8.150 nan 0.000 0.453 439 L N -0.921 120.354 121.223 0.087 0.000 2.109 439 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 439 L C 3.063 179.995 176.870 0.103 0.000 1.086 439 L CA 0.989 55.889 54.840 0.099 0.000 0.760 439 L CB -0.591 41.567 42.059 0.165 0.000 0.910 439 L HN 0.434 nan 8.230 nan 0.000 0.437 440 A N 0.101 122.991 122.820 0.116 0.000 1.855 440 A HA -0.218 4.102 4.320 -0.000 0.000 0.215 440 A C 1.923 179.547 177.584 0.067 0.000 1.191 440 A CA 1.848 53.934 52.037 0.082 0.000 0.613 440 A CB -0.578 18.465 19.000 0.072 0.000 0.829 440 A HN 0.301 nan 8.150 nan 0.000 0.442 441 D N -0.385 120.053 120.400 0.062 0.000 2.149 441 D HA -0.102 4.538 4.640 -0.000 0.000 0.198 441 D C 1.950 178.284 176.300 0.055 0.000 0.990 441 D CA 1.575 55.604 54.000 0.049 0.000 0.839 441 D CB -0.515 40.310 40.800 0.043 0.000 0.948 441 D HN 0.465 nan 8.370 nan 0.000 0.460 442 G N 0.025 108.866 108.800 0.068 0.000 2.494 442 G HA2 0.047 4.007 3.960 -0.000 0.000 0.216 442 G HA3 0.047 4.007 3.960 -0.000 0.000 0.216 442 G C 1.621 176.601 174.900 0.132 0.000 1.140 442 G CA 0.691 45.842 45.100 0.086 0.000 0.801 442 G HN 0.354 nan 8.290 nan 0.000 0.536 443 A N 0.663 123.559 122.820 0.128 0.000 1.968 443 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 443 A C 2.460 180.119 177.584 0.124 0.000 1.169 443 A CA 2.196 54.345 52.037 0.186 0.000 0.638 443 A CB -0.581 18.492 19.000 0.121 0.000 0.812 443 A HN 0.257 nan 8.150 nan 0.000 0.446 444 T N 0.033 114.625 114.554 0.063 0.000 2.942 444 T HA -0.062 4.288 4.350 -0.000 0.000 0.265 444 T C 1.176 175.884 174.700 0.013 0.000 1.062 444 T CA 1.227 63.337 62.100 0.017 0.000 1.139 444 T CB -0.251 68.637 68.868 0.034 0.000 0.883 444 T HN 0.403 nan 8.240 nan 0.000 0.468 445 D N 0.208 120.631 120.400 0.039 0.000 2.224 445 D HA -0.003 4.637 4.640 -0.000 0.000 0.205 445 D C 1.533 177.831 176.300 -0.003 0.000 0.965 445 D CA 0.538 54.548 54.000 0.016 0.000 0.852 445 D CB -0.247 40.569 40.800 0.027 0.000 0.947 445 D HN 0.401 nan 8.370 nan 0.000 0.494 446 Y N 1.213 121.453 120.300 -0.101 0.000 2.200 446 Y HA -0.075 4.475 4.550 -0.000 0.000 0.290 446 Y C 2.083 177.810 175.900 -0.289 0.000 1.137 446 Y CA 1.190 59.166 58.100 -0.207 0.000 1.163 446 Y CB -0.209 38.069 38.460 -0.303 0.000 0.988 446 Y HN -0.115 nan 8.280 nan 0.000 0.518 447 L N -0.253 120.930 121.223 -0.067 0.000 2.217 447 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 447 L C 2.259 179.042 176.870 -0.146 0.000 1.107 447 L CA 1.318 56.061 54.840 -0.162 0.000 0.783 447 L CB -0.391 41.490 42.059 -0.296 0.000 0.919 447 L HN 0.246 nan 8.230 nan 0.000 0.442 448 E N 0.028 120.162 120.200 -0.110 0.000 2.072 448 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 448 E C 2.309 178.836 176.600 -0.123 0.000 0.985 448 E CA 0.902 57.252 56.400 -0.084 0.000 0.801 448 E CB 0.098 29.767 29.700 -0.052 0.000 0.750 448 E HN 0.345 nan 8.360 nan 0.000 0.452 449 R N 0.404 120.791 120.500 -0.189 0.000 2.120 449 R HA -0.100 4.240 4.340 -0.000 0.000 0.234 449 R C 2.451 178.588 176.300 -0.273 0.000 1.123 449 R CA 0.711 56.666 56.100 -0.242 0.000 0.975 449 R CB -0.266 29.830 30.300 -0.339 0.000 0.866 449 R HN 0.193 nan 8.270 nan 0.000 0.446 450 L N 0.948 121.983 121.223 -0.314 0.000 2.046 450 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 450 L C 2.296 179.090 176.870 -0.127 0.000 1.077 450 L CA 1.629 56.325 54.840 -0.240 0.000 0.747 450 L CB -0.200 41.739 42.059 -0.200 0.000 0.896 450 L HN 0.228 nan 8.230 nan 0.000 0.432 451 E N -0.603 119.537 120.200 -0.101 0.000 2.033 451 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 451 E C 2.050 178.623 176.600 -0.045 0.000 1.011 451 E CA 2.229 58.599 56.400 -0.050 0.000 0.815 451 E CB -0.081 29.597 29.700 -0.037 0.000 0.755 451 E HN 0.414 nan 8.360 nan 0.000 0.451 452 V N 0.728 120.603 119.914 -0.065 0.000 2.759 452 V HA -0.191 3.929 4.120 -0.000 0.000 0.256 452 V C 2.412 178.469 176.094 -0.061 0.000 1.080 452 V CA 1.824 64.089 62.300 -0.057 0.000 1.101 452 V CB -0.524 31.261 31.823 -0.064 0.000 0.698 452 V HN 0.241 nan 8.190 nan 0.000 0.477 453 R N 0.175 120.624 120.500 -0.084 0.000 2.062 453 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 453 R C 2.258 178.536 176.300 -0.038 0.000 1.128 453 R CA 1.337 57.392 56.100 -0.076 0.000 0.960 453 R CB -0.075 30.156 30.300 -0.114 0.000 0.855 453 R HN 0.413 nan 8.270 nan 0.000 0.432 454 E N 0.268 120.457 120.200 -0.019 0.000 2.208 454 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 454 E C 2.031 178.637 176.600 0.011 0.000 0.988 454 E CA 0.869 57.286 56.400 0.028 0.000 0.828 454 E CB -0.041 29.709 29.700 0.083 0.000 0.763 454 E HN 0.319 nan 8.360 nan 0.000 0.478 455 R N 0.598 121.095 120.500 -0.004 0.000 2.090 455 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 455 R C 2.265 178.552 176.300 -0.022 0.000 1.110 455 R CA 0.866 56.960 56.100 -0.011 0.000 0.973 455 R CB 0.090 30.383 30.300 -0.011 0.000 0.869 455 R HN 0.021 nan 8.270 nan 0.000 0.440 456 E N 0.316 120.501 120.200 -0.026 0.000 2.158 456 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 456 E C 1.805 178.387 176.600 -0.030 0.000 0.982 456 E CA 0.867 57.250 56.400 -0.028 0.000 0.823 456 E CB 0.188 29.869 29.700 -0.031 0.000 0.766 456 E HN 0.178 nan 8.360 nan 0.000 0.468 457 R N -0.036 120.447 120.500 -0.029 0.000 2.055 457 R HA -0.075 4.265 4.340 -0.000 0.000 0.228 457 R C 2.492 178.763 176.300 -0.049 0.000 1.143 457 R CA 2.114 58.195 56.100 -0.032 0.000 0.945 457 R CB -0.398 29.889 30.300 -0.021 0.000 0.841 457 R HN 0.177 nan 8.270 nan 0.000 0.429 458 T N -2.863 111.653 114.554 -0.062 0.000 2.995 458 T HA 0.082 4.432 4.350 -0.000 0.000 0.269 458 T C 1.299 175.950 174.700 -0.082 0.000 1.091 458 T CA 0.696 62.736 62.100 -0.100 0.000 1.128 458 T CB -0.137 68.641 68.868 -0.149 0.000 0.891 458 T HN 0.489 nan 8.240 nan 0.000 0.492 459 G N 1.455 110.222 108.800 -0.056 0.000 2.246 459 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.273 459 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.273 459 G C -0.183 174.690 174.900 -0.046 0.000 1.055 459 G CA 0.244 45.317 45.100 -0.044 0.000 0.851 459 G HN 0.683 nan 8.290 nan 0.000 0.500 460 L N 0.783 121.978 121.223 -0.046 0.000 2.324 460 L HA 0.332 4.671 4.340 -0.000 0.000 0.274 460 L C 1.102 177.962 176.870 -0.016 0.000 1.012 460 L CA -0.617 54.197 54.840 -0.042 0.000 0.859 460 L CB 1.322 43.341 42.059 -0.068 0.000 1.224 460 L HN 0.262 nan 8.230 nan 0.000 0.429 461 D N -0.102 120.294 120.400 -0.008 0.000 2.350 461 D HA -0.165 4.475 4.640 -0.000 0.000 0.216 461 D C 1.438 177.746 176.300 0.014 0.000 0.968 461 D CA 1.220 55.221 54.000 0.002 0.000 0.894 461 D CB -0.044 40.757 40.800 0.002 0.000 0.909 461 D HN 0.575 nan 8.370 nan 0.000 0.520 462 T N -2.215 112.351 114.554 0.019 0.000 3.107 462 T HA 0.131 4.481 4.350 -0.000 0.000 0.249 462 T C 0.986 175.718 174.700 0.053 0.000 1.096 462 T CA -0.616 61.506 62.100 0.036 0.000 1.012 462 T CB -0.398 68.494 68.868 0.041 0.000 0.977 462 T HN 0.108 nan 8.240 nan 0.000 0.527 463 L N 2.586 123.837 121.223 0.047 0.000 2.490 463 L HA 0.315 4.655 4.340 -0.000 0.000 0.274 463 L C -0.046 176.864 176.870 0.067 0.000 1.201 463 L CA 0.239 55.121 54.840 0.070 0.000 0.869 463 L CB 0.254 42.347 42.059 0.057 0.000 1.123 463 L HN 0.467 nan 8.230 nan 0.000 0.484 464 K N 2.716 123.171 120.400 0.091 0.000 2.568 464 K HA 0.553 4.873 4.320 -0.000 0.000 0.273 464 K C -1.831 174.813 176.600 0.073 0.000 0.951 464 K CA -1.056 55.274 56.287 0.071 0.000 0.854 464 K CB 1.560 34.103 32.500 0.073 0.000 1.424 464 K HN 0.175 nan 8.250 nan 0.000 0.427 465 V N 1.699 121.631 119.914 0.029 0.000 2.364 465 V HA 0.576 4.696 4.120 -0.000 0.000 0.272 465 V C 0.493 176.538 176.094 -0.081 0.000 1.036 465 V CA -0.119 62.174 62.300 -0.012 0.000 0.880 465 V CB 0.772 32.602 31.823 0.011 0.000 0.991 465 V HN 0.897 nan 8.190 nan 0.000 0.460 466 G N 2.876 111.428 108.800 -0.413 0.000 2.597 466 G HA2 0.759 4.719 3.960 -0.000 0.000 0.317 466 G HA3 0.759 4.719 3.960 -0.000 0.000 0.317 466 G C -1.627 172.791 174.900 -0.802 0.000 1.230 466 G CA -0.566 44.191 45.100 -0.571 0.000 0.996 466 G HN 0.531 nan 8.290 nan 0.000 0.490 467 F N 0.297 119.915 119.950 -0.553 0.000 2.588 467 F HA 0.677 5.204 4.527 -0.000 0.000 0.310 467 F C -0.899 174.860 175.800 -0.069 0.000 1.082 467 F CA -0.939 56.777 58.000 -0.474 0.000 0.929 467 F CB 2.667 41.240 39.000 -0.712 0.000 1.254 467 F HN 0.623 nan 8.300 nan 0.000 0.455 468 N N 3.050 121.139 118.700 -1.019 0.000 2.647 468 N HA 0.428 5.168 4.740 -0.000 0.000 0.259 468 N C -0.563 174.489 175.510 -0.763 0.000 1.098 468 N CA 0.100 52.844 53.050 -0.510 0.000 0.984 468 N CB 1.654 40.137 38.487 -0.007 0.000 1.683 468 N HN 0.743 nan 8.380 nan 0.000 0.501 469 A N 1.798 124.370 122.820 -0.413 0.000 1.933 469 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 469 A C 1.691 179.141 177.584 -0.223 0.000 1.175 469 A CA 2.031 53.908 52.037 -0.267 0.000 0.628 469 A CB -0.733 18.208 19.000 -0.099 0.000 0.814 469 A HN 0.520 nan 8.150 nan 0.000 0.444 470 V N -0.843 118.942 119.914 -0.215 0.000 2.490 470 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 470 V C 1.984 177.846 176.094 -0.385 0.000 1.061 470 V CA 2.030 64.163 62.300 -0.277 0.000 1.064 470 V CB -0.783 30.867 31.823 -0.288 0.000 0.670 470 V HN 0.701 nan 8.190 nan 0.000 0.461 471 H N -1.677 117.297 119.070 -0.160 0.000 3.233 471 H HA 0.375 4.931 4.556 -0.000 0.000 0.263 471 H C 1.327 176.618 175.328 -0.063 0.000 1.168 471 H CA 0.635 56.627 56.048 -0.094 0.000 1.159 471 H CB 0.856 30.565 29.762 -0.089 0.000 1.593 471 H HN 0.457 nan 8.280 nan 0.000 0.580 472 G N 1.052 109.775 108.800 -0.128 0.000 2.575 472 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.267 472 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.267 472 G C -0.283 174.540 174.900 -0.128 0.000 1.264 472 G CA 0.004 45.017 45.100 -0.146 0.000 0.935 472 G HN 0.332 nan 8.290 nan 0.000 0.568 473 Y N 0.586 121.034 120.300 0.247 0.000 2.426 473 Y HA 0.493 5.042 4.550 -0.000 0.000 0.344 473 Y C 0.882 176.861 175.900 0.131 0.000 1.256 473 Y CA 1.463 59.666 58.100 0.171 0.000 1.451 473 Y CB 0.733 39.302 38.460 0.181 0.000 1.342 473 Y HN 0.811 nan 8.280 nan 0.000 0.600 474 Y N -1.126 119.319 120.300 0.242 0.000 2.521 474 Y HA 0.582 5.132 4.550 -0.000 0.000 0.328 474 Y C -1.648 174.317 175.900 0.107 0.000 1.151 474 Y CA -1.943 56.222 58.100 0.108 0.000 1.054 474 Y CB 0.160 38.623 38.460 0.005 0.000 1.338 474 Y HN 0.357 nan 8.280 nan 0.000 0.453 475 I N 3.217 123.923 120.570 0.226 0.000 2.472 475 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 475 I C -0.202 176.147 176.117 0.387 0.000 1.016 475 I CA -0.231 61.187 61.300 0.196 0.000 1.348 475 I CB 1.473 39.476 38.000 0.004 0.000 1.417 475 I HN 0.702 nan 8.210 nan 0.000 0.521 476 Q N 6.516 126.522 119.800 0.344 0.000 2.320 476 Q HA 0.433 4.772 4.340 -0.000 0.000 0.268 476 Q C -1.257 174.897 176.000 0.257 0.000 1.023 476 Q CA -0.701 55.303 55.803 0.335 0.000 0.744 476 Q CB 1.126 30.057 28.738 0.322 0.000 1.246 476 Q HN 0.467 nan 8.270 nan 0.000 0.462 477 I N 1.862 122.614 120.570 0.303 0.000 2.612 477 I HA 0.250 4.420 4.170 -0.000 0.000 0.295 477 I C 0.887 177.099 176.117 0.159 0.000 1.011 477 I CA -0.265 61.150 61.300 0.191 0.000 1.326 477 I CB 1.185 39.279 38.000 0.157 0.000 1.427 477 I HN 0.649 nan 8.210 nan 0.000 0.537 478 S N 4.809 120.568 115.700 0.099 0.000 2.632 478 S HA 0.222 4.692 4.470 -0.000 0.000 0.267 478 S C 1.214 175.863 174.600 0.082 0.000 1.276 478 S CA -0.337 57.911 58.200 0.079 0.000 0.998 478 S CB 1.399 64.633 63.200 0.058 0.000 0.953 478 S HN 0.693 nan 8.310 nan 0.000 0.547 479 R N 1.186 121.728 120.500 0.069 0.000 2.081 479 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 479 R C 2.288 178.647 176.300 0.097 0.000 1.131 479 R CA 1.710 57.855 56.100 0.074 0.000 0.960 479 R CB -1.395 28.935 30.300 0.049 0.000 0.856 479 R HN 0.905 nan 8.270 nan 0.000 0.436 480 G N 0.489 109.339 108.800 0.084 0.000 2.469 480 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 480 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 480 G C 1.146 176.138 174.900 0.154 0.000 1.150 480 G CA 0.686 45.849 45.100 0.105 0.000 0.763 480 G HN 0.466 nan 8.290 nan 0.000 0.561 481 Q N 0.465 120.308 119.800 0.072 0.000 2.360 481 Q HA 0.074 4.414 4.340 -0.000 0.000 0.202 481 Q C 2.650 178.571 176.000 -0.132 0.000 0.915 481 Q CA 0.639 56.416 55.803 -0.044 0.000 0.943 481 Q CB 0.320 29.029 28.738 -0.048 0.000 1.064 481 Q HN 0.621 nan 8.270 nan 0.000 0.511 482 S N 1.287 117.003 115.700 0.027 0.000 2.399 482 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 482 S C 1.947 176.564 174.600 0.027 0.000 1.022 482 S CA 1.264 59.511 58.200 0.078 0.000 0.983 482 S CB -0.714 62.594 63.200 0.179 0.000 0.803 482 S HN 0.603 nan 8.310 nan 0.000 0.480 483 H N 1.873 120.966 119.070 0.038 0.000 2.489 483 H HA 0.072 4.628 4.556 -0.000 0.000 0.295 483 H C 1.251 176.567 175.328 -0.021 0.000 1.082 483 H CA 1.030 57.088 56.048 0.018 0.000 1.295 483 H CB -0.589 29.179 29.762 0.010 0.000 1.380 483 H HN 0.462 nan 8.280 nan 0.000 0.548 484 L N 1.609 122.474 121.223 -0.597 0.000 2.851 484 L HA 0.396 4.736 4.340 -0.000 0.000 0.237 484 L C 0.862 177.523 176.870 -0.349 0.000 1.257 484 L CA -0.329 54.260 54.840 -0.417 0.000 1.061 484 L CB 0.047 41.824 42.059 -0.471 0.000 1.372 484 L HN 0.172 nan 8.230 nan 0.000 0.493 485 A N 0.604 123.223 122.820 -0.336 0.000 2.440 485 A HA 0.488 4.808 4.320 -0.000 0.000 0.251 485 A C -2.116 175.148 177.584 -0.533 0.000 1.089 485 A CA -1.052 50.639 52.037 -0.576 0.000 0.779 485 A CB -0.254 18.392 19.000 -0.591 0.000 1.022 485 A HN 0.048 nan 8.150 nan 0.000 0.492 486 P HA 0.043 nan 4.420 nan 0.000 0.266 486 P C 0.551 177.703 177.300 -0.248 0.000 1.195 486 P CA -0.097 62.725 63.100 -0.464 0.000 0.768 486 P CB 0.190 31.581 31.700 -0.516 0.000 0.838 487 I N 0.073 120.591 120.570 -0.087 0.000 3.550 487 I HA -0.020 4.150 4.170 -0.000 0.000 0.295 487 I C 1.248 177.408 176.117 0.070 0.000 1.291 487 I CA 0.559 61.862 61.300 0.005 0.000 1.298 487 I CB -1.747 36.257 38.000 0.008 0.000 1.026 487 I HN 0.271 nan 8.210 nan 0.000 0.491 488 N N 0.223 118.989 118.700 0.110 0.000 2.424 488 N HA -0.131 4.609 4.740 -0.000 0.000 0.178 488 N C 0.040 175.699 175.510 0.248 0.000 1.060 488 N CA 0.070 53.217 53.050 0.161 0.000 0.901 488 N CB -0.325 38.250 38.487 0.147 0.000 0.979 488 N HN 0.304 nan 8.380 nan 0.000 0.451 489 Y N 2.250 122.552 120.300 0.003 0.000 2.697 489 Y HA 0.132 4.682 4.550 -0.000 0.000 0.349 489 Y C 0.921 176.945 175.900 0.207 0.000 1.120 489 Y CA -0.466 57.660 58.100 0.044 0.000 1.468 489 Y CB 0.085 38.403 38.460 -0.237 0.000 1.182 489 Y HN -0.025 nan 8.280 nan 0.000 0.525 490 M N 4.310 124.073 119.600 0.272 0.000 2.188 490 M HA 0.178 4.658 4.480 -0.000 0.000 0.354 490 M C 0.472 176.905 176.300 0.222 0.000 1.342 490 M CA 0.153 55.579 55.300 0.210 0.000 1.117 490 M CB 0.293 32.964 32.600 0.118 0.000 1.670 490 M HN 0.534 nan 8.290 nan 0.000 0.466 491 R N 1.648 122.222 120.500 0.123 0.000 2.490 491 R HA 0.262 4.602 4.340 -0.000 0.000 0.278 491 R C 0.862 177.087 176.300 -0.125 0.000 1.069 491 R CA -0.158 55.865 56.100 -0.129 0.000 1.080 491 R CB 1.084 31.302 30.300 -0.136 0.000 1.030 491 R HN 0.539 nan 8.270 nan 0.000 0.491 492 R N 0.535 120.892 120.500 -0.237 0.000 2.551 492 R HA 0.144 4.484 4.340 -0.000 0.000 0.202 492 R C -0.351 175.811 176.300 -0.230 0.000 0.861 492 R CA 0.353 56.342 56.100 -0.185 0.000 1.018 492 R CB 0.602 30.758 30.300 -0.242 0.000 1.435 492 R HN 0.570 nan 8.270 nan 0.000 0.659 493 Q N 0.530 120.110 119.800 -0.367 0.000 2.268 493 Q HA 0.314 4.653 4.340 -0.000 0.000 0.266 493 Q C -1.507 174.334 176.000 -0.265 0.000 1.006 493 Q CA -0.096 55.528 55.803 -0.299 0.000 0.824 493 Q CB 2.454 30.919 28.738 -0.455 0.000 1.306 493 Q HN -0.098 nan 8.270 nan 0.000 0.424 494 T N 4.599 119.053 114.554 -0.167 0.000 2.743 494 T HA 0.407 4.757 4.350 -0.000 0.000 0.292 494 T C 0.314 174.953 174.700 -0.102 0.000 0.972 494 T CA -0.324 61.695 62.100 -0.134 0.000 0.967 494 T CB 0.240 69.052 68.868 -0.093 0.000 0.926 494 T HN 0.388 nan 8.240 nan 0.000 0.459 495 L N 2.559 123.723 121.223 -0.100 0.000 2.567 495 L HA 0.411 4.751 4.340 -0.000 0.000 0.238 495 L C 2.100 178.946 176.870 -0.040 0.000 1.168 495 L CA -0.581 54.219 54.840 -0.068 0.000 0.817 495 L CB 0.363 42.382 42.059 -0.067 0.000 1.409 495 L HN 0.601 nan 8.230 nan 0.000 0.502 496 K N 0.316 120.701 120.400 -0.026 0.000 2.031 496 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 496 K C 0.833 177.430 176.600 -0.005 0.000 1.049 496 K CA 1.447 57.725 56.287 -0.014 0.000 0.939 496 K CB 0.139 32.633 32.500 -0.009 0.000 0.717 496 K HN 0.436 nan 8.250 nan 0.000 0.438 497 N N -0.131 118.569 118.700 -0.000 0.000 2.480 497 N HA 0.264 5.004 4.740 -0.000 0.000 0.281 497 N C -1.822 173.700 175.510 0.020 0.000 1.381 497 N CA -0.081 52.977 53.050 0.012 0.000 0.903 497 N CB 1.372 39.868 38.487 0.015 0.000 1.274 497 N HN 0.283 nan 8.380 nan 0.000 0.505 498 A N -0.575 122.252 122.820 0.011 0.000 2.567 498 A HA 0.626 4.946 4.320 -0.000 0.000 0.291 498 A C -1.604 175.973 177.584 -0.012 0.000 1.048 498 A CA -0.712 51.337 52.037 0.021 0.000 0.661 498 A CB 1.150 20.162 19.000 0.021 0.000 1.288 498 A HN 0.063 nan 8.150 nan 0.000 0.424 499 E N 0.725 120.930 120.200 0.009 0.000 2.317 499 E HA 0.564 4.914 4.350 -0.000 0.000 0.270 499 E C -1.080 175.435 176.600 -0.141 0.000 0.885 499 E CA -0.804 55.525 56.400 -0.120 0.000 0.760 499 E CB 2.186 31.811 29.700 -0.125 0.000 1.227 499 E HN 0.601 nan 8.360 nan 0.000 0.434 500 R N 1.827 122.094 120.500 -0.388 0.000 2.599 500 R HA 0.573 4.913 4.340 -0.000 0.000 0.295 500 R C -0.869 175.182 176.300 -0.415 0.000 0.963 500 R CA -0.779 55.151 56.100 -0.284 0.000 0.883 500 R CB 1.195 31.186 30.300 -0.515 0.000 1.171 500 R HN 0.483 nan 8.270 nan 0.000 0.450 501 Y N 1.668 121.971 120.300 0.005 0.000 2.512 501 Y HA 0.511 5.061 4.550 -0.000 0.000 0.348 501 Y C 0.535 176.417 175.900 -0.030 0.000 0.990 501 Y CA -1.242 56.855 58.100 -0.005 0.000 1.033 501 Y CB 1.814 40.301 38.460 0.046 0.000 1.259 501 Y HN 0.508 nan 8.280 nan 0.000 0.461 502 I N 2.436 123.076 120.570 0.117 0.000 2.750 502 I HA 0.859 5.029 4.170 -0.000 0.000 0.308 502 I C -0.805 175.312 176.117 0.001 0.000 1.016 502 I CA -1.089 60.251 61.300 0.068 0.000 1.098 502 I CB 2.165 40.222 38.000 0.096 0.000 1.279 502 I HN 0.678 nan 8.210 nan 0.000 0.454 503 I N 0.479 121.031 120.570 -0.030 0.000 2.969 503 I HA 0.581 4.751 4.170 -0.000 0.000 0.307 503 I C -2.408 173.724 176.117 0.026 0.000 1.149 503 I CA -2.253 59.031 61.300 -0.026 0.000 1.008 503 I CB 1.751 39.686 38.000 -0.109 0.000 1.232 503 I HN 0.268 nan 8.210 nan 0.000 0.435 504 P HA -0.229 nan 4.420 nan 0.000 0.215 504 P C 1.372 178.713 177.300 0.069 0.000 1.163 504 P CA 1.674 64.805 63.100 0.052 0.000 0.894 504 P CB 0.185 31.914 31.700 0.048 0.000 0.791 505 E N -0.880 119.367 120.200 0.077 0.000 2.070 505 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 505 E C 1.950 178.644 176.600 0.156 0.000 1.004 505 E CA 1.010 57.486 56.400 0.128 0.000 0.805 505 E CB -0.630 29.134 29.700 0.106 0.000 0.744 505 E HN 0.000 nan 8.360 nan 0.000 0.451 506 L N 0.965 122.237 121.223 0.082 0.000 2.012 506 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 506 L C 2.141 179.087 176.870 0.127 0.000 1.073 506 L CA 1.731 56.614 54.840 0.073 0.000 0.748 506 L CB -0.170 41.918 42.059 0.049 0.000 0.891 506 L HN -0.003 nan 8.230 nan 0.000 0.431 507 K N -0.443 120.031 120.400 0.123 0.000 2.288 507 K HA -0.154 4.166 4.320 -0.000 0.000 0.201 507 K C 1.886 178.543 176.600 0.094 0.000 1.048 507 K CA 1.112 57.476 56.287 0.129 0.000 0.956 507 K CB -0.341 32.221 32.500 0.103 0.000 0.746 507 K HN 0.562 nan 8.250 nan 0.000 0.461 508 E N -0.021 120.224 120.200 0.075 0.000 2.051 508 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 508 E C 1.209 177.736 176.600 -0.122 0.000 0.991 508 E CA 1.236 57.619 56.400 -0.029 0.000 0.799 508 E CB -0.116 29.555 29.700 -0.048 0.000 0.748 508 E HN 0.308 nan 8.360 nan 0.000 0.449 509 Y N 0.836 121.069 120.300 -0.111 0.000 2.516 509 Y HA 0.013 4.563 4.550 -0.000 0.000 0.291 509 Y C 2.229 178.074 175.900 -0.091 0.000 1.131 509 Y CA 1.134 59.140 58.100 -0.156 0.000 1.281 509 Y CB -0.092 38.222 38.460 -0.244 0.000 1.013 509 Y HN 0.221 nan 8.280 nan 0.000 0.554 510 E N 0.529 120.810 120.200 0.134 0.000 2.085 510 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 510 E C 1.244 177.952 176.600 0.179 0.000 0.994 510 E CA 1.682 58.254 56.400 0.287 0.000 0.801 510 E CB 0.040 29.969 29.700 0.381 0.000 0.743 510 E HN 0.379 nan 8.360 nan 0.000 0.453 511 D N 0.507 120.956 120.400 0.082 0.000 2.097 511 D HA -0.130 4.509 4.640 -0.000 0.000 0.197 511 D C 1.870 178.167 176.300 -0.006 0.000 0.984 511 D CA 1.007 55.024 54.000 0.029 0.000 0.826 511 D CB -0.140 40.656 40.800 -0.007 0.000 0.973 511 D HN 0.170 nan 8.370 nan 0.000 0.460 512 K N 0.399 120.763 120.400 -0.059 0.000 2.059 512 K HA -0.129 4.190 4.320 -0.000 0.000 0.212 512 K C 2.170 178.771 176.600 0.002 0.000 1.050 512 K CA 0.920 57.165 56.287 -0.070 0.000 0.927 512 K CB -0.191 32.196 32.500 -0.187 0.000 0.714 512 K HN 0.020 nan 8.250 nan 0.000 0.447 513 V N 0.981 120.914 119.914 0.032 0.000 2.323 513 V HA -0.192 3.927 4.120 -0.000 0.000 0.244 513 V C 2.062 178.170 176.094 0.023 0.000 1.041 513 V CA 1.348 63.678 62.300 0.050 0.000 1.025 513 V CB -0.274 31.610 31.823 0.102 0.000 0.656 513 V HN 0.186 nan 8.190 nan 0.000 0.451 514 L N 0.387 121.628 121.223 0.031 0.000 2.240 514 L HA -0.061 4.279 4.340 -0.000 0.000 0.211 514 L C 2.554 179.398 176.870 -0.043 0.000 1.106 514 L CA 2.207 57.049 54.840 0.004 0.000 0.793 514 L CB -1.088 41.003 42.059 0.053 0.000 0.927 514 L HN 0.525 nan 8.230 nan 0.000 0.446 515 T N -4.561 109.959 114.554 -0.056 0.000 2.937 515 T HA -0.037 4.313 4.350 -0.000 0.000 0.260 515 T C 2.034 176.595 174.700 -0.231 0.000 1.051 515 T CA 1.060 63.082 62.100 -0.130 0.000 1.141 515 T CB -0.301 68.506 68.868 -0.101 0.000 0.879 515 T HN 0.121 nan 8.240 nan 0.000 0.459 516 S N 1.256 116.890 115.700 -0.109 0.000 2.383 516 S HA 0.014 4.484 4.470 -0.000 0.000 0.227 516 S C 2.023 176.575 174.600 -0.080 0.000 1.026 516 S CA 0.825 58.999 58.200 -0.043 0.000 0.981 516 S CB -0.187 63.105 63.200 0.153 0.000 0.818 516 S HN 0.444 nan 8.310 nan 0.000 0.472 517 K N 0.459 120.818 120.400 -0.069 0.000 2.116 517 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 517 K C 2.269 178.806 176.600 -0.106 0.000 1.052 517 K CA 0.901 57.150 56.287 -0.064 0.000 0.952 517 K CB -0.337 32.129 32.500 -0.057 0.000 0.729 517 K HN 0.402 nan 8.250 nan 0.000 0.446 518 G N 1.100 109.816 108.800 -0.141 0.000 2.421 518 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 518 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 518 G C 1.353 176.122 174.900 -0.219 0.000 1.143 518 G CA 0.477 45.487 45.100 -0.149 0.000 0.784 518 G HN 0.195 nan 8.290 nan 0.000 0.541 519 K N 0.346 120.519 120.400 -0.378 0.000 2.044 519 K HA 0.212 4.532 4.320 -0.000 0.000 0.204 519 K C 2.933 179.303 176.600 -0.384 0.000 1.049 519 K CA 0.750 56.704 56.287 -0.556 0.000 0.945 519 K CB -0.141 31.596 32.500 -1.270 0.000 0.724 519 K HN 0.204 nan 8.250 nan 0.000 0.440 520 A N 1.383 124.037 122.820 -0.276 0.000 1.978 520 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 520 A C 2.050 179.615 177.584 -0.031 0.000 1.170 520 A CA 1.258 53.272 52.037 -0.039 0.000 0.636 520 A CB -0.436 18.598 19.000 0.058 0.000 0.810 520 A HN 0.264 nan 8.150 nan 0.000 0.448 521 L N -0.827 120.355 121.223 -0.068 0.000 2.156 521 L HA 0.136 4.476 4.340 -0.000 0.000 0.208 521 L C 2.485 179.326 176.870 -0.049 0.000 1.095 521 L CA 1.871 56.680 54.840 -0.052 0.000 0.770 521 L CB -0.565 41.459 42.059 -0.059 0.000 0.914 521 L HN 0.281 nan 8.230 nan 0.000 0.439 522 A N -0.802 121.976 122.820 -0.070 0.000 1.929 522 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 522 A C 2.134 179.709 177.584 -0.015 0.000 1.176 522 A CA 1.511 53.517 52.037 -0.051 0.000 0.628 522 A CB -0.736 18.216 19.000 -0.080 0.000 0.816 522 A HN 0.413 nan 8.150 nan 0.000 0.444 523 L N -0.237 120.984 121.223 -0.003 0.000 2.291 523 L HA -0.012 4.328 4.340 -0.000 0.000 0.214 523 L C 2.127 179.040 176.870 0.072 0.000 1.120 523 L CA 1.569 56.441 54.840 0.053 0.000 0.799 523 L CB -0.327 41.795 42.059 0.104 0.000 0.925 523 L HN 0.463 nan 8.230 nan 0.000 0.446 524 E N -0.881 119.349 120.200 0.051 0.000 2.076 524 E HA -0.186 4.164 4.350 -0.000 0.000 0.190 524 E C 2.043 178.675 176.600 0.054 0.000 0.979 524 E CA 0.786 57.219 56.400 0.055 0.000 0.807 524 E CB 0.101 29.809 29.700 0.014 0.000 0.761 524 E HN 0.435 nan 8.360 nan 0.000 0.454 525 K N 0.433 120.847 120.400 0.023 0.000 2.057 525 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 525 K C 2.276 178.918 176.600 0.070 0.000 1.049 525 K CA 0.975 57.281 56.287 0.030 0.000 0.931 525 K CB 0.040 32.542 32.500 0.004 0.000 0.714 525 K HN 0.038 nan 8.250 nan 0.000 0.440 526 Q N 0.618 120.452 119.800 0.056 0.000 2.079 526 Q HA -0.065 4.274 4.340 -0.000 0.000 0.200 526 Q C 2.236 178.277 176.000 0.068 0.000 0.974 526 Q CA 1.096 56.933 55.803 0.055 0.000 0.840 526 Q CB -0.078 28.688 28.738 0.046 0.000 0.898 526 Q HN 0.353 nan 8.270 nan 0.000 0.430 527 L N -0.585 120.698 121.223 0.101 0.000 2.201 527 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 527 L C 2.291 179.221 176.870 0.099 0.000 1.105 527 L CA 0.911 55.837 54.840 0.143 0.000 0.775 527 L CB -0.432 41.770 42.059 0.239 0.000 0.913 527 L HN 0.177 nan 8.230 nan 0.000 0.440 528 Y N 0.782 121.037 120.300 -0.075 0.000 2.263 528 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 528 Y C 2.575 178.258 175.900 -0.361 0.000 1.130 528 Y CA 1.334 59.307 58.100 -0.212 0.000 1.179 528 Y CB 0.144 38.480 38.460 -0.207 0.000 0.998 528 Y HN 0.097 nan 8.280 nan 0.000 0.532 529 E N 0.349 120.446 120.200 -0.172 0.000 2.204 529 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 529 E C 1.934 178.455 176.600 -0.131 0.000 0.989 529 E CA 1.156 57.439 56.400 -0.195 0.000 0.824 529 E CB -0.199 29.504 29.700 0.006 0.000 0.756 529 E HN 0.677 nan 8.360 nan 0.000 0.477 530 E N 0.454 120.610 120.200 -0.074 0.000 2.274 530 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 530 E C 2.041 178.632 176.600 -0.016 0.000 0.996 530 E CA 0.157 56.556 56.400 -0.002 0.000 0.840 530 E CB 0.104 29.833 29.700 0.049 0.000 0.772 530 E HN 0.203 nan 8.360 nan 0.000 0.491 531 L N 0.077 121.211 121.223 -0.147 0.000 2.156 531 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 531 L C 2.079 178.945 176.870 -0.007 0.000 1.095 531 L CA 0.467 55.228 54.840 -0.132 0.000 0.770 531 L CB -0.304 41.568 42.059 -0.312 0.000 0.914 531 L HN 0.183 nan 8.230 nan 0.000 0.439 532 F N 0.744 120.616 119.950 -0.131 0.000 2.146 532 F HA -0.183 4.343 4.527 -0.000 0.000 0.298 532 F C 2.345 178.128 175.800 -0.028 0.000 1.096 532 F CA 0.749 58.694 58.000 -0.090 0.000 1.275 532 F CB -0.976 37.961 39.000 -0.104 0.000 1.008 532 F HN 0.153 nan 8.300 nan 0.000 0.480 533 D N 0.349 120.855 120.400 0.175 0.000 2.133 533 D HA -0.188 4.452 4.640 -0.000 0.000 0.195 533 D C 2.426 178.787 176.300 0.101 0.000 0.997 533 D CA 1.280 55.344 54.000 0.106 0.000 0.840 533 D CB -0.642 40.204 40.800 0.077 0.000 0.947 533 D HN 0.257 nan 8.370 nan 0.000 0.452 534 L N -0.412 120.882 121.223 0.120 0.000 2.179 534 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 534 L C 2.069 179.073 176.870 0.224 0.000 1.096 534 L CA 0.209 55.139 54.840 0.150 0.000 0.779 534 L CB -0.067 42.073 42.059 0.136 0.000 0.922 534 L HN 0.014 nan 8.230 nan 0.000 0.443 535 L N -0.647 120.699 121.223 0.204 0.000 2.102 535 L HA -0.063 4.277 4.340 -0.000 0.000 0.202 535 L C 2.279 179.279 176.870 0.217 0.000 1.076 535 L CA 1.498 56.480 54.840 0.238 0.000 0.761 535 L CB -0.719 41.460 42.059 0.199 0.000 0.921 535 L HN 0.108 nan 8.230 nan 0.000 0.444 536 L N -0.352 120.941 121.223 0.117 0.000 2.127 536 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 536 L C -0.167 176.709 176.870 0.010 0.000 1.089 536 L CA 1.113 55.978 54.840 0.043 0.000 0.757 536 L CB -1.574 40.487 42.059 0.004 0.000 0.899 536 L HN 0.250 nan 8.230 nan 0.000 0.434 537 P HA -0.184 nan 4.420 nan 0.000 0.215 537 P C 0.614 177.784 177.300 -0.217 0.000 1.157 537 P CA 1.579 64.555 63.100 -0.207 0.000 0.874 537 P CB -0.147 31.307 31.700 -0.410 0.000 0.790 538 H N -1.768 117.354 119.070 0.085 0.000 2.592 538 H HA 0.118 4.673 4.556 -0.000 0.000 0.291 538 H C 1.470 176.868 175.328 0.116 0.000 1.052 538 H CA -0.361 55.765 56.048 0.130 0.000 1.175 538 H CB -0.792 29.090 29.762 0.200 0.000 1.378 538 H HN 0.001 nan 8.280 nan 0.000 0.576 539 L N 0.946 122.251 121.223 0.137 0.000 2.012 539 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 539 L C 2.222 179.160 176.870 0.113 0.000 1.073 539 L CA 1.851 56.750 54.840 0.098 0.000 0.748 539 L CB -0.441 41.649 42.059 0.051 0.000 0.891 539 L HN 0.387 nan 8.230 nan 0.000 0.431 540 E N -0.674 119.595 120.200 0.115 0.000 2.038 540 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 540 E C 2.106 178.799 176.600 0.155 0.000 1.000 540 E CA 1.392 57.863 56.400 0.118 0.000 0.803 540 E CB -0.248 29.512 29.700 0.100 0.000 0.750 540 E HN 0.623 nan 8.360 nan 0.000 0.448 541 A N 0.961 123.913 122.820 0.219 0.000 1.908 541 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 541 A C 2.218 180.034 177.584 0.388 0.000 1.181 541 A CA 1.304 53.536 52.037 0.324 0.000 0.627 541 A CB -0.717 18.530 19.000 0.413 0.000 0.818 541 A HN 0.301 nan 8.150 nan 0.000 0.445 542 L N -1.001 120.355 121.223 0.222 0.000 2.046 542 L HA -0.264 4.076 4.340 -0.000 0.000 0.208 542 L C 2.910 179.800 176.870 0.034 0.000 1.077 542 L CA 1.664 56.479 54.840 -0.042 0.000 0.747 542 L CB -0.609 41.398 42.059 -0.086 0.000 0.896 542 L HN 0.499 nan 8.230 nan 0.000 0.432 543 Q N -0.584 119.261 119.800 0.075 0.000 2.119 543 Q HA -0.248 4.091 4.340 -0.000 0.000 0.201 543 Q C 2.259 178.307 176.000 0.080 0.000 0.972 543 Q CA 1.308 57.151 55.803 0.067 0.000 0.847 543 Q CB -0.088 28.693 28.738 0.072 0.000 0.903 543 Q HN 0.555 nan 8.270 nan 0.000 0.433 544 Q N -0.127 119.741 119.800 0.113 0.000 2.050 544 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 544 Q C 2.292 178.366 176.000 0.124 0.000 0.980 544 Q CA 1.582 57.455 55.803 0.116 0.000 0.840 544 Q CB -0.129 28.689 28.738 0.133 0.000 0.898 544 Q HN 0.242 nan 8.270 nan 0.000 0.424 545 S N 0.181 115.982 115.700 0.168 0.000 2.351 545 S HA -0.213 4.257 4.470 -0.000 0.000 0.220 545 S C 2.046 176.700 174.600 0.091 0.000 1.035 545 S CA 1.382 59.686 58.200 0.173 0.000 1.031 545 S CB -0.360 62.973 63.200 0.221 0.000 0.928 545 S HN 0.457 nan 8.310 nan 0.000 0.433 546 A N 0.429 123.280 122.820 0.051 0.000 1.978 546 A HA -0.072 4.248 4.320 -0.000 0.000 0.220 546 A C 2.461 180.059 177.584 0.023 0.000 1.170 546 A CA 2.259 54.308 52.037 0.020 0.000 0.636 546 A CB -1.301 17.700 19.000 0.000 0.000 0.810 546 A HN 0.653 nan 8.150 nan 0.000 0.448 547 S N -0.705 115.019 115.700 0.041 0.000 2.371 547 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 547 S C 2.189 176.817 174.600 0.046 0.000 1.029 547 S CA 1.334 59.559 58.200 0.042 0.000 0.978 547 S CB -0.452 62.782 63.200 0.057 0.000 0.833 547 S HN 0.803 nan 8.310 nan 0.000 0.466 548 A N 1.484 124.339 122.820 0.059 0.000 1.902 548 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 548 A C 2.181 179.787 177.584 0.037 0.000 1.181 548 A CA 1.404 53.475 52.037 0.057 0.000 0.623 548 A CB -0.831 18.210 19.000 0.068 0.000 0.818 548 A HN 0.573 nan 8.150 nan 0.000 0.443 549 L N -0.957 120.285 121.223 0.033 0.000 2.201 549 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 549 L C 2.916 179.778 176.870 -0.013 0.000 1.105 549 L CA 0.842 55.691 54.840 0.015 0.000 0.775 549 L CB -0.337 41.734 42.059 0.019 0.000 0.913 549 L HN 0.438 nan 8.230 nan 0.000 0.440 550 A N -0.605 122.203 122.820 -0.020 0.000 2.016 550 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 550 A C 2.242 179.766 177.584 -0.100 0.000 1.162 550 A CA 1.236 53.237 52.037 -0.060 0.000 0.662 550 A CB -0.208 18.759 19.000 -0.055 0.000 0.812 550 A HN 0.437 nan 8.150 nan 0.000 0.450 551 E N -0.637 119.535 120.200 -0.047 0.000 2.122 551 E HA -0.047 4.303 4.350 -0.000 0.000 0.190 551 E C 1.680 178.264 176.600 -0.026 0.000 0.977 551 E CA 0.208 56.585 56.400 -0.039 0.000 0.820 551 E CB -0.041 29.722 29.700 0.105 0.000 0.770 551 E HN 0.323 nan 8.360 nan 0.000 0.462 552 L N 1.976 123.195 121.223 -0.007 0.000 2.042 552 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 552 L C 2.162 179.014 176.870 -0.030 0.000 1.076 552 L CA 1.831 56.667 54.840 -0.007 0.000 0.749 552 L CB -1.156 40.900 42.059 -0.004 0.000 0.893 552 L HN 0.296 nan 8.230 nan 0.000 0.432 553 D N -0.657 119.712 120.400 -0.052 0.000 2.097 553 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 553 D C 2.223 178.465 176.300 -0.097 0.000 0.989 553 D CA 1.076 55.037 54.000 -0.066 0.000 0.827 553 D CB 0.242 40.998 40.800 -0.073 0.000 0.966 553 D HN 0.118 nan 8.370 nan 0.000 0.456 554 V N 0.591 120.403 119.914 -0.170 0.000 2.343 554 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 554 V C 2.698 178.724 176.094 -0.114 0.000 1.051 554 V CA 1.165 63.315 62.300 -0.250 0.000 1.036 554 V CB -0.366 31.081 31.823 -0.625 0.000 0.654 554 V HN 0.249 nan 8.190 nan 0.000 0.451 555 L N -0.898 120.299 121.223 -0.043 0.000 2.131 555 L HA -0.051 4.289 4.340 -0.000 0.000 0.206 555 L C 2.430 179.303 176.870 0.004 0.000 1.087 555 L CA 0.648 55.514 54.840 0.042 0.000 0.767 555 L CB -0.473 41.640 42.059 0.090 0.000 0.917 555 L HN 0.155 nan 8.230 nan 0.000 0.441 556 V N 0.602 120.509 119.914 -0.011 0.000 2.407 556 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 556 V C 2.256 178.342 176.094 -0.015 0.000 1.055 556 V CA 2.198 64.492 62.300 -0.010 0.000 1.049 556 V CB -0.661 31.159 31.823 -0.005 0.000 0.662 556 V HN 0.556 nan 8.190 nan 0.000 0.455 557 N N 0.332 119.019 118.700 -0.023 0.000 2.058 557 N HA -0.151 4.588 4.740 -0.000 0.000 0.191 557 N C 1.718 177.224 175.510 -0.007 0.000 1.037 557 N CA 1.673 54.711 53.050 -0.019 0.000 0.848 557 N CB -0.331 38.136 38.487 -0.034 0.000 1.021 557 N HN 0.408 nan 8.380 nan 0.000 0.422 558 L N -0.142 121.082 121.223 0.001 0.000 2.191 558 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 558 L C 2.439 179.292 176.870 -0.028 0.000 1.103 558 L CA 1.048 55.902 54.840 0.024 0.000 0.769 558 L CB -0.539 41.556 42.059 0.062 0.000 0.908 558 L HN 0.327 nan 8.230 nan 0.000 0.438 559 A N -0.374 122.412 122.820 -0.056 0.000 1.877 559 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 559 A C 2.349 179.910 177.584 -0.038 0.000 1.186 559 A CA 1.727 53.706 52.037 -0.097 0.000 0.620 559 A CB -0.462 18.492 19.000 -0.076 0.000 0.822 559 A HN 0.403 nan 8.150 nan 0.000 0.443 560 E N 0.193 120.389 120.200 -0.008 0.000 2.077 560 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 560 E C 2.133 178.740 176.600 0.010 0.000 0.989 560 E CA 0.970 57.384 56.400 0.024 0.000 0.800 560 E CB -0.290 29.417 29.700 0.013 0.000 0.746 560 E HN 0.454 nan 8.360 nan 0.000 0.452 561 R N 0.264 120.752 120.500 -0.019 0.000 2.081 561 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 561 R C 2.340 178.522 176.300 -0.198 0.000 1.131 561 R CA 1.165 57.215 56.100 -0.083 0.000 0.960 561 R CB -0.830 29.474 30.300 0.008 0.000 0.856 561 R HN 0.234 nan 8.270 nan 0.000 0.436 562 A N 0.186 122.991 122.820 -0.024 0.000 1.898 562 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 562 A C 2.057 179.686 177.584 0.075 0.000 1.181 562 A CA 1.121 53.211 52.037 0.089 0.000 0.620 562 A CB -0.670 18.395 19.000 0.108 0.000 0.819 562 A HN 0.331 nan 8.150 nan 0.000 0.442 563 Y N 0.809 121.076 120.300 -0.054 0.000 2.220 563 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 563 Y C 2.704 178.561 175.900 -0.073 0.000 1.129 563 Y CA 2.009 60.092 58.100 -0.027 0.000 1.161 563 Y CB -0.559 37.890 38.460 -0.019 0.000 0.997 563 Y HN 0.297 nan 8.280 nan 0.000 0.522 564 T N 0.318 114.843 114.554 -0.048 0.000 2.951 564 T HA -0.028 4.322 4.350 -0.000 0.000 0.268 564 T C 1.342 175.917 174.700 -0.208 0.000 1.073 564 T CA 1.238 63.261 62.100 -0.129 0.000 1.134 564 T CB -0.242 68.585 68.868 -0.068 0.000 0.884 564 T HN 0.181 nan 8.240 nan 0.000 0.479 565 L N 0.936 121.957 121.223 -0.336 0.000 2.872 565 L HA 0.342 4.682 4.340 -0.000 0.000 0.245 565 L C -0.120 176.538 176.870 -0.352 0.000 1.211 565 L CA -0.325 54.249 54.840 -0.443 0.000 1.013 565 L CB -0.441 41.133 42.059 -0.809 0.000 1.326 565 L HN 0.103 nan 8.230 nan 0.000 0.525 566 N N -0.316 118.266 118.700 -0.197 0.000 2.705 566 N HA -0.240 4.500 4.740 -0.000 0.000 0.255 566 N C -0.767 174.833 175.510 0.150 0.000 1.008 566 N CA 0.751 53.779 53.050 -0.037 0.000 0.742 566 N CB -1.247 37.228 38.487 -0.020 0.000 0.906 566 N HN 0.202 nan 8.380 nan 0.000 0.541 567 Y N -0.567 119.777 120.300 0.073 0.000 2.326 567 Y HA 0.647 5.197 4.550 -0.000 0.000 0.324 567 Y C 1.404 177.367 175.900 0.106 0.000 1.291 567 Y CA -0.943 57.216 58.100 0.098 0.000 1.348 567 Y CB 0.991 39.550 38.460 0.165 0.000 1.294 567 Y HN 0.026 nan 8.280 nan 0.000 0.525 568 T N 0.102 114.744 114.554 0.146 0.000 2.907 568 T HA 0.371 4.721 4.350 -0.000 0.000 0.290 568 T C -1.233 173.180 174.700 -0.478 0.000 1.066 568 T CA -0.525 61.501 62.100 -0.124 0.000 1.012 568 T CB 0.855 69.663 68.868 -0.099 0.000 1.184 568 T HN 0.774 nan 8.240 nan 0.000 0.522 569 C N 5.181 124.020 119.300 -0.768 0.000 2.265 569 C HA 0.718 5.178 4.460 -0.000 0.000 0.332 569 C C -2.261 172.439 174.990 -0.484 0.000 1.248 569 C CA -1.818 56.636 59.018 -0.941 0.000 1.727 569 C CB -0.212 26.942 27.740 -0.978 0.000 2.348 569 C HN 0.620 nan 8.230 nan 0.000 0.519 570 P HA 0.296 nan 4.420 nan 0.000 0.284 570 P C -0.346 176.589 177.300 -0.608 0.000 1.253 570 P CA 0.250 63.076 63.100 -0.457 0.000 0.800 570 P CB 1.022 32.440 31.700 -0.470 0.000 0.961 571 T N -0.412 113.846 114.554 -0.493 0.000 2.929 571 T HA 0.640 4.990 4.350 -0.000 0.000 0.284 571 T C -0.385 174.016 174.700 -0.499 0.000 1.014 571 T CA -0.512 61.311 62.100 -0.461 0.000 1.051 571 T CB 0.346 69.094 68.868 -0.201 0.000 1.028 571 T HN 0.063 nan 8.240 nan 0.000 0.485 572 F N 1.471 121.385 119.950 -0.060 0.000 2.443 572 F HA 0.630 5.157 4.527 -0.000 0.000 0.335 572 F C 0.461 176.264 175.800 0.005 0.000 1.104 572 F CA -1.536 56.444 58.000 -0.033 0.000 1.013 572 F CB 1.237 40.218 39.000 -0.031 0.000 1.136 572 F HN 0.698 nan 8.300 nan 0.000 0.470 573 I N -0.939 119.760 120.570 0.215 0.000 2.910 573 I HA 0.514 4.684 4.170 -0.000 0.000 0.310 573 I C 0.553 176.755 176.117 0.141 0.000 1.043 573 I CA -0.874 60.509 61.300 0.137 0.000 1.053 573 I CB 1.741 39.795 38.000 0.091 0.000 1.242 573 I HN 0.593 nan 8.210 nan 0.000 0.452 574 D N 2.558 123.020 120.400 0.104 0.000 2.091 574 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 574 D C 0.442 176.812 176.300 0.117 0.000 0.980 574 D CA 1.263 55.321 54.000 0.096 0.000 0.831 574 D CB -0.081 40.761 40.800 0.070 0.000 0.987 574 D HN 0.526 nan 8.370 nan 0.000 0.460 575 K N 1.160 121.620 120.400 0.101 0.000 2.090 575 K HA 0.335 4.655 4.320 -0.000 0.000 0.250 575 K C -2.338 174.328 176.600 0.109 0.000 1.004 575 K CA -1.957 54.391 56.287 0.102 0.000 0.919 575 K CB 1.190 33.721 32.500 0.052 0.000 1.045 575 K HN 0.014 nan 8.250 nan 0.000 0.471 576 P HA 0.159 nan 4.420 nan 0.000 0.270 576 P C -0.541 176.796 177.300 0.062 0.000 1.223 576 P CA -0.158 62.997 63.100 0.093 0.000 0.785 576 P CB 0.752 32.456 31.700 0.006 0.000 0.923 577 G N 0.519 109.365 108.800 0.077 0.000 2.368 577 G HA2 0.378 4.338 3.960 -0.000 0.000 0.303 577 G HA3 0.378 4.338 3.960 -0.000 0.000 0.303 577 G C -1.801 173.139 174.900 0.067 0.000 1.590 577 G CA -0.743 44.392 45.100 0.058 0.000 0.938 577 G HN 0.411 nan 8.290 nan 0.000 0.675 578 I N 1.650 122.246 120.570 0.044 0.000 2.493 578 I HA 0.383 4.553 4.170 -0.000 0.000 0.279 578 I C -0.029 176.098 176.117 0.016 0.000 1.045 578 I CA -0.772 60.546 61.300 0.031 0.000 1.106 578 I CB 1.778 39.792 38.000 0.023 0.000 1.216 578 I HN 0.228 nan 8.210 nan 0.000 0.459 579 R N 6.948 127.452 120.500 0.006 0.000 2.198 579 R HA 0.643 4.983 4.340 -0.000 0.000 0.339 579 R C -0.700 175.594 176.300 -0.010 0.000 1.020 579 R CA -0.498 55.604 56.100 0.003 0.000 0.864 579 R CB 1.731 32.031 30.300 0.000 0.000 1.105 579 R HN 0.567 nan 8.270 nan 0.000 0.463 580 I N 1.703 122.274 120.570 0.002 0.000 2.530 580 I HA 0.353 4.523 4.170 -0.000 0.000 0.297 580 I C 0.131 176.260 176.117 0.021 0.000 1.011 580 I CA -0.702 60.596 61.300 -0.003 0.000 1.107 580 I CB 2.398 40.395 38.000 -0.005 0.000 1.285 580 I HN 0.355 nan 8.210 nan 0.000 0.436 581 T N 3.123 117.685 114.554 0.013 0.000 2.887 581 T HA 0.206 4.556 4.350 -0.000 0.000 0.288 581 T C -0.133 174.591 174.700 0.041 0.000 1.021 581 T CA -0.589 61.528 62.100 0.029 0.000 1.000 581 T CB 1.499 70.376 68.868 0.014 0.000 1.034 581 T HN 0.517 nan 8.240 nan 0.000 0.467 582 E N 1.127 121.364 120.200 0.062 0.000 1.821 582 E HA -0.170 4.180 4.350 -0.000 0.000 0.172 582 E C 0.644 177.302 176.600 0.096 0.000 1.277 582 E CA 0.569 57.020 56.400 0.085 0.000 0.613 582 E CB -1.098 28.645 29.700 0.071 0.000 1.032 582 E HN 0.797 nan 8.360 nan 0.000 0.289 583 G N 0.362 109.224 108.800 0.103 0.000 2.504 583 G HA2 0.550 4.510 3.960 -0.000 0.000 0.288 583 G HA3 0.550 4.510 3.960 -0.000 0.000 0.288 583 G C 0.068 175.060 174.900 0.152 0.000 1.182 583 G CA -0.583 44.565 45.100 0.079 0.000 0.894 583 G HN 0.137 nan 8.290 nan 0.000 0.521 584 R N -1.280 119.256 120.500 0.060 0.000 2.781 584 R HA 0.326 4.666 4.340 -0.000 0.000 0.269 584 R C -0.883 175.321 176.300 -0.161 0.000 1.025 584 R CA -0.952 55.132 56.100 -0.025 0.000 0.914 584 R CB 1.337 31.508 30.300 -0.215 0.000 1.236 584 R HN 0.600 nan 8.270 nan 0.000 0.465 585 H N 3.705 122.489 119.070 -0.476 0.000 2.742 585 H HA 0.137 4.693 4.556 -0.000 0.000 0.302 585 H C -1.639 173.495 175.328 -0.324 0.000 1.069 585 H CA -1.892 53.982 56.048 -0.291 0.000 1.446 585 H CB 1.515 31.190 29.762 -0.146 0.000 1.462 585 H HN 0.325 nan 8.280 nan 0.000 0.499 586 P HA -0.127 nan 4.420 nan 0.000 0.220 586 P C 1.249 178.601 177.300 0.087 0.000 1.148 586 P CA 0.633 63.718 63.100 -0.025 0.000 0.803 586 P CB 0.744 32.392 31.700 -0.086 0.000 0.782 587 V N -0.326 119.727 119.914 0.232 0.000 2.492 587 V HA -0.077 4.043 4.120 -0.000 0.000 0.241 587 V C 2.771 178.913 176.094 0.079 0.000 1.041 587 V CA 1.005 63.408 62.300 0.172 0.000 1.057 587 V CB -0.935 31.011 31.823 0.205 0.000 0.711 587 V HN -0.121 nan 8.190 nan 0.000 0.468 588 V N 1.737 121.664 119.914 0.022 0.000 2.490 588 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 588 V C 2.599 178.712 176.094 0.031 0.000 1.061 588 V CA 2.286 64.560 62.300 -0.044 0.000 1.064 588 V CB -0.855 30.910 31.823 -0.097 0.000 0.670 588 V HN 0.868 nan 8.190 nan 0.000 0.461 589 E N -0.156 119.949 120.200 -0.159 0.000 2.153 589 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 589 E C 1.990 178.600 176.600 0.016 0.000 0.988 589 E CA 1.290 57.624 56.400 -0.110 0.000 0.811 589 E CB -0.256 29.258 29.700 -0.310 0.000 0.746 589 E HN 0.528 nan 8.360 nan 0.000 0.466 590 Q N 0.288 120.095 119.800 0.012 0.000 2.302 590 Q HA 0.068 4.408 4.340 -0.000 0.000 0.202 590 Q C 2.184 178.204 176.000 0.034 0.000 0.936 590 Q CA 0.660 56.479 55.803 0.026 0.000 0.886 590 Q CB 0.658 29.413 28.738 0.027 0.000 0.986 590 Q HN 0.273 nan 8.270 nan 0.000 0.487 591 V N 0.170 120.108 119.914 0.039 0.000 2.581 591 V HA 0.055 4.175 4.120 -0.000 0.000 0.240 591 V C 1.377 177.497 176.094 0.043 0.000 1.054 591 V CA 0.410 62.732 62.300 0.036 0.000 1.076 591 V CB 0.173 32.013 31.823 0.029 0.000 0.748 591 V HN 0.138 nan 8.190 nan 0.000 0.474 592 L N 0.441 121.701 121.223 0.061 0.000 2.475 592 L HA 0.189 4.529 4.340 -0.000 0.000 0.250 592 L C 1.029 177.941 176.870 0.070 0.000 1.224 592 L CA 0.225 55.108 54.840 0.071 0.000 0.821 592 L CB -0.007 42.113 42.059 0.103 0.000 1.141 592 L HN 0.201 nan 8.230 nan 0.000 0.494 593 N N -0.693 118.044 118.700 0.062 0.000 2.170 593 N HA 0.092 4.832 4.740 -0.000 0.000 0.222 593 N C -0.371 175.169 175.510 0.050 0.000 1.218 593 N CA 0.070 53.150 53.050 0.051 0.000 0.889 593 N CB 0.856 39.364 38.487 0.034 0.000 1.083 593 N HN 0.488 nan 8.380 nan 0.000 0.520 594 E N 1.557 121.794 120.200 0.061 0.000 2.283 594 E HA 0.286 4.636 4.350 -0.000 0.000 0.267 594 E C -2.152 174.492 176.600 0.073 0.000 1.045 594 E CA -1.516 54.912 56.400 0.046 0.000 0.884 594 E CB 1.005 30.720 29.700 0.025 0.000 1.106 594 E HN 0.090 nan 8.360 nan 0.000 0.408 595 P HA -0.000 nan 4.420 nan 0.000 0.263 595 P C -0.619 176.745 177.300 0.107 0.000 1.195 595 P CA 0.255 63.401 63.100 0.077 0.000 0.762 595 P CB 0.005 31.724 31.700 0.033 0.000 0.799 596 F N 3.994 123.977 119.950 0.056 0.000 2.438 596 F HA 0.323 4.850 4.527 -0.000 0.000 0.356 596 F C 0.391 176.243 175.800 0.087 0.000 1.099 596 F CA -0.554 57.497 58.000 0.086 0.000 1.185 596 F CB 0.397 39.452 39.000 0.093 0.000 1.115 596 F HN 0.179 nan 8.300 nan 0.000 0.526 597 I N 6.621 126.923 120.570 -0.447 0.000 2.325 597 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 597 I C 0.276 176.369 176.117 -0.040 0.000 1.019 597 I CA -0.439 60.764 61.300 -0.162 0.000 1.302 597 I CB 0.905 38.812 38.000 -0.155 0.000 1.401 597 I HN 0.720 nan 8.210 nan 0.000 0.485 598 A N 7.328 130.263 122.820 0.191 0.000 2.322 598 A HA 0.583 4.903 4.320 -0.000 0.000 0.269 598 A C -0.306 177.383 177.584 0.174 0.000 1.094 598 A CA -0.485 51.717 52.037 0.276 0.000 0.807 598 A CB 0.383 19.521 19.000 0.229 0.000 1.047 598 A HN 0.801 nan 8.150 nan 0.000 0.487 599 N N 0.906 119.738 118.700 0.220 0.000 2.357 599 N HA 0.577 5.317 4.740 -0.000 0.000 0.284 599 N C -3.162 172.473 175.510 0.210 0.000 1.236 599 N CA -1.137 52.027 53.050 0.190 0.000 0.774 599 N CB 2.262 40.882 38.487 0.221 0.000 1.534 599 N HN 0.414 nan 8.380 nan 0.000 0.478 600 P HA 0.426 nan 4.420 nan 0.000 0.280 600 P C -1.037 176.394 177.300 0.218 0.000 1.272 600 P CA -0.547 62.640 63.100 0.146 0.000 0.819 600 P CB 1.170 32.925 31.700 0.091 0.000 1.122 601 L N 1.342 122.647 121.223 0.137 0.000 2.464 601 L HA 0.521 4.861 4.340 -0.000 0.000 0.266 601 L C -1.264 175.650 176.870 0.075 0.000 0.965 601 L CA -0.368 54.551 54.840 0.131 0.000 0.833 601 L CB 1.508 43.592 42.059 0.042 0.000 1.296 601 L HN 0.280 nan 8.230 nan 0.000 0.405 602 N N 5.720 124.467 118.700 0.077 0.000 2.696 602 N HA 0.394 5.134 4.740 -0.000 0.000 0.246 602 N C -1.777 173.760 175.510 0.045 0.000 1.057 602 N CA -0.211 52.869 53.050 0.050 0.000 0.867 602 N CB 0.727 39.240 38.487 0.044 0.000 1.141 602 N HN 0.631 nan 8.380 nan 0.000 0.517 603 L N 2.032 123.277 121.223 0.036 0.000 2.280 603 L HA 0.442 4.782 4.340 -0.000 0.000 0.287 603 L C 0.746 177.630 176.870 0.023 0.000 1.023 603 L CA -0.472 54.386 54.840 0.030 0.000 0.819 603 L CB 1.364 43.442 42.059 0.030 0.000 1.212 603 L HN 0.399 nan 8.230 nan 0.000 0.420 604 S N 2.626 118.336 115.700 0.015 0.000 2.806 604 S HA 0.641 5.111 4.470 -0.000 0.000 0.315 604 S C -2.341 172.256 174.600 -0.004 0.000 1.127 604 S CA -1.372 56.834 58.200 0.010 0.000 0.918 604 S CB 2.012 65.218 63.200 0.009 0.000 1.240 604 S HN 0.288 nan 8.310 nan 0.000 0.552 605 P HA 0.093 nan 4.420 nan 0.000 0.225 605 P C 0.661 177.945 177.300 -0.026 0.000 1.156 605 P CA 0.945 64.026 63.100 -0.031 0.000 0.787 605 P CB -0.082 31.594 31.700 -0.040 0.000 0.802 606 Q N -1.084 118.706 119.800 -0.016 0.000 2.444 606 Q HA 0.073 4.413 4.340 -0.000 0.000 0.206 606 Q C 0.820 176.812 176.000 -0.013 0.000 0.948 606 Q CA 0.433 56.227 55.803 -0.015 0.000 0.946 606 Q CB 0.066 28.799 28.738 -0.009 0.000 1.027 606 Q HN 0.098 nan 8.270 nan 0.000 0.513 607 R N 0.431 120.925 120.500 -0.010 0.000 2.984 607 R HA 0.182 4.522 4.340 -0.000 0.000 0.252 607 R C -0.373 175.926 176.300 -0.001 0.000 1.842 607 R CA -0.053 56.044 56.100 -0.005 0.000 1.389 607 R CB 0.241 30.545 30.300 0.006 0.000 1.454 607 R HN 0.108 nan 8.270 nan 0.000 0.578 608 R N 1.951 122.444 120.500 -0.012 0.000 2.397 608 R HA 0.297 4.637 4.340 -0.000 0.000 0.241 608 R C 0.410 176.710 176.300 -0.000 0.000 0.914 608 R CA -0.174 55.921 56.100 -0.008 0.000 1.071 608 R CB 0.732 31.017 30.300 -0.025 0.000 1.116 608 R HN 0.254 nan 8.270 nan 0.000 0.524 609 M N 1.826 121.422 119.600 -0.006 0.000 2.183 609 M HA 0.366 4.846 4.480 -0.000 0.000 0.277 609 M C -1.863 174.448 176.300 0.018 0.000 0.995 609 M CA -0.680 54.623 55.300 0.004 0.000 0.969 609 M CB 1.752 34.325 32.600 -0.045 0.000 1.659 609 M HN 0.006 nan 8.290 nan 0.000 0.462 610 L N 5.516 126.780 121.223 0.069 0.000 2.292 610 L HA 0.488 4.828 4.340 -0.000 0.000 0.284 610 L C -0.337 176.606 176.870 0.122 0.000 1.065 610 L CA -0.845 54.049 54.840 0.090 0.000 0.806 610 L CB 1.241 43.381 42.059 0.136 0.000 1.175 610 L HN 0.621 nan 8.230 nan 0.000 0.431 611 I N 5.024 125.648 120.570 0.089 0.000 2.287 611 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 611 I C 0.095 176.297 176.117 0.142 0.000 1.069 611 I CA -0.292 61.085 61.300 0.129 0.000 1.237 611 I CB 0.872 38.887 38.000 0.025 0.000 1.418 611 I HN 0.452 nan 8.210 nan 0.000 0.481 612 I N 6.655 127.328 120.570 0.172 0.000 2.294 612 I HA 0.098 4.268 4.170 -0.000 0.000 0.295 612 I C 1.137 177.344 176.117 0.150 0.000 1.098 612 I CA 0.108 61.494 61.300 0.144 0.000 1.277 612 I CB 0.336 38.417 38.000 0.135 0.000 1.434 612 I HN 0.530 nan 8.210 nan 0.000 0.498 613 T N 2.098 116.753 114.554 0.168 0.000 2.897 613 T HA 0.950 5.300 4.350 -0.000 0.000 0.278 613 T C 0.407 175.235 174.700 0.214 0.000 0.981 613 T CA -0.188 62.022 62.100 0.184 0.000 0.973 613 T CB 1.777 70.758 68.868 0.189 0.000 1.092 613 T HN 1.003 nan 8.240 nan 0.000 0.543 614 G N 0.604 109.534 108.800 0.216 0.000 2.409 614 G HA2 0.138 4.098 3.960 -0.000 0.000 0.421 614 G HA3 0.138 4.098 3.960 -0.000 0.000 0.421 614 G C -3.144 171.881 174.900 0.210 0.000 1.259 614 G CA -0.650 44.605 45.100 0.258 0.000 1.011 614 G HN 0.837 nan 8.290 nan 0.000 0.497 615 P HA 0.195 nan 4.420 nan 0.000 0.271 615 P C 0.281 177.564 177.300 -0.030 0.000 1.216 615 P CA -0.158 62.986 63.100 0.073 0.000 0.776 615 P CB 1.375 33.075 31.700 -0.001 0.000 0.881 616 N N 3.688 122.334 118.700 -0.089 0.000 2.288 616 N HA 0.023 4.763 4.740 -0.000 0.000 0.199 616 N C 0.859 176.264 175.510 -0.175 0.000 1.043 616 N CA 0.728 53.720 53.050 -0.097 0.000 0.947 616 N CB -0.382 38.061 38.487 -0.073 0.000 1.140 616 N HN 0.278 nan 8.380 nan 0.000 0.490 617 M N -0.020 119.450 119.600 -0.215 0.000 2.206 617 M HA -0.198 4.281 4.480 -0.000 0.000 0.197 617 M C 0.965 177.196 176.300 -0.115 0.000 0.375 617 M CA 1.136 56.297 55.300 -0.231 0.000 0.410 617 M CB -2.686 29.621 32.600 -0.489 0.000 1.204 617 M HN 0.601 nan 8.290 nan 0.000 0.932 618 G N -1.655 107.090 108.800 -0.092 0.000 2.304 618 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 618 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 618 G C 0.870 175.678 174.900 -0.153 0.000 1.014 618 G CA 0.830 45.882 45.100 -0.080 0.000 0.619 618 G HN 1.093 nan 8.290 nan 0.000 0.525 619 G N 0.363 109.044 108.800 -0.197 0.000 2.414 619 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.215 619 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.215 619 G C 1.610 176.416 174.900 -0.155 0.000 1.188 619 G CA 1.669 46.556 45.100 -0.355 0.000 0.783 619 G HN 0.584 nan 8.290 nan 0.000 0.537 620 K N 0.561 120.928 120.400 -0.055 0.000 2.002 620 K HA -0.047 4.273 4.320 -0.000 0.000 0.209 620 K C 2.970 179.616 176.600 0.077 0.000 1.048 620 K CA 1.412 57.720 56.287 0.036 0.000 0.930 620 K CB -0.350 32.170 32.500 0.033 0.000 0.714 620 K HN 0.201 nan 8.250 nan 0.000 0.438 621 S N 0.626 116.339 115.700 0.021 0.000 2.365 621 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 621 S C 2.090 176.733 174.600 0.071 0.000 1.039 621 S CA 1.940 60.158 58.200 0.031 0.000 1.033 621 S CB -0.473 62.726 63.200 -0.001 0.000 0.887 621 S HN 0.362 nan 8.310 nan 0.000 0.447 622 T N 0.700 115.286 114.554 0.055 0.000 2.708 622 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 622 T C 1.553 176.401 174.700 0.247 0.000 1.037 622 T CA 1.509 63.691 62.100 0.137 0.000 1.146 622 T CB -0.518 68.368 68.868 0.031 0.000 0.865 622 T HN 0.471 nan 8.240 nan 0.000 0.435 623 Y N 1.661 121.994 120.300 0.056 0.000 2.151 623 Y HA -0.195 4.355 4.550 -0.000 0.000 0.284 623 Y C 2.227 178.168 175.900 0.069 0.000 1.166 623 Y CA 1.354 59.496 58.100 0.070 0.000 1.163 623 Y CB -0.431 38.042 38.460 0.023 0.000 0.974 623 Y HN 0.199 nan 8.280 nan 0.000 0.511 624 M N -0.916 118.718 119.600 0.057 0.000 2.123 624 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 624 M C 2.261 178.536 176.300 -0.042 0.000 1.069 624 M CA 1.631 56.909 55.300 -0.037 0.000 1.133 624 M CB -0.468 32.156 32.600 0.040 0.000 1.356 624 M HN 0.108 nan 8.290 nan 0.000 0.415 625 R N 0.835 121.357 120.500 0.036 0.000 2.120 625 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 625 R C 2.355 178.596 176.300 -0.098 0.000 1.123 625 R CA 1.560 57.676 56.100 0.026 0.000 0.975 625 R CB -0.386 30.007 30.300 0.154 0.000 0.866 625 R HN 0.577 nan 8.270 nan 0.000 0.446 626 Q N -0.134 119.619 119.800 -0.078 0.000 2.224 626 Q HA -0.077 4.263 4.340 -0.000 0.000 0.203 626 Q C 1.194 177.078 176.000 -0.193 0.000 0.970 626 Q CA 1.616 57.291 55.803 -0.214 0.000 0.865 626 Q CB -0.126 28.594 28.738 -0.030 0.000 0.922 626 Q HN 0.091 nan 8.270 nan 0.000 0.445 627 T N 1.512 115.950 114.554 -0.193 0.000 2.674 627 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 627 T C 2.046 176.677 174.700 -0.114 0.000 1.039 627 T CA 1.600 63.591 62.100 -0.181 0.000 1.150 627 T CB -0.453 68.277 68.868 -0.230 0.000 0.864 627 T HN 0.533 nan 8.240 nan 0.000 0.427 628 A N 1.222 123.986 122.820 -0.094 0.000 1.883 628 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 628 A C 2.338 179.875 177.584 -0.078 0.000 1.186 628 A CA 1.377 53.377 52.037 -0.061 0.000 0.624 628 A CB -0.971 18.001 19.000 -0.046 0.000 0.822 628 A HN 0.466 nan 8.150 nan 0.000 0.444 629 L N -0.747 120.394 121.223 -0.135 0.000 2.046 629 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 629 L C 2.493 179.277 176.870 -0.143 0.000 1.077 629 L CA 1.179 55.923 54.840 -0.160 0.000 0.747 629 L CB -0.479 41.417 42.059 -0.272 0.000 0.896 629 L HN 0.374 nan 8.230 nan 0.000 0.432 630 I N -0.226 120.250 120.570 -0.158 0.000 2.208 630 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 630 I C 2.763 178.834 176.117 -0.077 0.000 1.097 630 I CA 1.301 62.514 61.300 -0.145 0.000 1.363 630 I CB -0.381 37.534 38.000 -0.143 0.000 1.051 630 I HN 0.228 nan 8.210 nan 0.000 0.413 631 A N 0.722 123.529 122.820 -0.023 0.000 1.873 631 A HA -0.207 4.113 4.320 -0.000 0.000 0.215 631 A C 2.234 179.908 177.584 0.151 0.000 1.186 631 A CA 1.418 53.510 52.037 0.091 0.000 0.616 631 A CB -0.906 18.154 19.000 0.100 0.000 0.823 631 A HN 0.402 nan 8.150 nan 0.000 0.442 632 L N -0.305 120.955 121.223 0.063 0.000 2.051 632 L HA -0.184 4.156 4.340 -0.000 0.000 0.214 632 L C 2.234 179.144 176.870 0.066 0.000 1.076 632 L CA 2.557 57.431 54.840 0.057 0.000 0.758 632 L CB -1.151 40.899 42.059 -0.015 0.000 0.890 632 L HN 0.488 nan 8.230 nan 0.000 0.433 633 M N -0.936 118.667 119.600 0.006 0.000 2.288 633 M HA -0.014 4.466 4.480 -0.000 0.000 0.266 633 M C 2.246 178.547 176.300 0.002 0.000 1.072 633 M CA 1.291 56.587 55.300 -0.007 0.000 1.132 633 M CB -0.400 32.148 32.600 -0.086 0.000 1.386 633 M HN 0.388 nan 8.290 nan 0.000 0.432 634 A N -0.328 122.469 122.820 -0.040 0.000 1.908 634 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 634 A C 1.458 178.992 177.584 -0.084 0.000 1.181 634 A CA 1.589 53.548 52.037 -0.129 0.000 0.627 634 A CB -0.919 17.921 19.000 -0.267 0.000 0.818 634 A HN 0.537 nan 8.150 nan 0.000 0.445 635 Y N -1.220 119.158 120.300 0.130 0.000 2.461 635 Y HA 0.290 4.840 4.550 -0.000 0.000 0.277 635 Y C 1.597 177.507 175.900 0.016 0.000 1.182 635 Y CA -0.199 57.952 58.100 0.085 0.000 1.276 635 Y CB 0.161 38.643 38.460 0.036 0.000 1.087 635 Y HN 0.341 nan 8.280 nan 0.000 0.519 636 I N -1.406 119.235 120.570 0.118 0.000 3.645 636 I HA 0.128 4.297 4.170 -0.000 0.000 0.300 636 I C 1.499 177.636 176.117 0.033 0.000 1.260 636 I CA 1.199 62.540 61.300 0.069 0.000 1.365 636 I CB 0.139 38.212 38.000 0.120 0.000 1.077 636 I HN 0.363 nan 8.210 nan 0.000 0.439 637 G N 0.933 109.774 108.800 0.070 0.000 2.179 637 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 637 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 637 G C 0.466 175.450 174.900 0.141 0.000 0.990 637 G CA 0.416 45.568 45.100 0.087 0.000 0.646 637 G HN 0.448 nan 8.290 nan 0.000 0.517 638 S N -0.344 115.440 115.700 0.140 0.000 2.617 638 S HA 0.683 5.153 4.470 -0.000 0.000 0.269 638 S C 0.771 175.520 174.600 0.249 0.000 1.292 638 S CA -0.627 57.670 58.200 0.161 0.000 1.010 638 S CB 0.455 63.732 63.200 0.128 0.000 0.944 638 S HN 0.259 nan 8.310 nan 0.000 0.536 639 Y N 1.308 121.640 120.300 0.053 0.000 2.223 639 Y HA 0.390 4.940 4.550 -0.000 0.000 0.352 639 Y C 0.839 176.651 175.900 -0.147 0.000 1.293 639 Y CA -0.935 57.177 58.100 0.019 0.000 1.601 639 Y CB 0.059 38.610 38.460 0.152 0.000 1.407 639 Y HN 0.526 nan 8.280 nan 0.000 0.639 640 V N -1.612 118.238 119.914 -0.106 0.000 3.114 640 V HA 0.540 4.660 4.120 -0.000 0.000 0.308 640 V C -2.897 172.906 176.094 -0.484 0.000 1.168 640 V CA -2.713 59.330 62.300 -0.429 0.000 1.015 640 V CB 2.147 33.820 31.823 -0.251 0.000 1.050 640 V HN 0.555 nan 8.190 nan 0.000 0.433 641 P HA 0.554 nan 4.420 nan 0.000 0.244 641 P C -0.319 176.945 177.300 -0.060 0.000 1.769 641 P CA 0.506 63.479 63.100 -0.212 0.000 1.102 641 P CB 0.273 31.841 31.700 -0.220 0.000 1.937 642 A N 2.321 125.137 122.820 -0.006 0.000 2.583 642 A HA 0.297 4.617 4.320 -0.000 0.000 0.292 642 A C 0.892 178.481 177.584 0.007 0.000 1.045 642 A CA -0.477 51.561 52.037 0.001 0.000 0.672 642 A CB 0.685 19.663 19.000 -0.036 0.000 1.283 642 A HN 0.104 nan 8.150 nan 0.000 0.419 643 Q N 0.271 120.078 119.800 0.012 0.000 2.079 643 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 643 Q C 0.478 176.460 176.000 -0.030 0.000 0.974 643 Q CA 1.546 57.349 55.803 0.001 0.000 0.840 643 Q CB 0.049 28.793 28.738 0.010 0.000 0.898 643 Q HN 0.584 nan 8.270 nan 0.000 0.430 644 K N -0.580 119.797 120.400 -0.039 0.000 2.502 644 K HA 0.469 4.789 4.320 -0.000 0.000 0.257 644 K C -1.776 174.776 176.600 -0.080 0.000 0.938 644 K CA -0.398 55.849 56.287 -0.066 0.000 0.819 644 K CB 2.347 34.818 32.500 -0.049 0.000 1.333 644 K HN -0.229 nan 8.250 nan 0.000 0.434 645 V N 3.658 123.500 119.914 -0.121 0.000 2.555 645 V HA 0.211 4.331 4.120 -0.000 0.000 0.283 645 V C -1.003 174.993 176.094 -0.164 0.000 1.020 645 V CA -0.830 61.391 62.300 -0.132 0.000 0.883 645 V CB 1.458 33.183 31.823 -0.163 0.000 1.030 645 V HN 0.786 nan 8.190 nan 0.000 0.448 646 E N 4.539 124.674 120.200 -0.109 0.000 2.277 646 E HA 0.706 5.056 4.350 -0.000 0.000 0.274 646 E C -0.812 175.755 176.600 -0.054 0.000 1.022 646 E CA -0.638 55.704 56.400 -0.097 0.000 0.853 646 E CB 3.052 32.724 29.700 -0.046 0.000 1.086 646 E HN 0.514 nan 8.360 nan 0.000 0.397 647 I N 1.323 121.883 120.570 -0.016 0.000 2.651 647 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 647 I C -0.053 176.211 176.117 0.244 0.000 1.244 647 I CA -0.356 61.003 61.300 0.098 0.000 1.061 647 I CB 1.340 39.389 38.000 0.082 0.000 1.286 647 I HN 0.666 nan 8.210 nan 0.000 0.434 648 G N 7.228 116.160 108.800 0.220 0.000 2.684 648 G HA2 0.371 4.331 3.960 -0.000 0.000 0.255 648 G HA3 0.371 4.331 3.960 -0.000 0.000 0.255 648 G C -2.663 172.433 174.900 0.326 0.000 1.219 648 G CA -0.752 44.499 45.100 0.251 0.000 0.901 648 G HN 0.401 nan 8.290 nan 0.000 0.548 649 P HA 0.301 nan 4.420 nan 0.000 0.276 649 P C -0.765 176.556 177.300 0.036 0.000 1.230 649 P CA 0.099 63.267 63.100 0.113 0.000 0.776 649 P CB 1.276 32.985 31.700 0.016 0.000 0.888 650 I N 3.024 123.456 120.570 -0.231 0.000 2.498 650 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 650 I C 1.266 177.238 176.117 -0.242 0.000 1.032 650 I CA -0.369 60.835 61.300 -0.160 0.000 1.073 650 I CB 2.392 40.305 38.000 -0.144 0.000 1.251 650 I HN 0.366 nan 8.210 nan 0.000 0.426 651 D N 5.403 125.740 120.400 -0.104 0.000 2.394 651 D HA 0.066 4.706 4.640 -0.000 0.000 0.226 651 D C 0.414 176.650 176.300 -0.107 0.000 0.990 651 D CA 0.397 54.327 54.000 -0.116 0.000 0.902 651 D CB 0.524 41.285 40.800 -0.065 0.000 1.038 651 D HN 0.379 nan 8.370 nan 0.000 0.499 652 R N -0.331 120.126 120.500 -0.072 0.000 2.698 652 R HA 0.675 5.015 4.340 -0.000 0.000 0.275 652 R C -0.964 175.224 176.300 -0.186 0.000 1.001 652 R CA -0.671 55.311 56.100 -0.197 0.000 0.896 652 R CB 2.535 32.678 30.300 -0.261 0.000 1.218 652 R HN -0.071 nan 8.270 nan 0.000 0.462 653 I N 2.770 123.152 120.570 -0.314 0.000 2.411 653 I HA 0.347 4.517 4.170 -0.000 0.000 0.284 653 I C -1.049 174.888 176.117 -0.299 0.000 1.012 653 I CA -0.480 60.717 61.300 -0.173 0.000 1.119 653 I CB 1.010 38.949 38.000 -0.102 0.000 1.261 653 I HN 0.375 nan 8.210 nan 0.000 0.448 654 F N 3.713 123.665 119.950 0.003 0.000 2.436 654 F HA 0.489 5.016 4.527 -0.000 0.000 0.340 654 F C 0.429 176.230 175.800 0.001 0.000 1.113 654 F CA -0.661 57.342 58.000 0.005 0.000 1.022 654 F CB 1.967 40.974 39.000 0.012 0.000 1.128 654 F HN 0.294 nan 8.300 nan 0.000 0.466 655 T N -0.062 114.584 114.554 0.153 0.000 3.038 655 T HA 0.344 4.694 4.350 -0.000 0.000 0.344 655 T C -0.524 174.218 174.700 0.071 0.000 1.054 655 T CA -0.992 61.159 62.100 0.085 0.000 1.092 655 T CB 0.894 69.787 68.868 0.041 0.000 1.031 655 T HN 0.526 nan 8.240 nan 0.000 0.482 656 R N 2.546 123.081 120.500 0.059 0.000 3.570 656 R HA 0.541 4.881 4.340 -0.000 0.000 0.233 656 R C -1.392 174.910 176.300 0.003 0.000 1.492 656 R CA -0.540 55.577 56.100 0.029 0.000 1.504 656 R CB -0.643 29.665 30.300 0.014 0.000 1.314 656 R HN 0.508 nan 8.270 nan 0.000 0.687 657 V N 2.370 122.289 119.914 0.010 0.000 2.445 657 V HA 0.846 4.966 4.120 -0.000 0.000 0.283 657 V C 0.117 176.214 176.094 0.005 0.000 1.014 657 V CA -0.176 62.126 62.300 0.003 0.000 0.852 657 V CB 1.227 33.057 31.823 0.013 0.000 1.021 657 V HN 0.730 nan 8.190 nan 0.000 0.435 670 F N 1.499 121.459 119.950 0.017 0.000 2.171 670 F HA -0.011 4.516 4.527 -0.000 0.000 0.300 670 F C 2.206 178.023 175.800 0.029 0.000 1.090 670 F CA 1.460 59.476 58.000 0.026 0.000 1.293 670 F CB -0.299 38.722 39.000 0.034 0.000 1.013 670 F HN 0.465 nan 8.300 nan 0.000 0.486 671 M N -0.072 119.522 119.600 -0.010 0.000 2.073 671 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 671 M C 2.257 178.479 176.300 -0.130 0.000 1.070 671 M CA 1.568 56.810 55.300 -0.097 0.000 1.103 671 M CB -1.144 31.465 32.600 0.015 0.000 1.321 671 M HN 0.097 nan 8.290 nan 0.000 0.405 672 V N -0.011 119.863 119.914 -0.067 0.000 2.343 672 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 672 V C 2.207 178.249 176.094 -0.085 0.000 1.051 672 V CA 1.723 63.990 62.300 -0.055 0.000 1.036 672 V CB -0.760 31.051 31.823 -0.020 0.000 0.654 672 V HN 0.489 nan 8.190 nan 0.000 0.451 673 E N -0.645 119.484 120.200 -0.117 0.000 2.085 673 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 673 E C 2.268 178.759 176.600 -0.181 0.000 0.994 673 E CA 1.380 57.704 56.400 -0.127 0.000 0.801 673 E CB -0.138 29.498 29.700 -0.105 0.000 0.743 673 E HN 0.386 nan 8.360 nan 0.000 0.453 674 M N -0.036 119.368 119.600 -0.328 0.000 2.254 674 M HA -0.074 4.406 4.480 -0.000 0.000 0.265 674 M C 2.260 178.478 176.300 -0.136 0.000 1.066 674 M CA 1.243 56.367 55.300 -0.294 0.000 1.123 674 M CB -0.908 31.405 32.600 -0.477 0.000 1.388 674 M HN 0.032 nan 8.290 nan 0.000 0.425 675 T N 0.626 115.114 114.554 -0.110 0.000 2.746 675 T HA -0.127 4.223 4.350 -0.000 0.000 0.267 675 T C 1.708 176.400 174.700 -0.014 0.000 1.039 675 T CA 1.291 63.364 62.100 -0.045 0.000 1.142 675 T CB -0.069 68.775 68.868 -0.039 0.000 0.866 675 T HN 0.459 nan 8.240 nan 0.000 0.444 676 E N 0.269 120.457 120.200 -0.020 0.000 2.208 676 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 676 E C 2.267 178.874 176.600 0.012 0.000 0.988 676 E CA 0.997 57.405 56.400 0.013 0.000 0.828 676 E CB -0.106 29.601 29.700 0.012 0.000 0.763 676 E HN 0.359 nan 8.360 nan 0.000 0.478 677 T N 0.747 115.288 114.554 -0.021 0.000 2.896 677 T HA -0.035 4.315 4.350 -0.000 0.000 0.263 677 T C 1.968 176.654 174.700 -0.023 0.000 1.050 677 T CA 0.928 63.011 62.100 -0.029 0.000 1.140 677 T CB -0.040 68.808 68.868 -0.034 0.000 0.877 677 T HN 0.208 nan 8.240 nan 0.000 0.457 678 A N 2.178 125.003 122.820 0.008 0.000 1.933 678 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 678 A C 2.240 179.920 177.584 0.159 0.000 1.175 678 A CA 1.567 53.651 52.037 0.079 0.000 0.628 678 A CB -0.684 18.385 19.000 0.115 0.000 0.814 678 A HN 0.528 nan 8.150 nan 0.000 0.444 679 N N 0.072 118.833 118.700 0.102 0.000 2.188 679 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 679 N C 1.742 177.275 175.510 0.038 0.000 1.018 679 N CA 1.451 54.575 53.050 0.123 0.000 0.858 679 N CB -0.175 38.390 38.487 0.129 0.000 0.989 679 N HN 0.512 nan 8.380 nan 0.000 0.426 680 I N 1.202 121.685 120.570 -0.145 0.000 2.179 680 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 680 I C 2.115 177.989 176.117 -0.405 0.000 1.088 680 I CA 0.891 61.824 61.300 -0.611 0.000 1.357 680 I CB -0.137 37.556 38.000 -0.511 0.000 1.051 680 I HN 0.123 nan 8.210 nan 0.000 0.409 681 L N -0.591 120.507 121.223 -0.208 0.000 2.291 681 L HA -0.161 4.179 4.340 -0.000 0.000 0.214 681 L C 2.363 179.119 176.870 -0.190 0.000 1.120 681 L CA 0.775 55.501 54.840 -0.191 0.000 0.799 681 L CB -0.725 41.229 42.059 -0.175 0.000 0.925 681 L HN 0.381 nan 8.230 nan 0.000 0.446 682 H N -0.117 118.907 119.070 -0.076 0.000 2.497 682 H HA 0.121 4.677 4.556 -0.000 0.000 0.282 682 H C 1.133 176.457 175.328 -0.007 0.000 1.003 682 H CA 0.830 56.860 56.048 -0.029 0.000 1.307 682 H CB 0.578 30.336 29.762 -0.007 0.000 1.437 682 H HN 0.412 nan 8.280 nan 0.000 0.544 683 N N -0.111 118.649 118.700 0.100 0.000 2.143 683 N HA 0.126 4.866 4.740 -0.000 0.000 0.222 683 N C 0.273 175.883 175.510 0.165 0.000 1.264 683 N CA 0.020 53.164 53.050 0.157 0.000 0.897 683 N CB 1.506 40.158 38.487 0.277 0.000 1.092 683 N HN 0.009 nan 8.380 nan 0.000 0.516 684 A N 1.471 124.262 122.820 -0.048 0.000 2.371 684 A HA 0.480 4.800 4.320 -0.000 0.000 0.257 684 A C 0.924 178.541 177.584 0.056 0.000 1.089 684 A CA 0.084 52.104 52.037 -0.028 0.000 0.794 684 A CB 0.352 19.179 19.000 -0.289 0.000 1.029 684 A HN 0.227 nan 8.150 nan 0.000 0.488 685 T N -1.516 113.113 114.554 0.124 0.000 2.804 685 T HA 0.451 4.800 4.350 -0.000 0.000 0.272 685 T C 0.766 175.497 174.700 0.052 0.000 0.986 685 T CA 0.239 62.402 62.100 0.105 0.000 0.999 685 T CB 0.909 69.891 68.868 0.190 0.000 1.307 685 T HN 0.721 nan 8.240 nan 0.000 0.586 686 E N -0.447 119.737 120.200 -0.026 0.000 2.478 686 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 686 E C 0.408 176.843 176.600 -0.274 0.000 1.045 686 E CA 0.353 56.644 56.400 -0.182 0.000 0.868 686 E CB -0.339 29.186 29.700 -0.291 0.000 0.885 686 E HN 0.786 nan 8.360 nan 0.000 0.505 687 Y N 1.098 121.413 120.300 0.025 0.000 2.457 687 Y HA 0.293 4.843 4.550 -0.000 0.000 0.263 687 Y C 0.796 176.714 175.900 0.031 0.000 1.164 687 Y CA -0.372 57.739 58.100 0.019 0.000 1.274 687 Y CB 0.689 39.147 38.460 -0.003 0.000 1.097 687 Y HN -0.116 nan 8.280 nan 0.000 0.523 688 S N 1.269 117.078 115.700 0.181 0.000 2.584 688 S HA 0.294 4.764 4.470 -0.000 0.000 0.273 688 S C -0.604 174.092 174.600 0.161 0.000 1.311 688 S CA -0.552 57.770 58.200 0.203 0.000 1.034 688 S CB 0.705 64.092 63.200 0.311 0.000 0.939 688 S HN 0.214 nan 8.310 nan 0.000 0.513 689 L N 5.236 126.557 121.223 0.162 0.000 2.264 689 L HA 0.608 4.948 4.340 -0.000 0.000 0.289 689 L C -1.055 175.939 176.870 0.207 0.000 1.044 689 L CA -0.039 54.880 54.840 0.133 0.000 0.807 689 L CB 0.847 42.954 42.059 0.079 0.000 1.192 689 L HN 0.380 nan 8.230 nan 0.000 0.425 690 V N 6.766 126.776 119.914 0.161 0.000 2.540 690 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 690 V C -0.360 175.800 176.094 0.111 0.000 1.035 690 V CA -0.527 61.872 62.300 0.166 0.000 0.873 690 V CB 1.835 33.700 31.823 0.070 0.000 0.992 690 V HN 0.608 nan 8.190 nan 0.000 0.428 691 L N 5.844 127.131 121.223 0.106 0.000 2.376 691 L HA 0.659 4.999 4.340 -0.000 0.000 0.275 691 L C -0.724 176.160 176.870 0.023 0.000 0.987 691 L CA -0.385 54.490 54.840 0.059 0.000 0.828 691 L CB 1.918 44.005 42.059 0.047 0.000 1.249 691 L HN 0.413 nan 8.230 nan 0.000 0.409 692 M N 2.656 122.237 119.600 -0.032 0.000 2.259 692 M HA 0.301 4.781 4.480 -0.000 0.000 0.304 692 M C -1.243 174.949 176.300 -0.179 0.000 1.019 692 M CA -0.497 54.719 55.300 -0.141 0.000 0.922 692 M CB 1.945 34.358 32.600 -0.311 0.000 1.600 692 M HN 0.384 nan 8.290 nan 0.000 0.433 693 D N 3.617 123.935 120.400 -0.136 0.000 2.477 693 D HA 0.254 4.894 4.640 -0.000 0.000 0.239 693 D C -0.543 175.681 176.300 -0.125 0.000 1.102 693 D CA 0.287 54.222 54.000 -0.108 0.000 0.901 693 D CB 0.488 41.255 40.800 -0.055 0.000 1.026 693 D HN 0.666 nan 8.370 nan 0.000 0.515 694 E N 2.340 122.445 120.200 -0.159 0.000 2.369 694 E HA -0.215 4.135 4.350 -0.000 0.000 0.165 694 E C 0.143 176.713 176.600 -0.050 0.000 1.622 694 E CA 0.279 56.619 56.400 -0.100 0.000 0.660 694 E CB -1.133 28.494 29.700 -0.122 0.000 1.085 694 E HN 0.632 nan 8.360 nan 0.000 0.346 695 I N -2.228 118.330 120.570 -0.020 0.000 2.474 695 I HA 0.545 4.715 4.170 -0.000 0.000 0.287 695 I C 1.341 177.666 176.117 0.345 0.000 1.048 695 I CA 0.497 61.867 61.300 0.116 0.000 1.383 695 I CB 1.396 39.438 38.000 0.069 0.000 1.412 695 I HN 0.369 nan 8.210 nan 0.000 0.531 696 G N 5.080 114.131 108.800 0.418 0.000 2.481 696 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.200 696 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.200 696 G C 0.362 175.481 174.900 0.366 0.000 1.012 696 G CA -0.590 44.849 45.100 0.564 0.000 0.676 696 G HN 0.688 nan 8.290 nan 0.000 0.488 697 R N 0.695 121.284 120.500 0.149 0.000 2.522 697 R HA 0.437 4.777 4.340 -0.000 0.000 0.284 697 R C 1.430 177.779 176.300 0.082 0.000 1.032 697 R CA 1.524 57.624 56.100 -0.000 0.000 1.049 697 R CB 0.565 30.762 30.300 -0.172 0.000 0.956 697 R HN 1.384 nan 8.270 nan 0.000 0.422 698 G N 0.766 109.566 108.800 -0.001 0.000 2.211 698 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.201 698 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.201 698 G C 0.214 174.936 174.900 -0.296 0.000 0.997 698 G CA 0.053 45.123 45.100 -0.049 0.000 0.652 698 G HN 0.691 nan 8.290 nan 0.000 0.500 699 T N -0.261 114.072 114.554 -0.369 0.000 2.778 699 T HA 0.650 5.000 4.350 -0.000 0.000 0.293 699 T C 0.536 175.148 174.700 -0.147 0.000 1.144 699 T CA 0.954 62.799 62.100 -0.424 0.000 1.010 699 T CB 1.215 69.551 68.868 -0.887 0.000 1.325 699 T HN 1.434 nan 8.240 nan 0.000 0.515 700 S N 0.974 116.611 115.700 -0.104 0.000 2.560 700 S HA 0.124 4.594 4.470 -0.000 0.000 0.284 700 S C 1.511 176.143 174.600 0.054 0.000 1.327 700 S CA 0.710 58.893 58.200 -0.029 0.000 1.055 700 S CB 0.168 63.348 63.200 -0.032 0.000 0.868 700 S HN 0.799 nan 8.310 nan 0.000 0.506 701 T N 3.287 117.881 114.554 0.067 0.000 2.616 701 T HA -0.247 4.103 4.350 -0.000 0.000 0.261 701 T C 1.190 176.014 174.700 0.208 0.000 1.105 701 T CA 2.559 64.754 62.100 0.158 0.000 1.159 701 T CB -0.835 68.032 68.868 -0.003 0.000 0.856 701 T HN 0.773 nan 8.240 nan 0.000 0.449 702 Y N 1.332 121.633 120.300 0.001 0.000 2.231 702 Y HA 0.039 4.589 4.550 -0.000 0.000 0.294 702 Y C 2.607 178.474 175.900 -0.055 0.000 1.120 702 Y CA -0.134 57.937 58.100 -0.049 0.000 1.141 702 Y CB -0.947 37.489 38.460 -0.040 0.000 1.022 702 Y HN 0.230 nan 8.280 nan 0.000 0.523 703 D N -0.523 119.964 120.400 0.146 0.000 2.158 703 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 703 D C 2.294 178.650 176.300 0.094 0.000 0.995 703 D CA 1.596 55.647 54.000 0.085 0.000 0.846 703 D CB -0.425 40.406 40.800 0.051 0.000 0.941 703 D HN 0.442 nan 8.370 nan 0.000 0.456 704 G N 0.723 109.587 108.800 0.107 0.000 2.396 704 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.214 704 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.214 704 G C 1.597 176.454 174.900 -0.072 0.000 1.166 704 G CA 0.212 45.431 45.100 0.198 0.000 0.793 704 G HN 0.226 nan 8.290 nan 0.000 0.533 705 L N 1.319 122.290 121.223 -0.421 0.000 2.083 705 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 705 L C 2.603 179.345 176.870 -0.213 0.000 1.083 705 L CA 2.237 56.617 54.840 -0.767 0.000 0.752 705 L CB -0.594 41.164 42.059 -0.502 0.000 0.899 705 L HN 0.133 nan 8.230 nan 0.000 0.433 706 S N -0.695 114.953 115.700 -0.086 0.000 2.406 706 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 706 S C 1.886 176.533 174.600 0.078 0.000 1.020 706 S CA 1.111 59.298 58.200 -0.022 0.000 0.965 706 S CB -0.258 62.913 63.200 -0.049 0.000 0.798 706 S HN 0.447 nan 8.310 nan 0.000 0.488 707 L N 0.780 122.072 121.223 0.114 0.000 2.240 707 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 707 L C 2.604 179.609 176.870 0.225 0.000 1.106 707 L CA 0.813 55.755 54.840 0.170 0.000 0.793 707 L CB -0.448 41.746 42.059 0.224 0.000 0.927 707 L HN 0.311 nan 8.230 nan 0.000 0.446 708 A N -0.519 122.459 122.820 0.264 0.000 1.872 708 A HA -0.237 4.083 4.320 -0.000 0.000 0.214 708 A C 2.128 179.846 177.584 0.224 0.000 1.187 708 A CA 0.938 53.231 52.037 0.427 0.000 0.614 708 A CB -0.994 18.331 19.000 0.542 0.000 0.826 708 A HN 0.581 nan 8.150 nan 0.000 0.442 709 W N 0.880 122.164 121.300 -0.027 0.000 2.318 709 W HA -0.269 4.391 4.660 -0.000 0.000 0.313 709 W C 2.371 178.821 176.519 -0.114 0.000 1.221 709 W CA 2.546 59.822 57.345 -0.115 0.000 1.266 709 W CB -0.466 28.921 29.460 -0.122 0.000 1.150 709 W HN 0.422 nan 8.180 nan 0.000 0.496 710 A N -0.720 122.234 122.820 0.223 0.000 1.968 710 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 710 A C 2.139 179.744 177.584 0.035 0.000 1.169 710 A CA 1.641 53.756 52.037 0.130 0.000 0.638 710 A CB -1.330 17.730 19.000 0.101 0.000 0.812 710 A HN 0.320 nan 8.150 nan 0.000 0.446 711 C N -1.059 118.274 119.300 0.056 0.000 2.446 711 C HA 0.100 4.560 4.460 -0.000 0.000 0.277 711 C C 3.311 178.255 174.990 -0.077 0.000 1.275 711 C CA 0.769 59.822 59.018 0.058 0.000 1.727 711 C CB -1.209 26.678 27.740 0.246 0.000 2.010 711 C HN 0.701 nan 8.230 nan 0.000 0.486 712 A N 0.577 123.183 122.820 -0.357 0.000 1.858 712 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 712 A C 2.050 179.414 177.584 -0.366 0.000 1.190 712 A CA 1.603 53.252 52.037 -0.647 0.000 0.617 712 A CB -0.668 17.612 19.000 -1.200 0.000 0.827 712 A HN 0.670 nan 8.150 nan 0.000 0.443 713 E N -0.513 119.499 120.200 -0.314 0.000 2.068 713 E HA -0.307 4.043 4.350 -0.000 0.000 0.207 713 E C 1.979 178.512 176.600 -0.111 0.000 1.032 713 E CA 1.774 58.069 56.400 -0.175 0.000 0.839 713 E CB -0.373 29.291 29.700 -0.060 0.000 0.758 713 E HN 0.722 nan 8.360 nan 0.000 0.457 714 N N 0.232 118.882 118.700 -0.084 0.000 2.205 714 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 714 N C 1.788 177.253 175.510 -0.076 0.000 1.015 714 N CA 0.682 53.693 53.050 -0.066 0.000 0.862 714 N CB 0.019 38.473 38.487 -0.055 0.000 0.986 714 N HN 0.055 nan 8.380 nan 0.000 0.429 715 L N -0.917 120.255 121.223 -0.086 0.000 2.307 715 L HA 0.181 4.521 4.340 -0.000 0.000 0.211 715 L C 2.153 178.976 176.870 -0.078 0.000 1.099 715 L CA 0.681 55.477 54.840 -0.073 0.000 0.816 715 L CB -0.139 41.895 42.059 -0.042 0.000 0.952 715 L HN 0.210 nan 8.230 nan 0.000 0.455 716 A N -0.267 122.490 122.820 -0.104 0.000 1.903 716 A HA -0.080 4.240 4.320 -0.000 0.000 0.213 716 A C 1.912 179.448 177.584 -0.081 0.000 1.185 716 A CA 1.276 53.254 52.037 -0.099 0.000 0.628 716 A CB -0.348 18.572 19.000 -0.135 0.000 0.830 716 A HN 0.425 nan 8.150 nan 0.000 0.446 717 N N -1.292 117.361 118.700 -0.078 0.000 2.349 717 N HA -0.032 4.708 4.740 -0.000 0.000 0.180 717 N C 1.849 177.328 175.510 -0.051 0.000 1.024 717 N CA 0.620 53.634 53.050 -0.060 0.000 0.869 717 N CB 0.083 38.539 38.487 -0.053 0.000 1.022 717 N HN 0.202 nan 8.380 nan 0.000 0.433 718 K N 1.837 122.205 120.400 -0.052 0.000 2.054 718 K HA 0.107 4.427 4.320 -0.000 0.000 0.207 718 K C 1.961 178.532 176.600 -0.047 0.000 1.031 718 K CA 0.610 56.870 56.287 -0.045 0.000 0.952 718 K CB -0.327 32.146 32.500 -0.045 0.000 0.775 718 K HN 0.022 nan 8.250 nan 0.000 0.447 719 I N 1.699 122.237 120.570 -0.054 0.000 2.179 719 I HA -0.240 3.929 4.170 -0.000 0.000 0.242 719 I C 0.622 176.706 176.117 -0.055 0.000 1.088 719 I CA 1.241 62.510 61.300 -0.051 0.000 1.357 719 I CB -0.055 37.908 38.000 -0.062 0.000 1.051 719 I HN 0.275 nan 8.210 nan 0.000 0.409 720 K N -0.402 119.962 120.400 -0.061 0.000 3.281 720 K HA -0.162 4.158 4.320 -0.000 0.000 0.295 720 K C 0.230 176.792 176.600 -0.065 0.000 1.233 720 K CA 0.588 56.834 56.287 -0.068 0.000 0.866 720 K CB -2.336 30.116 32.500 -0.081 0.000 1.265 720 K HN 0.415 nan 8.250 nan 0.000 0.482 721 A N 1.104 123.898 122.820 -0.043 0.000 2.445 721 A HA 0.350 4.670 4.320 -0.000 0.000 0.242 721 A C 0.870 178.452 177.584 -0.004 0.000 1.075 721 A CA -0.291 51.738 52.037 -0.014 0.000 0.777 721 A CB 0.219 19.223 19.000 0.005 0.000 1.013 721 A HN 0.302 nan 8.150 nan 0.000 0.493 722 L N 2.369 123.600 121.223 0.014 0.000 2.500 722 L HA 0.213 4.553 4.340 -0.000 0.000 0.272 722 L C 0.091 176.989 176.870 0.047 0.000 1.149 722 L CA 0.331 55.186 54.840 0.026 0.000 0.897 722 L CB -0.345 41.735 42.059 0.034 0.000 1.178 722 L HN 0.666 nan 8.230 nan 0.000 0.473 723 T N 4.695 119.279 114.554 0.050 0.000 2.881 723 T HA 0.498 4.848 4.350 -0.000 0.000 0.290 723 T C -0.160 174.604 174.700 0.105 0.000 1.000 723 T CA -0.528 61.621 62.100 0.082 0.000 0.978 723 T CB 1.651 70.574 68.868 0.092 0.000 0.997 723 T HN 0.305 nan 8.240 nan 0.000 0.443 724 L N 3.550 124.840 121.223 0.112 0.000 2.264 724 L HA 0.492 4.832 4.340 -0.000 0.000 0.287 724 L C -0.684 176.289 176.870 0.172 0.000 1.039 724 L CA -0.686 54.238 54.840 0.141 0.000 0.829 724 L CB 0.366 42.490 42.059 0.108 0.000 1.211 724 L HN 0.615 nan 8.230 nan 0.000 0.427 725 F N 3.684 123.662 119.950 0.047 0.000 2.309 725 F HA 0.528 5.055 4.527 -0.000 0.000 0.366 725 F C 0.652 176.489 175.800 0.063 0.000 1.104 725 F CA -0.706 57.318 58.000 0.041 0.000 1.179 725 F CB 0.706 39.711 39.000 0.008 0.000 1.437 725 F HN 0.491 nan 8.300 nan 0.000 0.528 726 A N 4.556 127.352 122.820 -0.040 0.000 2.396 726 A HA 0.505 4.825 4.320 -0.000 0.000 0.279 726 A C 0.160 177.722 177.584 -0.036 0.000 1.165 726 A CA 0.035 52.082 52.037 0.016 0.000 0.824 726 A CB 0.325 19.326 19.000 0.002 0.000 1.100 726 A HN 0.637 nan 8.150 nan 0.000 0.516 727 T N 0.130 114.759 114.554 0.124 0.000 2.907 727 T HA 0.507 4.857 4.350 -0.000 0.000 0.290 727 T C 0.940 175.751 174.700 0.185 0.000 1.066 727 T CA -0.259 61.949 62.100 0.181 0.000 1.012 727 T CB 0.755 69.848 68.868 0.375 0.000 1.184 727 T HN 0.810 nan 8.240 nan 0.000 0.522 728 H N 0.739 119.763 119.070 -0.076 0.000 2.654 728 H HA 0.197 4.753 4.556 -0.000 0.000 0.264 728 H C -0.465 174.856 175.328 -0.010 0.000 0.954 728 H CA -0.093 55.907 56.048 -0.079 0.000 1.199 728 H CB -0.551 29.100 29.762 -0.186 0.000 1.446 728 H HN 0.437 nan 8.280 nan 0.000 0.516 729 Y N 1.384 121.465 120.300 -0.366 0.000 2.537 729 Y HA 0.033 4.583 4.550 -0.000 0.000 0.339 729 Y C 1.180 177.099 175.900 0.031 0.000 1.066 729 Y CA -0.410 57.557 58.100 -0.222 0.000 1.357 729 Y CB 0.055 38.442 38.460 -0.123 0.000 1.175 729 Y HN 0.096 nan 8.280 nan 0.000 0.525 730 F N 2.021 122.040 119.950 0.115 0.000 2.367 730 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 730 F C 1.554 177.422 175.800 0.114 0.000 1.094 730 F CA 1.063 59.117 58.000 0.090 0.000 1.409 730 F CB 0.117 39.151 39.000 0.057 0.000 1.064 730 F HN 0.490 nan 8.300 nan 0.000 0.528 731 E N 0.705 120.972 120.200 0.112 0.000 2.204 731 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 731 E C 2.094 178.743 176.600 0.082 0.000 0.990 731 E CA 1.014 57.464 56.400 0.083 0.000 0.821 731 E CB -0.382 29.435 29.700 0.194 0.000 0.750 731 E HN 0.452 nan 8.360 nan 0.000 0.477 732 L N 0.737 121.979 121.223 0.032 0.000 2.551 732 L HA -0.082 4.258 4.340 -0.000 0.000 0.228 732 L C 1.883 178.578 176.870 -0.293 0.000 1.153 732 L CA 1.225 55.977 54.840 -0.146 0.000 0.851 732 L CB -0.394 41.652 42.059 -0.022 0.000 0.959 732 L HN 0.321 nan 8.230 nan 0.000 0.451 733 T N -4.854 109.497 114.554 -0.338 0.000 3.113 733 T HA -0.070 4.279 4.350 -0.000 0.000 0.256 733 T C 1.554 176.083 174.700 -0.285 0.000 1.131 733 T CA 0.125 62.024 62.100 -0.335 0.000 1.074 733 T CB 0.006 68.604 68.868 -0.450 0.000 0.944 733 T HN 0.235 nan 8.240 nan 0.000 0.516 734 Q N 0.479 120.132 119.800 -0.245 0.000 2.472 734 Q HA 0.267 4.607 4.340 -0.000 0.000 0.208 734 Q C 2.083 178.006 176.000 -0.128 0.000 0.958 734 Q CA 0.148 55.888 55.803 -0.104 0.000 0.932 734 Q CB -0.332 28.441 28.738 0.059 0.000 1.007 734 Q HN 0.535 nan 8.270 nan 0.000 0.508 735 L N 0.932 121.955 121.223 -0.334 0.000 1.955 735 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 735 L C -0.533 176.206 176.870 -0.219 0.000 1.072 735 L CA 1.637 56.230 54.840 -0.412 0.000 0.755 735 L CB -1.776 39.926 42.059 -0.594 0.000 0.888 735 L HN 0.113 nan 8.230 nan 0.000 0.432 736 P HA -0.211 nan 4.420 nan 0.000 0.219 736 P C 1.140 178.396 177.300 -0.072 0.000 1.145 736 P CA 1.474 64.508 63.100 -0.110 0.000 0.813 736 P CB 0.044 31.694 31.700 -0.084 0.000 0.771 737 E N -0.620 119.543 120.200 -0.061 0.000 2.033 737 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 737 E C 1.762 178.350 176.600 -0.020 0.000 0.979 737 E CA 0.733 57.115 56.400 -0.030 0.000 0.802 737 E CB -0.175 29.517 29.700 -0.014 0.000 0.763 737 E HN 0.200 nan 8.360 nan 0.000 0.449 738 K N 0.131 120.524 120.400 -0.012 0.000 2.515 738 K HA -0.030 4.290 4.320 -0.000 0.000 0.196 738 K C 0.682 177.274 176.600 -0.013 0.000 1.038 738 K CA 0.656 56.955 56.287 0.018 0.000 0.967 738 K CB 0.039 32.602 32.500 0.104 0.000 0.780 738 K HN 0.269 nan 8.250 nan 0.000 0.483 739 M N -1.365 118.204 119.600 -0.050 0.000 2.534 739 M HA 0.322 4.802 4.480 -0.000 0.000 0.280 739 M C -0.861 175.402 176.300 -0.060 0.000 1.217 739 M CA -0.941 54.325 55.300 -0.056 0.000 0.893 739 M CB 1.997 34.550 32.600 -0.079 0.000 1.730 739 M HN -0.333 nan 8.290 nan 0.000 0.483 740 E N 0.868 121.038 120.200 -0.049 0.000 2.354 740 E HA 0.403 4.753 4.350 -0.000 0.000 0.269 740 E C 0.970 177.538 176.600 -0.053 0.000 1.036 740 E CA 1.626 58.000 56.400 -0.043 0.000 0.876 740 E CB 1.151 30.831 29.700 -0.034 0.000 1.009 740 E HN 0.938 nan 8.360 nan 0.000 0.416 741 G N 2.743 111.516 108.800 -0.045 0.000 2.179 741 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 741 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 741 G C 0.010 174.879 174.900 -0.053 0.000 0.977 741 G CA 0.326 45.400 45.100 -0.044 0.000 0.641 741 G HN 0.422 nan 8.290 nan 0.000 0.533 742 V N 0.542 120.414 119.914 -0.069 0.000 2.483 742 V HA 0.866 4.986 4.120 -0.000 0.000 0.295 742 V C 0.518 176.576 176.094 -0.060 0.000 1.035 742 V CA -0.054 62.196 62.300 -0.083 0.000 0.896 742 V CB 1.590 33.328 31.823 -0.142 0.000 0.986 742 V HN 1.276 nan 8.190 nan 0.000 0.447 743 A N 3.776 126.573 122.820 -0.038 0.000 2.454 743 A HA 0.744 5.064 4.320 -0.000 0.000 0.302 743 A C -0.669 176.913 177.584 -0.004 0.000 1.079 743 A CA -0.804 51.223 52.037 -0.016 0.000 0.731 743 A CB 1.372 20.377 19.000 0.007 0.000 1.299 743 A HN 0.674 nan 8.150 nan 0.000 0.413 744 N N 0.538 119.241 118.700 0.006 0.000 2.426 744 N HA 0.525 5.265 4.740 -0.000 0.000 0.275 744 N C -0.469 175.086 175.510 0.075 0.000 1.019 744 N CA 0.030 53.099 53.050 0.031 0.000 0.941 744 N CB 1.680 40.175 38.487 0.013 0.000 1.123 744 N HN 0.782 nan 8.380 nan 0.000 0.486 745 V N 0.184 120.156 119.914 0.097 0.000 3.074 745 V HA 0.722 4.842 4.120 -0.000 0.000 0.314 745 V C -0.531 175.665 176.094 0.171 0.000 1.117 745 V CA -0.742 61.621 62.300 0.106 0.000 1.014 745 V CB 2.419 34.264 31.823 0.037 0.000 1.057 745 V HN 0.843 nan 8.190 nan 0.000 0.438 746 H N 1.518 120.594 119.070 0.009 0.000 2.990 746 H HA 0.681 5.237 4.556 -0.000 0.000 0.343 746 H C -2.079 173.250 175.328 0.002 0.000 1.270 746 H CA -1.177 54.888 56.048 0.029 0.000 1.118 746 H CB 1.889 31.698 29.762 0.079 0.000 1.861 746 H HN 0.746 nan 8.280 nan 0.000 0.544 747 L N 1.920 123.178 121.223 0.059 0.000 2.322 747 L HA 0.292 4.632 4.340 -0.000 0.000 0.279 747 L C -0.305 176.689 176.870 0.207 0.000 1.036 747 L CA -0.659 54.188 54.840 0.012 0.000 0.807 747 L CB 1.546 43.632 42.059 0.044 0.000 1.226 747 L HN 0.732 nan 8.230 nan 0.000 0.433 748 D N 1.515 121.988 120.400 0.122 0.000 2.525 748 D HA 0.784 5.424 4.640 -0.000 0.000 0.249 748 D C -1.007 175.322 176.300 0.050 0.000 1.072 748 D CA -0.734 53.393 54.000 0.212 0.000 1.067 748 D CB 1.856 42.795 40.800 0.231 0.000 1.282 748 D HN 0.535 nan 8.370 nan 0.000 0.587 749 A N -0.322 122.458 122.820 -0.067 0.000 2.449 749 A HA 0.586 4.906 4.320 -0.000 0.000 0.302 749 A C -1.651 175.851 177.584 -0.137 0.000 1.048 749 A CA -0.774 51.090 52.037 -0.290 0.000 0.708 749 A CB 1.229 19.690 19.000 -0.898 0.000 1.274 749 A HN 0.467 nan 8.150 nan 0.000 0.410 750 L N 1.084 122.226 121.223 -0.136 0.000 2.295 750 L HA 0.540 4.880 4.340 -0.000 0.000 0.285 750 L C -0.073 176.746 176.870 -0.086 0.000 1.035 750 L CA 0.136 54.948 54.840 -0.046 0.000 0.806 750 L CB 1.342 43.402 42.059 0.002 0.000 1.214 750 L HN 0.763 nan 8.230 nan 0.000 0.426 751 E N 3.006 123.178 120.200 -0.047 0.000 2.134 751 E HA 0.420 4.770 4.350 -0.000 0.000 0.278 751 E C -1.364 175.212 176.600 -0.040 0.000 0.959 751 E CA -0.364 55.969 56.400 -0.112 0.000 0.783 751 E CB 0.750 30.412 29.700 -0.063 0.000 1.095 751 E HN 0.707 nan 8.360 nan 0.000 0.399 752 H N 1.251 120.277 119.070 -0.073 0.000 2.946 752 H HA 0.711 5.267 4.556 -0.000 0.000 0.365 752 H C 0.818 176.115 175.328 -0.051 0.000 1.197 752 H CA -0.476 55.538 56.048 -0.056 0.000 1.131 752 H CB 0.893 30.619 29.762 -0.060 0.000 1.849 752 H HN 0.563 nan 8.280 nan 0.000 0.555 753 G N 1.275 110.140 108.800 0.109 0.000 2.684 753 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.332 753 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.332 753 G C 0.082 174.960 174.900 -0.036 0.000 1.306 753 G CA 1.169 46.302 45.100 0.054 0.000 1.002 753 G HN 1.247 nan 8.290 nan 0.000 0.545 754 D N -0.299 120.068 120.400 -0.054 0.000 2.891 754 D HA 0.473 5.113 4.640 -0.000 0.000 0.332 754 D C 0.702 176.934 176.300 -0.114 0.000 1.369 754 D CA 0.814 54.769 54.000 -0.076 0.000 0.827 754 D CB 0.256 41.033 40.800 -0.039 0.000 1.141 754 D HN 0.845 nan 8.370 nan 0.000 0.464 755 T N -2.405 112.018 114.554 -0.218 0.000 2.633 755 T HA 0.664 5.013 4.350 -0.000 0.000 0.262 755 T C -0.778 173.656 174.700 -0.443 0.000 0.920 755 T CA -0.964 60.977 62.100 -0.266 0.000 1.062 755 T CB 1.421 70.168 68.868 -0.201 0.000 1.390 755 T HN 0.166 nan 8.240 nan 0.000 0.549 756 I N 0.056 120.343 120.570 -0.473 0.000 2.680 756 I HA 0.634 4.804 4.170 -0.000 0.000 0.291 756 I C -1.483 174.282 176.117 -0.587 0.000 1.244 756 I CA -1.241 59.708 61.300 -0.584 0.000 1.042 756 I CB 1.830 39.487 38.000 -0.572 0.000 1.277 756 I HN 1.037 nan 8.210 nan 0.000 0.423 757 A N 6.964 129.516 122.820 -0.446 0.000 2.280 757 A HA 0.550 4.870 4.320 -0.000 0.000 0.320 757 A C -1.039 176.317 177.584 -0.380 0.000 1.366 757 A CA -0.292 51.590 52.037 -0.259 0.000 0.938 757 A CB -0.197 18.813 19.000 0.016 0.000 1.157 757 A HN 0.534 nan 8.150 nan 0.000 0.536 758 F N 4.062 123.912 119.950 -0.167 0.000 2.541 758 F HA 0.132 4.659 4.527 -0.000 0.000 0.347 758 F C 0.933 176.590 175.800 -0.237 0.000 1.242 758 F CA -0.268 57.618 58.000 -0.189 0.000 1.123 758 F CB -0.024 38.901 39.000 -0.124 0.000 1.354 758 F HN 0.443 nan 8.300 nan 0.000 0.621 759 M N 2.775 122.351 119.600 -0.039 0.000 2.250 759 M HA -0.019 4.461 4.480 -0.000 0.000 0.325 759 M C 0.923 177.250 176.300 0.046 0.000 1.084 759 M CA 0.750 56.001 55.300 -0.082 0.000 1.161 759 M CB 0.064 32.636 32.600 -0.047 0.000 1.481 759 M HN 0.607 nan 8.290 nan 0.000 0.449 760 H N -0.897 118.120 119.070 -0.088 0.000 2.512 760 H HA 0.241 4.797 4.556 -0.000 0.000 0.276 760 H C -0.137 175.101 175.328 -0.149 0.000 1.126 760 H CA -0.357 55.615 56.048 -0.127 0.000 1.060 760 H CB 0.787 30.432 29.762 -0.195 0.000 1.646 760 H HN 0.523 nan 8.280 nan 0.000 0.571 761 S N 1.921 117.606 115.700 -0.025 0.000 2.430 761 S HA 0.167 4.637 4.470 -0.000 0.000 0.289 761 S C 0.244 174.741 174.600 -0.171 0.000 1.143 761 S CA -0.557 57.590 58.200 -0.087 0.000 1.067 761 S CB 0.677 63.835 63.200 -0.071 0.000 0.964 761 S HN 0.089 nan 8.310 nan 0.000 0.485 762 V N 6.555 126.317 119.914 -0.254 0.000 2.555 762 V HA 0.318 4.438 4.120 -0.000 0.000 0.286 762 V C 0.450 176.398 176.094 -0.244 0.000 1.044 762 V CA -0.057 62.035 62.300 -0.346 0.000 1.026 762 V CB 0.719 32.155 31.823 -0.645 0.000 0.981 762 V HN 0.863 nan 8.190 nan 0.000 0.480 763 Q N 2.688 122.323 119.800 -0.274 0.000 2.615 763 Q HA 0.495 4.835 4.340 -0.000 0.000 0.298 763 Q C -1.529 174.416 176.000 -0.090 0.000 1.023 763 Q CA -1.088 54.614 55.803 -0.169 0.000 0.768 763 Q CB 1.895 30.540 28.738 -0.156 0.000 1.500 763 Q HN 0.548 nan 8.270 nan 0.000 0.441 764 D N 0.080 120.485 120.400 0.009 0.000 2.382 764 D HA 0.470 5.109 4.640 -0.000 0.000 0.240 764 D C 0.601 177.019 176.300 0.197 0.000 1.146 764 D CA 1.575 55.623 54.000 0.080 0.000 0.897 764 D CB 0.740 41.576 40.800 0.060 0.000 1.197 764 D HN 0.870 nan 8.370 nan 0.000 0.432 765 G N -0.564 108.350 108.800 0.189 0.000 2.662 765 G HA2 0.291 4.251 3.960 -0.000 0.000 0.686 765 G HA3 0.291 4.251 3.960 -0.000 0.000 0.686 765 G C -0.528 174.485 174.900 0.188 0.000 1.271 765 G CA -0.405 44.799 45.100 0.173 0.000 0.816 765 G HN 0.679 nan 8.290 nan 0.000 0.608 766 A N 0.250 123.087 122.820 0.027 0.000 2.351 766 A HA 0.927 5.247 4.320 -0.000 0.000 0.257 766 A C 1.165 178.573 177.584 -0.293 0.000 1.087 766 A CA 1.033 53.064 52.037 -0.011 0.000 0.798 766 A CB 0.522 19.557 19.000 0.059 0.000 1.033 766 A HN 2.615 nan 8.150 nan 0.000 0.488 767 A N 1.134 123.849 122.820 -0.175 0.000 2.546 767 A HA 0.408 4.728 4.320 -0.000 0.000 0.243 767 A C 1.190 178.721 177.584 -0.087 0.000 1.063 767 A CA 0.590 52.497 52.037 -0.216 0.000 0.757 767 A CB -0.139 18.928 19.000 0.113 0.000 0.991 767 A HN 1.946 nan 8.150 nan 0.000 0.503 768 S N 1.452 117.061 115.700 -0.151 0.000 2.578 768 S HA 0.304 4.774 4.470 -0.000 0.000 0.231 768 S C 0.286 174.792 174.600 -0.156 0.000 0.994 768 S CA -0.203 57.921 58.200 -0.128 0.000 0.956 768 S CB -0.100 63.045 63.200 -0.092 0.000 0.870 768 S HN 0.684 nan 8.310 nan 0.000 0.494 769 K N 0.918 121.228 120.400 -0.150 0.000 2.512 769 K HA 0.596 4.916 4.320 -0.000 0.000 0.263 769 K C -1.050 175.305 176.600 -0.410 0.000 0.966 769 K CA -0.655 55.452 56.287 -0.302 0.000 0.851 769 K CB 2.264 34.552 32.500 -0.354 0.000 1.395 769 K HN 0.282 nan 8.250 nan 0.000 0.440 770 S N -0.273 115.105 115.700 -0.537 0.000 2.689 770 S HA 0.521 4.991 4.470 -0.000 0.000 0.306 770 S C -0.462 173.723 174.600 -0.692 0.000 1.104 770 S CA -0.524 57.423 58.200 -0.421 0.000 0.973 770 S CB 0.728 63.826 63.200 -0.169 0.000 1.121 770 S HN 0.709 nan 8.310 nan 0.000 0.523 771 Y N -1.148 119.205 120.300 0.088 0.000 2.729 771 Y HA 0.362 4.912 4.550 -0.000 0.000 0.266 771 Y C 2.122 178.091 175.900 0.115 0.000 1.064 771 Y CA -0.266 57.912 58.100 0.129 0.000 1.251 771 Y CB -0.073 38.549 38.460 0.270 0.000 1.379 771 Y HN 0.802 nan 8.280 nan 0.000 0.569 772 G N 0.724 109.626 108.800 0.170 0.000 2.432 772 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 772 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 772 G C 1.517 176.468 174.900 0.085 0.000 1.135 772 G CA 0.987 46.157 45.100 0.116 0.000 0.767 772 G HN 0.301 nan 8.290 nan 0.000 0.550 773 L N 0.451 121.709 121.223 0.058 0.000 2.072 773 L HA 0.008 4.347 4.340 -0.000 0.000 0.205 773 L C 3.372 180.273 176.870 0.052 0.000 1.079 773 L CA 0.968 55.831 54.840 0.037 0.000 0.752 773 L CB -0.522 41.542 42.059 0.009 0.000 0.906 773 L HN 0.299 nan 8.230 nan 0.000 0.436 774 A N -0.245 122.623 122.820 0.080 0.000 1.972 774 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 774 A C 2.313 179.949 177.584 0.085 0.000 1.169 774 A CA 1.572 53.661 52.037 0.086 0.000 0.635 774 A CB -0.601 18.488 19.000 0.148 0.000 0.810 774 A HN 0.218 nan 8.150 nan 0.000 0.446 775 V N -0.556 119.434 119.914 0.127 0.000 2.407 775 V HA -0.119 4.001 4.120 -0.000 0.000 0.245 775 V C 3.012 179.150 176.094 0.074 0.000 1.041 775 V CA 1.565 63.940 62.300 0.125 0.000 1.040 775 V CB -1.024 30.905 31.823 0.177 0.000 0.671 775 V HN 0.583 nan 8.190 nan 0.000 0.455 776 A N 0.250 123.107 122.820 0.061 0.000 1.940 776 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 776 A C 2.429 180.029 177.584 0.027 0.000 1.176 776 A CA 2.130 54.190 52.037 0.038 0.000 0.631 776 A CB -0.775 18.244 19.000 0.031 0.000 0.814 776 A HN 0.555 nan 8.150 nan 0.000 0.446 777 A N 0.102 122.937 122.820 0.026 0.000 1.865 777 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 777 A C 2.078 179.667 177.584 0.009 0.000 1.191 777 A CA 1.648 53.694 52.037 0.014 0.000 0.623 777 A CB -0.752 18.254 19.000 0.010 0.000 0.826 777 A HN 0.514 nan 8.150 nan 0.000 0.444 778 L N -1.038 120.191 121.223 0.010 0.000 2.362 778 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 778 L C 2.566 179.442 176.870 0.010 0.000 1.134 778 L CA 0.709 55.550 54.840 0.002 0.000 0.807 778 L CB -0.448 41.608 42.059 -0.005 0.000 0.927 778 L HN 0.442 nan 8.230 nan 0.000 0.447 779 A N -0.141 122.690 122.820 0.018 0.000 2.275 779 A HA 0.361 4.681 4.320 -0.000 0.000 0.212 779 A C 1.626 179.217 177.584 0.012 0.000 1.201 779 A CA 0.580 52.627 52.037 0.017 0.000 0.843 779 A CB -0.232 18.782 19.000 0.023 0.000 0.873 779 A HN 0.460 nan 8.150 nan 0.000 0.492 780 G N -0.443 108.362 108.800 0.009 0.000 2.248 780 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.263 780 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.263 780 G C 0.030 174.934 174.900 0.006 0.000 1.082 780 G CA 0.071 45.175 45.100 0.006 0.000 0.863 780 G HN 0.739 nan 8.290 nan 0.000 0.495 781 V N 0.929 120.848 119.914 0.008 0.000 2.637 781 V HA 0.271 4.391 4.120 -0.000 0.000 0.296 781 V C -0.992 175.104 176.094 0.005 0.000 1.046 781 V CA -1.010 61.294 62.300 0.007 0.000 1.066 781 V CB 0.963 32.791 31.823 0.009 0.000 0.968 781 V HN 0.272 nan 8.190 nan 0.000 0.483 782 P HA 0.003 nan 4.420 nan 0.000 0.260 782 P C 0.628 177.928 177.300 0.001 0.000 1.172 782 P CA 0.161 63.262 63.100 0.002 0.000 0.760 782 P CB 0.390 32.090 31.700 0.001 0.000 0.773 783 K N 2.921 123.321 120.400 0.000 0.000 2.071 783 K HA -0.298 4.022 4.320 -0.000 0.000 0.217 783 K C 1.828 178.427 176.600 -0.002 0.000 1.054 783 K CA 2.311 58.597 56.287 -0.001 0.000 0.937 783 K CB -0.288 32.211 32.500 -0.002 0.000 0.719 783 K HN 0.501 nan 8.250 nan 0.000 0.454 784 E N 0.294 120.493 120.200 -0.002 0.000 2.077 784 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 784 E C 1.723 178.322 176.600 -0.002 0.000 0.989 784 E CA 1.343 57.742 56.400 -0.002 0.000 0.800 784 E CB -0.149 29.550 29.700 -0.002 0.000 0.746 784 E HN 0.099 nan 8.360 nan 0.000 0.452 785 V N 0.745 120.658 119.914 -0.001 0.000 2.287 785 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 785 V C 2.436 178.529 176.094 -0.001 0.000 1.053 785 V CA 2.090 64.390 62.300 -0.001 0.000 1.027 785 V CB -0.494 31.330 31.823 0.001 0.000 0.646 785 V HN 0.330 nan 8.190 nan 0.000 0.447 786 I N -0.492 120.078 120.570 0.000 0.000 2.286 786 I HA -0.267 3.903 4.170 -0.000 0.000 0.248 786 I C 2.508 178.623 176.117 -0.004 0.000 1.115 786 I CA 1.646 62.947 61.300 0.000 0.000 1.392 786 I CB -0.358 37.643 38.000 0.002 0.000 1.065 786 I HN 0.229 nan 8.210 nan 0.000 0.418 787 K N 0.688 121.085 120.400 -0.004 0.000 2.026 787 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 787 K C 2.274 178.870 176.600 -0.008 0.000 1.048 787 K CA 1.422 57.705 56.287 -0.007 0.000 0.929 787 K CB -0.028 32.468 32.500 -0.006 0.000 0.713 787 K HN -0.067 nan 8.250 nan 0.000 0.439 788 R N -0.014 120.482 120.500 -0.006 0.000 2.115 788 R HA 0.024 4.364 4.340 -0.000 0.000 0.230 788 R C 1.896 178.192 176.300 -0.007 0.000 1.111 788 R CA 1.402 57.498 56.100 -0.006 0.000 0.976 788 R CB -0.469 29.828 30.300 -0.005 0.000 0.870 788 R HN 0.322 nan 8.270 nan 0.000 0.445 789 A N -0.015 122.802 122.820 -0.006 0.000 1.930 789 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 789 A C 2.107 179.684 177.584 -0.010 0.000 1.175 789 A CA 1.619 53.653 52.037 -0.006 0.000 0.627 789 A CB -0.397 18.602 19.000 -0.002 0.000 0.815 789 A HN 0.220 nan 8.150 nan 0.000 0.443 790 R N -0.149 120.344 120.500 -0.013 0.000 2.092 790 R HA -0.109 4.231 4.340 -0.000 0.000 0.231 790 R C 2.274 178.562 176.300 -0.020 0.000 1.119 790 R CA 1.971 58.059 56.100 -0.019 0.000 0.970 790 R CB -0.585 29.703 30.300 -0.020 0.000 0.864 790 R HN 0.684 nan 8.270 nan 0.000 0.440 791 Q N -0.003 119.788 119.800 -0.015 0.000 2.050 791 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 791 Q C 1.721 177.713 176.000 -0.014 0.000 0.980 791 Q CA 1.996 57.791 55.803 -0.014 0.000 0.840 791 Q CB -0.082 28.650 28.738 -0.011 0.000 0.898 791 Q HN 0.108 nan 8.270 nan 0.000 0.424 792 K N 0.301 120.694 120.400 -0.012 0.000 2.063 792 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 792 K C 1.912 178.505 176.600 -0.012 0.000 1.048 792 K CA 1.088 57.369 56.287 -0.011 0.000 0.928 792 K CB -0.535 31.960 32.500 -0.009 0.000 0.713 792 K HN 0.242 nan 8.250 nan 0.000 0.442 793 L N 0.987 122.202 121.223 -0.015 0.000 2.042 793 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 793 L C 2.299 179.154 176.870 -0.024 0.000 1.076 793 L CA 1.837 56.665 54.840 -0.019 0.000 0.749 793 L CB -0.587 41.456 42.059 -0.027 0.000 0.893 793 L HN 0.221 nan 8.230 nan 0.000 0.432 794 R N -0.480 120.004 120.500 -0.027 0.000 2.062 794 R HA -0.167 4.173 4.340 -0.000 0.000 0.231 794 R C 2.209 178.499 176.300 -0.017 0.000 1.136 794 R CA 1.705 57.788 56.100 -0.028 0.000 0.948 794 R CB -0.287 29.997 30.300 -0.028 0.000 0.845 794 R HN 0.484 nan 8.270 nan 0.000 0.430 795 E N 0.273 120.466 120.200 -0.012 0.000 2.108 795 E HA -0.266 4.084 4.350 -0.000 0.000 0.203 795 E C 2.004 178.604 176.600 0.002 0.000 1.022 795 E CA 1.943 58.340 56.400 -0.005 0.000 0.823 795 E CB -0.164 29.533 29.700 -0.006 0.000 0.744 795 E HN 0.378 nan 8.360 nan 0.000 0.456 796 L N 0.349 121.573 121.223 0.002 0.000 2.109 796 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 796 L C 2.255 179.142 176.870 0.028 0.000 1.086 796 L CA 0.927 55.775 54.840 0.013 0.000 0.760 796 L CB -0.185 41.880 42.059 0.009 0.000 0.910 796 L HN 0.117 nan 8.230 nan 0.000 0.437 797 E N -0.176 120.032 120.200 0.013 0.000 2.008 797 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 797 E C 2.179 178.792 176.600 0.021 0.000 0.986 797 E CA 1.285 57.693 56.400 0.014 0.000 0.807 797 E CB -0.107 29.571 29.700 -0.036 0.000 0.766 797 E HN 0.291 nan 8.360 nan 0.000 0.450 798 S N 1.270 116.972 115.700 0.004 0.000 2.465 798 S HA -0.306 4.164 4.470 -0.000 0.000 0.263 798 S C 1.962 176.577 174.600 0.024 0.000 1.135 798 S CA 1.712 59.917 58.200 0.009 0.000 1.118 798 S CB -0.662 62.540 63.200 0.003 0.000 0.994 798 S HN 0.188 nan 8.310 nan 0.000 0.455 799 I N 0.656 121.246 120.570 0.033 0.000 2.060 799 I HA -0.123 4.047 4.170 -0.000 0.000 0.233 799 I C 1.821 177.967 176.117 0.049 0.000 1.054 799 I CA 0.886 62.210 61.300 0.040 0.000 1.318 799 I CB -0.487 37.544 38.000 0.050 0.000 1.054 799 I HN 0.150 nan 8.210 nan 0.000 0.395 800 S N 0.000 115.743 115.700 0.071 0.000 2.498 800 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 800 S CA 0.000 58.248 58.200 0.079 0.000 1.107 800 S CB 0.000 63.264 63.200 0.106 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517