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 1oh6_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 0.000 176.243 176.300 -0.095 0.000 1.140 14 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 14 M CB 0.000 32.577 32.600 -0.038 0.000 1.302 15 Q N 1.906 121.681 119.800 -0.041 0.000 2.354 15 Q HA 0.043 4.383 4.340 -0.000 0.000 0.203 15 Q C 1.370 177.363 176.000 -0.012 0.000 0.933 15 Q CA 1.538 57.317 55.803 -0.040 0.000 0.901 15 Q CB 0.103 28.829 28.738 -0.020 0.000 1.007 15 Q HN 0.835 nan 8.270 nan 0.000 0.495 16 Q N -0.962 118.853 119.800 0.024 0.000 2.322 16 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 16 Q C 1.184 177.216 176.000 0.053 0.000 0.923 16 Q CA 0.136 55.972 55.803 0.055 0.000 0.949 16 Q CB -0.175 28.623 28.738 0.100 0.000 1.039 16 Q HN 0.293 nan 8.270 nan 0.000 0.496 17 Y N 1.072 121.246 120.300 -0.210 0.000 2.243 17 Y HA -0.024 4.526 4.550 -0.000 0.000 0.293 17 Y C 1.514 177.329 175.900 -0.141 0.000 1.124 17 Y CA 1.140 59.035 58.100 -0.341 0.000 1.159 17 Y CB 0.043 38.150 38.460 -0.589 0.000 1.008 17 Y HN 0.132 nan 8.280 nan 0.000 0.527 18 L N 0.112 121.373 121.223 0.063 0.000 2.013 18 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 18 L C 2.758 179.581 176.870 -0.079 0.000 1.073 18 L CA 1.972 56.818 54.840 0.009 0.000 0.753 18 L CB -0.579 41.486 42.059 0.011 0.000 0.890 18 L HN 0.146 nan 8.230 nan 0.000 0.432 19 R N -0.009 120.457 120.500 -0.055 0.000 2.092 19 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 19 R C 2.295 178.556 176.300 -0.065 0.000 1.119 19 R CA 1.142 57.214 56.100 -0.048 0.000 0.970 19 R CB -0.135 30.154 30.300 -0.018 0.000 0.864 19 R HN 0.303 nan 8.270 nan 0.000 0.440 20 L N 0.243 121.415 121.223 -0.085 0.000 2.291 20 L HA -0.093 4.247 4.340 -0.000 0.000 0.214 20 L C 2.210 178.998 176.870 -0.137 0.000 1.120 20 L CA 0.855 55.650 54.840 -0.075 0.000 0.799 20 L CB -0.071 41.980 42.059 -0.014 0.000 0.925 20 L HN 0.014 nan 8.230 nan 0.000 0.446 21 K N 0.421 120.662 120.400 -0.264 0.000 2.228 21 K HA -0.016 4.304 4.320 -0.000 0.000 0.202 21 K C 1.976 178.514 176.600 -0.104 0.000 1.051 21 K CA 1.119 57.268 56.287 -0.231 0.000 0.960 21 K CB -0.053 32.258 32.500 -0.314 0.000 0.743 21 K HN 0.185 nan 8.250 nan 0.000 0.458 22 A N 0.416 123.178 122.820 -0.098 0.000 1.969 22 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 22 A C 2.102 179.641 177.584 -0.075 0.000 1.169 22 A CA 1.423 53.416 52.037 -0.073 0.000 0.635 22 A CB -0.482 18.479 19.000 -0.065 0.000 0.810 22 A HN 0.491 nan 8.150 nan 0.000 0.445 23 Q N -1.280 118.474 119.800 -0.077 0.000 2.170 23 Q HA -0.125 4.215 4.340 -0.000 0.000 0.203 23 Q C -0.224 175.607 176.000 -0.282 0.000 0.976 23 Q CA 0.980 56.703 55.803 -0.134 0.000 0.858 23 Q CB 0.077 28.782 28.738 -0.057 0.000 0.907 23 Q HN 0.745 nan 8.270 nan 0.000 0.433 24 H N -1.613 117.441 119.070 -0.026 0.000 2.699 24 H HA 0.168 4.724 4.556 -0.000 0.000 0.256 24 H C -2.115 173.208 175.328 -0.008 0.000 1.376 24 H CA -1.484 54.558 56.048 -0.010 0.000 1.549 24 H CB 1.738 31.497 29.762 -0.004 0.000 1.686 24 H HN 0.190 nan 8.280 nan 0.000 0.550 25 P HA -0.063 nan 4.420 nan 0.000 0.226 25 P C 1.325 178.669 177.300 0.074 0.000 1.161 25 P CA 0.652 63.780 63.100 0.046 0.000 0.804 25 P CB 0.537 32.243 31.700 0.011 0.000 0.829 26 E N 0.345 120.598 120.200 0.088 0.000 2.494 26 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 26 E C 0.050 176.705 176.600 0.092 0.000 1.074 26 E CA 0.135 56.588 56.400 0.088 0.000 0.867 26 E CB -0.330 29.420 29.700 0.083 0.000 0.924 26 E HN 0.276 nan 8.360 nan 0.000 0.502 27 I N 1.612 122.240 120.570 0.098 0.000 2.582 27 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 27 I C 0.044 176.213 176.117 0.087 0.000 1.066 27 I CA -1.036 60.307 61.300 0.071 0.000 1.053 27 I CB 2.268 40.286 38.000 0.030 0.000 1.241 27 I HN -0.096 nan 8.210 nan 0.000 0.421 28 L N 5.591 126.868 121.223 0.090 0.000 2.540 28 L HA 0.023 4.363 4.340 -0.000 0.000 0.276 28 L C -0.343 176.642 176.870 0.191 0.000 1.212 28 L CA 0.052 54.989 54.840 0.162 0.000 0.893 28 L CB 0.112 42.278 42.059 0.179 0.000 1.138 28 L HN 0.384 nan 8.230 nan 0.000 0.491 29 L N 5.117 126.520 121.223 0.300 0.000 2.335 29 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 29 L C -0.491 176.717 176.870 0.562 0.000 1.037 29 L CA -0.098 54.946 54.840 0.340 0.000 0.895 29 L CB 0.241 42.425 42.059 0.208 0.000 1.266 29 L HN 0.151 nan 8.230 nan 0.000 0.439 30 F N 4.349 124.431 119.950 0.221 0.000 2.533 30 F HA 0.107 4.634 4.527 -0.000 0.000 0.378 30 F C -0.137 175.943 175.800 0.467 0.000 1.070 30 F CA 0.185 58.358 58.000 0.288 0.000 1.172 30 F CB -0.128 38.952 39.000 0.133 0.000 1.085 30 F HN 0.363 nan 8.300 nan 0.000 0.552 31 Y N 4.389 124.956 120.300 0.446 0.000 2.345 31 Y HA 0.451 5.001 4.550 -0.000 0.000 0.331 31 Y C 0.275 176.311 175.900 0.227 0.000 0.959 31 Y CA -1.410 56.923 58.100 0.389 0.000 1.204 31 Y CB 0.379 39.146 38.460 0.513 0.000 1.135 31 Y HN 0.520 nan 8.280 nan 0.000 0.477 32 R N 4.837 125.227 120.500 -0.183 0.000 2.585 32 R HA 0.217 4.556 4.340 -0.000 0.000 0.275 32 R C -0.950 175.199 176.300 -0.253 0.000 1.018 32 R CA 0.749 56.604 56.100 -0.409 0.000 1.072 32 R CB 0.114 30.165 30.300 -0.416 0.000 0.953 32 R HN 0.735 nan 8.270 nan 0.000 0.419 33 M N 4.548 124.055 119.600 -0.155 0.000 4.182 33 M HA 0.177 4.657 4.480 -0.000 0.000 0.491 33 M C 0.325 176.641 176.300 0.027 0.000 2.033 33 M CA 0.325 55.631 55.300 0.010 0.000 0.520 33 M CB 0.736 33.425 32.600 0.148 0.000 2.124 33 M HN 0.897 nan 8.290 nan 0.000 0.543 34 G N 1.971 110.731 108.800 -0.067 0.000 2.543 34 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.286 34 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.286 34 G C 0.261 175.057 174.900 -0.173 0.000 1.153 34 G CA 0.610 45.663 45.100 -0.079 0.000 0.968 34 G HN 0.483 nan 8.290 nan 0.000 0.544 35 D N 1.268 121.541 120.400 -0.212 0.000 2.363 35 D HA 0.325 4.965 4.640 -0.000 0.000 0.226 35 D C 0.673 176.548 176.300 -0.709 0.000 1.020 35 D CA 0.852 54.541 54.000 -0.519 0.000 0.892 35 D CB -0.084 40.260 40.800 -0.760 0.000 0.900 35 D HN 0.252 nan 8.370 nan 0.000 0.531 36 F N -1.221 118.701 119.950 -0.046 0.000 2.640 36 F HA 0.433 4.960 4.527 -0.000 0.000 0.324 36 F C -0.428 175.282 175.800 -0.149 0.000 1.077 36 F CA -1.366 56.627 58.000 -0.012 0.000 0.965 36 F CB 1.073 40.055 39.000 -0.029 0.000 1.351 36 F HN -0.321 nan 8.300 nan 0.000 0.487 37 Y N 0.448 120.829 120.300 0.134 0.000 2.377 37 Y HA 0.497 5.047 4.550 -0.000 0.000 0.339 37 Y C -0.424 175.371 175.900 -0.175 0.000 1.011 37 Y CA -0.778 57.324 58.100 0.004 0.000 1.093 37 Y CB 1.550 39.991 38.460 -0.031 0.000 1.201 37 Y HN 0.425 nan 8.280 nan 0.000 0.455 38 E N 3.886 124.085 120.200 -0.000 0.000 2.248 38 E HA 0.531 4.881 4.350 -0.000 0.000 0.267 38 E C -1.629 174.713 176.600 -0.430 0.000 0.877 38 E CA -0.960 55.277 56.400 -0.272 0.000 0.759 38 E CB 2.656 32.196 29.700 -0.266 0.000 1.182 38 E HN 0.407 nan 8.360 nan 0.000 0.418 39 L N 2.371 123.222 121.223 -0.621 0.000 2.334 39 L HA 0.582 4.922 4.340 -0.000 0.000 0.273 39 L C -0.853 175.551 176.870 -0.777 0.000 1.013 39 L CA -0.404 54.172 54.840 -0.439 0.000 0.816 39 L CB 0.700 42.666 42.059 -0.154 0.000 1.278 39 L HN 0.481 nan 8.230 nan 0.000 0.431 40 F N 0.460 120.341 119.950 -0.116 0.000 2.650 40 F HA 0.589 5.115 4.527 -0.000 0.000 0.320 40 F C 0.197 176.054 175.800 0.096 0.000 1.091 40 F CA -0.768 57.128 58.000 -0.174 0.000 0.962 40 F CB 0.876 39.545 39.000 -0.552 0.000 1.363 40 F HN 0.388 nan 8.300 nan 0.000 0.482 41 Y N 0.393 120.784 120.300 0.152 0.000 2.904 41 Y HA -0.419 4.131 4.550 -0.000 0.000 0.466 41 Y C 1.509 177.465 175.900 0.094 0.000 1.202 41 Y CA 1.616 59.786 58.100 0.117 0.000 2.491 41 Y CB -0.877 37.677 38.460 0.157 0.000 1.237 41 Y HN 0.686 nan 8.280 nan 0.000 0.633 42 D N 0.480 121.110 120.400 0.383 0.000 2.317 42 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 42 D C 1.266 177.673 176.300 0.179 0.000 0.966 42 D CA 1.233 55.364 54.000 0.218 0.000 0.876 42 D CB -0.303 40.647 40.800 0.251 0.000 0.927 42 D HN 0.406 nan 8.370 nan 0.000 0.519 43 D N 1.148 121.681 120.400 0.221 0.000 2.144 43 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 43 D C 2.094 178.457 176.300 0.104 0.000 0.978 43 D CA 0.895 55.004 54.000 0.181 0.000 0.833 43 D CB -0.180 40.767 40.800 0.245 0.000 0.961 43 D HN 0.126 nan 8.370 nan 0.000 0.470 44 A N 1.153 124.013 122.820 0.067 0.000 1.877 44 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 44 A C 2.090 179.672 177.584 -0.004 0.000 1.186 44 A CA 1.567 53.593 52.037 -0.018 0.000 0.620 44 A CB -0.364 18.611 19.000 -0.043 0.000 0.822 44 A HN 0.136 nan 8.150 nan 0.000 0.443 45 K N -0.837 119.575 120.400 0.020 0.000 1.985 45 K HA -0.154 4.166 4.320 -0.000 0.000 0.210 45 K C 2.365 178.983 176.600 0.030 0.000 1.047 45 K CA 1.709 58.005 56.287 0.016 0.000 0.932 45 K CB -0.208 32.303 32.500 0.019 0.000 0.716 45 K HN 0.398 nan 8.250 nan 0.000 0.439 46 R N 0.717 121.249 120.500 0.054 0.000 2.105 46 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 46 R C 2.025 178.363 176.300 0.063 0.000 1.135 46 R CA 1.608 57.746 56.100 0.064 0.000 0.967 46 R CB -0.219 30.132 30.300 0.086 0.000 0.861 46 R HN 0.266 nan 8.270 nan 0.000 0.442 47 A N -0.782 122.074 122.820 0.060 0.000 1.970 47 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 47 A C 2.082 179.679 177.584 0.023 0.000 1.170 47 A CA 1.288 53.360 52.037 0.058 0.000 0.645 47 A CB -0.566 18.465 19.000 0.052 0.000 0.816 47 A HN 0.453 nan 8.150 nan 0.000 0.447 48 S N 0.381 116.080 115.700 -0.001 0.000 2.368 48 S HA -0.252 4.218 4.470 -0.000 0.000 0.225 48 S C 2.224 176.831 174.600 0.011 0.000 1.030 48 S CA 1.723 59.916 58.200 -0.012 0.000 0.999 48 S CB -0.464 62.721 63.200 -0.024 0.000 0.844 48 S HN 0.770 nan 8.310 nan 0.000 0.459 49 Q N -0.037 119.776 119.800 0.021 0.000 2.245 49 Q HA 0.070 4.410 4.340 -0.000 0.000 0.201 49 Q C 2.039 178.062 176.000 0.040 0.000 0.955 49 Q CA 1.047 56.867 55.803 0.027 0.000 0.870 49 Q CB -0.362 28.392 28.738 0.027 0.000 0.945 49 Q HN 0.570 nan 8.270 nan 0.000 0.461 50 L N 0.150 121.404 121.223 0.051 0.000 2.446 50 L HA 0.117 4.456 4.340 -0.000 0.000 0.219 50 L C 1.604 178.524 176.870 0.084 0.000 1.116 50 L CA 0.363 55.242 54.840 0.064 0.000 0.844 50 L CB 0.258 42.361 42.059 0.073 0.000 0.970 50 L HN 0.224 nan 8.230 nan 0.000 0.457 51 L N -1.729 119.548 121.223 0.090 0.000 3.016 51 L HA 0.220 4.560 4.340 -0.000 0.000 0.267 51 L C -0.344 176.604 176.870 0.130 0.000 1.182 51 L CA -0.194 54.732 54.840 0.144 0.000 0.997 51 L CB 0.303 42.463 42.059 0.168 0.000 1.354 51 L HN 0.045 nan 8.230 nan 0.000 0.569 52 D N 1.917 122.363 120.400 0.076 0.000 2.689 52 D HA -0.183 4.457 4.640 -0.000 0.000 0.237 52 D C -0.294 176.036 176.300 0.050 0.000 1.148 52 D CA 0.945 54.981 54.000 0.060 0.000 0.656 52 D CB -0.613 40.228 40.800 0.069 0.000 1.050 52 D HN 0.538 nan 8.370 nan 0.000 0.426 53 I N -4.695 115.883 120.570 0.014 0.000 3.002 53 I HA 0.647 4.817 4.170 -0.000 0.000 0.310 53 I C 0.031 176.123 176.117 -0.042 0.000 1.087 53 I CA -1.040 60.243 61.300 -0.028 0.000 1.017 53 I CB 2.222 40.166 38.000 -0.095 0.000 1.226 53 I HN -0.211 nan 8.210 nan 0.000 0.443 54 S N 2.732 118.398 115.700 -0.058 0.000 2.562 54 S HA 0.522 4.992 4.470 -0.000 0.000 0.275 54 S C -0.315 174.242 174.600 -0.072 0.000 1.281 54 S CA -0.563 57.604 58.200 -0.054 0.000 1.045 54 S CB 1.338 64.507 63.200 -0.052 0.000 0.962 54 S HN 0.527 nan 8.310 nan 0.000 0.503 55 L N 2.482 123.672 121.223 -0.055 0.000 2.439 55 L HA 0.553 4.893 4.340 -0.000 0.000 0.259 55 L C 0.271 177.108 176.870 -0.056 0.000 1.129 55 L CA 0.276 55.082 54.840 -0.058 0.000 0.803 55 L CB 1.291 43.326 42.059 -0.040 0.000 1.161 55 L HN 0.612 nan 8.230 nan 0.000 0.462 68 M N 1.717 121.325 119.600 0.013 0.000 2.716 68 M HA 0.902 5.382 4.480 -0.000 0.000 0.307 68 M C -1.345 174.829 176.300 -0.209 0.000 1.223 68 M CA -0.495 54.730 55.300 -0.125 0.000 0.871 68 M CB 2.504 35.081 32.600 -0.039 0.000 1.739 68 M HN 0.514 nan 8.290 nan 0.000 0.475 69 A N 0.841 123.456 122.820 -0.342 0.000 2.599 69 A HA 0.916 5.236 4.320 -0.000 0.000 0.290 69 A C -1.033 176.347 177.584 -0.339 0.000 1.101 69 A CA -0.134 51.736 52.037 -0.279 0.000 0.674 69 A CB 1.580 20.449 19.000 -0.220 0.000 1.277 69 A HN 0.984 nan 8.150 nan 0.000 0.419 70 G N -0.933 107.689 108.800 -0.297 0.000 2.673 70 G HA2 0.724 4.684 3.960 -0.000 0.000 0.292 70 G HA3 0.724 4.684 3.960 -0.000 0.000 0.292 70 G C -1.403 173.361 174.900 -0.227 0.000 1.450 70 G CA 0.186 45.122 45.100 -0.273 0.000 0.837 70 G HN 1.959 nan 8.290 nan 0.000 0.505 71 I N -1.496 118.997 120.570 -0.127 0.000 2.769 71 I HA 0.779 4.949 4.170 -0.000 0.000 0.298 71 I C -2.734 173.534 176.117 0.252 0.000 1.128 71 I CA -2.907 58.334 61.300 -0.098 0.000 1.031 71 I CB 2.642 40.374 38.000 -0.447 0.000 1.235 71 I HN 0.317 nan 8.210 nan 0.000 0.423 72 P HA 0.007 nan 4.420 nan 0.000 0.272 72 P C -0.125 177.350 177.300 0.292 0.000 1.223 72 P CA 0.096 63.339 63.100 0.237 0.000 0.784 72 P CB 0.614 32.511 31.700 0.328 0.000 0.923 73 Y N 2.969 123.346 120.300 0.127 0.000 2.242 73 Y HA -0.259 4.291 4.550 -0.000 0.000 0.291 73 Y C 2.520 178.553 175.900 0.221 0.000 1.137 73 Y CA 2.044 60.284 58.100 0.233 0.000 1.181 73 Y CB -0.904 37.610 38.460 0.091 0.000 0.989 73 Y HN 0.505 nan 8.280 nan 0.000 0.527 74 H N -0.604 118.446 119.070 -0.033 0.000 2.521 74 H HA 0.141 4.697 4.556 -0.000 0.000 0.286 74 H C 0.684 175.947 175.328 -0.110 0.000 1.034 74 H CA 1.238 57.218 56.048 -0.114 0.000 1.278 74 H CB -0.319 29.451 29.762 0.013 0.000 1.386 74 H HN 0.371 nan 8.280 nan 0.000 0.567 75 A N 0.974 123.559 122.820 -0.391 0.000 2.674 75 A HA 0.456 4.776 4.320 -0.000 0.000 0.286 75 A C 1.611 179.188 177.584 -0.013 0.000 0.980 75 A CA -0.128 51.720 52.037 -0.314 0.000 1.028 75 A CB -0.031 18.733 19.000 -0.394 0.000 1.199 75 A HN 0.155 nan 8.150 nan 0.000 0.499 76 V N -0.169 119.724 119.914 -0.034 0.000 2.295 76 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 76 V C 2.510 178.616 176.094 0.020 0.000 1.049 76 V CA 2.522 64.854 62.300 0.053 0.000 1.024 76 V CB -0.406 31.357 31.823 -0.099 0.000 0.648 76 V HN 0.737 nan 8.190 nan 0.000 0.447 77 E N 0.468 120.615 120.200 -0.088 0.000 2.118 77 E HA -0.252 4.098 4.350 -0.000 0.000 0.195 77 E C 1.961 178.508 176.600 -0.089 0.000 0.992 77 E CA 1.706 58.049 56.400 -0.096 0.000 0.804 77 E CB -0.365 29.265 29.700 -0.116 0.000 0.741 77 E HN 0.674 nan 8.360 nan 0.000 0.458 78 N N -1.722 116.904 118.700 -0.124 0.000 2.244 78 N HA -0.138 4.601 4.740 -0.000 0.000 0.183 78 N C 1.081 176.444 175.510 -0.246 0.000 1.016 78 N CA 1.006 53.931 53.050 -0.210 0.000 0.866 78 N CB -0.009 38.291 38.487 -0.311 0.000 0.980 78 N HN 0.185 nan 8.380 nan 0.000 0.430 79 Y N -0.023 120.274 120.300 -0.006 0.000 2.397 79 Y HA 0.192 4.742 4.550 -0.000 0.000 0.292 79 Y C 1.828 177.761 175.900 0.055 0.000 1.115 79 Y CA 0.289 58.421 58.100 0.054 0.000 1.208 79 Y CB -0.086 38.446 38.460 0.119 0.000 1.046 79 Y HN 0.042 nan 8.280 nan 0.000 0.552 80 L N -0.681 120.620 121.223 0.131 0.000 2.012 80 L HA -0.284 4.056 4.340 -0.000 0.000 0.210 80 L C 2.577 179.425 176.870 -0.036 0.000 1.073 80 L CA 1.458 56.277 54.840 -0.036 0.000 0.748 80 L CB -0.753 41.228 42.059 -0.130 0.000 0.891 80 L HN 0.250 nan 8.230 nan 0.000 0.431 81 A N -0.431 122.365 122.820 -0.039 0.000 2.019 81 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 81 A C 2.264 179.831 177.584 -0.028 0.000 1.164 81 A CA 1.477 53.486 52.037 -0.047 0.000 0.644 81 A CB -0.249 18.712 19.000 -0.065 0.000 0.805 81 A HN 0.358 nan 8.150 nan 0.000 0.449 82 K N -0.658 119.738 120.400 -0.006 0.000 2.137 82 K HA 0.147 4.467 4.320 -0.000 0.000 0.202 82 K C 1.735 178.359 176.600 0.040 0.000 1.052 82 K CA 0.837 57.133 56.287 0.015 0.000 0.961 82 K CB -0.216 32.302 32.500 0.029 0.000 0.741 82 K HN 0.434 nan 8.250 nan 0.000 0.452 83 L N 0.563 121.822 121.223 0.060 0.000 2.072 83 L HA -0.142 4.198 4.340 -0.000 0.000 0.205 83 L C 2.291 179.168 176.870 0.011 0.000 1.079 83 L CA 0.711 55.582 54.840 0.052 0.000 0.752 83 L CB -0.406 41.691 42.059 0.062 0.000 0.906 83 L HN -0.062 nan 8.230 nan 0.000 0.436 84 V N 0.298 120.203 119.914 -0.016 0.000 2.392 84 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 84 V C 2.282 178.369 176.094 -0.011 0.000 1.059 84 V CA 2.017 64.301 62.300 -0.026 0.000 1.051 84 V CB -0.710 31.085 31.823 -0.047 0.000 0.658 84 V HN 0.577 nan 8.190 nan 0.000 0.455 85 N N -0.167 118.529 118.700 -0.007 0.000 2.381 85 N HA -0.156 4.583 4.740 -0.000 0.000 0.182 85 N C 1.569 177.082 175.510 0.006 0.000 1.025 85 N CA 0.952 54.000 53.050 -0.004 0.000 0.888 85 N CB 0.108 38.592 38.487 -0.006 0.000 0.965 85 N HN 0.612 nan 8.380 nan 0.000 0.438 86 Q N -0.967 118.842 119.800 0.014 0.000 2.220 86 Q HA 0.208 4.548 4.340 -0.000 0.000 0.205 86 Q C 0.442 176.455 176.000 0.022 0.000 0.865 86 Q CA 0.166 55.982 55.803 0.021 0.000 0.960 86 Q CB 0.970 29.727 28.738 0.032 0.000 1.097 86 Q HN 0.412 nan 8.270 nan 0.000 0.493 87 G N 0.870 109.679 108.800 0.017 0.000 2.144 87 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.218 87 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.218 87 G C -0.314 174.600 174.900 0.023 0.000 0.988 87 G CA -0.430 44.681 45.100 0.018 0.000 0.659 87 G HN 0.176 nan 8.290 nan 0.000 0.522 88 E N 1.038 121.250 120.200 0.019 0.000 2.174 88 E HA 0.545 4.895 4.350 -0.000 0.000 0.282 88 E C 0.166 176.762 176.600 -0.007 0.000 0.992 88 E CA -0.222 56.189 56.400 0.019 0.000 0.803 88 E CB 1.570 31.288 29.700 0.030 0.000 1.090 88 E HN 0.183 nan 8.360 nan 0.000 0.396 89 S N 0.979 116.677 115.700 -0.002 0.000 2.603 89 S HA 0.435 4.905 4.470 -0.000 0.000 0.268 89 S C -0.114 174.438 174.600 -0.080 0.000 1.317 89 S CA -0.615 57.563 58.200 -0.036 0.000 1.012 89 S CB 0.900 64.097 63.200 -0.006 0.000 0.926 89 S HN 0.258 nan 8.310 nan 0.000 0.539 90 V N 1.502 121.322 119.914 -0.157 0.000 2.567 90 V HA 0.600 4.720 4.120 -0.000 0.000 0.298 90 V C -0.211 175.735 176.094 -0.247 0.000 1.047 90 V CA -0.960 61.186 62.300 -0.257 0.000 0.880 90 V CB 1.293 32.802 31.823 -0.523 0.000 1.009 90 V HN 0.961 nan 8.190 nan 0.000 0.429 91 A N 5.537 128.257 122.820 -0.167 0.000 2.301 91 A HA 0.849 5.169 4.320 -0.000 0.000 0.298 91 A C -0.721 176.840 177.584 -0.039 0.000 1.185 91 A CA -0.253 51.705 52.037 -0.132 0.000 0.830 91 A CB 0.299 19.227 19.000 -0.121 0.000 1.112 91 A HN 0.634 nan 8.150 nan 0.000 0.508 92 I N 2.241 122.795 120.570 -0.026 0.000 2.339 92 I HA 0.241 4.411 4.170 -0.000 0.000 0.290 92 I C 0.012 176.229 176.117 0.167 0.000 0.994 92 I CA -0.846 60.516 61.300 0.102 0.000 1.191 92 I CB 1.157 39.158 38.000 0.003 0.000 1.343 92 I HN 0.627 nan 8.210 nan 0.000 0.458 93 C N 7.374 126.830 119.300 0.260 0.000 2.223 93 C HA 0.580 5.040 4.460 -0.000 0.000 0.324 93 C C 0.536 175.577 174.990 0.084 0.000 1.196 93 C CA -0.327 58.794 59.018 0.170 0.000 1.628 93 C CB -0.795 27.087 27.740 0.237 0.000 2.229 93 C HN 0.807 nan 8.230 nan 0.000 0.486 109 K N 0.009 120.437 120.400 0.048 0.000 2.556 109 K HA 0.448 4.768 4.320 -0.000 0.000 0.274 109 K C -1.292 175.350 176.600 0.070 0.000 0.966 109 K CA -0.736 55.588 56.287 0.061 0.000 0.865 109 K CB 2.436 34.963 32.500 0.044 0.000 1.444 109 K HN 0.275 nan 8.250 nan 0.000 0.433 110 V N 3.336 123.298 119.914 0.081 0.000 2.390 110 V HA 0.017 4.137 4.120 -0.000 0.000 0.260 110 V C 0.756 176.874 176.094 0.040 0.000 1.043 110 V CA 0.159 62.501 62.300 0.070 0.000 1.047 110 V CB 0.787 32.657 31.823 0.077 0.000 1.066 110 V HN 0.610 nan 8.190 nan 0.000 0.481 111 V N 5.611 125.548 119.914 0.037 0.000 3.644 111 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 111 V C 0.802 176.898 176.094 0.004 0.000 1.277 111 V CA 0.564 62.879 62.300 0.025 0.000 1.096 111 V CB 0.230 32.076 31.823 0.039 0.000 0.828 111 V HN 0.853 nan 8.190 nan 0.000 0.446 112 R N -0.032 120.459 120.500 -0.015 0.000 2.604 112 R HA 0.608 4.948 4.340 -0.000 0.000 0.270 112 R C -1.903 174.337 176.300 -0.101 0.000 1.052 112 R CA -0.525 55.544 56.100 -0.052 0.000 0.902 112 R CB 1.953 32.228 30.300 -0.042 0.000 1.233 112 R HN 0.178 nan 8.270 nan 0.000 0.455 113 I N 4.286 124.779 120.570 -0.128 0.000 2.619 113 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 113 I C -0.706 175.321 176.117 -0.151 0.000 1.100 113 I CA -1.240 59.959 61.300 -0.169 0.000 1.043 113 I CB 2.279 40.153 38.000 -0.211 0.000 1.239 113 I HN 0.405 nan 8.210 nan 0.000 0.420 114 V N 1.647 121.465 119.914 -0.160 0.000 2.487 114 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 114 V C -0.069 175.962 176.094 -0.105 0.000 1.028 114 V CA -0.313 61.908 62.300 -0.131 0.000 0.860 114 V CB 1.318 33.055 31.823 -0.142 0.000 0.991 114 V HN 0.865 nan 8.190 nan 0.000 0.427 115 T N 1.984 116.498 114.554 -0.066 0.000 2.925 115 T HA 0.660 5.010 4.350 -0.000 0.000 0.285 115 T C -1.916 172.782 174.700 -0.004 0.000 1.021 115 T CA -2.055 60.040 62.100 -0.008 0.000 1.042 115 T CB 2.036 70.947 68.868 0.071 0.000 1.037 115 T HN 0.451 nan 8.240 nan 0.000 0.481 116 P HA 0.081 nan 4.420 nan 0.000 0.218 116 P C 1.491 178.793 177.300 0.002 0.000 1.149 116 P CA 1.011 64.110 63.100 -0.002 0.000 0.817 116 P CB -0.212 31.491 31.700 0.004 0.000 0.785 117 G N -1.527 107.287 108.800 0.023 0.000 2.985 117 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.209 117 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.209 117 G C 0.731 175.636 174.900 0.009 0.000 1.165 117 G CA 0.734 45.843 45.100 0.016 0.000 0.776 117 G HN 0.382 nan 8.290 nan 0.000 0.541 118 T N -1.267 113.289 114.554 0.004 0.000 3.288 118 T HA 0.409 4.759 4.350 -0.000 0.000 0.293 118 T C 0.626 175.302 174.700 -0.040 0.000 1.008 118 T CA -0.609 61.477 62.100 -0.023 0.000 0.929 118 T CB -0.501 68.344 68.868 -0.039 0.000 1.152 118 T HN 0.273 nan 8.240 nan 0.000 0.517 119 I N 0.036 120.584 120.570 -0.037 0.000 2.581 119 I HA 0.682 4.852 4.170 -0.000 0.000 0.288 119 I C 0.841 176.933 176.117 -0.041 0.000 1.047 119 I CA -0.698 60.574 61.300 -0.046 0.000 1.374 119 I CB 1.404 39.375 38.000 -0.049 0.000 1.423 119 I HN 0.147 nan 8.210 nan 0.000 0.549 120 S N 0.635 116.306 115.700 -0.047 0.000 2.817 120 S HA 0.222 4.692 4.470 -0.000 0.000 0.262 120 S C -0.043 174.524 174.600 -0.054 0.000 1.051 120 S CA -0.562 57.609 58.200 -0.049 0.000 1.185 120 S CB -0.204 62.962 63.200 -0.058 0.000 1.152 120 S HN 0.701 nan 8.310 nan 0.000 0.653 121 D N 3.193 123.561 120.400 -0.053 0.000 2.389 121 D HA 0.129 4.769 4.640 -0.000 0.000 0.247 121 D C 1.288 177.558 176.300 -0.050 0.000 1.128 121 D CA 0.030 54.000 54.000 -0.050 0.000 0.884 121 D CB 1.170 41.939 40.800 -0.052 0.000 1.194 121 D HN 0.589 nan 8.370 nan 0.000 0.441 122 E N 2.098 122.269 120.200 -0.047 0.000 2.160 122 E HA -0.236 4.113 4.350 -0.000 0.000 0.195 122 E C 1.390 177.960 176.600 -0.050 0.000 0.991 122 E CA 1.244 57.615 56.400 -0.047 0.000 0.810 122 E CB 0.058 29.731 29.700 -0.044 0.000 0.742 122 E HN 0.413 nan 8.360 nan 0.000 0.466 123 A N 1.033 123.821 122.820 -0.055 0.000 2.067 123 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 123 A C 2.110 179.655 177.584 -0.066 0.000 1.158 123 A CA 0.882 52.882 52.037 -0.063 0.000 0.661 123 A CB -0.310 18.648 19.000 -0.070 0.000 0.801 123 A HN 0.348 nan 8.150 nan 0.000 0.452 124 L N -1.144 120.042 121.223 -0.061 0.000 2.585 124 L HA 0.286 4.626 4.340 -0.000 0.000 0.226 124 L C 0.157 176.997 176.870 -0.050 0.000 1.113 124 L CA -0.151 54.653 54.840 -0.060 0.000 0.876 124 L CB -0.066 41.955 42.059 -0.063 0.000 1.072 124 L HN 0.214 nan 8.230 nan 0.000 0.468 125 L N -0.518 120.677 121.223 -0.047 0.000 2.334 125 L HA 0.370 4.710 4.340 -0.000 0.000 0.270 125 L C -0.203 176.644 176.870 -0.038 0.000 1.018 125 L CA -0.522 54.294 54.840 -0.039 0.000 0.811 125 L CB 1.602 43.638 42.059 -0.037 0.000 1.271 125 L HN -0.038 nan 8.230 nan 0.000 0.443 126 Q N 0.345 120.126 119.800 -0.031 0.000 2.256 126 Q HA 0.084 4.424 4.340 -0.000 0.000 0.254 126 Q C 0.465 176.448 176.000 -0.028 0.000 0.916 126 Q CA -0.112 55.673 55.803 -0.029 0.000 0.932 126 Q CB 1.940 30.664 28.738 -0.023 0.000 1.207 126 Q HN 0.485 nan 8.270 nan 0.000 0.426 127 E N 2.504 122.686 120.200 -0.029 0.000 2.085 127 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 127 E C 0.559 177.143 176.600 -0.027 0.000 0.994 127 E CA 1.380 57.762 56.400 -0.030 0.000 0.801 127 E CB 0.330 30.012 29.700 -0.030 0.000 0.743 127 E HN 0.367 nan 8.360 nan 0.000 0.453 128 R N -0.302 120.184 120.500 -0.023 0.000 2.552 128 R HA 0.254 4.594 4.340 -0.000 0.000 0.314 128 R C -0.430 175.862 176.300 -0.013 0.000 1.041 128 R CA -0.044 56.044 56.100 -0.020 0.000 1.076 128 R CB 0.737 31.026 30.300 -0.018 0.000 1.290 128 R HN 0.074 nan 8.270 nan 0.000 0.563 129 Q N 0.281 120.073 119.800 -0.013 0.000 2.305 129 Q HA 0.182 4.522 4.340 -0.000 0.000 0.271 129 Q C -1.342 174.652 176.000 -0.010 0.000 1.046 129 Q CA -0.839 54.960 55.803 -0.007 0.000 0.798 129 Q CB 2.432 31.166 28.738 -0.007 0.000 1.286 129 Q HN 0.080 nan 8.270 nan 0.000 0.435 130 D N 1.676 122.072 120.400 -0.006 0.000 2.423 130 D HA 0.035 4.675 4.640 -0.000 0.000 0.238 130 D C -0.390 175.904 176.300 -0.009 0.000 1.142 130 D CA 0.639 54.635 54.000 -0.006 0.000 0.884 130 D CB 0.648 41.448 40.800 0.001 0.000 1.199 130 D HN 0.374 nan 8.370 nan 0.000 0.438 131 N N 1.849 120.543 118.700 -0.010 0.000 2.577 131 N HA 0.276 5.016 4.740 -0.000 0.000 0.275 131 N C -1.436 174.066 175.510 -0.013 0.000 1.091 131 N CA -0.372 52.671 53.050 -0.012 0.000 0.843 131 N CB 0.468 38.945 38.487 -0.016 0.000 1.295 131 N HN 0.196 nan 8.380 nan 0.000 0.530 132 L N 1.755 122.971 121.223 -0.010 0.000 2.344 132 L HA 0.599 4.939 4.340 -0.000 0.000 0.272 132 L C -0.448 176.408 176.870 -0.022 0.000 1.035 132 L CA -1.320 53.510 54.840 -0.016 0.000 0.807 132 L CB 1.394 43.449 42.059 -0.006 0.000 1.237 132 L HN 0.365 nan 8.230 nan 0.000 0.442 133 L N 2.176 123.375 121.223 -0.040 0.000 2.322 133 L HA 0.846 5.186 4.340 -0.000 0.000 0.279 133 L C -0.347 176.474 176.870 -0.083 0.000 1.036 133 L CA 0.092 54.903 54.840 -0.049 0.000 0.807 133 L CB 1.348 43.382 42.059 -0.041 0.000 1.226 133 L HN 0.715 nan 8.230 nan 0.000 0.433 134 A N 3.747 126.509 122.820 -0.096 0.000 2.479 134 A HA 1.004 5.324 4.320 -0.000 0.000 0.296 134 A C -1.384 176.121 177.584 -0.131 0.000 1.121 134 A CA -0.167 51.766 52.037 -0.173 0.000 0.743 134 A CB 1.624 20.530 19.000 -0.156 0.000 1.323 134 A HN 1.283 nan 8.150 nan 0.000 0.415 135 A N 0.534 123.256 122.820 -0.164 0.000 2.422 135 A HA 0.759 5.079 4.320 -0.000 0.000 0.302 135 A C -1.113 176.572 177.584 0.168 0.000 1.041 135 A CA -0.276 51.770 52.037 0.016 0.000 0.708 135 A CB 0.946 19.943 19.000 -0.006 0.000 1.257 135 A HN 1.424 nan 8.150 nan 0.000 0.414 136 I N 3.136 123.884 120.570 0.295 0.000 2.647 136 I HA 0.819 4.989 4.170 -0.000 0.000 0.295 136 I C -1.349 174.955 176.117 0.312 0.000 1.078 136 I CA -0.505 61.008 61.300 0.355 0.000 1.048 136 I CB 1.677 39.768 38.000 0.152 0.000 1.239 136 I HN 0.948 nan 8.210 nan 0.000 0.421 137 W N 6.547 127.935 121.300 0.147 0.000 2.874 137 W HA 0.500 5.160 4.660 -0.000 0.000 0.403 137 W C -2.566 174.121 176.519 0.280 0.000 1.144 137 W CA -0.840 56.539 57.345 0.058 0.000 1.175 137 W CB 1.383 30.613 29.460 -0.383 0.000 1.483 137 W HN 0.603 nan 8.180 nan 0.000 0.591 138 Q N 2.340 121.842 119.800 -0.497 0.000 2.309 138 Q HA 0.211 4.551 4.340 -0.000 0.000 0.254 138 Q C -1.190 174.226 176.000 -0.974 0.000 0.938 138 Q CA -0.428 54.966 55.803 -0.683 0.000 0.789 138 Q CB 1.797 30.296 28.738 -0.397 0.000 1.313 138 Q HN 0.308 nan 8.270 nan 0.000 0.438 139 D N 0.344 120.158 120.400 -0.977 0.000 2.377 139 D HA 0.064 4.704 4.640 -0.000 0.000 0.245 139 D C 1.020 177.044 176.300 -0.461 0.000 1.196 139 D CA 0.257 53.861 54.000 -0.662 0.000 0.962 139 D CB 1.323 41.846 40.800 -0.461 0.000 1.127 139 D HN 0.628 nan 8.370 nan 0.000 0.471 140 S N 0.468 115.983 115.700 -0.308 0.000 2.442 140 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 140 S C 1.387 175.857 174.600 -0.217 0.000 1.007 140 S CA 0.954 59.015 58.200 -0.231 0.000 0.965 140 S CB 0.041 63.151 63.200 -0.150 0.000 0.773 140 S HN 0.371 nan 8.310 nan 0.000 0.504 141 K N 1.426 121.697 120.400 -0.215 0.000 1.992 141 K HA 0.332 4.652 4.320 -0.000 0.000 0.210 141 K C 1.408 177.877 176.600 -0.219 0.000 1.036 141 K CA 0.981 57.166 56.287 -0.170 0.000 0.946 141 K CB -0.349 32.081 32.500 -0.117 0.000 0.742 141 K HN 0.445 nan 8.250 nan 0.000 0.442 142 G N -0.786 107.843 108.800 -0.285 0.000 2.772 142 G HA2 0.474 4.434 3.960 -0.000 0.000 0.284 142 G HA3 0.474 4.434 3.960 -0.000 0.000 0.284 142 G C -1.491 173.120 174.900 -0.483 0.000 1.217 142 G CA -0.811 44.095 45.100 -0.324 0.000 0.831 142 G HN 0.053 nan 8.290 nan 0.000 0.523 143 F N 0.294 120.207 119.950 -0.060 0.000 2.470 143 F HA 0.681 5.208 4.527 -0.000 0.000 0.329 143 F C 0.866 176.715 175.800 0.080 0.000 1.072 143 F CA -0.228 57.766 58.000 -0.009 0.000 0.989 143 F CB 2.384 41.415 39.000 0.051 0.000 1.193 143 F HN 0.582 nan 8.300 nan 0.000 0.481 144 G N 0.839 109.878 108.800 0.399 0.000 2.452 144 G HA2 0.538 4.498 3.960 -0.000 0.000 0.324 144 G HA3 0.538 4.498 3.960 -0.000 0.000 0.324 144 G C -2.520 172.725 174.900 0.575 0.000 1.214 144 G CA -0.508 44.900 45.100 0.512 0.000 0.947 144 G HN 0.506 nan 8.290 nan 0.000 0.478 145 Y N 0.583 121.037 120.300 0.257 0.000 2.441 145 Y HA 0.636 5.186 4.550 -0.000 0.000 0.334 145 Y C -0.538 175.444 175.900 0.136 0.000 1.061 145 Y CA -0.933 57.278 58.100 0.184 0.000 1.032 145 Y CB 2.097 40.632 38.460 0.125 0.000 1.266 145 Y HN 0.899 nan 8.280 nan 0.000 0.441 146 A N 2.964 125.592 122.820 -0.320 0.000 2.414 146 A HA 0.837 5.157 4.320 -0.000 0.000 0.306 146 A C -0.918 176.435 177.584 -0.385 0.000 1.054 146 A CA -0.302 51.599 52.037 -0.227 0.000 0.724 146 A CB 1.275 20.272 19.000 -0.004 0.000 1.267 146 A HN 0.845 nan 8.150 nan 0.000 0.418 147 T N -0.582 113.889 114.554 -0.139 0.000 2.876 147 T HA 0.670 5.019 4.350 -0.000 0.000 0.289 147 T C -1.022 173.736 174.700 0.096 0.000 1.014 147 T CA -0.594 61.457 62.100 -0.083 0.000 0.986 147 T CB 1.302 70.130 68.868 -0.066 0.000 1.021 147 T HN 1.267 nan 8.240 nan 0.000 0.458 148 L N 1.935 123.142 121.223 -0.027 0.000 2.385 148 L HA 0.667 5.007 4.340 -0.000 0.000 0.273 148 L C -1.220 175.598 176.870 -0.086 0.000 0.990 148 L CA -0.409 54.360 54.840 -0.119 0.000 0.821 148 L CB 1.979 43.800 42.059 -0.397 0.000 1.279 148 L HN 0.842 nan 8.230 nan 0.000 0.412 149 D N 4.433 124.797 120.400 -0.059 0.000 2.396 149 D HA 0.120 4.760 4.640 -0.000 0.000 0.225 149 D C 1.026 177.293 176.300 -0.056 0.000 1.121 149 D CA 0.054 54.031 54.000 -0.038 0.000 0.853 149 D CB 0.848 41.646 40.800 -0.004 0.000 1.043 149 D HN 0.717 nan 8.370 nan 0.000 0.500 150 I N 2.651 123.191 120.570 -0.049 0.000 2.756 150 I HA -0.201 3.969 4.170 -0.000 0.000 0.262 150 I C 1.497 177.688 176.117 0.123 0.000 1.225 150 I CA 0.728 62.017 61.300 -0.017 0.000 1.472 150 I CB 0.359 38.348 38.000 -0.019 0.000 1.094 150 I HN 0.240 nan 8.210 nan 0.000 0.454 151 S N -0.629 115.110 115.700 0.065 0.000 2.478 151 S HA -0.033 4.437 4.470 -0.000 0.000 0.222 151 S C 1.780 176.442 174.600 0.102 0.000 1.008 151 S CA 1.007 59.245 58.200 0.063 0.000 0.928 151 S CB 0.109 63.311 63.200 0.003 0.000 0.781 151 S HN 0.656 nan 8.310 nan 0.000 0.518 152 S N -0.178 115.577 115.700 0.091 0.000 2.526 152 S HA 0.429 4.899 4.470 -0.000 0.000 0.220 152 S C 1.461 176.112 174.600 0.085 0.000 1.017 152 S CA 0.527 58.777 58.200 0.084 0.000 0.930 152 S CB 0.279 63.503 63.200 0.040 0.000 0.856 152 S HN 0.628 nan 8.310 nan 0.000 0.497 153 G N 1.897 110.703 108.800 0.010 0.000 2.155 153 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 153 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 153 G C 0.063 174.935 174.900 -0.047 0.000 0.983 153 G CA 0.226 45.233 45.100 -0.155 0.000 0.676 153 G HN 0.667 nan 8.290 nan 0.000 0.528 154 R N -0.105 120.397 120.500 0.003 0.000 2.296 154 R HA 0.470 4.810 4.340 -0.000 0.000 0.323 154 R C -0.997 175.372 176.300 0.116 0.000 1.067 154 R CA -0.469 55.665 56.100 0.057 0.000 0.946 154 R CB -0.053 30.280 30.300 0.054 0.000 0.991 154 R HN 0.056 nan 8.270 nan 0.000 0.448 155 F N 5.458 125.374 119.950 -0.058 0.000 2.499 155 F HA 0.472 4.999 4.527 -0.000 0.000 0.333 155 F C -0.812 174.953 175.800 -0.058 0.000 1.138 155 F CA -1.181 56.782 58.000 -0.062 0.000 0.945 155 F CB 0.951 39.917 39.000 -0.057 0.000 1.181 155 F HN 0.444 nan 8.300 nan 0.000 0.435 156 R N 5.518 126.113 120.500 0.158 0.000 2.803 156 R HA 0.705 5.045 4.340 -0.000 0.000 0.276 156 R C -1.508 174.745 176.300 -0.080 0.000 0.978 156 R CA -1.092 55.004 56.100 -0.007 0.000 0.939 156 R CB 2.900 33.229 30.300 0.048 0.000 1.179 156 R HN 0.814 nan 8.270 nan 0.000 0.472 157 L N -0.101 121.075 121.223 -0.078 0.000 2.445 157 L HA 0.643 4.983 4.340 -0.000 0.000 0.262 157 L C -0.975 175.923 176.870 0.046 0.000 0.974 157 L CA -0.266 54.546 54.840 -0.047 0.000 0.822 157 L CB 2.239 44.221 42.059 -0.128 0.000 1.339 157 L HN 0.912 nan 8.230 nan 0.000 0.409 158 S N 1.921 117.697 115.700 0.126 0.000 2.625 158 S HA 0.599 5.069 4.470 -0.000 0.000 0.271 158 S C -1.208 173.505 174.600 0.189 0.000 1.161 158 S CA -0.817 57.473 58.200 0.150 0.000 0.820 158 S CB 2.082 65.384 63.200 0.171 0.000 1.137 158 S HN 0.751 nan 8.310 nan 0.000 0.470 159 E N 0.983 121.274 120.200 0.152 0.000 3.352 159 E HA 0.304 4.654 4.350 -0.000 0.000 0.254 159 E C -2.876 173.808 176.600 0.140 0.000 1.229 159 E CA -1.490 55.010 56.400 0.166 0.000 0.949 159 E CB 1.140 30.920 29.700 0.132 0.000 1.373 159 E HN 0.404 nan 8.360 nan 0.000 0.392 160 P HA -0.067 nan 4.420 nan 0.000 0.262 160 P C 0.465 177.870 177.300 0.173 0.000 1.182 160 P CA 0.277 63.439 63.100 0.103 0.000 0.761 160 P CB 0.991 32.696 31.700 0.009 0.000 0.795 161 A N 3.234 126.122 122.820 0.113 0.000 1.968 161 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 161 A C 0.601 178.277 177.584 0.154 0.000 1.169 161 A CA 1.456 53.556 52.037 0.106 0.000 0.638 161 A CB -0.563 18.472 19.000 0.058 0.000 0.812 161 A HN 0.677 nan 8.150 nan 0.000 0.446 162 D N -4.316 116.184 120.400 0.168 0.000 2.579 162 D HA 0.314 4.954 4.640 -0.000 0.000 0.257 162 D C 0.651 177.032 176.300 0.134 0.000 1.176 162 D CA -0.834 53.278 54.000 0.188 0.000 0.914 162 D CB 0.467 41.313 40.800 0.077 0.000 1.431 162 D HN -0.102 nan 8.370 nan 0.000 0.454 163 R N -0.188 120.403 120.500 0.151 0.000 2.159 163 R HA -0.281 4.059 4.340 -0.000 0.000 0.249 163 R C 1.243 177.459 176.300 -0.140 0.000 1.136 163 R CA 2.357 58.436 56.100 -0.036 0.000 0.951 163 R CB -0.172 30.136 30.300 0.012 0.000 0.876 163 R HN 0.623 nan 8.270 nan 0.000 0.440 164 E N -1.447 118.712 120.200 -0.069 0.000 2.107 164 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 164 E C 1.947 178.492 176.600 -0.090 0.000 0.982 164 E CA 1.630 57.992 56.400 -0.064 0.000 0.809 164 E CB -0.040 29.654 29.700 -0.011 0.000 0.756 164 E HN 0.297 nan 8.360 nan 0.000 0.459 165 T N 0.654 115.157 114.554 -0.085 0.000 2.821 165 T HA -0.155 4.194 4.350 -0.000 0.000 0.267 165 T C 1.739 176.329 174.700 -0.183 0.000 1.046 165 T CA 1.177 63.218 62.100 -0.099 0.000 1.139 165 T CB -0.149 68.689 68.868 -0.050 0.000 0.871 165 T HN 0.060 nan 8.240 nan 0.000 0.454 166 M N 1.755 121.179 119.600 -0.293 0.000 2.086 166 M HA 0.110 4.589 4.480 -0.000 0.000 0.261 166 M C 2.337 178.403 176.300 -0.390 0.000 1.067 166 M CA 1.484 56.501 55.300 -0.472 0.000 1.116 166 M CB -0.760 31.273 32.600 -0.946 0.000 1.348 166 M HN 0.195 nan 8.290 nan 0.000 0.407 167 A N -0.343 122.302 122.820 -0.291 0.000 1.933 167 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 167 A C 2.345 179.830 177.584 -0.164 0.000 1.175 167 A CA 2.025 53.941 52.037 -0.202 0.000 0.628 167 A CB -1.402 17.514 19.000 -0.140 0.000 0.814 167 A HN 0.636 nan 8.150 nan 0.000 0.444 168 A N -0.555 122.176 122.820 -0.148 0.000 1.930 168 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 168 A C 1.948 179.460 177.584 -0.120 0.000 1.175 168 A CA 1.522 53.492 52.037 -0.111 0.000 0.627 168 A CB -0.370 18.574 19.000 -0.094 0.000 0.815 168 A HN 0.493 nan 8.150 nan 0.000 0.443 169 E N -0.051 120.043 120.200 -0.177 0.000 2.150 169 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 169 E C 2.009 178.488 176.600 -0.201 0.000 0.985 169 E CA 0.795 57.082 56.400 -0.188 0.000 0.814 169 E CB -0.275 29.250 29.700 -0.293 0.000 0.752 169 E HN 0.676 nan 8.360 nan 0.000 0.466 170 L N 0.529 121.596 121.223 -0.261 0.000 2.109 170 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 170 L C 2.740 179.561 176.870 -0.082 0.000 1.086 170 L CA 1.035 55.775 54.840 -0.167 0.000 0.760 170 L CB -0.281 41.670 42.059 -0.179 0.000 0.910 170 L HN 0.107 nan 8.230 nan 0.000 0.437 171 Q N 0.585 120.332 119.800 -0.088 0.000 2.046 171 Q HA -0.230 4.110 4.340 -0.000 0.000 0.200 171 Q C 2.268 178.215 176.000 -0.088 0.000 0.975 171 Q CA 1.636 57.399 55.803 -0.067 0.000 0.836 171 Q CB -0.135 28.572 28.738 -0.052 0.000 0.896 171 Q HN 0.225 nan 8.270 nan 0.000 0.428 172 R N -0.610 119.835 120.500 -0.092 0.000 2.083 172 R HA -0.130 4.209 4.340 -0.000 0.000 0.237 172 R C 2.094 178.306 176.300 -0.146 0.000 1.137 172 R CA 2.127 58.141 56.100 -0.143 0.000 0.951 172 R CB -0.460 29.806 30.300 -0.057 0.000 0.851 172 R HN 0.560 nan 8.270 nan 0.000 0.434 173 T N -2.146 112.385 114.554 -0.038 0.000 3.035 173 T HA -0.048 4.302 4.350 -0.000 0.000 0.259 173 T C 0.775 175.480 174.700 0.008 0.000 1.078 173 T CA 0.516 62.629 62.100 0.021 0.000 1.132 173 T CB -0.279 68.682 68.868 0.156 0.000 0.900 173 T HN 0.433 nan 8.240 nan 0.000 0.480 174 N N 2.446 121.145 118.700 -0.002 0.000 2.686 174 N HA -0.095 4.645 4.740 -0.000 0.000 0.261 174 N C -2.564 172.953 175.510 0.011 0.000 1.001 174 N CA 0.402 53.447 53.050 -0.009 0.000 0.764 174 N CB -0.933 37.530 38.487 -0.041 0.000 0.898 174 N HN 0.401 nan 8.380 nan 0.000 0.544 175 P HA 0.109 nan 4.420 nan 0.000 0.268 175 P C 0.473 177.781 177.300 0.013 0.000 1.205 175 P CA 0.269 63.387 63.100 0.031 0.000 0.771 175 P CB 0.769 32.502 31.700 0.055 0.000 0.858 176 A N 2.419 125.241 122.820 0.003 0.000 2.066 176 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 176 A C 0.914 178.500 177.584 0.003 0.000 1.157 176 A CA 1.091 53.129 52.037 0.001 0.000 0.670 176 A CB -0.403 18.596 19.000 -0.003 0.000 0.804 176 A HN 0.701 nan 8.150 nan 0.000 0.453 177 E N -0.803 119.396 120.200 -0.002 0.000 2.321 177 E HA 0.523 4.873 4.350 -0.000 0.000 0.281 177 E C -2.048 174.532 176.600 -0.034 0.000 0.910 177 E CA -0.509 55.882 56.400 -0.014 0.000 0.770 177 E CB 1.336 31.031 29.700 -0.007 0.000 1.225 177 E HN 0.157 nan 8.360 nan 0.000 0.417 178 L N 6.827 128.034 121.223 -0.027 0.000 2.415 178 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 178 L C -1.352 175.535 176.870 0.027 0.000 0.984 178 L CA -0.696 54.147 54.840 0.005 0.000 0.853 178 L CB 0.867 42.949 42.059 0.037 0.000 1.215 178 L HN 0.612 nan 8.230 nan 0.000 0.419 179 L N 5.679 126.873 121.223 -0.050 0.000 2.331 179 L HA 0.384 4.724 4.340 -0.000 0.000 0.278 179 L C -0.745 176.219 176.870 0.156 0.000 1.106 179 L CA -0.510 54.295 54.840 -0.059 0.000 0.824 179 L CB 0.536 42.462 42.059 -0.223 0.000 1.142 179 L HN 0.492 nan 8.230 nan 0.000 0.443 180 Y N 1.332 121.629 120.300 -0.005 0.000 2.534 180 Y HA 0.798 5.348 4.550 -0.000 0.000 0.345 180 Y C -0.377 175.504 175.900 -0.032 0.000 1.031 180 Y CA -1.545 56.499 58.100 -0.094 0.000 1.022 180 Y CB 1.034 39.304 38.460 -0.316 0.000 1.292 180 Y HN 0.608 nan 8.280 nan 0.000 0.459 181 A N 2.461 125.169 122.820 -0.185 0.000 2.445 181 A HA 0.248 4.568 4.320 -0.000 0.000 0.242 181 A C 1.021 178.581 177.584 -0.039 0.000 1.075 181 A CA 0.028 51.932 52.037 -0.222 0.000 0.777 181 A CB 0.027 18.794 19.000 -0.389 0.000 1.013 181 A HN 1.005 nan 8.150 nan 0.000 0.493 182 E N 1.201 121.364 120.200 -0.061 0.000 2.130 182 E HA -0.278 4.072 4.350 -0.000 0.000 0.196 182 E C 0.805 177.483 176.600 0.130 0.000 0.998 182 E CA 1.579 57.994 56.400 0.024 0.000 0.806 182 E CB -0.270 29.438 29.700 0.014 0.000 0.738 182 E HN 0.758 nan 8.360 nan 0.000 0.459 183 D N 0.247 120.718 120.400 0.119 0.000 2.190 183 D HA -0.169 4.471 4.640 -0.000 0.000 0.200 183 D C -0.101 176.304 176.300 0.177 0.000 0.992 183 D CA 0.389 54.466 54.000 0.128 0.000 0.854 183 D CB -0.258 40.615 40.800 0.122 0.000 0.936 183 D HN 0.069 nan 8.370 nan 0.000 0.462 184 F N 0.072 120.071 119.950 0.082 0.000 2.512 184 F HA 0.006 4.533 4.527 -0.000 0.000 0.406 184 F C 1.228 177.060 175.800 0.053 0.000 0.990 184 F CA 0.004 58.057 58.000 0.088 0.000 1.137 184 F CB 0.449 39.573 39.000 0.207 0.000 0.960 184 F HN -0.043 nan 8.300 nan 0.000 0.533 185 A N 4.048 126.642 122.820 -0.377 0.000 1.943 185 A HA -0.019 4.301 4.320 -0.000 0.000 0.213 185 A C 1.216 178.575 177.584 -0.375 0.000 1.181 185 A CA 0.630 52.487 52.037 -0.300 0.000 0.653 185 A CB -0.290 18.549 19.000 -0.268 0.000 0.833 185 A HN 0.617 nan 8.150 nan 0.000 0.451 186 E N 0.349 120.116 120.200 -0.722 0.000 2.280 186 E HA 0.245 4.595 4.350 -0.000 0.000 0.279 186 E C 0.942 177.376 176.600 -0.276 0.000 1.325 186 E CA -0.186 55.949 56.400 -0.441 0.000 1.486 186 E CB -0.245 29.280 29.700 -0.291 0.000 1.466 186 E HN 0.300 nan 8.360 nan 0.000 0.473 187 M N 0.086 119.626 119.600 -0.101 0.000 2.460 187 M HA -0.112 4.367 4.480 -0.000 0.000 0.263 187 M C 1.604 177.923 176.300 0.033 0.000 1.071 187 M CA 0.806 56.148 55.300 0.070 0.000 1.096 187 M CB -0.791 31.841 32.600 0.054 0.000 1.408 187 M HN 0.293 nan 8.290 nan 0.000 0.463 188 S N 0.904 116.601 115.700 -0.004 0.000 2.402 188 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 188 S C 1.982 176.579 174.600 -0.004 0.000 1.030 188 S CA 1.106 59.300 58.200 -0.009 0.000 1.003 188 S CB -0.798 62.389 63.200 -0.022 0.000 0.813 188 S HN 0.471 nan 8.310 nan 0.000 0.477 189 L N 0.929 122.165 121.223 0.021 0.000 2.056 189 L HA 0.037 4.377 4.340 -0.000 0.000 0.207 189 L C 2.440 179.305 176.870 -0.008 0.000 1.078 189 L CA 1.494 56.338 54.840 0.006 0.000 0.749 189 L CB -0.446 41.639 42.059 0.043 0.000 0.901 189 L HN 0.482 nan 8.230 nan 0.000 0.433 190 I N -5.409 115.165 120.570 0.006 0.000 4.181 190 I HA 0.087 4.257 4.170 -0.000 0.000 0.331 190 I C 1.889 177.949 176.117 -0.094 0.000 1.312 190 I CA 0.155 61.408 61.300 -0.078 0.000 1.146 190 I CB -0.084 37.802 38.000 -0.190 0.000 1.074 190 I HN 0.064 nan 8.210 nan 0.000 0.402 191 E N 2.279 122.442 120.200 -0.063 0.000 2.136 191 E HA -0.236 4.114 4.350 -0.000 0.000 0.208 191 E C 2.166 178.746 176.600 -0.033 0.000 1.035 191 E CA 2.067 58.438 56.400 -0.049 0.000 0.838 191 E CB -0.300 29.388 29.700 -0.019 0.000 0.748 191 E HN 0.733 nan 8.360 nan 0.000 0.459 192 G N 0.403 109.188 108.800 -0.025 0.000 2.572 192 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 192 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 192 G C 0.543 175.436 174.900 -0.012 0.000 1.133 192 G CA -0.233 44.860 45.100 -0.013 0.000 0.791 192 G HN 0.039 nan 8.290 nan 0.000 0.538 193 R N 0.706 121.192 120.500 -0.023 0.000 2.734 193 R HA 0.218 4.558 4.340 -0.000 0.000 0.266 193 R C 0.725 177.023 176.300 -0.004 0.000 1.044 193 R CA -0.324 55.766 56.100 -0.017 0.000 1.128 193 R CB 0.500 30.782 30.300 -0.029 0.000 1.010 193 R HN 0.343 nan 8.270 nan 0.000 0.461 194 R N 0.056 120.558 120.500 0.004 0.000 2.577 194 R HA 0.225 4.565 4.340 -0.000 0.000 0.269 194 R C 0.324 176.634 176.300 0.016 0.000 1.084 194 R CA 0.261 56.369 56.100 0.014 0.000 1.163 194 R CB 0.395 30.703 30.300 0.013 0.000 1.100 194 R HN 0.770 nan 8.270 nan 0.000 0.547 195 G N 1.444 110.260 108.800 0.025 0.000 2.305 195 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.287 195 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.287 195 G C 0.036 174.956 174.900 0.034 0.000 1.036 195 G CA 0.403 45.519 45.100 0.026 0.000 0.887 195 G HN 0.487 nan 8.290 nan 0.000 0.505 196 L N -0.276 120.984 121.223 0.063 0.000 2.426 196 L HA 0.491 4.830 4.340 -0.000 0.000 0.271 196 L C 0.778 177.744 176.870 0.159 0.000 1.169 196 L CA -0.213 54.713 54.840 0.143 0.000 0.836 196 L CB 0.572 42.729 42.059 0.163 0.000 1.112 196 L HN 0.107 nan 8.230 nan 0.000 0.465 197 R N 3.122 123.720 120.500 0.164 0.000 2.539 197 R HA 0.268 4.608 4.340 -0.000 0.000 0.295 197 R C -0.845 175.282 176.300 -0.288 0.000 1.138 197 R CA -0.678 55.392 56.100 -0.050 0.000 0.936 197 R CB 1.556 31.734 30.300 -0.203 0.000 1.182 197 R HN 0.572 nan 8.270 nan 0.000 0.459 198 R N 2.785 123.045 120.500 -0.399 0.000 2.298 198 R HA 0.247 4.586 4.340 -0.000 0.000 0.310 198 R C -0.534 175.538 176.300 -0.381 0.000 1.068 198 R CA -0.257 55.396 56.100 -0.745 0.000 0.957 198 R CB 0.590 30.615 30.300 -0.459 0.000 1.003 198 R HN 0.287 nan 8.270 nan 0.000 0.454 199 R N 5.014 125.309 120.500 -0.343 0.000 2.740 199 R HA 0.456 4.796 4.340 -0.000 0.000 0.282 199 R C -2.502 173.723 176.300 -0.125 0.000 0.969 199 R CA -2.855 53.135 56.100 -0.184 0.000 0.918 199 R CB 1.275 31.508 30.300 -0.112 0.000 1.175 199 R HN 0.591 nan 8.270 nan 0.000 0.464 200 P HA 0.055 nan 4.420 nan 0.000 0.269 200 P C 0.827 178.030 177.300 -0.161 0.000 1.215 200 P CA -0.251 62.741 63.100 -0.180 0.000 0.780 200 P CB 0.967 32.502 31.700 -0.274 0.000 0.898 201 L N 1.971 123.208 121.223 0.022 0.000 2.131 201 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 201 L C 2.225 179.183 176.870 0.147 0.000 1.092 201 L CA 1.265 56.184 54.840 0.132 0.000 0.759 201 L CB -0.540 41.620 42.059 0.167 0.000 0.903 201 L HN 0.592 nan 8.230 nan 0.000 0.435 202 W N -0.102 121.259 121.300 0.102 0.000 2.611 202 W HA -0.109 4.551 4.660 -0.000 0.000 0.251 202 W C 1.284 177.794 176.519 -0.015 0.000 1.265 202 W CA 0.215 57.585 57.345 0.041 0.000 1.295 202 W CB -0.828 28.644 29.460 0.020 0.000 1.129 202 W HN 0.256 nan 8.180 nan 0.000 0.630 203 E N 0.324 120.181 120.200 -0.572 0.000 2.347 203 E HA -0.087 4.263 4.350 -0.000 0.000 0.196 203 E C 0.566 176.796 176.600 -0.615 0.000 1.008 203 E CA 0.784 56.777 56.400 -0.678 0.000 0.852 203 E CB -0.388 28.758 29.700 -0.924 0.000 0.783 203 E HN 0.278 nan 8.360 nan 0.000 0.505 204 F N 1.021 120.738 119.950 -0.389 0.000 2.668 204 F HA 0.148 4.675 4.527 -0.000 0.000 0.297 204 F C 0.890 176.405 175.800 -0.474 0.000 1.124 204 F CA -0.193 57.459 58.000 -0.581 0.000 1.353 204 F CB 0.439 38.843 39.000 -0.993 0.000 0.992 204 F HN -0.193 nan 8.300 nan 0.000 0.524 205 E N 1.783 121.929 120.200 -0.090 0.000 2.289 205 E HA 0.116 4.466 4.350 -0.000 0.000 0.278 205 E C 1.413 178.003 176.600 -0.017 0.000 1.032 205 E CA -0.016 56.381 56.400 -0.005 0.000 0.854 205 E CB 0.879 30.631 29.700 0.086 0.000 1.046 205 E HN 0.331 nan 8.360 nan 0.000 0.409 206 I N 3.245 123.828 120.570 0.023 0.000 2.091 206 I HA -0.343 3.827 4.170 -0.000 0.000 0.239 206 I C 1.379 177.512 176.117 0.026 0.000 1.061 206 I CA 1.274 62.596 61.300 0.037 0.000 1.317 206 I CB -0.373 37.675 38.000 0.079 0.000 1.031 206 I HN 0.443 nan 8.210 nan 0.000 0.401 207 D N 0.516 120.937 120.400 0.034 0.000 2.178 207 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 207 D C 2.232 178.543 176.300 0.018 0.000 0.974 207 D CA 1.376 55.393 54.000 0.029 0.000 0.841 207 D CB -0.316 40.504 40.800 0.033 0.000 0.953 207 D HN 0.320 nan 8.370 nan 0.000 0.478 208 T N 0.690 115.255 114.554 0.019 0.000 2.777 208 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 208 T C 2.028 176.719 174.700 -0.015 0.000 1.040 208 T CA 1.350 63.458 62.100 0.013 0.000 1.141 208 T CB -0.175 68.719 68.868 0.044 0.000 0.868 208 T HN 0.181 nan 8.240 nan 0.000 0.444 209 A N 1.849 124.649 122.820 -0.033 0.000 1.877 209 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 209 A C 2.359 179.923 177.584 -0.033 0.000 1.186 209 A CA 1.450 53.453 52.037 -0.055 0.000 0.620 209 A CB -0.519 18.438 19.000 -0.073 0.000 0.822 209 A HN 0.394 nan 8.150 nan 0.000 0.443 210 R N -0.968 119.530 120.500 -0.004 0.000 2.105 210 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 210 R C 2.533 178.836 176.300 0.006 0.000 1.135 210 R CA 1.558 57.669 56.100 0.017 0.000 0.967 210 R CB -0.264 30.056 30.300 0.034 0.000 0.861 210 R HN 0.724 nan 8.270 nan 0.000 0.442 211 Q N 0.395 120.192 119.800 -0.006 0.000 2.137 211 Q HA -0.173 4.167 4.340 -0.000 0.000 0.198 211 Q C 1.867 177.843 176.000 -0.040 0.000 0.960 211 Q CA 1.309 57.105 55.803 -0.010 0.000 0.847 211 Q CB 0.255 28.990 28.738 -0.005 0.000 0.915 211 Q HN 0.201 nan 8.270 nan 0.000 0.448 212 Q N 0.327 120.092 119.800 -0.059 0.000 2.119 212 Q HA -0.046 4.294 4.340 -0.000 0.000 0.201 212 Q C 2.058 177.952 176.000 -0.177 0.000 0.972 212 Q CA 1.184 56.928 55.803 -0.098 0.000 0.847 212 Q CB -0.016 28.666 28.738 -0.093 0.000 0.903 212 Q HN 0.366 nan 8.270 nan 0.000 0.433 213 L N -0.068 121.049 121.223 -0.177 0.000 2.044 213 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 213 L C 1.956 178.618 176.870 -0.347 0.000 1.075 213 L CA 0.805 55.437 54.840 -0.346 0.000 0.747 213 L CB -0.418 41.563 42.059 -0.130 0.000 0.903 213 L HN 0.269 nan 8.230 nan 0.000 0.435 214 N N 0.115 118.781 118.700 -0.056 0.000 2.205 214 N HA -0.193 4.547 4.740 -0.000 0.000 0.186 214 N C 1.828 177.346 175.510 0.013 0.000 1.015 214 N CA 1.235 54.325 53.050 0.068 0.000 0.862 214 N CB -0.134 38.403 38.487 0.084 0.000 0.986 214 N HN 0.170 nan 8.380 nan 0.000 0.429 215 L N 1.669 122.854 121.223 -0.063 0.000 2.056 215 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 215 L C 2.475 179.285 176.870 -0.099 0.000 1.078 215 L CA 1.555 56.360 54.840 -0.059 0.000 0.749 215 L CB -0.686 41.335 42.059 -0.063 0.000 0.901 215 L HN 0.033 nan 8.230 nan 0.000 0.433 216 Q N -0.828 118.821 119.800 -0.251 0.000 2.096 216 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 216 Q C 1.659 177.566 176.000 -0.154 0.000 0.982 216 Q CA 2.092 57.710 55.803 -0.308 0.000 0.850 216 Q CB -0.288 28.104 28.738 -0.577 0.000 0.901 216 Q HN 0.501 nan 8.270 nan 0.000 0.422 217 F N -1.262 118.716 119.950 0.047 0.000 2.776 217 F HA 0.401 4.928 4.527 -0.000 0.000 0.300 217 F C 1.574 177.450 175.800 0.127 0.000 1.116 217 F CA 0.269 58.325 58.000 0.094 0.000 1.375 217 F CB -0.089 38.999 39.000 0.147 0.000 1.109 217 F HN 0.187 nan 8.300 nan 0.000 0.585 218 G N 1.350 110.284 108.800 0.222 0.000 2.176 218 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 218 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 218 G C 0.262 175.260 174.900 0.164 0.000 1.024 218 G CA 0.456 45.649 45.100 0.155 0.000 0.755 218 G HN 0.541 nan 8.290 nan 0.000 0.507 219 T N -3.373 111.309 114.554 0.212 0.000 2.950 219 T HA 0.724 5.073 4.350 -0.000 0.000 0.288 219 T C 1.335 176.109 174.700 0.123 0.000 1.035 219 T CA -0.083 62.122 62.100 0.175 0.000 1.028 219 T CB 1.702 70.728 68.868 0.263 0.000 1.109 219 T HN 0.532 nan 8.240 nan 0.000 0.514 220 R N 0.436 120.986 120.500 0.083 0.000 2.128 220 R HA 0.292 4.632 4.340 -0.000 0.000 0.211 220 R C -0.197 176.145 176.300 0.071 0.000 1.067 220 R CA 0.430 56.567 56.100 0.062 0.000 1.010 220 R CB -0.410 29.913 30.300 0.038 0.000 0.922 220 R HN 0.755 nan 8.270 nan 0.000 0.457 221 D N -0.722 119.724 120.400 0.077 0.000 2.592 221 D HA 0.206 4.846 4.640 -0.000 0.000 0.263 221 D C 0.029 176.405 176.300 0.127 0.000 1.132 221 D CA -0.942 53.110 54.000 0.087 0.000 0.996 221 D CB 0.943 41.771 40.800 0.047 0.000 1.442 221 D HN -0.006 nan 8.370 nan 0.000 0.486 222 L N 0.826 122.142 121.223 0.155 0.000 2.700 222 L HA 0.212 4.552 4.340 -0.000 0.000 0.234 222 L C 1.453 178.391 176.870 0.115 0.000 1.156 222 L CA -0.265 54.735 54.840 0.267 0.000 0.946 222 L CB 0.286 42.527 42.059 0.303 0.000 1.216 222 L HN 0.320 nan 8.230 nan 0.000 0.493 223 V N 0.936 120.853 119.914 0.005 0.000 2.332 223 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 223 V C 2.610 178.626 176.094 -0.130 0.000 1.055 223 V CA 2.333 64.609 62.300 -0.040 0.000 1.038 223 V CB -0.875 30.925 31.823 -0.039 0.000 0.651 223 V HN 0.648 nan 8.190 nan 0.000 0.450 224 G N -0.851 107.773 108.800 -0.293 0.000 2.499 224 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 224 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 224 G C 1.159 175.743 174.900 -0.527 0.000 1.109 224 G CA 0.847 45.663 45.100 -0.473 0.000 0.749 224 G HN 0.560 nan 8.290 nan 0.000 0.568 225 F N -0.034 119.869 119.950 -0.078 0.000 2.695 225 F HA 0.372 4.899 4.527 -0.000 0.000 0.303 225 F C 1.893 177.646 175.800 -0.078 0.000 1.091 225 F CA -0.455 57.477 58.000 -0.112 0.000 1.300 225 F CB 0.071 38.961 39.000 -0.183 0.000 1.071 225 F HN 0.178 nan 8.300 nan 0.000 0.578 226 G N 1.201 110.042 108.800 0.069 0.000 2.221 226 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.265 226 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.265 226 G C 0.600 175.533 174.900 0.054 0.000 1.041 226 G CA 0.601 45.725 45.100 0.040 0.000 0.807 226 G HN 0.712 nan 8.290 nan 0.000 0.502 227 V N -3.485 116.477 119.914 0.080 0.000 3.330 227 V HA 0.558 4.678 4.120 -0.000 0.000 0.309 227 V C 1.649 177.785 176.094 0.070 0.000 1.481 227 V CA 1.237 63.575 62.300 0.063 0.000 1.068 227 V CB 0.856 32.703 31.823 0.039 0.000 0.935 227 V HN 0.263 nan 8.190 nan 0.000 0.453 228 E N 3.967 124.211 120.200 0.073 0.000 2.085 228 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 228 E C 1.556 178.191 176.600 0.059 0.000 0.994 228 E CA 2.153 58.595 56.400 0.069 0.000 0.801 228 E CB -0.231 29.501 29.700 0.054 0.000 0.743 228 E HN 0.901 nan 8.360 nan 0.000 0.453 229 N N -0.021 118.709 118.700 0.050 0.000 2.451 229 N HA 0.156 4.896 4.740 -0.000 0.000 0.264 229 N C -0.872 174.672 175.510 0.056 0.000 1.167 229 N CA 0.436 53.515 53.050 0.049 0.000 0.898 229 N CB 0.792 39.302 38.487 0.037 0.000 1.176 229 N HN 0.132 nan 8.380 nan 0.000 0.507 230 A N 0.935 123.794 122.820 0.066 0.000 3.214 230 A HA 0.402 4.722 4.320 -0.000 0.000 0.304 230 A C -1.532 176.114 177.584 0.103 0.000 0.969 230 A CA -1.028 51.055 52.037 0.077 0.000 0.986 230 A CB 0.775 19.814 19.000 0.066 0.000 1.073 230 A HN 0.128 nan 8.150 nan 0.000 0.487 231 P HA -0.208 nan 4.420 nan 0.000 0.216 231 P C 1.485 178.922 177.300 0.228 0.000 1.150 231 P CA 1.035 64.221 63.100 0.144 0.000 0.837 231 P CB 0.171 31.952 31.700 0.136 0.000 0.786 232 R N -0.299 120.363 120.500 0.270 0.000 2.083 232 R HA -0.093 4.246 4.340 -0.000 0.000 0.237 232 R C 2.718 179.282 176.300 0.440 0.000 1.137 232 R CA 1.908 58.276 56.100 0.447 0.000 0.951 232 R CB -1.390 29.077 30.300 0.278 0.000 0.851 232 R HN 0.244 nan 8.270 nan 0.000 0.434 233 G N 1.020 109.979 108.800 0.264 0.000 2.446 233 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 233 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 233 G C 1.464 176.439 174.900 0.126 0.000 1.168 233 G CA 0.552 45.771 45.100 0.199 0.000 0.771 233 G HN 0.150 nan 8.290 nan 0.000 0.551 234 L N 0.026 121.304 121.223 0.091 0.000 2.043 234 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 234 L C 3.077 179.946 176.870 -0.001 0.000 1.075 234 L CA 1.004 55.862 54.840 0.030 0.000 0.752 234 L CB -0.576 41.510 42.059 0.044 0.000 0.891 234 L HN 0.279 nan 8.230 nan 0.000 0.432 235 C N -0.527 118.786 119.300 0.022 0.000 2.429 235 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 235 C C 3.146 178.012 174.990 -0.206 0.000 1.262 235 C CA 0.656 59.580 59.018 -0.156 0.000 1.733 235 C CB -1.045 26.491 27.740 -0.340 0.000 2.010 235 C HN 0.631 nan 8.230 nan 0.000 0.483 236 A N 0.553 123.366 122.820 -0.011 0.000 1.877 236 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 236 A C 2.363 179.920 177.584 -0.044 0.000 1.186 236 A CA 2.120 54.207 52.037 0.084 0.000 0.620 236 A CB -0.934 18.224 19.000 0.264 0.000 0.822 236 A HN 0.583 nan 8.150 nan 0.000 0.443 237 A N -0.667 122.144 122.820 -0.014 0.000 1.972 237 A HA 0.150 4.470 4.320 -0.000 0.000 0.219 237 A C 2.318 179.924 177.584 0.037 0.000 1.169 237 A CA 1.828 53.887 52.037 0.037 0.000 0.635 237 A CB -1.155 17.773 19.000 -0.120 0.000 0.810 237 A HN 0.701 nan 8.150 nan 0.000 0.446 238 G N -1.241 107.501 108.800 -0.097 0.000 2.403 238 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 238 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 238 G C 1.741 176.494 174.900 -0.245 0.000 1.154 238 G CA 1.150 46.165 45.100 -0.141 0.000 0.784 238 G HN 0.604 nan 8.290 nan 0.000 0.538 239 C N 0.126 119.163 119.300 -0.439 0.000 2.453 239 C HA 0.133 4.593 4.460 -0.000 0.000 0.277 239 C C 2.722 177.513 174.990 -0.332 0.000 1.262 239 C CA 0.965 59.612 59.018 -0.619 0.000 1.718 239 C CB -1.091 25.848 27.740 -1.336 0.000 2.031 239 C HN 0.414 nan 8.230 nan 0.000 0.480 240 L N 0.394 121.485 121.223 -0.220 0.000 2.042 240 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 240 L C 2.443 179.257 176.870 -0.094 0.000 1.076 240 L CA 2.074 56.848 54.840 -0.110 0.000 0.749 240 L CB -0.518 41.521 42.059 -0.033 0.000 0.893 240 L HN 0.492 nan 8.230 nan 0.000 0.432 241 L N -0.480 120.688 121.223 -0.091 0.000 2.044 241 L HA -0.217 4.123 4.340 -0.000 0.000 0.205 241 L C 2.502 179.296 176.870 -0.126 0.000 1.075 241 L CA 1.660 56.416 54.840 -0.140 0.000 0.747 241 L CB -0.574 41.438 42.059 -0.078 0.000 0.903 241 L HN 0.314 nan 8.230 nan 0.000 0.435 242 Q N -1.490 118.241 119.800 -0.115 0.000 2.077 242 Q HA -0.312 4.028 4.340 -0.000 0.000 0.206 242 Q C 2.207 178.161 176.000 -0.076 0.000 0.989 242 Q CA 2.516 58.258 55.803 -0.101 0.000 0.853 242 Q CB -0.545 28.120 28.738 -0.122 0.000 0.907 242 Q HN 0.654 nan 8.270 nan 0.000 0.418 243 Y N 0.398 120.587 120.300 -0.185 0.000 2.242 243 Y HA -0.168 4.382 4.550 -0.000 0.000 0.291 243 Y C 2.123 177.943 175.900 -0.133 0.000 1.137 243 Y CA 1.127 59.133 58.100 -0.156 0.000 1.181 243 Y CB -0.223 38.136 38.460 -0.169 0.000 0.989 243 Y HN 0.099 nan 8.280 nan 0.000 0.527 244 A N 0.348 123.121 122.820 -0.079 0.000 1.902 244 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 244 A C 2.186 179.657 177.584 -0.188 0.000 1.181 244 A CA 1.934 53.881 52.037 -0.150 0.000 0.623 244 A CB -0.507 18.396 19.000 -0.162 0.000 0.818 244 A HN 0.493 nan 8.150 nan 0.000 0.443 245 K N -0.744 119.558 120.400 -0.162 0.000 2.097 245 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 245 K C 1.754 178.268 176.600 -0.143 0.000 1.050 245 K CA 1.426 57.632 56.287 -0.134 0.000 0.938 245 K CB -0.170 32.263 32.500 -0.111 0.000 0.718 245 K HN 0.525 nan 8.250 nan 0.000 0.442 246 D N -0.028 120.263 120.400 -0.181 0.000 2.178 246 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 246 D C 1.755 177.916 176.300 -0.233 0.000 0.974 246 D CA 1.558 55.448 54.000 -0.183 0.000 0.841 246 D CB 0.125 40.814 40.800 -0.186 0.000 0.953 246 D HN 0.255 nan 8.370 nan 0.000 0.478 247 T N -2.722 111.634 114.554 -0.331 0.000 2.951 247 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 247 T C 1.672 176.265 174.700 -0.178 0.000 1.073 247 T CA 0.673 62.593 62.100 -0.299 0.000 1.134 247 T CB -0.038 68.611 68.868 -0.365 0.000 0.884 247 T HN 0.050 nan 8.240 nan 0.000 0.479 248 Q N 0.112 119.825 119.800 -0.145 0.000 2.349 248 Q HA 0.235 4.575 4.340 -0.000 0.000 0.209 248 Q C 0.466 176.422 176.000 -0.074 0.000 0.920 248 Q CA 0.112 55.858 55.803 -0.096 0.000 0.901 248 Q CB 0.116 28.808 28.738 -0.077 0.000 1.021 248 Q HN 0.384 nan 8.270 nan 0.000 0.519 249 R N 0.444 120.898 120.500 -0.077 0.000 3.422 249 R HA -0.116 4.224 4.340 -0.000 0.000 0.267 249 R C -0.494 175.782 176.300 -0.040 0.000 1.074 249 R CA 0.809 56.876 56.100 -0.055 0.000 0.718 249 R CB -2.847 27.426 30.300 -0.045 0.000 1.157 249 R HN 0.256 nan 8.270 nan 0.000 0.440 250 T N -0.723 113.806 114.554 -0.042 0.000 2.889 250 T HA 0.358 4.708 4.350 -0.000 0.000 0.315 250 T C -0.176 174.507 174.700 -0.027 0.000 1.291 250 T CA 0.173 62.256 62.100 -0.029 0.000 1.028 250 T CB 1.562 70.414 68.868 -0.027 0.000 1.235 250 T HN 0.262 nan 8.240 nan 0.000 0.491 251 T N 1.625 116.168 114.554 -0.017 0.000 2.855 251 T HA 0.456 4.806 4.350 -0.000 0.000 0.314 251 T C 0.245 174.953 174.700 0.013 0.000 1.077 251 T CA -0.427 61.666 62.100 -0.012 0.000 1.095 251 T CB 0.079 68.945 68.868 -0.004 0.000 0.987 251 T HN 0.433 nan 8.240 nan 0.000 0.546 252 L N 2.865 124.101 121.223 0.022 0.000 2.556 252 L HA 0.282 4.622 4.340 -0.000 0.000 0.243 252 L C -1.569 175.372 176.870 0.118 0.000 1.331 252 L CA -1.913 52.985 54.840 0.097 0.000 0.927 252 L CB 1.421 43.457 42.059 -0.037 0.000 1.219 252 L HN 0.551 nan 8.230 nan 0.000 0.490 253 P HA -0.165 nan 4.420 nan 0.000 0.223 253 P C 1.185 178.579 177.300 0.156 0.000 1.151 253 P CA 1.172 64.340 63.100 0.114 0.000 0.787 253 P CB -0.082 31.657 31.700 0.066 0.000 0.788 254 H N -0.364 118.698 119.070 -0.013 0.000 2.546 254 H HA 0.095 4.651 4.556 -0.000 0.000 0.277 254 H C 0.650 175.990 175.328 0.021 0.000 1.004 254 H CA 0.001 56.047 56.048 -0.005 0.000 1.231 254 H CB -1.213 28.530 29.762 -0.032 0.000 1.382 254 H HN 0.170 nan 8.280 nan 0.000 0.580 255 I N 3.422 123.845 120.570 -0.244 0.000 2.276 255 I HA 0.175 4.345 4.170 -0.000 0.000 0.290 255 I C 1.073 177.282 176.117 0.153 0.000 1.109 255 I CA -0.230 60.990 61.300 -0.133 0.000 1.229 255 I CB 0.526 38.365 38.000 -0.267 0.000 1.452 255 I HN 0.220 nan 8.210 nan 0.000 0.497 256 R N 2.191 122.781 120.500 0.150 0.000 2.476 256 R HA 0.411 4.750 4.340 -0.000 0.000 0.276 256 R C 0.227 176.431 176.300 -0.160 0.000 0.941 256 R CA -0.217 55.999 56.100 0.194 0.000 1.088 256 R CB 0.779 31.158 30.300 0.132 0.000 1.216 256 R HN 0.371 nan 8.270 nan 0.000 0.533 257 S N 0.279 115.725 115.700 -0.422 0.000 2.570 257 S HA 0.619 5.089 4.470 -0.000 0.000 0.270 257 S C -1.733 172.364 174.600 -0.839 0.000 1.149 257 S CA -0.733 56.910 58.200 -0.929 0.000 0.837 257 S CB 1.906 64.939 63.200 -0.278 0.000 1.124 257 S HN 0.288 nan 8.310 nan 0.000 0.465 258 I N 1.736 121.641 120.570 -1.107 0.000 2.769 258 I HA 0.638 4.808 4.170 -0.000 0.000 0.298 258 I C -1.221 174.688 176.117 -0.346 0.000 1.128 258 I CA -0.126 60.811 61.300 -0.605 0.000 1.031 258 I CB 2.389 39.941 38.000 -0.747 0.000 1.235 258 I HN 0.624 nan 8.210 nan 0.000 0.423 259 T N 6.872 121.311 114.554 -0.192 0.000 2.893 259 T HA 0.437 4.787 4.350 -0.000 0.000 0.291 259 T C -0.743 173.920 174.700 -0.062 0.000 1.028 259 T CA -0.521 61.535 62.100 -0.074 0.000 0.995 259 T CB 1.822 70.676 68.868 -0.025 0.000 1.051 259 T HN 0.565 nan 8.240 nan 0.000 0.470 260 M N 2.128 121.714 119.600 -0.022 0.000 2.238 260 M HA 0.407 4.887 4.480 -0.000 0.000 0.350 260 M C -0.738 175.568 176.300 0.011 0.000 1.138 260 M CA -0.409 54.889 55.300 -0.004 0.000 1.040 260 M CB 0.945 33.550 32.600 0.009 0.000 1.639 260 M HN 0.547 nan 8.290 nan 0.000 0.451 261 E N 4.798 125.014 120.200 0.026 0.000 2.035 261 E HA 0.290 4.640 4.350 -0.000 0.000 0.271 261 E C -1.091 175.525 176.600 0.028 0.000 0.953 261 E CA -0.342 56.076 56.400 0.029 0.000 0.777 261 E CB 1.020 30.749 29.700 0.049 0.000 1.104 261 E HN 0.579 nan 8.360 nan 0.000 0.408 262 R N 2.185 122.692 120.500 0.012 0.000 2.349 262 R HA 0.102 4.442 4.340 -0.000 0.000 0.299 262 R C 1.044 177.341 176.300 -0.006 0.000 1.027 262 R CA -0.358 55.746 56.100 0.007 0.000 0.958 262 R CB 1.168 31.467 30.300 -0.002 0.000 1.047 262 R HN 0.592 nan 8.270 nan 0.000 0.468 263 E N 2.223 122.421 120.200 -0.004 0.000 2.070 263 E HA -0.309 4.041 4.350 -0.000 0.000 0.197 263 E C 1.219 177.796 176.600 -0.037 0.000 1.004 263 E CA 1.971 58.361 56.400 -0.017 0.000 0.805 263 E CB 0.242 29.937 29.700 -0.008 0.000 0.744 263 E HN 0.607 nan 8.360 nan 0.000 0.451 264 Q N 0.030 119.807 119.800 -0.038 0.000 2.508 264 Q HA -0.135 4.205 4.340 -0.000 0.000 0.214 264 Q C 0.943 176.898 176.000 -0.075 0.000 0.979 264 Q CA 1.397 57.164 55.803 -0.060 0.000 0.911 264 Q CB 0.153 28.860 28.738 -0.053 0.000 0.969 264 Q HN 0.186 nan 8.270 nan 0.000 0.504 265 D N 0.473 120.836 120.400 -0.062 0.000 2.327 265 D HA 0.025 4.665 4.640 -0.000 0.000 0.205 265 D C 0.199 176.451 176.300 -0.079 0.000 0.989 265 D CA 0.816 54.776 54.000 -0.067 0.000 0.873 265 D CB 0.403 41.175 40.800 -0.046 0.000 0.955 265 D HN 0.367 nan 8.370 nan 0.000 0.515 266 S N -0.527 115.127 115.700 -0.077 0.000 2.634 266 S HA 0.566 5.036 4.470 -0.000 0.000 0.296 266 S C -0.181 174.351 174.600 -0.113 0.000 1.104 266 S CA -0.926 57.225 58.200 -0.081 0.000 0.920 266 S CB 1.840 65.013 63.200 -0.045 0.000 1.111 266 S HN -0.038 nan 8.310 nan 0.000 0.493 267 I N 1.806 122.300 120.570 -0.127 0.000 2.452 267 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 267 I C -0.351 175.693 176.117 -0.122 0.000 1.079 267 I CA -0.386 60.822 61.300 -0.154 0.000 1.387 267 I CB 0.206 38.104 38.000 -0.172 0.000 1.404 267 I HN 0.525 nan 8.210 nan 0.000 0.522 268 I N 7.706 128.191 120.570 -0.142 0.000 2.496 268 I HA 0.195 4.365 4.170 -0.000 0.000 0.285 268 I C 0.129 176.116 176.117 -0.217 0.000 1.080 268 I CA 0.520 61.731 61.300 -0.149 0.000 1.404 268 I CB 0.413 38.327 38.000 -0.143 0.000 1.403 268 I HN 0.470 nan 8.210 nan 0.000 0.539 269 M N 5.512 125.011 119.600 -0.168 0.000 2.267 269 M HA 0.286 4.766 4.480 -0.000 0.000 0.289 269 M C -1.064 175.159 176.300 -0.129 0.000 1.043 269 M CA -0.861 54.331 55.300 -0.180 0.000 0.928 269 M CB 2.094 34.634 32.600 -0.100 0.000 1.613 269 M HN 0.571 nan 8.290 nan 0.000 0.450 270 D N 1.566 121.880 120.400 -0.143 0.000 2.383 270 D HA 0.531 5.170 4.640 -0.000 0.000 0.248 270 D C 1.063 177.340 176.300 -0.038 0.000 1.170 270 D CA -0.541 53.413 54.000 -0.076 0.000 0.977 270 D CB 0.872 41.648 40.800 -0.040 0.000 1.120 270 D HN 0.586 nan 8.370 nan 0.000 0.481 271 A N 0.852 123.656 122.820 -0.027 0.000 1.873 271 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 271 A C 2.251 179.837 177.584 0.004 0.000 1.193 271 A CA 2.504 54.532 52.037 -0.014 0.000 0.629 271 A CB -1.637 17.350 19.000 -0.022 0.000 0.826 271 A HN 0.728 nan 8.150 nan 0.000 0.447 272 A N -1.384 121.441 122.820 0.008 0.000 1.948 272 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 272 A C 2.312 179.909 177.584 0.022 0.000 1.177 272 A CA 2.508 54.556 52.037 0.019 0.000 0.636 272 A CB -1.327 17.690 19.000 0.028 0.000 0.815 272 A HN 0.472 nan 8.150 nan 0.000 0.449 273 T N -1.091 113.472 114.554 0.014 0.000 2.777 273 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 273 T C 2.099 176.803 174.700 0.006 0.000 1.040 273 T CA 1.442 63.545 62.100 0.005 0.000 1.141 273 T CB -0.188 68.655 68.868 -0.041 0.000 0.868 273 T HN 0.507 nan 8.240 nan 0.000 0.444 274 R N 0.590 121.099 120.500 0.014 0.000 2.083 274 R HA -0.003 4.337 4.340 -0.000 0.000 0.237 274 R C 2.735 179.069 176.300 0.056 0.000 1.137 274 R CA 1.345 57.473 56.100 0.048 0.000 0.951 274 R CB -0.043 30.311 30.300 0.091 0.000 0.851 274 R HN 0.292 nan 8.270 nan 0.000 0.434 275 R N -0.226 120.302 120.500 0.047 0.000 2.075 275 R HA -0.047 4.293 4.340 -0.000 0.000 0.232 275 R C 1.883 178.205 176.300 0.036 0.000 1.126 275 R CA 1.355 57.481 56.100 0.044 0.000 0.963 275 R CB -0.294 30.025 30.300 0.032 0.000 0.858 275 R HN 0.229 nan 8.270 nan 0.000 0.435 276 N N 0.772 119.490 118.700 0.031 0.000 2.244 276 N HA -0.084 4.656 4.740 -0.000 0.000 0.183 276 N C 1.604 177.137 175.510 0.038 0.000 1.016 276 N CA 0.926 53.995 53.050 0.032 0.000 0.866 276 N CB -0.047 38.458 38.487 0.030 0.000 0.980 276 N HN 0.189 nan 8.380 nan 0.000 0.430 277 L N 0.622 121.862 121.223 0.028 0.000 2.492 277 L HA 0.082 4.422 4.340 -0.000 0.000 0.223 277 L C -0.184 176.700 176.870 0.023 0.000 1.132 277 L CA 0.222 55.073 54.840 0.019 0.000 0.850 277 L CB -0.297 41.754 42.059 -0.013 0.000 0.966 277 L HN 0.176 nan 8.230 nan 0.000 0.454 278 E N 0.119 120.338 120.200 0.032 0.000 2.210 278 E HA -0.262 4.088 4.350 -0.000 0.000 0.201 278 E C 0.954 177.564 176.600 0.016 0.000 1.339 278 E CA 0.031 56.454 56.400 0.038 0.000 0.699 278 E CB -1.213 28.519 29.700 0.053 0.000 1.126 278 E HN 0.537 nan 8.360 nan 0.000 0.355 279 I N -0.412 120.146 120.570 -0.019 0.000 2.162 279 I HA -0.188 3.982 4.170 -0.000 0.000 0.238 279 I C 2.410 178.500 176.117 -0.045 0.000 1.076 279 I CA 2.031 63.267 61.300 -0.107 0.000 1.353 279 I CB -0.273 37.515 38.000 -0.353 0.000 1.063 279 I HN 0.344 nan 8.210 nan 0.000 0.408 280 T N -3.467 111.120 114.554 0.055 0.000 2.964 280 T HA 0.190 4.540 4.350 -0.000 0.000 0.249 280 T C 0.811 175.566 174.700 0.091 0.000 1.000 280 T CA -0.209 61.961 62.100 0.116 0.000 0.992 280 T CB 0.403 69.427 68.868 0.260 0.000 1.087 280 T HN 0.117 nan 8.240 nan 0.000 0.489 281 Q N 2.220 122.075 119.800 0.092 0.000 2.337 281 Q HA 0.490 4.829 4.340 -0.000 0.000 0.266 281 Q C -1.060 174.970 176.000 0.050 0.000 1.023 281 Q CA -0.826 55.015 55.803 0.063 0.000 0.829 281 Q CB 1.848 30.623 28.738 0.062 0.000 1.306 281 Q HN 0.542 nan 8.270 nan 0.000 0.449 282 N N 0.881 119.604 118.700 0.038 0.000 2.434 282 N HA 0.134 4.874 4.740 -0.000 0.000 0.266 282 N C 0.638 176.166 175.510 0.029 0.000 1.223 282 N CA -0.391 52.679 53.050 0.033 0.000 0.972 282 N CB 0.736 39.240 38.487 0.028 0.000 1.207 282 N HN 0.549 nan 8.380 nan 0.000 0.525 283 L N -0.872 120.366 121.223 0.025 0.000 2.127 283 L HA -0.124 4.216 4.340 -0.000 0.000 0.211 283 L C 2.090 178.970 176.870 0.017 0.000 1.089 283 L CA 1.574 56.426 54.840 0.021 0.000 0.757 283 L CB -0.610 41.459 42.059 0.017 0.000 0.899 283 L HN 0.844 nan 8.230 nan 0.000 0.434 284 A N -0.630 122.200 122.820 0.016 0.000 2.252 284 A HA 0.301 4.621 4.320 -0.000 0.000 0.207 284 A C 1.764 179.357 177.584 0.014 0.000 1.194 284 A CA 0.767 52.812 52.037 0.013 0.000 0.809 284 A CB -0.574 18.433 19.000 0.012 0.000 0.814 284 A HN 0.559 nan 8.150 nan 0.000 0.482 285 G N -2.204 106.606 108.800 0.017 0.000 2.195 285 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.246 285 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.246 285 G C 0.819 175.729 174.900 0.018 0.000 0.984 285 G CA 0.313 45.423 45.100 0.017 0.000 0.633 285 G HN 1.360 nan 8.290 nan 0.000 0.525 286 G N -0.992 107.819 108.800 0.018 0.000 2.525 286 G HA2 0.698 4.658 3.960 -0.000 0.000 0.287 286 G HA3 0.698 4.658 3.960 -0.000 0.000 0.287 286 G C 0.953 175.866 174.900 0.022 0.000 1.350 286 G CA 0.649 45.760 45.100 0.017 0.000 1.039 286 G HN 1.325 nan 8.290 nan 0.000 0.513 287 A N -1.339 121.493 122.820 0.020 0.000 2.431 287 A HA 0.481 4.801 4.320 -0.000 0.000 0.239 287 A C 0.724 178.322 177.584 0.023 0.000 1.230 287 A CA 0.239 52.290 52.037 0.024 0.000 0.928 287 A CB 0.194 19.205 19.000 0.020 0.000 1.006 287 A HN 0.472 nan 8.150 nan 0.000 0.520 288 E N 0.519 120.730 120.200 0.020 0.000 2.280 288 E HA 0.433 4.783 4.350 -0.000 0.000 0.264 288 E C -0.238 176.376 176.600 0.023 0.000 1.064 288 E CA -0.235 56.176 56.400 0.019 0.000 0.900 288 E CB 0.333 30.042 29.700 0.015 0.000 1.123 288 E HN 0.217 nan 8.360 nan 0.000 0.418 289 N N 0.308 119.023 118.700 0.025 0.000 2.740 289 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 289 N C -1.139 174.395 175.510 0.040 0.000 1.062 289 N CA 1.206 54.273 53.050 0.029 0.000 0.704 289 N CB -1.603 36.896 38.487 0.021 0.000 0.968 289 N HN 0.338 nan 8.380 nan 0.000 0.547 290 T N -0.660 113.919 114.554 0.041 0.000 2.916 290 T HA 0.525 4.875 4.350 -0.000 0.000 0.292 290 T C 1.255 175.981 174.700 0.043 0.000 1.064 290 T CA -0.680 61.446 62.100 0.043 0.000 1.011 290 T CB 1.753 70.642 68.868 0.036 0.000 1.152 290 T HN 0.079 nan 8.240 nan 0.000 0.510 291 L N 3.259 124.500 121.223 0.030 0.000 2.027 291 L HA 0.191 4.531 4.340 -0.000 0.000 0.206 291 L C 2.555 179.438 176.870 0.022 0.000 1.074 291 L CA 2.526 57.378 54.840 0.019 0.000 0.745 291 L CB -0.958 41.091 42.059 -0.017 0.000 0.898 291 L HN 0.801 nan 8.230 nan 0.000 0.433 292 A N -0.723 122.105 122.820 0.014 0.000 1.986 292 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 292 A C 2.480 180.076 177.584 0.021 0.000 1.171 292 A CA 2.182 54.230 52.037 0.018 0.000 0.640 292 A CB -1.185 17.829 19.000 0.023 0.000 0.811 292 A HN 0.698 nan 8.150 nan 0.000 0.451 293 S N -0.818 114.896 115.700 0.024 0.000 2.423 293 S HA -0.057 4.413 4.470 -0.000 0.000 0.231 293 S C 1.598 176.210 174.600 0.021 0.000 1.014 293 S CA 1.383 59.595 58.200 0.020 0.000 0.965 293 S CB -0.504 62.709 63.200 0.023 0.000 0.785 293 S HN 0.295 nan 8.310 nan 0.000 0.495 294 V N 1.298 121.231 119.914 0.031 0.000 2.492 294 V HA 0.203 4.323 4.120 -0.000 0.000 0.241 294 V C 2.382 178.498 176.094 0.036 0.000 1.041 294 V CA 0.825 63.147 62.300 0.036 0.000 1.057 294 V CB -0.684 31.174 31.823 0.059 0.000 0.711 294 V HN 0.400 nan 8.190 nan 0.000 0.468 295 L N 0.121 121.373 121.223 0.049 0.000 2.395 295 L HA 0.056 4.396 4.340 -0.000 0.000 0.218 295 L C 0.869 177.750 176.870 0.019 0.000 1.130 295 L CA 0.808 55.680 54.840 0.053 0.000 0.826 295 L CB -0.124 41.982 42.059 0.079 0.000 0.941 295 L HN 0.331 nan 8.230 nan 0.000 0.451 296 D N -0.427 119.978 120.400 0.007 0.000 2.557 296 D HA 0.127 4.766 4.640 -0.000 0.000 0.236 296 D C -0.255 176.035 176.300 -0.016 0.000 1.154 296 D CA -0.249 53.745 54.000 -0.011 0.000 0.985 296 D CB 0.255 41.049 40.800 -0.010 0.000 1.010 296 D HN 0.029 nan 8.370 nan 0.000 0.516 297 C N 3.120 122.407 119.300 -0.022 0.000 2.352 297 C HA 0.246 4.706 4.460 -0.000 0.000 0.321 297 C C 0.945 175.917 174.990 -0.031 0.000 1.407 297 C CA -0.584 58.419 59.018 -0.024 0.000 1.783 297 C CB -1.815 25.912 27.740 -0.023 0.000 2.698 297 C HN 0.564 nan 8.230 nan 0.000 0.555 298 T N -1.318 113.212 114.554 -0.040 0.000 2.802 298 T HA 0.291 4.641 4.350 -0.000 0.000 0.305 298 T C 1.067 175.744 174.700 -0.038 0.000 1.053 298 T CA 0.091 62.161 62.100 -0.050 0.000 1.058 298 T CB 1.118 69.942 68.868 -0.073 0.000 0.988 298 T HN 0.459 nan 8.240 nan 0.000 0.539 299 V N -2.454 117.437 119.914 -0.037 0.000 3.605 299 V HA 0.341 4.461 4.120 -0.000 0.000 0.284 299 V C 0.764 176.842 176.094 -0.027 0.000 1.386 299 V CA 0.305 62.590 62.300 -0.026 0.000 1.053 299 V CB -0.797 31.014 31.823 -0.019 0.000 0.857 299 V HN 1.200 nan 8.190 nan 0.000 0.436 300 T N -3.259 111.273 114.554 -0.036 0.000 2.876 300 T HA 0.622 4.972 4.350 -0.000 0.000 0.289 300 T C -2.210 172.464 174.700 -0.044 0.000 1.014 300 T CA -1.704 60.374 62.100 -0.036 0.000 0.986 300 T CB 2.222 71.067 68.868 -0.038 0.000 1.021 300 T HN -0.022 nan 8.240 nan 0.000 0.458 301 P HA -0.114 nan 4.420 nan 0.000 0.216 301 P C 1.843 179.113 177.300 -0.049 0.000 1.150 301 P CA 1.345 64.420 63.100 -0.041 0.000 0.837 301 P CB -0.223 31.455 31.700 -0.037 0.000 0.786 302 M N -2.549 117.020 119.600 -0.051 0.000 2.229 302 M HA 0.057 4.537 4.480 -0.000 0.000 0.264 302 M C 2.147 178.396 176.300 -0.085 0.000 1.063 302 M CA 2.285 57.551 55.300 -0.056 0.000 1.114 302 M CB -1.751 30.821 32.600 -0.046 0.000 1.387 302 M HN -0.178 nan 8.290 nan 0.000 0.420 303 G N 0.179 108.922 108.800 -0.094 0.000 2.408 303 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 303 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 303 G C 1.637 176.445 174.900 -0.153 0.000 1.150 303 G CA 0.958 45.974 45.100 -0.139 0.000 0.776 303 G HN 0.526 nan 8.290 nan 0.000 0.542 304 S N 0.099 115.738 115.700 -0.101 0.000 2.383 304 S HA -0.053 4.417 4.470 -0.000 0.000 0.227 304 S C 2.465 177.018 174.600 -0.078 0.000 1.026 304 S CA 1.131 59.282 58.200 -0.082 0.000 0.981 304 S CB -0.191 62.978 63.200 -0.051 0.000 0.818 304 S HN 0.439 nan 8.310 nan 0.000 0.472 305 R N 0.097 120.554 120.500 -0.072 0.000 2.090 305 R HA 0.070 4.410 4.340 -0.000 0.000 0.228 305 R C 2.549 178.804 176.300 -0.076 0.000 1.110 305 R CA 1.479 57.549 56.100 -0.050 0.000 0.973 305 R CB -0.367 29.911 30.300 -0.036 0.000 0.869 305 R HN 0.482 nan 8.270 nan 0.000 0.440 306 M N 0.787 120.293 119.600 -0.156 0.000 2.132 306 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 306 M C 2.100 178.116 176.300 -0.473 0.000 1.065 306 M CA 1.348 56.478 55.300 -0.282 0.000 1.122 306 M CB -0.016 32.351 32.600 -0.388 0.000 1.365 306 M HN 0.153 nan 8.290 nan 0.000 0.411 307 L N 0.857 121.833 121.223 -0.413 0.000 2.017 307 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 307 L C 2.000 178.835 176.870 -0.059 0.000 1.073 307 L CA 2.009 56.653 54.840 -0.326 0.000 0.745 307 L CB -0.667 41.274 42.059 -0.197 0.000 0.894 307 L HN 0.214 nan 8.230 nan 0.000 0.432 308 K N -0.848 119.546 120.400 -0.010 0.000 2.209 308 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 308 K C 2.168 178.892 176.600 0.206 0.000 1.048 308 K CA 1.238 57.588 56.287 0.105 0.000 0.940 308 K CB -0.141 32.422 32.500 0.105 0.000 0.729 308 K HN 0.377 nan 8.250 nan 0.000 0.451 309 R N -0.362 120.235 120.500 0.162 0.000 2.092 309 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 309 R C 1.950 178.477 176.300 0.378 0.000 1.119 309 R CA 1.216 57.461 56.100 0.242 0.000 0.970 309 R CB -0.134 30.289 30.300 0.205 0.000 0.864 309 R HN 0.272 nan 8.270 nan 0.000 0.440 310 W N 1.143 122.488 121.300 0.074 0.000 2.358 310 W HA -0.056 4.604 4.660 -0.000 0.000 0.303 310 W C 1.954 178.504 176.519 0.051 0.000 1.208 310 W CA 0.629 58.011 57.345 0.060 0.000 1.274 310 W CB -0.826 28.664 29.460 0.050 0.000 1.138 310 W HN 0.038 nan 8.180 nan 0.000 0.515 311 L N -1.101 120.281 121.223 0.266 0.000 2.141 311 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 311 L C 2.273 179.139 176.870 -0.006 0.000 1.094 311 L CA 1.065 55.959 54.840 0.089 0.000 0.763 311 L CB -0.806 41.248 42.059 -0.007 0.000 0.908 311 L HN 0.073 nan 8.230 nan 0.000 0.437 312 H N -1.376 117.756 119.070 0.104 0.000 2.548 312 H HA 0.164 4.720 4.556 -0.000 0.000 0.265 312 H C 0.412 175.773 175.328 0.055 0.000 0.969 312 H CA 0.429 56.517 56.048 0.065 0.000 1.155 312 H CB 0.733 30.531 29.762 0.059 0.000 1.394 312 H HN 0.209 nan 8.280 nan 0.000 0.570 313 M N 1.371 121.072 119.600 0.167 0.000 2.720 313 M HA 0.296 4.776 4.480 -0.000 0.000 0.250 313 M C -2.818 173.510 176.300 0.046 0.000 1.280 313 M CA -1.675 53.683 55.300 0.097 0.000 0.579 313 M CB 1.485 34.149 32.600 0.106 0.000 1.469 313 M HN -0.258 nan 8.290 nan 0.000 0.416 314 P HA 0.216 nan 4.420 nan 0.000 0.271 314 P C -1.027 176.267 177.300 -0.010 0.000 1.216 314 P CA -0.336 62.784 63.100 0.033 0.000 0.776 314 P CB 0.677 32.415 31.700 0.063 0.000 0.881 315 V N 0.953 120.863 119.914 -0.007 0.000 2.628 315 V HA 0.461 4.581 4.120 -0.000 0.000 0.306 315 V C 1.121 177.199 176.094 -0.026 0.000 1.045 315 V CA -0.746 61.525 62.300 -0.049 0.000 0.905 315 V CB 2.250 34.023 31.823 -0.083 0.000 0.997 315 V HN 0.361 nan 8.190 nan 0.000 0.436 316 R N 0.809 121.241 120.500 -0.113 0.000 2.280 316 R HA 0.025 4.365 4.340 -0.000 0.000 0.207 316 R C 0.111 176.354 176.300 -0.095 0.000 1.043 316 R CA 0.678 56.680 56.100 -0.163 0.000 1.006 316 R CB -0.021 30.155 30.300 -0.207 0.000 0.885 316 R HN 0.933 nan 8.270 nan 0.000 0.467 317 D N 1.449 121.792 120.400 -0.094 0.000 2.374 317 D HA -0.020 4.620 4.640 -0.000 0.000 0.240 317 D C 1.203 177.408 176.300 -0.160 0.000 1.229 317 D CA 0.020 53.952 54.000 -0.114 0.000 0.895 317 D CB 1.172 41.915 40.800 -0.094 0.000 1.046 317 D HN 0.105 nan 8.370 nan 0.000 0.498 318 T N 1.727 116.138 114.554 -0.238 0.000 2.881 318 T HA -0.201 4.149 4.350 -0.000 0.000 0.270 318 T C 1.808 176.402 174.700 -0.177 0.000 1.068 318 T CA 0.793 62.660 62.100 -0.390 0.000 1.131 318 T CB -0.093 68.471 68.868 -0.506 0.000 0.871 318 T HN 0.346 nan 8.240 nan 0.000 0.479 319 R N 0.553 120.988 120.500 -0.108 0.000 2.097 319 R HA -0.052 4.288 4.340 -0.000 0.000 0.236 319 R C 2.618 178.887 176.300 -0.052 0.000 1.135 319 R CA 1.645 57.711 56.100 -0.057 0.000 0.934 319 R CB -1.117 29.155 30.300 -0.046 0.000 0.846 319 R HN 0.293 nan 8.270 nan 0.000 0.431 320 V N 1.745 121.614 119.914 -0.075 0.000 2.380 320 V HA -0.258 3.861 4.120 -0.000 0.000 0.251 320 V C 2.346 178.395 176.094 -0.075 0.000 1.063 320 V CA 1.746 63.995 62.300 -0.085 0.000 1.055 320 V CB -0.457 31.289 31.823 -0.128 0.000 0.657 320 V HN 0.285 nan 8.190 nan 0.000 0.455 321 L N -1.050 120.129 121.223 -0.074 0.000 1.988 321 L HA -0.173 4.166 4.340 -0.000 0.000 0.207 321 L C 2.422 179.349 176.870 0.095 0.000 1.071 321 L CA 1.573 56.406 54.840 -0.012 0.000 0.744 321 L CB -0.655 41.361 42.059 -0.071 0.000 0.893 321 L HN 0.257 nan 8.230 nan 0.000 0.433 322 L N -0.257 121.041 121.223 0.125 0.000 2.081 322 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 322 L C 2.614 179.541 176.870 0.095 0.000 1.080 322 L CA 1.375 56.303 54.840 0.145 0.000 0.754 322 L CB -0.477 41.655 42.059 0.123 0.000 0.893 322 L HN 0.345 nan 8.230 nan 0.000 0.433 323 E N -0.087 120.146 120.200 0.055 0.000 2.106 323 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 323 E C 2.379 179.011 176.600 0.054 0.000 0.984 323 E CA 0.874 57.299 56.400 0.042 0.000 0.806 323 E CB 0.141 29.849 29.700 0.014 0.000 0.750 323 E HN 0.396 nan 8.360 nan 0.000 0.458 324 R N 0.026 120.555 120.500 0.049 0.000 2.092 324 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 324 R C 2.497 178.868 176.300 0.117 0.000 1.119 324 R CA 1.258 57.401 56.100 0.072 0.000 0.970 324 R CB -0.098 30.219 30.300 0.028 0.000 0.864 324 R HN 0.252 nan 8.270 nan 0.000 0.440 325 Q N 0.545 120.440 119.800 0.158 0.000 2.020 325 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 325 Q C 2.190 178.323 176.000 0.223 0.000 0.982 325 Q CA 1.583 57.547 55.803 0.269 0.000 0.838 325 Q CB -0.078 28.816 28.738 0.260 0.000 0.899 325 Q HN 0.396 nan 8.270 nan 0.000 0.423 326 Q N -0.273 119.618 119.800 0.151 0.000 2.112 326 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 326 Q C 2.158 178.209 176.000 0.085 0.000 0.987 326 Q CA 1.926 57.797 55.803 0.114 0.000 0.858 326 Q CB -0.116 28.670 28.738 0.081 0.000 0.905 326 Q HN 0.355 nan 8.270 nan 0.000 0.420 327 T N 0.839 115.434 114.554 0.068 0.000 2.720 327 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 327 T C 1.781 176.495 174.700 0.023 0.000 1.037 327 T CA 1.138 63.265 62.100 0.045 0.000 1.144 327 T CB -0.189 68.713 68.868 0.057 0.000 0.864 327 T HN 0.208 nan 8.240 nan 0.000 0.444 328 I N 0.927 121.496 120.570 -0.001 0.000 2.252 328 I HA -0.072 4.098 4.170 -0.000 0.000 0.245 328 I C 2.842 178.873 176.117 -0.143 0.000 1.102 328 I CA 1.223 62.451 61.300 -0.120 0.000 1.385 328 I CB -0.548 37.285 38.000 -0.278 0.000 1.064 328 I HN 0.307 nan 8.210 nan 0.000 0.414 329 G N 0.237 109.015 108.800 -0.037 0.000 2.402 329 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 329 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 329 G C 1.829 176.763 174.900 0.058 0.000 1.162 329 G CA 0.714 45.854 45.100 0.066 0.000 0.777 329 G HN 0.476 nan 8.290 nan 0.000 0.539 330 A N 0.200 123.062 122.820 0.071 0.000 2.015 330 A HA 0.219 4.539 4.320 -0.000 0.000 0.219 330 A C 2.230 179.918 177.584 0.172 0.000 1.163 330 A CA 0.858 52.956 52.037 0.101 0.000 0.646 330 A CB -0.221 18.817 19.000 0.063 0.000 0.806 330 A HN 0.358 nan 8.150 nan 0.000 0.448 331 L N -0.647 120.644 121.223 0.112 0.000 2.567 331 L HA -0.028 4.312 4.340 -0.000 0.000 0.225 331 L C 2.434 179.375 176.870 0.118 0.000 1.119 331 L CA 0.524 55.471 54.840 0.178 0.000 0.871 331 L CB -0.248 41.846 42.059 0.059 0.000 1.036 331 L HN 0.596 nan 8.230 nan 0.000 0.459 332 Q N 1.059 120.845 119.800 -0.024 0.000 2.103 332 Q HA -0.312 4.028 4.340 -0.000 0.000 0.213 332 Q C 1.176 176.988 176.000 -0.313 0.000 1.008 332 Q CA 2.615 58.285 55.803 -0.222 0.000 0.879 332 Q CB 0.009 28.556 28.738 -0.319 0.000 0.946 332 Q HN 0.479 nan 8.270 nan 0.000 0.413 333 D N -0.650 119.559 120.400 -0.319 0.000 2.183 333 D HA -0.088 4.552 4.640 -0.000 0.000 0.203 333 D C 1.457 177.492 176.300 -0.442 0.000 0.969 333 D CA 0.877 54.587 54.000 -0.483 0.000 0.842 333 D CB -0.279 40.112 40.800 -0.683 0.000 0.957 333 D HN 0.333 nan 8.370 nan 0.000 0.484 334 F N 0.613 120.501 119.950 -0.102 0.000 2.811 334 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 334 F C 2.329 178.092 175.800 -0.061 0.000 1.151 334 F CA 0.273 58.233 58.000 -0.068 0.000 1.412 334 F CB -0.221 38.747 39.000 -0.053 0.000 1.113 334 F HN -0.186 nan 8.300 nan 0.000 0.579 335 T N 0.022 114.603 114.554 0.044 0.000 2.737 335 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 335 T C 2.363 177.068 174.700 0.010 0.000 1.038 335 T CA 1.463 63.574 62.100 0.018 0.000 1.144 335 T CB -0.265 68.588 68.868 -0.025 0.000 0.866 335 T HN 0.337 nan 8.240 nan 0.000 0.434 336 A N 0.761 123.576 122.820 -0.009 0.000 1.969 336 A HA 0.167 4.487 4.320 -0.000 0.000 0.218 336 A C 2.487 180.076 177.584 0.008 0.000 1.169 336 A CA 1.748 53.782 52.037 -0.004 0.000 0.635 336 A CB -1.013 17.979 19.000 -0.015 0.000 0.810 336 A HN 0.523 nan 8.150 nan 0.000 0.445 337 G N -0.965 107.847 108.800 0.020 0.000 2.464 337 G HA2 0.064 4.024 3.960 -0.000 0.000 0.217 337 G HA3 0.064 4.024 3.960 -0.000 0.000 0.217 337 G C 1.299 176.223 174.900 0.040 0.000 1.138 337 G CA 0.794 45.915 45.100 0.036 0.000 0.793 337 G HN 0.330 nan 8.290 nan 0.000 0.539 338 L N 0.193 121.443 121.223 0.046 0.000 2.168 338 L HA 0.175 4.515 4.340 -0.000 0.000 0.203 338 L C 2.893 179.772 176.870 0.015 0.000 1.078 338 L CA 1.156 56.016 54.840 0.034 0.000 0.780 338 L CB -1.077 41.007 42.059 0.041 0.000 0.939 338 L HN 0.258 nan 8.230 nan 0.000 0.451 339 Q N -0.412 119.395 119.800 0.011 0.000 2.084 339 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 339 Q C -0.406 175.595 176.000 0.002 0.000 0.978 339 Q CA 1.717 57.521 55.803 0.002 0.000 0.844 339 Q CB -0.979 27.758 28.738 -0.002 0.000 0.898 339 Q HN 0.410 nan 8.270 nan 0.000 0.426 340 P HA -0.120 nan 4.420 nan 0.000 0.217 340 P C 1.406 178.711 177.300 0.008 0.000 1.150 340 P CA 1.042 64.147 63.100 0.008 0.000 0.832 340 P CB 0.025 31.731 31.700 0.010 0.000 0.787 341 V N -0.622 119.294 119.914 0.004 0.000 2.453 341 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 341 V C 2.403 178.492 176.094 -0.008 0.000 1.048 341 V CA 1.402 63.699 62.300 -0.005 0.000 1.049 341 V CB -1.065 30.755 31.823 -0.004 0.000 0.672 341 V HN 0.086 nan 8.190 nan 0.000 0.457 342 L N -0.266 120.955 121.223 -0.004 0.000 2.217 342 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 342 L C 2.706 179.573 176.870 -0.005 0.000 1.107 342 L CA 1.277 56.114 54.840 -0.006 0.000 0.783 342 L CB -0.352 41.702 42.059 -0.008 0.000 0.919 342 L HN 0.289 nan 8.230 nan 0.000 0.442 343 R N -0.481 120.019 120.500 0.001 0.000 2.115 343 R HA -0.161 4.179 4.340 -0.000 0.000 0.230 343 R C 2.068 178.382 176.300 0.024 0.000 1.111 343 R CA 1.019 57.122 56.100 0.006 0.000 0.976 343 R CB 0.091 30.396 30.300 0.008 0.000 0.870 343 R HN 0.332 nan 8.270 nan 0.000 0.445 344 Q N 0.046 119.868 119.800 0.037 0.000 2.369 344 Q HA -0.051 4.289 4.340 -0.000 0.000 0.206 344 Q C 2.034 178.079 176.000 0.075 0.000 0.963 344 Q CA 0.713 56.573 55.803 0.094 0.000 0.894 344 Q CB 0.103 28.874 28.738 0.055 0.000 0.965 344 Q HN 0.244 nan 8.270 nan 0.000 0.475 345 V N -0.002 119.917 119.914 0.010 0.000 2.515 345 V HA -0.100 4.020 4.120 -0.000 0.000 0.250 345 V C 1.409 177.495 176.094 -0.014 0.000 1.058 345 V CA 1.382 63.674 62.300 -0.013 0.000 1.064 345 V CB -1.049 30.763 31.823 -0.018 0.000 0.675 345 V HN 0.572 nan 8.190 nan 0.000 0.461 346 G N 0.388 109.185 108.800 -0.006 0.000 2.601 346 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.252 346 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.252 346 G C -0.109 174.769 174.900 -0.036 0.000 1.294 346 G CA 0.241 45.330 45.100 -0.018 0.000 0.912 346 G HN 0.408 nan 8.290 nan 0.000 0.574 347 D N 0.600 120.974 120.400 -0.044 0.000 2.741 347 D HA 0.335 4.975 4.640 -0.000 0.000 0.233 347 D C 1.792 178.054 176.300 -0.062 0.000 1.160 347 D CA -0.353 53.617 54.000 -0.049 0.000 1.003 347 D CB 0.202 40.974 40.800 -0.046 0.000 1.064 347 D HN 0.448 nan 8.370 nan 0.000 0.503 348 L N 1.837 123.018 121.223 -0.069 0.000 2.191 348 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 348 L C 1.887 178.710 176.870 -0.079 0.000 1.103 348 L CA 1.731 56.514 54.840 -0.094 0.000 0.769 348 L CB -0.263 41.737 42.059 -0.099 0.000 0.908 348 L HN 0.323 nan 8.230 nan 0.000 0.438 349 E N -0.569 119.599 120.200 -0.053 0.000 2.038 349 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 349 E C 2.269 178.841 176.600 -0.047 0.000 1.000 349 E CA 1.415 57.792 56.400 -0.037 0.000 0.803 349 E CB -0.050 29.636 29.700 -0.022 0.000 0.750 349 E HN 0.497 nan 8.360 nan 0.000 0.448 350 R N -0.137 120.331 120.500 -0.053 0.000 2.153 350 R HA 0.014 4.354 4.340 -0.000 0.000 0.218 350 R C 2.475 178.725 176.300 -0.084 0.000 1.072 350 R CA 0.685 56.749 56.100 -0.060 0.000 0.990 350 R CB -0.115 30.155 30.300 -0.051 0.000 0.889 350 R HN 0.297 nan 8.270 nan 0.000 0.452 351 I N 0.635 121.151 120.570 -0.090 0.000 2.226 351 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 351 I C 1.813 177.847 176.117 -0.137 0.000 1.100 351 I CA 0.928 62.165 61.300 -0.106 0.000 1.374 351 I CB -0.072 37.860 38.000 -0.113 0.000 1.057 351 I HN 0.099 nan 8.210 nan 0.000 0.413 352 L N 0.470 121.613 121.223 -0.133 0.000 2.201 352 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 352 L C 2.601 179.350 176.870 -0.202 0.000 1.105 352 L CA 1.821 56.571 54.840 -0.149 0.000 0.775 352 L CB -1.390 40.609 42.059 -0.100 0.000 0.913 352 L HN 0.189 nan 8.230 nan 0.000 0.440 353 A N -0.770 121.929 122.820 -0.202 0.000 1.898 353 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 353 A C 2.442 179.810 177.584 -0.359 0.000 1.181 353 A CA 1.201 53.031 52.037 -0.345 0.000 0.620 353 A CB -0.344 18.536 19.000 -0.201 0.000 0.819 353 A HN 0.343 nan 8.150 nan 0.000 0.442 354 R N -1.146 119.212 120.500 -0.236 0.000 2.115 354 R HA -0.048 4.292 4.340 -0.000 0.000 0.230 354 R C 2.090 178.213 176.300 -0.296 0.000 1.111 354 R CA 1.182 57.159 56.100 -0.205 0.000 0.976 354 R CB -0.546 29.684 30.300 -0.118 0.000 0.870 354 R HN 0.505 nan 8.270 nan 0.000 0.445 355 L N 1.032 122.046 121.223 -0.348 0.000 1.989 355 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 355 L C 2.330 178.912 176.870 -0.480 0.000 1.071 355 L CA 2.097 56.622 54.840 -0.525 0.000 0.749 355 L CB -0.661 41.172 42.059 -0.377 0.000 0.890 355 L HN 0.111 nan 8.230 nan 0.000 0.431 356 A N -0.861 121.739 122.820 -0.366 0.000 1.908 356 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 356 A C 2.041 179.463 177.584 -0.271 0.000 1.181 356 A CA 2.033 53.883 52.037 -0.311 0.000 0.627 356 A CB -0.841 17.902 19.000 -0.427 0.000 0.818 356 A HN 0.435 nan 8.150 nan 0.000 0.445 357 L N -1.404 119.639 121.223 -0.299 0.000 2.558 357 L HA 0.153 4.493 4.340 -0.000 0.000 0.225 357 L C 0.943 177.735 176.870 -0.130 0.000 1.128 357 L CA 0.926 55.656 54.840 -0.185 0.000 0.868 357 L CB -0.910 41.045 42.059 -0.174 0.000 1.006 357 L HN 0.481 nan 8.230 nan 0.000 0.454 358 R N -0.971 119.400 120.500 -0.215 0.000 3.531 358 R HA -0.177 4.163 4.340 -0.000 0.000 0.280 358 R C 0.742 177.122 176.300 0.134 0.000 1.130 358 R CA 0.817 56.845 56.100 -0.121 0.000 0.757 358 R CB -2.795 27.546 30.300 0.068 0.000 1.218 358 R HN 0.493 nan 8.270 nan 0.000 0.454 359 T N -3.762 110.810 114.554 0.031 0.000 3.044 359 T HA 0.435 4.785 4.350 -0.000 0.000 0.260 359 T C 0.783 175.573 174.700 0.151 0.000 1.019 359 T CA 0.242 62.403 62.100 0.101 0.000 0.921 359 T CB 0.704 69.580 68.868 0.012 0.000 1.053 359 T HN 0.443 nan 8.240 nan 0.000 0.533 360 A N 2.429 125.340 122.820 0.152 0.000 2.515 360 A HA 0.432 4.752 4.320 -0.000 0.000 0.263 360 A C 0.561 178.385 177.584 0.401 0.000 1.096 360 A CA -0.367 51.783 52.037 0.188 0.000 0.769 360 A CB -0.073 18.948 19.000 0.035 0.000 1.040 360 A HN 0.558 nan 8.150 nan 0.000 0.505 361 R N 3.022 123.659 120.500 0.228 0.000 2.543 361 R HA 0.261 4.601 4.340 -0.000 0.000 0.268 361 R C -1.748 174.689 176.300 0.229 0.000 1.067 361 R CA -1.729 54.488 56.100 0.195 0.000 1.142 361 R CB 0.093 30.433 30.300 0.067 0.000 1.110 361 R HN 0.389 nan 8.270 nan 0.000 0.549 362 P HA -0.191 nan 4.420 nan 0.000 0.216 362 P C 0.633 177.999 177.300 0.110 0.000 1.154 362 P CA 1.547 64.758 63.100 0.184 0.000 0.865 362 P CB 0.138 31.844 31.700 0.010 0.000 0.789 363 R N -0.859 119.669 120.500 0.047 0.000 2.189 363 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 363 R C 1.668 177.972 176.300 0.005 0.000 1.074 363 R CA 0.984 57.090 56.100 0.011 0.000 0.991 363 R CB -0.725 29.567 30.300 -0.013 0.000 0.883 363 R HN 0.280 nan 8.270 nan 0.000 0.457 364 D N 1.130 121.547 120.400 0.028 0.000 2.097 364 D HA -0.136 4.504 4.640 -0.000 0.000 0.195 364 D C 1.996 178.292 176.300 -0.007 0.000 0.989 364 D CA 1.067 55.070 54.000 0.006 0.000 0.827 364 D CB -0.072 40.745 40.800 0.029 0.000 0.966 364 D HN 0.181 nan 8.370 nan 0.000 0.456 365 L N 0.620 121.873 121.223 0.049 0.000 2.141 365 L HA -0.099 4.240 4.340 -0.000 0.000 0.209 365 L C 2.533 179.394 176.870 -0.015 0.000 1.094 365 L CA 0.830 55.681 54.840 0.019 0.000 0.763 365 L CB -0.420 41.676 42.059 0.062 0.000 0.908 365 L HN -0.029 nan 8.230 nan 0.000 0.437 366 A N 0.295 123.117 122.820 0.004 0.000 1.933 366 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 366 A C 2.377 179.948 177.584 -0.021 0.000 1.175 366 A CA 1.335 53.369 52.037 -0.006 0.000 0.628 366 A CB -0.368 18.626 19.000 -0.010 0.000 0.814 366 A HN 0.330 nan 8.150 nan 0.000 0.444 367 R N -1.467 119.005 120.500 -0.047 0.000 2.119 367 R HA 0.088 4.428 4.340 -0.000 0.000 0.222 367 R C 2.263 178.491 176.300 -0.119 0.000 1.088 367 R CA 1.108 57.179 56.100 -0.048 0.000 0.984 367 R CB -0.319 29.945 30.300 -0.060 0.000 0.884 367 R HN 0.631 nan 8.270 nan 0.000 0.447 368 M N 0.858 120.329 119.600 -0.216 0.000 2.117 368 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 368 M C 2.468 178.350 176.300 -0.695 0.000 1.065 368 M CA 1.659 56.662 55.300 -0.494 0.000 1.114 368 M CB -0.092 32.230 32.600 -0.462 0.000 1.361 368 M HN 0.005 nan 8.290 nan 0.000 0.408 369 R N -1.196 119.126 120.500 -0.297 0.000 2.073 369 R HA -0.255 4.085 4.340 -0.000 0.000 0.234 369 R C 2.095 178.395 176.300 0.001 0.000 1.134 369 R CA 2.269 58.329 56.100 -0.067 0.000 0.952 369 R CB -0.764 29.567 30.300 0.051 0.000 0.850 369 R HN 0.464 nan 8.270 nan 0.000 0.433 370 H N 0.035 119.051 119.070 -0.091 0.000 2.426 370 H HA -0.056 4.500 4.556 -0.000 0.000 0.298 370 H C 1.698 176.995 175.328 -0.051 0.000 1.107 370 H CA 2.120 58.138 56.048 -0.051 0.000 1.298 370 H CB -0.064 29.664 29.762 -0.055 0.000 1.377 370 H HN 0.451 nan 8.280 nan 0.000 0.519 371 A N -0.596 122.151 122.820 -0.122 0.000 1.970 371 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 371 A C 1.847 179.427 177.584 -0.008 0.000 1.170 371 A CA 0.767 52.727 52.037 -0.130 0.000 0.645 371 A CB -0.628 18.263 19.000 -0.182 0.000 0.816 371 A HN 0.373 nan 8.150 nan 0.000 0.447 372 F N 0.545 120.481 119.950 -0.023 0.000 2.216 372 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 372 F C 2.411 178.207 175.800 -0.006 0.000 1.085 372 F CA 1.273 59.280 58.000 0.012 0.000 1.326 372 F CB -0.896 38.117 39.000 0.023 0.000 1.027 372 F HN 0.339 nan 8.300 nan 0.000 0.497 373 Q N -0.577 119.300 119.800 0.127 0.000 2.472 373 Q HA -0.107 4.233 4.340 -0.000 0.000 0.208 373 Q C 1.694 177.673 176.000 -0.034 0.000 0.958 373 Q CA 0.452 56.270 55.803 0.024 0.000 0.932 373 Q CB 0.038 28.753 28.738 -0.039 0.000 1.007 373 Q HN 0.341 nan 8.270 nan 0.000 0.508 374 Q N -0.414 119.365 119.800 -0.035 0.000 2.391 374 Q HA 0.083 4.423 4.340 -0.000 0.000 0.211 374 Q C 1.895 177.902 176.000 0.011 0.000 0.908 374 Q CA 0.386 56.164 55.803 -0.041 0.000 0.920 374 Q CB 0.283 28.983 28.738 -0.063 0.000 1.056 374 Q HN 0.397 nan 8.270 nan 0.000 0.523 375 L N 1.133 122.391 121.223 0.058 0.000 1.994 375 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 375 L C -0.516 176.371 176.870 0.028 0.000 1.071 375 L CA 1.502 56.383 54.840 0.069 0.000 0.745 375 L CB -1.924 40.216 42.059 0.135 0.000 0.892 375 L HN 0.120 nan 8.230 nan 0.000 0.431 376 P HA -0.229 nan 4.420 nan 0.000 0.215 376 P C 1.350 178.648 177.300 -0.004 0.000 1.157 376 P CA 1.445 64.544 63.100 -0.001 0.000 0.874 376 P CB 0.069 31.767 31.700 -0.002 0.000 0.790 377 E N -0.158 120.041 120.200 -0.001 0.000 2.085 377 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 377 E C 1.955 178.554 176.600 -0.002 0.000 0.994 377 E CA 1.290 57.689 56.400 -0.001 0.000 0.801 377 E CB -1.245 28.452 29.700 -0.004 0.000 0.743 377 E HN 0.127 nan 8.360 nan 0.000 0.453 378 L N -0.068 121.154 121.223 -0.002 0.000 2.093 378 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 378 L C 2.684 179.543 176.870 -0.019 0.000 1.085 378 L CA 1.352 56.189 54.840 -0.006 0.000 0.755 378 L CB -0.323 41.738 42.059 0.003 0.000 0.904 378 L HN 0.110 nan 8.230 nan 0.000 0.435 379 R N -0.260 120.229 120.500 -0.018 0.000 2.115 379 R HA -0.106 4.234 4.340 -0.000 0.000 0.230 379 R C 2.328 178.605 176.300 -0.037 0.000 1.111 379 R CA 1.210 57.292 56.100 -0.031 0.000 0.976 379 R CB -0.359 29.923 30.300 -0.029 0.000 0.870 379 R HN 0.346 nan 8.270 nan 0.000 0.445 380 A N 1.080 123.886 122.820 -0.024 0.000 1.898 380 A HA -0.125 4.195 4.320 -0.000 0.000 0.214 380 A C 2.000 179.574 177.584 -0.017 0.000 1.183 380 A CA 0.769 52.796 52.037 -0.017 0.000 0.622 380 A CB -0.182 18.816 19.000 -0.004 0.000 0.824 380 A HN 0.254 nan 8.150 nan 0.000 0.444 381 Q N -0.432 119.362 119.800 -0.011 0.000 2.167 381 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 381 Q C 1.752 177.679 176.000 -0.121 0.000 0.970 381 Q CA 1.120 56.925 55.803 0.002 0.000 0.855 381 Q CB -0.224 28.534 28.738 0.033 0.000 0.911 381 Q HN 0.651 nan 8.270 nan 0.000 0.438 382 L N 0.194 121.329 121.223 -0.147 0.000 2.446 382 L HA -0.025 4.315 4.340 -0.000 0.000 0.219 382 L C 2.265 179.001 176.870 -0.222 0.000 1.116 382 L CA 0.243 54.938 54.840 -0.242 0.000 0.844 382 L CB -0.207 41.758 42.059 -0.156 0.000 0.970 382 L HN 0.254 nan 8.230 nan 0.000 0.457 383 E N 0.490 120.608 120.200 -0.137 0.000 2.130 383 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 383 E C 1.717 178.256 176.600 -0.101 0.000 0.998 383 E CA 1.899 58.242 56.400 -0.095 0.000 0.806 383 E CB 0.152 29.820 29.700 -0.053 0.000 0.738 383 E HN 0.387 nan 8.360 nan 0.000 0.459 384 T N 0.514 114.995 114.554 -0.122 0.000 2.904 384 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 384 T C 0.650 175.273 174.700 -0.128 0.000 1.059 384 T CA 0.488 62.547 62.100 -0.069 0.000 1.137 384 T CB 0.090 68.993 68.868 0.057 0.000 0.879 384 T HN -0.038 nan 8.240 nan 0.000 0.467 385 V N 3.744 123.449 119.914 -0.347 0.000 2.452 385 V HA 0.021 4.141 4.120 -0.000 0.000 0.286 385 V C 0.404 176.421 176.094 -0.127 0.000 0.995 385 V CA -0.524 61.569 62.300 -0.345 0.000 1.116 385 V CB -0.089 31.419 31.823 -0.525 0.000 0.954 385 V HN 0.365 nan 8.190 nan 0.000 0.473 386 D N 4.590 124.969 120.400 -0.035 0.000 2.455 386 D HA 0.275 4.915 4.640 -0.000 0.000 0.234 386 D C -0.064 176.234 176.300 -0.003 0.000 1.224 386 D CA 0.431 54.427 54.000 -0.006 0.000 0.999 386 D CB 0.249 41.064 40.800 0.025 0.000 1.072 386 D HN 0.563 nan 8.370 nan 0.000 0.514 387 S N 2.200 117.888 115.700 -0.020 0.000 2.584 387 S HA 0.483 4.953 4.470 -0.000 0.000 0.282 387 S C 0.767 175.358 174.600 -0.015 0.000 1.138 387 S CA -0.128 58.066 58.200 -0.009 0.000 0.987 387 S CB 0.452 63.645 63.200 -0.013 0.000 1.137 387 S HN 0.365 nan 8.310 nan 0.000 0.457 388 A N 6.525 129.343 122.820 -0.003 0.000 1.917 388 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 388 A C -0.342 177.240 177.584 -0.004 0.000 1.182 388 A CA 1.952 53.986 52.037 -0.005 0.000 0.633 388 A CB -1.404 17.597 19.000 0.001 0.000 0.819 388 A HN 0.693 nan 8.150 nan 0.000 0.448 389 P HA -0.021 nan 4.420 nan 0.000 0.222 389 P C 1.480 178.783 177.300 0.005 0.000 1.153 389 P CA 0.997 64.104 63.100 0.011 0.000 0.798 389 P CB -0.162 31.552 31.700 0.024 0.000 0.796 390 V N 0.411 120.318 119.914 -0.012 0.000 2.548 390 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 390 V C 2.658 178.725 176.094 -0.044 0.000 1.055 390 V CA 1.565 63.844 62.300 -0.034 0.000 1.065 390 V CB -1.030 30.748 31.823 -0.074 0.000 0.681 390 V HN 0.091 nan 8.190 nan 0.000 0.462 391 Q N -0.189 119.586 119.800 -0.041 0.000 2.245 391 Q HA 0.042 4.382 4.340 -0.000 0.000 0.201 391 Q C 2.374 178.358 176.000 -0.026 0.000 0.955 391 Q CA 1.529 57.307 55.803 -0.042 0.000 0.870 391 Q CB -0.458 28.257 28.738 -0.039 0.000 0.945 391 Q HN 0.636 nan 8.270 nan 0.000 0.461 392 A N 0.754 123.567 122.820 -0.013 0.000 1.897 392 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 392 A C 2.204 179.791 177.584 0.005 0.000 1.181 392 A CA 0.703 52.739 52.037 -0.003 0.000 0.620 392 A CB -0.652 18.352 19.000 0.006 0.000 0.821 392 A HN 0.297 nan 8.150 nan 0.000 0.443 393 L N -0.801 120.428 121.223 0.010 0.000 2.127 393 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 393 L C 2.778 179.652 176.870 0.007 0.000 1.089 393 L CA 1.759 56.610 54.840 0.018 0.000 0.757 393 L CB -0.417 41.655 42.059 0.021 0.000 0.899 393 L HN 0.497 nan 8.230 nan 0.000 0.434 394 R N 0.370 120.863 120.500 -0.013 0.000 2.062 394 R HA -0.210 4.130 4.340 -0.000 0.000 0.229 394 R C 2.219 178.506 176.300 -0.022 0.000 1.128 394 R CA 1.731 57.817 56.100 -0.024 0.000 0.960 394 R CB -0.049 30.223 30.300 -0.046 0.000 0.855 394 R HN 0.304 nan 8.270 nan 0.000 0.432 395 E N 0.572 120.758 120.200 -0.024 0.000 2.047 395 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 395 E C 1.918 178.505 176.600 -0.022 0.000 0.987 395 E CA 1.471 57.852 56.400 -0.033 0.000 0.799 395 E CB 0.049 29.731 29.700 -0.030 0.000 0.752 395 E HN 0.199 nan 8.360 nan 0.000 0.449 396 K N 0.124 120.527 120.400 0.005 0.000 2.147 396 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 396 K C 2.213 178.853 176.600 0.067 0.000 1.049 396 K CA 1.399 57.707 56.287 0.034 0.000 0.936 396 K CB -0.157 32.369 32.500 0.044 0.000 0.722 396 K HN 0.236 nan 8.250 nan 0.000 0.446 397 M N 0.193 119.828 119.600 0.059 0.000 2.144 397 M HA -0.131 4.348 4.480 -0.000 0.000 0.260 397 M C 0.722 177.107 176.300 0.141 0.000 1.067 397 M CA 1.889 57.248 55.300 0.098 0.000 1.095 397 M CB -0.432 32.203 32.600 0.058 0.000 1.365 397 M HN 0.364 nan 8.290 nan 0.000 0.406 398 G N -0.087 108.715 108.800 0.004 0.000 2.804 398 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.230 398 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.230 398 G C -0.082 174.718 174.900 -0.167 0.000 1.386 398 G CA 0.226 45.204 45.100 -0.203 0.000 0.875 398 G HN 0.588 nan 8.290 nan 0.000 0.557 399 E N -2.044 117.899 120.200 -0.428 0.000 2.940 399 E HA 0.367 4.716 4.350 -0.000 0.000 0.203 399 E C 0.461 176.959 176.600 -0.169 0.000 0.995 399 E CA 0.114 56.395 56.400 -0.199 0.000 1.396 399 E CB 0.388 29.973 29.700 -0.193 0.000 1.310 399 E HN 0.957 nan 8.360 nan 0.000 0.613 400 F N 0.065 119.846 119.950 -0.281 0.000 2.983 400 F HA -0.273 4.254 4.527 -0.000 0.000 0.288 400 F C 0.967 176.505 175.800 -0.437 0.000 0.980 400 F CA 0.159 57.873 58.000 -0.476 0.000 0.965 400 F CB -1.837 36.637 39.000 -0.876 0.000 0.967 400 F HN 0.207 nan 8.300 nan 0.000 0.800 401 A N -0.137 122.574 122.820 -0.181 0.000 1.883 401 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 401 A C 2.211 179.735 177.584 -0.100 0.000 1.186 401 A CA 2.029 53.996 52.037 -0.117 0.000 0.624 401 A CB -0.237 18.704 19.000 -0.097 0.000 0.822 401 A HN 0.549 nan 8.150 nan 0.000 0.444 402 E N 0.265 120.397 120.200 -0.113 0.000 2.085 402 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 402 E C 2.079 178.646 176.600 -0.055 0.000 0.994 402 E CA 1.284 57.642 56.400 -0.070 0.000 0.801 402 E CB -0.538 29.117 29.700 -0.075 0.000 0.743 402 E HN 0.718 nan 8.360 nan 0.000 0.453 403 L N 0.362 121.509 121.223 -0.127 0.000 2.131 403 L HA -0.007 4.333 4.340 -0.000 0.000 0.206 403 L C 2.788 179.660 176.870 0.003 0.000 1.087 403 L CA 0.550 55.338 54.840 -0.088 0.000 0.767 403 L CB -0.520 41.401 42.059 -0.231 0.000 0.917 403 L HN 0.038 nan 8.230 nan 0.000 0.441 404 R N 0.932 121.387 120.500 -0.075 0.000 2.083 404 R HA -0.243 4.097 4.340 -0.000 0.000 0.237 404 R C 1.810 178.166 176.300 0.093 0.000 1.137 404 R CA 2.483 58.653 56.100 0.116 0.000 0.951 404 R CB -0.301 30.035 30.300 0.060 0.000 0.851 404 R HN 0.370 nan 8.270 nan 0.000 0.434 405 D N -0.108 120.317 120.400 0.043 0.000 2.149 405 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 405 D C 2.035 178.370 176.300 0.058 0.000 0.972 405 D CA 0.618 54.646 54.000 0.046 0.000 0.835 405 D CB -0.026 40.793 40.800 0.032 0.000 0.966 405 D HN 0.145 nan 8.370 nan 0.000 0.476 406 L N 0.255 121.516 121.223 0.063 0.000 1.989 406 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 406 L C 1.971 178.842 176.870 0.001 0.000 1.071 406 L CA 1.719 56.602 54.840 0.072 0.000 0.749 406 L CB -0.519 41.592 42.059 0.087 0.000 0.890 406 L HN 0.190 nan 8.230 nan 0.000 0.431 407 L N -1.144 120.097 121.223 0.030 0.000 2.395 407 L HA -0.069 4.271 4.340 -0.000 0.000 0.218 407 L C 2.368 179.231 176.870 -0.011 0.000 1.130 407 L CA 0.567 55.404 54.840 -0.004 0.000 0.826 407 L CB -0.445 41.658 42.059 0.073 0.000 0.941 407 L HN 0.350 nan 8.230 nan 0.000 0.451 408 E N 0.378 120.593 120.200 0.024 0.000 2.047 408 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 408 E C 2.311 178.912 176.600 0.001 0.000 0.987 408 E CA 1.029 57.445 56.400 0.026 0.000 0.799 408 E CB 0.155 29.884 29.700 0.047 0.000 0.752 408 E HN 0.359 nan 8.360 nan 0.000 0.449 409 R N -0.216 120.283 120.500 -0.002 0.000 2.119 409 R HA 0.051 4.391 4.340 -0.000 0.000 0.222 409 R C 2.107 178.304 176.300 -0.171 0.000 1.088 409 R CA 0.999 57.108 56.100 0.015 0.000 0.984 409 R CB 0.010 30.398 30.300 0.147 0.000 0.884 409 R HN 0.065 nan 8.270 nan 0.000 0.447 410 A N 0.637 123.198 122.820 -0.432 0.000 2.021 410 A HA 0.167 4.487 4.320 -0.000 0.000 0.216 410 A C 0.948 178.285 177.584 -0.413 0.000 1.163 410 A CA 0.550 52.014 52.037 -0.956 0.000 0.676 410 A CB 0.254 18.683 19.000 -0.952 0.000 0.818 410 A HN 0.055 nan 8.150 nan 0.000 0.453 411 I N 0.557 121.015 120.570 -0.186 0.000 2.689 411 I HA 0.344 4.514 4.170 -0.000 0.000 0.299 411 I C -0.052 176.049 176.117 -0.028 0.000 1.059 411 I CA -1.043 60.218 61.300 -0.066 0.000 1.055 411 I CB 1.960 39.947 38.000 -0.022 0.000 1.243 411 I HN 0.370 nan 8.210 nan 0.000 0.425 412 I N 0.085 120.652 120.570 -0.005 0.000 3.269 412 I HA 0.213 4.382 4.170 -0.000 0.000 0.287 412 I C 0.814 176.934 176.117 0.005 0.000 1.152 412 I CA -0.088 61.214 61.300 0.004 0.000 1.263 412 I CB 0.461 38.465 38.000 0.007 0.000 1.439 412 I HN 0.466 nan 8.210 nan 0.000 0.637 413 D N 1.091 121.495 120.400 0.007 0.000 2.104 413 D HA -0.105 4.534 4.640 -0.000 0.000 0.194 413 D C 0.871 177.167 176.300 -0.006 0.000 0.994 413 D CA 2.296 56.300 54.000 0.007 0.000 0.830 413 D CB -0.204 40.600 40.800 0.008 0.000 0.959 413 D HN 0.846 nan 8.370 nan 0.000 0.452 414 T N -0.732 113.815 114.554 -0.010 0.000 3.077 414 T HA 0.440 4.789 4.350 -0.000 0.000 0.359 414 T C -2.806 171.884 174.700 -0.016 0.000 1.108 414 T CA -1.581 60.507 62.100 -0.020 0.000 1.170 414 T CB 2.316 71.168 68.868 -0.027 0.000 1.045 414 T HN -0.181 nan 8.240 nan 0.000 0.505 415 P HA 0.440 nan 4.420 nan 0.000 0.276 415 P C -2.471 174.816 177.300 -0.022 0.000 1.252 415 P CA -1.449 61.643 63.100 -0.014 0.000 0.802 415 P CB 0.146 31.844 31.700 -0.003 0.000 1.035 416 P HA 0.031 nan 4.420 nan 0.000 0.274 416 P C 1.041 178.318 177.300 -0.040 0.000 1.260 416 P CA -0.232 62.848 63.100 -0.034 0.000 0.793 416 P CB 0.527 32.204 31.700 -0.037 0.000 1.048 417 V N -0.662 119.230 119.914 -0.036 0.000 2.626 417 V HA -0.104 4.016 4.120 -0.000 0.000 0.252 417 V C 1.232 177.297 176.094 -0.049 0.000 1.067 417 V CA 1.580 63.859 62.300 -0.035 0.000 1.081 417 V CB -0.763 31.043 31.823 -0.028 0.000 0.686 417 V HN 0.320 nan 8.190 nan 0.000 0.468 418 L N -0.991 120.190 121.223 -0.071 0.000 2.381 418 L HA 0.379 4.719 4.340 -0.000 0.000 0.268 418 L C 1.090 177.855 176.870 -0.174 0.000 0.997 418 L CA -0.586 54.191 54.840 -0.105 0.000 0.818 418 L CB 1.960 43.976 42.059 -0.071 0.000 1.310 418 L HN -0.021 nan 8.230 nan 0.000 0.416 419 V N -0.655 119.081 119.914 -0.296 0.000 2.407 419 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 419 V C 2.347 178.314 176.094 -0.211 0.000 1.055 419 V CA 1.544 63.615 62.300 -0.382 0.000 1.049 419 V CB -0.987 30.464 31.823 -0.620 0.000 0.662 419 V HN 0.967 nan 8.190 nan 0.000 0.455 420 R N 1.306 121.714 120.500 -0.152 0.000 2.265 420 R HA -0.337 4.003 4.340 -0.000 0.000 0.256 420 R C 1.680 177.935 176.300 -0.076 0.000 1.120 420 R CA 2.988 59.032 56.100 -0.092 0.000 0.956 420 R CB -0.511 29.754 30.300 -0.058 0.000 0.925 420 R HN 0.740 nan 8.270 nan 0.000 0.448 421 D N -1.673 118.684 120.400 -0.072 0.000 2.369 421 D HA 0.241 4.881 4.640 -0.000 0.000 0.211 421 D C 0.695 176.962 176.300 -0.056 0.000 1.077 421 D CA 0.713 54.681 54.000 -0.053 0.000 0.842 421 D CB 0.993 41.770 40.800 -0.038 0.000 0.947 421 D HN 0.590 nan 8.370 nan 0.000 0.509 422 G N 0.231 108.987 108.800 -0.073 0.000 2.681 422 G HA2 0.154 4.114 3.960 -0.000 0.000 0.220 422 G HA3 0.154 4.114 3.960 -0.000 0.000 0.220 422 G C 0.772 175.646 174.900 -0.044 0.000 1.353 422 G CA -0.289 44.775 45.100 -0.060 0.000 0.872 422 G HN 0.948 nan 8.290 nan 0.000 0.557 423 G N -2.878 105.909 108.800 -0.023 0.000 2.198 423 G HA2 0.105 4.065 3.960 -0.000 0.000 0.257 423 G HA3 0.105 4.065 3.960 -0.000 0.000 0.257 423 G C 1.505 176.396 174.900 -0.015 0.000 1.042 423 G CA 1.729 46.822 45.100 -0.012 0.000 0.791 423 G HN 2.467 nan 8.290 nan 0.000 0.502 424 V N -1.645 118.258 119.914 -0.018 0.000 3.219 424 V HA 0.491 4.611 4.120 -0.000 0.000 0.240 424 V C 1.232 177.336 176.094 0.017 0.000 1.222 424 V CA 0.372 62.665 62.300 -0.012 0.000 1.181 424 V CB 0.103 31.893 31.823 -0.055 0.000 0.941 424 V HN 0.246 nan 8.190 nan 0.000 0.471 425 I N 2.764 123.353 120.570 0.033 0.000 2.634 425 I HA 0.472 4.642 4.170 -0.000 0.000 0.284 425 I C 0.882 177.027 176.117 0.046 0.000 1.124 425 I CA 0.573 61.900 61.300 0.045 0.000 1.417 425 I CB 0.681 38.746 38.000 0.108 0.000 1.396 425 I HN 0.422 nan 8.210 nan 0.000 0.571 426 A N 5.314 128.150 122.820 0.027 0.000 2.340 426 A HA 0.463 4.783 4.320 -0.000 0.000 0.268 426 A C 0.432 178.077 177.584 0.102 0.000 1.100 426 A CA -0.491 51.574 52.037 0.047 0.000 0.803 426 A CB 0.263 19.275 19.000 0.019 0.000 1.043 426 A HN 0.810 nan 8.150 nan 0.000 0.488 427 S N 0.955 116.704 115.700 0.082 0.000 2.531 427 S HA 0.498 4.967 4.470 -0.000 0.000 0.279 427 S C 1.014 175.671 174.600 0.095 0.000 1.305 427 S CA 0.184 58.435 58.200 0.085 0.000 1.058 427 S CB 0.796 64.031 63.200 0.058 0.000 0.899 427 S HN 2.500 nan 8.310 nan 0.000 0.493 428 G N 1.610 110.470 108.800 0.100 0.000 2.179 428 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 428 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 428 G C 0.232 175.210 174.900 0.130 0.000 0.990 428 G CA 0.301 45.454 45.100 0.088 0.000 0.646 428 G HN 0.895 nan 8.290 nan 0.000 0.517 429 Y N 1.332 121.649 120.300 0.028 0.000 2.347 429 Y HA 0.378 4.928 4.550 -0.000 0.000 0.294 429 Y C 0.949 176.867 175.900 0.031 0.000 1.117 429 Y CA 1.179 59.297 58.100 0.031 0.000 1.184 429 Y CB 0.483 38.966 38.460 0.038 0.000 1.047 429 Y HN 0.268 nan 8.280 nan 0.000 0.546 430 N N 0.674 119.358 118.700 -0.027 0.000 2.352 430 N HA 0.049 4.789 4.740 -0.000 0.000 0.291 430 N C 0.306 175.804 175.510 -0.020 0.000 1.040 430 N CA -0.011 52.982 53.050 -0.094 0.000 0.864 430 N CB 1.635 40.099 38.487 -0.038 0.000 1.440 430 N HN 0.405 nan 8.380 nan 0.000 0.483 431 E N 2.614 122.787 120.200 -0.045 0.000 2.051 431 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 431 E C 0.995 177.569 176.600 -0.044 0.000 0.991 431 E CA 1.302 57.678 56.400 -0.040 0.000 0.799 431 E CB 0.190 29.858 29.700 -0.054 0.000 0.748 431 E HN 0.661 nan 8.360 nan 0.000 0.449 432 E N 0.094 120.275 120.200 -0.031 0.000 2.049 432 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 432 E C 2.246 178.875 176.600 0.048 0.000 1.007 432 E CA 1.369 57.753 56.400 -0.027 0.000 0.809 432 E CB -0.160 29.587 29.700 0.079 0.000 0.749 432 E HN 0.235 nan 8.360 nan 0.000 0.450 433 L N 1.431 122.735 121.223 0.136 0.000 2.083 433 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 433 L C 1.423 178.380 176.870 0.145 0.000 1.083 433 L CA 1.953 56.916 54.840 0.205 0.000 0.752 433 L CB -0.305 41.852 42.059 0.163 0.000 0.899 433 L HN -0.019 nan 8.230 nan 0.000 0.433 434 D N -0.369 120.073 120.400 0.070 0.000 2.178 434 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 434 D C 2.096 178.401 176.300 0.008 0.000 0.974 434 D CA 1.289 55.314 54.000 0.043 0.000 0.841 434 D CB 0.010 40.822 40.800 0.021 0.000 0.953 434 D HN 0.521 nan 8.370 nan 0.000 0.478 435 E N -0.718 119.442 120.200 -0.068 0.000 2.072 435 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 435 E C 1.957 178.467 176.600 -0.151 0.000 0.985 435 E CA 0.606 56.899 56.400 -0.178 0.000 0.801 435 E CB -0.116 29.374 29.700 -0.350 0.000 0.750 435 E HN 0.439 nan 8.360 nan 0.000 0.452 436 W N 0.907 122.211 121.300 0.006 0.000 2.381 436 W HA -0.067 4.593 4.660 -0.000 0.000 0.301 436 W C 2.457 178.981 176.519 0.008 0.000 1.205 436 W CA 0.263 57.611 57.345 0.005 0.000 1.285 436 W CB -0.006 29.457 29.460 0.005 0.000 1.133 436 W HN -0.053 nan 8.180 nan 0.000 0.521 437 R N 0.031 120.668 120.500 0.227 0.000 2.152 437 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 437 R C 2.236 178.592 176.300 0.093 0.000 1.117 437 R CA 1.315 57.495 56.100 0.134 0.000 0.981 437 R CB -0.553 29.806 30.300 0.098 0.000 0.870 437 R HN 0.171 nan 8.270 nan 0.000 0.451 438 A N 0.829 123.690 122.820 0.069 0.000 1.898 438 A HA -0.045 4.274 4.320 -0.000 0.000 0.214 438 A C 2.085 179.700 177.584 0.052 0.000 1.183 438 A CA 0.737 52.797 52.037 0.039 0.000 0.622 438 A CB -0.321 18.681 19.000 0.003 0.000 0.824 438 A HN 0.155 nan 8.150 nan 0.000 0.444 439 L N -0.670 120.593 121.223 0.067 0.000 2.131 439 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 439 L C 3.057 179.999 176.870 0.119 0.000 1.092 439 L CA 0.965 55.860 54.840 0.092 0.000 0.759 439 L CB -0.516 41.618 42.059 0.125 0.000 0.903 439 L HN 0.461 nan 8.230 nan 0.000 0.435 440 A N -0.158 122.742 122.820 0.133 0.000 1.855 440 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 440 A C 1.948 179.581 177.584 0.081 0.000 1.191 440 A CA 1.742 53.843 52.037 0.107 0.000 0.613 440 A CB -0.513 18.545 19.000 0.097 0.000 0.829 440 A HN 0.315 nan 8.150 nan 0.000 0.442 441 D N -0.382 120.059 120.400 0.068 0.000 2.221 441 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 441 D C 1.921 178.253 176.300 0.053 0.000 0.982 441 D CA 1.416 55.447 54.000 0.050 0.000 0.857 441 D CB -0.398 40.426 40.800 0.041 0.000 0.934 441 D HN 0.481 nan 8.370 nan 0.000 0.475 442 G N 0.369 109.210 108.800 0.068 0.000 2.494 442 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 442 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 442 G C 1.673 176.646 174.900 0.122 0.000 1.140 442 G CA 0.717 45.865 45.100 0.080 0.000 0.801 442 G HN 0.341 nan 8.290 nan 0.000 0.536 443 A N 0.229 123.133 122.820 0.139 0.000 1.929 443 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 443 A C 2.430 180.071 177.584 0.095 0.000 1.176 443 A CA 2.217 54.380 52.037 0.210 0.000 0.628 443 A CB -0.748 18.372 19.000 0.200 0.000 0.816 443 A HN 0.236 nan 8.150 nan 0.000 0.444 444 T N -0.349 114.234 114.554 0.048 0.000 2.951 444 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 444 T C 1.546 176.233 174.700 -0.022 0.000 1.073 444 T CA 1.348 63.445 62.100 -0.005 0.000 1.134 444 T CB -0.289 68.594 68.868 0.025 0.000 0.884 444 T HN 0.408 nan 8.240 nan 0.000 0.479 445 D N -0.194 120.209 120.400 0.005 0.000 2.123 445 D HA -0.038 4.602 4.640 -0.000 0.000 0.200 445 D C 1.663 177.931 176.300 -0.054 0.000 0.976 445 D CA 0.756 54.747 54.000 -0.015 0.000 0.831 445 D CB -0.218 40.587 40.800 0.009 0.000 0.974 445 D HN 0.411 nan 8.370 nan 0.000 0.469 446 Y N 1.327 121.523 120.300 -0.172 0.000 2.207 446 Y HA -0.168 4.382 4.550 -0.000 0.000 0.287 446 Y C 2.166 177.856 175.900 -0.350 0.000 1.156 446 Y CA 1.301 59.218 58.100 -0.304 0.000 1.182 446 Y CB -0.248 37.890 38.460 -0.537 0.000 0.979 446 Y HN -0.066 nan 8.280 nan 0.000 0.521 447 L N -0.401 120.714 121.223 -0.180 0.000 2.156 447 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 447 L C 2.237 178.984 176.870 -0.206 0.000 1.095 447 L CA 1.309 56.011 54.840 -0.230 0.000 0.770 447 L CB -0.346 41.528 42.059 -0.309 0.000 0.914 447 L HN 0.179 nan 8.230 nan 0.000 0.439 448 E N -0.317 119.788 120.200 -0.159 0.000 2.150 448 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 448 E C 2.175 178.681 176.600 -0.157 0.000 0.985 448 E CA 0.803 57.132 56.400 -0.119 0.000 0.814 448 E CB 0.133 29.787 29.700 -0.076 0.000 0.752 448 E HN 0.205 nan 8.360 nan 0.000 0.466 449 R N 0.135 120.492 120.500 -0.237 0.000 2.200 449 R HA 0.071 4.411 4.340 -0.000 0.000 0.208 449 R C 2.137 178.233 176.300 -0.341 0.000 1.033 449 R CA 0.184 56.120 56.100 -0.273 0.000 1.000 449 R CB -0.027 30.088 30.300 -0.309 0.000 0.906 449 R HN 0.157 nan 8.270 nan 0.000 0.462 450 L N 0.584 121.548 121.223 -0.432 0.000 2.056 450 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 450 L C 2.176 178.942 176.870 -0.172 0.000 1.078 450 L CA 1.708 56.342 54.840 -0.344 0.000 0.749 450 L CB -0.229 41.641 42.059 -0.314 0.000 0.901 450 L HN 0.266 nan 8.230 nan 0.000 0.433 451 E N -0.645 119.470 120.200 -0.142 0.000 2.077 451 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 451 E C 2.012 178.577 176.600 -0.059 0.000 0.989 451 E CA 1.765 58.121 56.400 -0.074 0.000 0.800 451 E CB 0.022 29.688 29.700 -0.057 0.000 0.746 451 E HN 0.426 nan 8.360 nan 0.000 0.452 452 V N 0.880 120.745 119.914 -0.083 0.000 2.719 452 V HA -0.148 3.972 4.120 -0.000 0.000 0.252 452 V C 2.511 178.565 176.094 -0.065 0.000 1.065 452 V CA 1.782 64.043 62.300 -0.066 0.000 1.086 452 V CB -0.466 31.313 31.823 -0.073 0.000 0.700 452 V HN 0.263 nan 8.190 nan 0.000 0.467 453 R N 0.211 120.656 120.500 -0.092 0.000 2.057 453 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 453 R C 2.251 178.527 176.300 -0.040 0.000 1.136 453 R CA 1.454 57.507 56.100 -0.078 0.000 0.952 453 R CB -0.188 30.043 30.300 -0.116 0.000 0.848 453 R HN 0.374 nan 8.270 nan 0.000 0.430 454 E N 0.574 120.760 120.200 -0.023 0.000 2.153 454 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 454 E C 1.922 178.534 176.600 0.020 0.000 0.988 454 E CA 0.835 57.253 56.400 0.031 0.000 0.811 454 E CB -0.215 29.540 29.700 0.091 0.000 0.746 454 E HN 0.362 nan 8.360 nan 0.000 0.466 455 R N 1.212 121.714 120.500 0.004 0.000 2.064 455 R HA -0.133 4.207 4.340 -0.000 0.000 0.228 455 R C 2.271 178.565 176.300 -0.010 0.000 1.144 455 R CA 1.781 57.882 56.100 0.003 0.000 0.932 455 R CB -0.188 30.112 30.300 -0.000 0.000 0.833 455 R HN 0.223 nan 8.270 nan 0.000 0.429 456 E N 0.167 120.356 120.200 -0.018 0.000 2.338 456 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 456 E C 2.015 178.601 176.600 -0.025 0.000 1.007 456 E CA 0.720 57.107 56.400 -0.021 0.000 0.849 456 E CB -0.244 29.442 29.700 -0.022 0.000 0.774 456 E HN 0.283 nan 8.360 nan 0.000 0.506 457 R N 1.203 121.687 120.500 -0.027 0.000 2.090 457 R HA -0.076 4.264 4.340 -0.000 0.000 0.228 457 R C 2.108 178.381 176.300 -0.045 0.000 1.110 457 R CA 1.896 57.977 56.100 -0.032 0.000 0.973 457 R CB -0.191 30.093 30.300 -0.026 0.000 0.869 457 R HN 0.343 nan 8.270 nan 0.000 0.440 458 T N -3.678 110.846 114.554 -0.050 0.000 3.065 458 T HA 0.180 4.530 4.350 -0.000 0.000 0.252 458 T C 1.212 175.877 174.700 -0.059 0.000 1.099 458 T CA 0.442 62.496 62.100 -0.077 0.000 1.063 458 T CB 0.507 69.310 68.868 -0.107 0.000 0.948 458 T HN 0.382 nan 8.240 nan 0.000 0.506 459 G N 1.573 110.351 108.800 -0.037 0.000 2.221 459 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.265 459 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.265 459 G C -0.149 174.741 174.900 -0.017 0.000 1.041 459 G CA 0.210 45.295 45.100 -0.026 0.000 0.807 459 G HN 0.641 nan 8.290 nan 0.000 0.502 460 L N 0.998 122.214 121.223 -0.012 0.000 2.324 460 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 460 L C 1.094 177.975 176.870 0.017 0.000 1.012 460 L CA -0.554 54.288 54.840 0.004 0.000 0.859 460 L CB 1.280 43.340 42.059 0.001 0.000 1.224 460 L HN 0.257 nan 8.230 nan 0.000 0.429 461 D N -0.438 119.973 120.400 0.019 0.000 2.312 461 D HA -0.166 4.473 4.640 -0.000 0.000 0.211 461 D C 1.560 177.879 176.300 0.031 0.000 0.964 461 D CA 1.217 55.229 54.000 0.021 0.000 0.877 461 D CB -0.065 40.745 40.800 0.016 0.000 0.924 461 D HN 0.544 nan 8.370 nan 0.000 0.515 462 T N -2.092 112.488 114.554 0.042 0.000 3.100 462 T HA 0.097 4.447 4.350 -0.000 0.000 0.253 462 T C 0.926 175.669 174.700 0.071 0.000 1.118 462 T CA -0.599 61.535 62.100 0.055 0.000 1.058 462 T CB -0.514 68.391 68.868 0.062 0.000 0.953 462 T HN 0.166 nan 8.240 nan 0.000 0.515 463 L N 2.501 123.764 121.223 0.068 0.000 2.453 463 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 463 L C -0.091 176.823 176.870 0.073 0.000 1.182 463 L CA 0.027 54.918 54.840 0.086 0.000 0.858 463 L CB 0.257 42.362 42.059 0.077 0.000 1.120 463 L HN 0.447 nan 8.230 nan 0.000 0.474 464 K N 2.809 123.264 120.400 0.091 0.000 2.579 464 K HA 0.548 4.867 4.320 -0.000 0.000 0.284 464 K C -1.899 174.737 176.600 0.060 0.000 0.990 464 K CA -1.091 55.236 56.287 0.066 0.000 0.880 464 K CB 1.611 34.152 32.500 0.068 0.000 1.488 464 K HN 0.239 nan 8.250 nan 0.000 0.425 465 V N 1.208 121.128 119.914 0.009 0.000 2.398 465 V HA 0.598 4.718 4.120 -0.000 0.000 0.286 465 V C 0.262 176.283 176.094 -0.121 0.000 1.026 465 V CA 0.007 62.278 62.300 -0.048 0.000 0.868 465 V CB 1.136 32.943 31.823 -0.026 0.000 0.982 465 V HN 0.915 nan 8.190 nan 0.000 0.443 466 G N 2.999 111.498 108.800 -0.500 0.000 2.932 466 G HA2 0.785 4.745 3.960 -0.000 0.000 0.283 466 G HA3 0.785 4.745 3.960 -0.000 0.000 0.283 466 G C -1.772 172.695 174.900 -0.721 0.000 1.336 466 G CA -0.577 44.161 45.100 -0.604 0.000 1.056 466 G HN 0.514 nan 8.290 nan 0.000 0.522 467 F N 0.986 120.641 119.950 -0.493 0.000 2.596 467 F HA 0.581 5.108 4.527 -0.000 0.000 0.311 467 F C -1.091 174.694 175.800 -0.026 0.000 1.116 467 F CA -0.914 56.858 58.000 -0.380 0.000 0.957 467 F CB 2.063 40.658 39.000 -0.674 0.000 1.250 467 F HN 0.789 nan 8.300 nan 0.000 0.444 468 N N 3.375 121.639 118.700 -0.728 0.000 2.825 468 N HA 0.574 5.313 4.740 -0.000 0.000 0.253 468 N C -0.354 174.710 175.510 -0.743 0.000 1.426 468 N CA -0.380 52.348 53.050 -0.537 0.000 0.851 468 N CB 1.117 39.548 38.487 -0.093 0.000 1.470 468 N HN 0.572 nan 8.380 nan 0.000 0.517 469 A N -0.092 122.512 122.820 -0.361 0.000 1.933 469 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 469 A C 1.674 179.105 177.584 -0.255 0.000 1.175 469 A CA 1.977 53.863 52.037 -0.250 0.000 0.628 469 A CB -1.050 17.884 19.000 -0.110 0.000 0.814 469 A HN 0.469 nan 8.150 nan 0.000 0.444 470 V N -1.026 118.722 119.914 -0.275 0.000 2.358 470 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 470 V C 1.954 177.755 176.094 -0.489 0.000 1.047 470 V CA 2.397 64.463 62.300 -0.389 0.000 1.035 470 V CB -0.894 30.640 31.823 -0.482 0.000 0.658 470 V HN 0.794 nan 8.190 nan 0.000 0.452 471 H N -1.741 117.227 119.070 -0.170 0.000 3.170 471 H HA 0.470 5.026 4.556 -0.000 0.000 0.264 471 H C 1.414 176.681 175.328 -0.101 0.000 1.113 471 H CA 0.357 56.345 56.048 -0.099 0.000 1.194 471 H CB 0.832 30.555 29.762 -0.064 0.000 1.553 471 H HN 0.479 nan 8.280 nan 0.000 0.538 472 G N 0.927 109.583 108.800 -0.240 0.000 2.596 472 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.295 472 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.295 472 G C -0.374 174.366 174.900 -0.266 0.000 1.240 472 G CA 0.131 44.983 45.100 -0.413 0.000 0.985 472 G HN 0.350 nan 8.290 nan 0.000 0.555 473 Y N 1.139 121.536 120.300 0.162 0.000 2.411 473 Y HA 0.525 5.075 4.550 -0.000 0.000 0.333 473 Y C 0.837 176.794 175.900 0.094 0.000 1.186 473 Y CA 0.915 59.083 58.100 0.112 0.000 1.381 473 Y CB 0.798 39.352 38.460 0.157 0.000 1.273 473 Y HN 0.721 nan 8.280 nan 0.000 0.546 474 Y N -0.517 119.909 120.300 0.211 0.000 2.588 474 Y HA 0.723 5.273 4.550 -0.000 0.000 0.343 474 Y C -1.501 174.451 175.900 0.086 0.000 1.065 474 Y CA -2.116 56.036 58.100 0.088 0.000 1.038 474 Y CB 0.731 39.184 38.460 -0.012 0.000 1.297 474 Y HN 0.342 nan 8.280 nan 0.000 0.467 475 I N 2.522 123.230 120.570 0.229 0.000 2.353 475 I HA 0.301 4.471 4.170 -0.000 0.000 0.293 475 I C -0.434 175.909 176.117 0.378 0.000 0.992 475 I CA -0.526 60.881 61.300 0.178 0.000 1.268 475 I CB 1.672 39.648 38.000 -0.040 0.000 1.387 475 I HN 0.657 nan 8.210 nan 0.000 0.478 476 Q N 6.652 126.667 119.800 0.358 0.000 2.322 476 Q HA 0.509 4.849 4.340 -0.000 0.000 0.265 476 Q C -1.319 174.841 176.000 0.266 0.000 0.985 476 Q CA -0.740 55.266 55.803 0.337 0.000 0.849 476 Q CB 1.361 30.305 28.738 0.343 0.000 1.274 476 Q HN 0.458 nan 8.270 nan 0.000 0.449 477 I N 2.260 123.015 120.570 0.308 0.000 2.607 477 I HA 0.305 4.475 4.170 -0.000 0.000 0.305 477 I C 0.532 176.759 176.117 0.184 0.000 0.995 477 I CA -0.672 60.768 61.300 0.232 0.000 1.148 477 I CB 1.377 39.532 38.000 0.258 0.000 1.323 477 I HN 0.749 nan 8.210 nan 0.000 0.461 478 S N 4.782 120.560 115.700 0.130 0.000 2.585 478 S HA 0.320 4.790 4.470 -0.000 0.000 0.273 478 S C 0.243 174.904 174.600 0.102 0.000 1.339 478 S CA -0.627 57.631 58.200 0.096 0.000 1.028 478 S CB 1.085 64.328 63.200 0.072 0.000 0.906 478 S HN 0.670 nan 8.310 nan 0.000 0.528 479 R N 0.464 121.006 120.500 0.070 0.000 2.590 479 R HA 0.413 4.753 4.340 -0.000 0.000 0.274 479 R C 1.372 177.699 176.300 0.045 0.000 1.061 479 R CA 1.060 57.194 56.100 0.057 0.000 1.081 479 R CB -0.363 29.952 30.300 0.026 0.000 0.984 479 R HN 1.234 nan 8.270 nan 0.000 0.448 480 G N 2.341 111.160 108.800 0.032 0.000 2.349 480 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.213 480 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.213 480 G C 0.742 175.687 174.900 0.075 0.000 1.044 480 G CA 0.285 45.390 45.100 0.008 0.000 0.633 480 G HN 0.622 nan 8.290 nan 0.000 0.506 481 Q N 0.367 120.244 119.800 0.128 0.000 2.317 481 Q HA 0.190 4.530 4.340 -0.000 0.000 0.220 481 Q C 2.540 178.668 176.000 0.212 0.000 0.873 481 Q CA 0.899 56.807 55.803 0.175 0.000 0.936 481 Q CB 0.590 29.389 28.738 0.102 0.000 1.105 481 Q HN 0.731 nan 8.270 nan 0.000 0.520 482 S N 1.002 116.832 115.700 0.218 0.000 2.447 482 S HA -0.166 4.304 4.470 -0.000 0.000 0.233 482 S C 1.806 176.544 174.600 0.231 0.000 1.006 482 S CA 1.161 59.504 58.200 0.238 0.000 0.957 482 S CB -0.466 62.894 63.200 0.266 0.000 0.773 482 S HN 0.529 nan 8.310 nan 0.000 0.507 483 H N 1.741 120.846 119.070 0.057 0.000 2.546 483 H HA 0.200 4.756 4.556 -0.000 0.000 0.277 483 H C 1.171 176.497 175.328 -0.004 0.000 1.004 483 H CA 0.526 56.595 56.048 0.035 0.000 1.231 483 H CB -0.539 29.237 29.762 0.025 0.000 1.382 483 H HN 0.494 nan 8.280 nan 0.000 0.580 484 L N 0.974 121.992 121.223 -0.341 0.000 2.741 484 L HA 0.450 4.790 4.340 -0.000 0.000 0.237 484 L C 0.921 177.636 176.870 -0.260 0.000 1.178 484 L CA -0.256 54.371 54.840 -0.354 0.000 0.973 484 L CB 0.086 41.959 42.059 -0.311 0.000 1.255 484 L HN 0.143 nan 8.230 nan 0.000 0.498 485 A N 1.018 123.696 122.820 -0.237 0.000 2.477 485 A HA 0.428 4.747 4.320 -0.000 0.000 0.246 485 A C -2.048 175.230 177.584 -0.512 0.000 1.078 485 A CA -0.947 50.824 52.037 -0.445 0.000 0.770 485 A CB -0.425 18.290 19.000 -0.475 0.000 1.011 485 A HN 0.019 nan 8.150 nan 0.000 0.494 486 P HA 0.014 nan 4.420 nan 0.000 0.265 486 P C 0.782 177.868 177.300 -0.356 0.000 1.187 486 P CA 0.099 62.848 63.100 -0.585 0.000 0.766 486 P CB 0.226 31.459 31.700 -0.777 0.000 0.820 487 I N 1.010 121.483 120.570 -0.162 0.000 2.756 487 I HA -0.189 3.980 4.170 -0.000 0.000 0.262 487 I C 1.770 177.906 176.117 0.032 0.000 1.225 487 I CA 1.017 62.289 61.300 -0.045 0.000 1.472 487 I CB -0.973 37.011 38.000 -0.026 0.000 1.094 487 I HN 0.373 nan 8.210 nan 0.000 0.454 488 N N 0.911 119.641 118.700 0.050 0.000 2.512 488 N HA -0.187 4.553 4.740 -0.000 0.000 0.183 488 N C 0.197 175.871 175.510 0.274 0.000 1.073 488 N CA 0.471 53.606 53.050 0.143 0.000 0.911 488 N CB -0.313 38.254 38.487 0.133 0.000 0.964 488 N HN 0.278 nan 8.380 nan 0.000 0.447 489 Y N 1.566 121.864 120.300 -0.004 0.000 2.480 489 Y HA 0.195 4.745 4.550 -0.000 0.000 0.341 489 Y C 0.815 176.831 175.900 0.194 0.000 1.031 489 Y CA -0.868 57.251 58.100 0.032 0.000 1.295 489 Y CB 0.404 38.708 38.460 -0.260 0.000 1.162 489 Y HN -0.055 nan 8.280 nan 0.000 0.523 490 M N 4.786 124.563 119.600 0.295 0.000 2.135 490 M HA 0.210 4.690 4.480 -0.000 0.000 0.345 490 M C 0.401 176.824 176.300 0.205 0.000 1.340 490 M CA -0.155 55.275 55.300 0.216 0.000 1.162 490 M CB 0.178 32.851 32.600 0.123 0.000 1.570 490 M HN 0.518 nan 8.290 nan 0.000 0.454 491 R N 2.102 122.690 120.500 0.147 0.000 2.570 491 R HA 0.083 4.423 4.340 -0.000 0.000 0.277 491 R C 0.830 177.044 176.300 -0.144 0.000 1.039 491 R CA 0.235 56.240 56.100 -0.157 0.000 1.065 491 R CB 0.980 31.182 30.300 -0.163 0.000 0.964 491 R HN 0.526 nan 8.270 nan 0.000 0.428 492 R N 1.118 121.465 120.500 -0.256 0.000 2.507 492 R HA 0.115 4.455 4.340 -0.000 0.000 0.230 492 R C -0.148 175.991 176.300 -0.267 0.000 0.897 492 R CA 0.227 56.202 56.100 -0.208 0.000 1.006 492 R CB 0.827 30.985 30.300 -0.236 0.000 1.341 492 R HN 0.609 nan 8.270 nan 0.000 0.604 493 Q N 0.343 119.919 119.800 -0.373 0.000 2.364 493 Q HA 0.236 4.576 4.340 -0.000 0.000 0.257 493 Q C -1.622 174.215 176.000 -0.272 0.000 0.956 493 Q CA -0.092 55.532 55.803 -0.298 0.000 0.924 493 Q CB 2.176 30.677 28.738 -0.395 0.000 1.413 493 Q HN -0.101 nan 8.270 nan 0.000 0.418 494 T N 4.488 118.938 114.554 -0.173 0.000 2.767 494 T HA 0.509 4.859 4.350 -0.000 0.000 0.284 494 T C -0.000 174.637 174.700 -0.104 0.000 0.973 494 T CA -0.333 61.685 62.100 -0.137 0.000 0.996 494 T CB 0.369 69.180 68.868 -0.095 0.000 0.927 494 T HN 0.387 nan 8.240 nan 0.000 0.456 495 L N 2.259 123.425 121.223 -0.096 0.000 2.376 495 L HA 0.499 4.839 4.340 -0.000 0.000 0.267 495 L C 2.026 178.871 176.870 -0.043 0.000 1.035 495 L CA -1.033 53.767 54.840 -0.067 0.000 0.800 495 L CB 0.769 42.786 42.059 -0.069 0.000 1.290 495 L HN 0.592 nan 8.230 nan 0.000 0.462 496 K N 0.550 120.932 120.400 -0.030 0.000 2.074 496 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 496 K C 0.841 177.434 176.600 -0.013 0.000 1.048 496 K CA 2.133 58.409 56.287 -0.019 0.000 0.926 496 K CB 0.047 32.538 32.500 -0.014 0.000 0.713 496 K HN 0.601 nan 8.250 nan 0.000 0.444 497 N N -1.367 117.328 118.700 -0.008 0.000 2.307 497 N HA 0.216 4.956 4.740 -0.000 0.000 0.248 497 N C -1.612 173.907 175.510 0.015 0.000 1.322 497 N CA -0.256 52.796 53.050 0.004 0.000 0.861 497 N CB 1.475 39.967 38.487 0.008 0.000 1.303 497 N HN 0.172 nan 8.380 nan 0.000 0.498 498 A N -0.007 122.815 122.820 0.005 0.000 2.610 498 A HA 0.587 4.907 4.320 -0.000 0.000 0.291 498 A C -1.573 176.001 177.584 -0.017 0.000 1.086 498 A CA -0.662 51.388 52.037 0.021 0.000 0.677 498 A CB 1.467 20.485 19.000 0.029 0.000 1.278 498 A HN 0.051 nan 8.150 nan 0.000 0.414 499 E N 0.879 121.085 120.200 0.009 0.000 2.256 499 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 499 E C -0.899 175.599 176.600 -0.170 0.000 0.892 499 E CA -0.732 55.586 56.400 -0.137 0.000 0.775 499 E CB 2.051 31.657 29.700 -0.157 0.000 1.207 499 E HN 0.608 nan 8.360 nan 0.000 0.420 500 R N 1.818 122.065 120.500 -0.422 0.000 2.740 500 R HA 0.606 4.946 4.340 -0.000 0.000 0.282 500 R C -0.763 175.251 176.300 -0.477 0.000 0.969 500 R CA -0.788 55.129 56.100 -0.306 0.000 0.918 500 R CB 1.197 31.184 30.300 -0.522 0.000 1.175 500 R HN 0.479 nan 8.270 nan 0.000 0.464 501 Y N 0.953 121.226 120.300 -0.044 0.000 2.609 501 Y HA 0.583 5.133 4.550 -0.000 0.000 0.342 501 Y C 0.358 176.216 175.900 -0.072 0.000 1.058 501 Y CA -1.276 56.786 58.100 -0.063 0.000 1.055 501 Y CB 1.788 40.207 38.460 -0.068 0.000 1.292 501 Y HN 0.527 nan 8.280 nan 0.000 0.476 502 I N 1.360 121.988 120.570 0.097 0.000 2.785 502 I HA 0.837 5.007 4.170 -0.000 0.000 0.302 502 I C -1.086 175.031 176.117 -0.000 0.000 1.069 502 I CA -1.160 60.169 61.300 0.048 0.000 1.045 502 I CB 2.547 40.597 38.000 0.083 0.000 1.236 502 I HN 0.684 nan 8.210 nan 0.000 0.429 503 I N 0.624 121.184 120.570 -0.017 0.000 3.002 503 I HA 0.603 4.773 4.170 -0.000 0.000 0.310 503 I C -2.191 173.959 176.117 0.054 0.000 1.087 503 I CA -2.213 59.096 61.300 0.014 0.000 1.017 503 I CB 2.074 40.064 38.000 -0.017 0.000 1.226 503 I HN 0.331 nan 8.210 nan 0.000 0.443 504 P HA -0.191 nan 4.420 nan 0.000 0.216 504 P C 1.266 178.614 177.300 0.081 0.000 1.150 504 P CA 1.458 64.597 63.100 0.065 0.000 0.837 504 P CB 0.203 31.937 31.700 0.056 0.000 0.786 505 E N -0.544 119.717 120.200 0.101 0.000 2.118 505 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 505 E C 1.969 178.690 176.600 0.201 0.000 0.992 505 E CA 0.740 57.237 56.400 0.162 0.000 0.804 505 E CB -0.409 29.391 29.700 0.167 0.000 0.741 505 E HN 0.036 nan 8.360 nan 0.000 0.458 506 L N 0.585 121.885 121.223 0.129 0.000 2.156 506 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 506 L C 1.975 178.936 176.870 0.151 0.000 1.095 506 L CA 1.515 56.425 54.840 0.117 0.000 0.770 506 L CB -0.014 42.090 42.059 0.075 0.000 0.914 506 L HN -0.090 nan 8.230 nan 0.000 0.439 507 K N -0.695 119.786 120.400 0.134 0.000 2.243 507 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 507 K C 1.997 178.654 176.600 0.095 0.000 1.051 507 K CA 0.587 56.954 56.287 0.133 0.000 0.970 507 K CB 0.023 32.584 32.500 0.101 0.000 0.755 507 K HN 0.308 nan 8.250 nan 0.000 0.465 508 E N -0.757 119.481 120.200 0.062 0.000 2.047 508 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 508 E C 1.272 177.803 176.600 -0.115 0.000 0.987 508 E CA 1.314 57.685 56.400 -0.048 0.000 0.799 508 E CB -0.057 29.581 29.700 -0.104 0.000 0.752 508 E HN 0.361 nan 8.360 nan 0.000 0.449 509 Y N 0.934 121.208 120.300 -0.044 0.000 2.373 509 Y HA -0.088 4.462 4.550 -0.000 0.000 0.293 509 Y C 2.358 178.238 175.900 -0.033 0.000 1.129 509 Y CA 1.355 59.407 58.100 -0.080 0.000 1.226 509 Y CB -0.012 38.376 38.460 -0.120 0.000 1.000 509 Y HN 0.201 nan 8.280 nan 0.000 0.549 510 E N 0.419 120.720 120.200 0.169 0.000 2.085 510 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 510 E C 1.463 178.191 176.600 0.213 0.000 0.994 510 E CA 1.633 58.223 56.400 0.316 0.000 0.801 510 E CB -0.069 29.888 29.700 0.430 0.000 0.743 510 E HN 0.418 nan 8.360 nan 0.000 0.453 511 D N 0.380 120.846 120.400 0.109 0.000 2.117 511 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 511 D C 1.892 178.211 176.300 0.032 0.000 0.987 511 D CA 0.978 55.011 54.000 0.055 0.000 0.829 511 D CB 0.025 40.829 40.800 0.006 0.000 0.961 511 D HN 0.217 nan 8.370 nan 0.000 0.460 512 K N 0.506 120.905 120.400 -0.002 0.000 2.057 512 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 512 K C 2.247 178.887 176.600 0.066 0.000 1.049 512 K CA 0.571 56.860 56.287 0.003 0.000 0.931 512 K CB -0.129 32.329 32.500 -0.069 0.000 0.714 512 K HN 0.048 nan 8.250 nan 0.000 0.440 513 V N 1.422 121.396 119.914 0.099 0.000 2.307 513 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 513 V C 2.175 178.316 176.094 0.078 0.000 1.045 513 V CA 1.394 63.761 62.300 0.113 0.000 1.024 513 V CB -0.293 31.641 31.823 0.186 0.000 0.651 513 V HN 0.153 nan 8.190 nan 0.000 0.449 514 L N 0.230 121.505 121.223 0.086 0.000 2.179 514 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 514 L C 2.601 179.466 176.870 -0.008 0.000 1.096 514 L CA 2.195 57.062 54.840 0.044 0.000 0.779 514 L CB -1.260 40.853 42.059 0.090 0.000 0.922 514 L HN 0.476 nan 8.230 nan 0.000 0.443 515 T N -3.456 111.089 114.554 -0.014 0.000 2.904 515 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 515 T C 2.098 176.702 174.700 -0.160 0.000 1.059 515 T CA 1.212 63.263 62.100 -0.082 0.000 1.137 515 T CB -0.221 68.611 68.868 -0.060 0.000 0.879 515 T HN 0.133 nan 8.240 nan 0.000 0.467 516 S N 1.320 116.991 115.700 -0.049 0.000 2.335 516 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 516 S C 2.060 176.633 174.600 -0.045 0.000 1.032 516 S CA 0.772 58.982 58.200 0.016 0.000 0.985 516 S CB -0.230 63.080 63.200 0.183 0.000 0.896 516 S HN 0.430 nan 8.310 nan 0.000 0.445 517 K N 0.431 120.822 120.400 -0.015 0.000 2.160 517 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 517 K C 2.096 178.647 176.600 -0.082 0.000 1.047 517 K CA 1.211 57.479 56.287 -0.032 0.000 0.930 517 K CB -0.430 32.049 32.500 -0.035 0.000 0.720 517 K HN 0.440 nan 8.250 nan 0.000 0.450 518 G N 0.892 109.618 108.800 -0.124 0.000 2.396 518 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.214 518 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.214 518 G C 1.276 176.050 174.900 -0.210 0.000 1.166 518 G CA 0.367 45.382 45.100 -0.141 0.000 0.793 518 G HN 0.201 nan 8.290 nan 0.000 0.533 519 K N 0.618 120.795 120.400 -0.372 0.000 2.155 519 K HA 0.186 4.506 4.320 -0.000 0.000 0.203 519 K C 2.807 179.183 176.600 -0.372 0.000 1.052 519 K CA 0.832 56.803 56.287 -0.527 0.000 0.948 519 K CB -0.106 31.690 32.500 -1.173 0.000 0.728 519 K HN 0.242 nan 8.250 nan 0.000 0.448 520 A N 0.908 123.576 122.820 -0.252 0.000 1.969 520 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 520 A C 2.054 179.620 177.584 -0.030 0.000 1.169 520 A CA 1.103 53.117 52.037 -0.039 0.000 0.635 520 A CB -0.386 18.647 19.000 0.055 0.000 0.810 520 A HN 0.195 nan 8.150 nan 0.000 0.445 521 L N -0.750 120.434 121.223 -0.065 0.000 2.109 521 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 521 L C 2.757 179.595 176.870 -0.054 0.000 1.086 521 L CA 1.585 56.393 54.840 -0.054 0.000 0.760 521 L CB -0.349 41.672 42.059 -0.062 0.000 0.910 521 L HN 0.339 nan 8.230 nan 0.000 0.437 522 A N -1.237 121.539 122.820 -0.074 0.000 1.968 522 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 522 A C 2.089 179.656 177.584 -0.029 0.000 1.169 522 A CA 1.280 53.281 52.037 -0.060 0.000 0.638 522 A CB -0.599 18.351 19.000 -0.083 0.000 0.812 522 A HN 0.351 nan 8.150 nan 0.000 0.446 523 L N 0.057 121.269 121.223 -0.018 0.000 2.095 523 L HA -0.017 4.323 4.340 -0.000 0.000 0.204 523 L C 2.143 179.047 176.870 0.058 0.000 1.080 523 L CA 1.783 56.644 54.840 0.035 0.000 0.759 523 L CB -1.108 40.998 42.059 0.079 0.000 0.914 523 L HN 0.481 nan 8.230 nan 0.000 0.439 524 E N -0.437 119.790 120.200 0.046 0.000 2.058 524 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 524 E C 2.100 178.731 176.600 0.052 0.000 0.997 524 E CA 1.546 57.980 56.400 0.056 0.000 0.801 524 E CB 0.001 29.711 29.700 0.016 0.000 0.746 524 E HN 0.472 nan 8.360 nan 0.000 0.450 525 K N 0.318 120.722 120.400 0.007 0.000 2.026 525 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 525 K C 2.269 178.896 176.600 0.045 0.000 1.048 525 K CA 1.039 57.326 56.287 0.000 0.000 0.929 525 K CB -0.053 32.426 32.500 -0.035 0.000 0.713 525 K HN 0.059 nan 8.250 nan 0.000 0.439 526 Q N 0.722 120.544 119.800 0.037 0.000 2.124 526 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 526 Q C 2.232 178.269 176.000 0.062 0.000 0.977 526 Q CA 1.183 57.010 55.803 0.040 0.000 0.850 526 Q CB -0.160 28.598 28.738 0.033 0.000 0.901 526 Q HN 0.381 nan 8.270 nan 0.000 0.429 527 L N -0.941 120.342 121.223 0.099 0.000 2.109 527 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 527 L C 2.329 179.271 176.870 0.119 0.000 1.086 527 L CA 0.991 55.921 54.840 0.150 0.000 0.760 527 L CB -0.535 41.665 42.059 0.235 0.000 0.910 527 L HN 0.147 nan 8.230 nan 0.000 0.437 528 Y N 1.101 121.368 120.300 -0.054 0.000 2.145 528 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 528 Y C 2.653 178.359 175.900 -0.324 0.000 1.145 528 Y CA 1.535 59.529 58.100 -0.178 0.000 1.148 528 Y CB 0.093 38.430 38.460 -0.205 0.000 0.981 528 Y HN 0.107 nan 8.280 nan 0.000 0.507 529 E N 0.304 120.420 120.200 -0.141 0.000 2.204 529 E HA -0.238 4.111 4.350 -0.000 0.000 0.195 529 E C 2.037 178.574 176.600 -0.104 0.000 0.990 529 E CA 1.311 57.585 56.400 -0.211 0.000 0.821 529 E CB -0.303 29.371 29.700 -0.043 0.000 0.750 529 E HN 0.691 nan 8.360 nan 0.000 0.477 530 E N 0.911 121.086 120.200 -0.040 0.000 2.152 530 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 530 E C 2.181 178.802 176.600 0.035 0.000 0.983 530 E CA 0.253 56.669 56.400 0.026 0.000 0.818 530 E CB -0.000 29.736 29.700 0.060 0.000 0.758 530 E HN 0.231 nan 8.360 nan 0.000 0.467 531 L N 0.065 121.264 121.223 -0.041 0.000 2.131 531 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 531 L C 2.484 179.432 176.870 0.130 0.000 1.092 531 L CA 1.131 55.962 54.840 -0.014 0.000 0.759 531 L CB -0.478 41.477 42.059 -0.174 0.000 0.903 531 L HN 0.192 nan 8.230 nan 0.000 0.435 532 F N 0.361 120.230 119.950 -0.134 0.000 2.186 532 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 532 F C 2.299 178.071 175.800 -0.046 0.000 1.090 532 F CA 0.333 58.275 58.000 -0.096 0.000 1.307 532 F CB -0.156 38.789 39.000 -0.090 0.000 1.019 532 F HN 0.218 nan 8.300 nan 0.000 0.489 533 D N 0.637 121.133 120.400 0.161 0.000 2.144 533 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 533 D C 2.231 178.565 176.300 0.056 0.000 0.984 533 D CA 1.045 55.095 54.000 0.083 0.000 0.834 533 D CB -0.438 40.401 40.800 0.066 0.000 0.955 533 D HN 0.298 nan 8.370 nan 0.000 0.465 534 L N -0.242 121.031 121.223 0.083 0.000 2.270 534 L HA -0.058 4.282 4.340 -0.000 0.000 0.210 534 L C 1.996 178.940 176.870 0.124 0.000 1.104 534 L CA 0.192 55.089 54.840 0.095 0.000 0.804 534 L CB 0.008 42.141 42.059 0.123 0.000 0.937 534 L HN 0.022 nan 8.230 nan 0.000 0.450 535 L N -0.621 120.673 121.223 0.118 0.000 2.127 535 L HA -0.059 4.281 4.340 -0.000 0.000 0.203 535 L C 2.241 179.146 176.870 0.058 0.000 1.080 535 L CA 1.487 56.410 54.840 0.138 0.000 0.768 535 L CB -0.682 41.434 42.059 0.096 0.000 0.924 535 L HN 0.123 nan 8.230 nan 0.000 0.444 536 L N -0.091 121.122 121.223 -0.017 0.000 2.191 536 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 536 L C -0.416 176.399 176.870 -0.093 0.000 1.103 536 L CA 0.855 55.658 54.840 -0.062 0.000 0.769 536 L CB -1.277 40.743 42.059 -0.064 0.000 0.908 536 L HN 0.278 nan 8.230 nan 0.000 0.438 537 P HA -0.101 nan 4.420 nan 0.000 0.233 537 P C 0.701 177.817 177.300 -0.306 0.000 1.167 537 P CA 1.163 64.095 63.100 -0.279 0.000 0.770 537 P CB 0.030 31.495 31.700 -0.393 0.000 0.837 538 H N -1.614 117.489 119.070 0.055 0.000 2.505 538 H HA 0.208 4.763 4.556 -0.000 0.000 0.289 538 H C 1.549 176.916 175.328 0.066 0.000 1.052 538 H CA -0.395 55.707 56.048 0.091 0.000 1.156 538 H CB -0.063 29.776 29.762 0.128 0.000 1.507 538 H HN 0.073 nan 8.280 nan 0.000 0.548 539 L N 1.541 122.815 121.223 0.085 0.000 2.017 539 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 539 L C 2.495 179.412 176.870 0.079 0.000 1.073 539 L CA 1.958 56.828 54.840 0.049 0.000 0.745 539 L CB -0.252 41.815 42.059 0.013 0.000 0.894 539 L HN 0.233 nan 8.230 nan 0.000 0.432 540 E N -0.368 119.890 120.200 0.097 0.000 2.023 540 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 540 E C 2.090 178.772 176.600 0.137 0.000 1.003 540 E CA 1.571 58.034 56.400 0.106 0.000 0.809 540 E CB -0.379 29.380 29.700 0.099 0.000 0.755 540 E HN 0.561 nan 8.360 nan 0.000 0.449 541 A N 0.695 123.630 122.820 0.191 0.000 1.978 541 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 541 A C 2.242 180.027 177.584 0.335 0.000 1.170 541 A CA 1.362 53.565 52.037 0.277 0.000 0.636 541 A CB -0.647 18.570 19.000 0.361 0.000 0.810 541 A HN 0.373 nan 8.150 nan 0.000 0.448 542 L N -1.214 120.110 121.223 0.169 0.000 2.109 542 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 542 L C 2.853 179.742 176.870 0.032 0.000 1.086 542 L CA 1.364 56.181 54.840 -0.039 0.000 0.760 542 L CB -0.488 41.487 42.059 -0.140 0.000 0.910 542 L HN 0.464 nan 8.230 nan 0.000 0.437 543 Q N -0.555 119.281 119.800 0.059 0.000 2.119 543 Q HA -0.234 4.106 4.340 -0.000 0.000 0.201 543 Q C 2.240 178.288 176.000 0.080 0.000 0.972 543 Q CA 1.233 57.072 55.803 0.060 0.000 0.847 543 Q CB -0.048 28.731 28.738 0.069 0.000 0.903 543 Q HN 0.533 nan 8.270 nan 0.000 0.433 544 Q N -0.217 119.648 119.800 0.107 0.000 2.084 544 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 544 Q C 2.252 178.326 176.000 0.124 0.000 0.978 544 Q CA 1.498 57.368 55.803 0.111 0.000 0.844 544 Q CB -0.094 28.715 28.738 0.118 0.000 0.898 544 Q HN 0.210 nan 8.270 nan 0.000 0.426 545 S N -0.018 115.786 115.700 0.172 0.000 2.348 545 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 545 S C 1.994 176.660 174.600 0.110 0.000 1.033 545 S CA 1.193 59.506 58.200 0.189 0.000 1.010 545 S CB -0.253 63.147 63.200 0.333 0.000 0.891 545 S HN 0.460 nan 8.310 nan 0.000 0.442 546 A N 0.452 123.313 122.820 0.069 0.000 1.972 546 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 546 A C 2.406 180.008 177.584 0.030 0.000 1.169 546 A CA 2.098 54.153 52.037 0.030 0.000 0.635 546 A CB -1.226 17.774 19.000 0.000 0.000 0.810 546 A HN 0.628 nan 8.150 nan 0.000 0.446 547 S N -0.324 115.405 115.700 0.048 0.000 2.355 547 S HA 0.000 4.470 4.470 -0.000 0.000 0.222 547 S C 2.225 176.858 174.600 0.055 0.000 1.031 547 S CA 1.520 59.751 58.200 0.051 0.000 0.993 547 S CB -0.525 62.715 63.200 0.068 0.000 0.859 547 S HN 0.835 nan 8.310 nan 0.000 0.453 548 A N 1.564 124.423 122.820 0.065 0.000 1.883 548 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 548 A C 2.265 179.874 177.584 0.042 0.000 1.186 548 A CA 1.663 53.737 52.037 0.062 0.000 0.624 548 A CB -0.973 18.067 19.000 0.067 0.000 0.822 548 A HN 0.586 nan 8.150 nan 0.000 0.444 549 L N -0.962 120.284 121.223 0.038 0.000 2.083 549 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 549 L C 3.054 179.918 176.870 -0.009 0.000 1.083 549 L CA 0.983 55.834 54.840 0.019 0.000 0.752 549 L CB -0.436 41.637 42.059 0.023 0.000 0.899 549 L HN 0.457 nan 8.230 nan 0.000 0.433 550 A N -0.419 122.392 122.820 -0.016 0.000 1.897 550 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 550 A C 2.254 179.782 177.584 -0.093 0.000 1.181 550 A CA 1.579 53.582 52.037 -0.057 0.000 0.620 550 A CB -0.434 18.534 19.000 -0.054 0.000 0.821 550 A HN 0.424 nan 8.150 nan 0.000 0.443 551 E N -0.626 119.549 120.200 -0.041 0.000 2.077 551 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 551 E C 1.877 178.465 176.600 -0.019 0.000 0.989 551 E CA 1.191 57.576 56.400 -0.024 0.000 0.800 551 E CB -0.172 29.602 29.700 0.123 0.000 0.746 551 E HN 0.454 nan 8.360 nan 0.000 0.452 552 L N 1.259 122.481 121.223 -0.002 0.000 2.046 552 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 552 L C 2.016 178.868 176.870 -0.029 0.000 1.077 552 L CA 1.943 56.782 54.840 -0.002 0.000 0.747 552 L CB -0.362 41.698 42.059 0.001 0.000 0.896 552 L HN 0.164 nan 8.230 nan 0.000 0.432 553 D N -1.024 119.345 120.400 -0.051 0.000 2.116 553 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 553 D C 2.155 178.396 176.300 -0.098 0.000 0.998 553 D CA 1.660 55.620 54.000 -0.068 0.000 0.836 553 D CB -0.025 40.728 40.800 -0.078 0.000 0.951 553 D HN 0.204 nan 8.370 nan 0.000 0.449 554 V N 0.464 120.276 119.914 -0.169 0.000 2.261 554 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 554 V C 2.748 178.782 176.094 -0.101 0.000 1.047 554 V CA 1.326 63.478 62.300 -0.247 0.000 1.015 554 V CB -0.474 30.971 31.823 -0.630 0.000 0.642 554 V HN 0.251 nan 8.190 nan 0.000 0.446 555 L N -0.563 120.646 121.223 -0.024 0.000 2.056 555 L HA -0.106 4.233 4.340 -0.000 0.000 0.207 555 L C 2.478 179.351 176.870 0.006 0.000 1.078 555 L CA 0.936 55.809 54.840 0.055 0.000 0.749 555 L CB -0.690 41.431 42.059 0.103 0.000 0.901 555 L HN 0.168 nan 8.230 nan 0.000 0.433 556 V N 0.705 120.614 119.914 -0.008 0.000 2.392 556 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 556 V C 2.385 178.464 176.094 -0.024 0.000 1.059 556 V CA 2.139 64.431 62.300 -0.013 0.000 1.051 556 V CB -0.825 30.994 31.823 -0.007 0.000 0.658 556 V HN 0.622 nan 8.190 nan 0.000 0.455 557 N N 0.404 119.084 118.700 -0.032 0.000 2.106 557 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 557 N C 1.904 177.395 175.510 -0.032 0.000 1.029 557 N CA 1.500 54.529 53.050 -0.035 0.000 0.848 557 N CB -0.089 38.370 38.487 -0.046 0.000 1.007 557 N HN 0.457 nan 8.380 nan 0.000 0.423 558 L N 0.720 121.932 121.223 -0.019 0.000 2.201 558 L HA -0.049 4.291 4.340 -0.000 0.000 0.212 558 L C 2.706 179.535 176.870 -0.068 0.000 1.105 558 L CA 0.909 55.746 54.840 -0.005 0.000 0.775 558 L CB -0.419 41.672 42.059 0.054 0.000 0.913 558 L HN 0.231 nan 8.230 nan 0.000 0.440 559 A N -0.335 122.434 122.820 -0.084 0.000 1.898 559 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 559 A C 2.331 179.872 177.584 -0.072 0.000 1.181 559 A CA 1.445 53.405 52.037 -0.127 0.000 0.620 559 A CB -0.387 18.555 19.000 -0.096 0.000 0.819 559 A HN 0.362 nan 8.150 nan 0.000 0.442 560 E N 0.166 120.339 120.200 -0.045 0.000 2.106 560 E HA -0.190 4.159 4.350 -0.000 0.000 0.192 560 E C 2.085 178.660 176.600 -0.043 0.000 0.984 560 E CA 0.803 57.195 56.400 -0.015 0.000 0.806 560 E CB -0.214 29.476 29.700 -0.018 0.000 0.750 560 E HN 0.431 nan 8.360 nan 0.000 0.458 561 R N 0.302 120.746 120.500 -0.094 0.000 2.066 561 R HA -0.015 4.325 4.340 -0.000 0.000 0.232 561 R C 2.397 178.468 176.300 -0.381 0.000 1.131 561 R CA 1.136 57.114 56.100 -0.203 0.000 0.955 561 R CB -1.007 29.206 30.300 -0.146 0.000 0.851 561 R HN 0.207 nan 8.270 nan 0.000 0.432 562 A N 0.570 123.247 122.820 -0.238 0.000 1.865 562 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 562 A C 2.143 179.702 177.584 -0.042 0.000 1.191 562 A CA 1.486 53.443 52.037 -0.133 0.000 0.623 562 A CB -0.939 18.055 19.000 -0.010 0.000 0.826 562 A HN 0.371 nan 8.150 nan 0.000 0.444 563 Y N 1.029 121.260 120.300 -0.116 0.000 2.181 563 Y HA -0.168 4.382 4.550 -0.000 0.000 0.288 563 Y C 2.834 178.683 175.900 -0.085 0.000 1.146 563 Y CA 2.153 60.216 58.100 -0.062 0.000 1.164 563 Y CB -0.695 37.732 38.460 -0.056 0.000 0.982 563 Y HN 0.333 nan 8.280 nan 0.000 0.515 564 T N 0.534 115.045 114.554 -0.072 0.000 2.701 564 T HA -0.128 4.222 4.350 -0.000 0.000 0.263 564 T C 1.674 176.261 174.700 -0.189 0.000 1.040 564 T CA 1.749 63.769 62.100 -0.132 0.000 1.147 564 T CB -0.438 68.376 68.868 -0.089 0.000 0.865 564 T HN 0.242 nan 8.240 nan 0.000 0.426 565 L N 1.085 122.134 121.223 -0.290 0.000 2.611 565 L HA 0.254 4.594 4.340 -0.000 0.000 0.229 565 L C 0.072 176.874 176.870 -0.115 0.000 1.137 565 L CA -0.100 54.569 54.840 -0.285 0.000 0.901 565 L CB -0.543 41.177 42.059 -0.565 0.000 1.098 565 L HN 0.314 nan 8.230 nan 0.000 0.456 566 N N -0.119 118.528 118.700 -0.087 0.000 2.726 566 N HA -0.198 4.542 4.740 -0.000 0.000 0.253 566 N C -0.767 174.909 175.510 0.277 0.000 1.059 566 N CA 0.589 53.669 53.050 0.050 0.000 0.701 566 N CB -1.019 37.488 38.487 0.034 0.000 0.899 566 N HN 0.224 nan 8.380 nan 0.000 0.548 567 Y N 0.221 120.562 120.300 0.068 0.000 2.408 567 Y HA 0.620 5.170 4.550 -0.000 0.000 0.324 567 Y C 1.339 177.313 175.900 0.122 0.000 1.302 567 Y CA -0.678 57.484 58.100 0.103 0.000 1.384 567 Y CB 0.982 39.541 38.460 0.165 0.000 1.367 567 Y HN 0.024 nan 8.280 nan 0.000 0.525 568 T N -0.301 114.360 114.554 0.178 0.000 2.883 568 T HA 0.324 4.674 4.350 -0.000 0.000 0.301 568 T C -1.421 173.014 174.700 -0.443 0.000 1.158 568 T CA -0.522 61.526 62.100 -0.086 0.000 1.007 568 T CB 0.820 69.642 68.868 -0.077 0.000 1.186 568 T HN 0.790 nan 8.240 nan 0.000 0.499 569 C N 6.225 125.050 119.300 -0.792 0.000 2.394 569 C HA 0.698 5.158 4.460 -0.000 0.000 0.362 569 C C -2.072 172.613 174.990 -0.508 0.000 1.268 569 C CA -1.622 56.804 59.018 -0.987 0.000 1.828 569 C CB -0.215 26.924 27.740 -1.003 0.000 2.442 569 C HN 0.656 nan 8.230 nan 0.000 0.549 570 P HA 0.301 nan 4.420 nan 0.000 0.277 570 P C -0.449 176.472 177.300 -0.631 0.000 1.240 570 P CA 0.225 63.051 63.100 -0.457 0.000 0.798 570 P CB 1.037 32.469 31.700 -0.447 0.000 0.979 571 T N -0.957 113.273 114.554 -0.540 0.000 2.945 571 T HA 0.646 4.996 4.350 -0.000 0.000 0.286 571 T C -0.388 173.963 174.700 -0.581 0.000 1.025 571 T CA -0.516 61.266 62.100 -0.529 0.000 1.039 571 T CB 0.479 69.203 68.868 -0.240 0.000 1.068 571 T HN 0.083 nan 8.240 nan 0.000 0.497 572 F N 1.186 121.097 119.950 -0.065 0.000 2.443 572 F HA 0.653 5.180 4.527 -0.000 0.000 0.335 572 F C 0.364 176.163 175.800 -0.001 0.000 1.104 572 F CA -1.676 56.300 58.000 -0.041 0.000 1.013 572 F CB 1.244 40.216 39.000 -0.046 0.000 1.136 572 F HN 0.679 nan 8.300 nan 0.000 0.470 573 I N -1.625 119.074 120.570 0.215 0.000 2.910 573 I HA 0.580 4.750 4.170 -0.000 0.000 0.310 573 I C 0.199 176.405 176.117 0.147 0.000 1.043 573 I CA -0.821 60.563 61.300 0.141 0.000 1.053 573 I CB 1.471 39.527 38.000 0.093 0.000 1.242 573 I HN 0.299 nan 8.210 nan 0.000 0.452 574 D N 1.486 121.951 120.400 0.109 0.000 2.178 574 D HA -0.029 4.611 4.640 -0.000 0.000 0.202 574 D C 0.189 176.567 176.300 0.130 0.000 0.974 574 D CA 1.735 55.796 54.000 0.101 0.000 0.841 574 D CB 0.029 40.874 40.800 0.075 0.000 0.953 574 D HN 0.450 nan 8.370 nan 0.000 0.478 575 K N -0.001 120.474 120.400 0.125 0.000 2.221 575 K HA 0.357 4.677 4.320 -0.000 0.000 0.243 575 K C -2.551 174.132 176.600 0.137 0.000 0.968 575 K CA -2.126 54.239 56.287 0.130 0.000 0.846 575 K CB 1.964 34.507 32.500 0.072 0.000 1.141 575 K HN -0.185 nan 8.250 nan 0.000 0.434 576 P HA 0.131 nan 4.420 nan 0.000 0.267 576 P C -0.627 176.715 177.300 0.070 0.000 1.209 576 P CA -0.079 63.085 63.100 0.107 0.000 0.763 576 P CB 0.780 32.472 31.700 -0.013 0.000 0.816 577 G N 2.406 111.261 108.800 0.092 0.000 2.616 577 G HA2 0.565 4.525 3.960 -0.000 0.000 0.294 577 G HA3 0.565 4.525 3.960 -0.000 0.000 0.294 577 G C -1.829 173.115 174.900 0.074 0.000 1.489 577 G CA -0.638 44.501 45.100 0.066 0.000 0.836 577 G HN 0.387 nan 8.290 nan 0.000 0.527 578 I N 1.092 121.692 120.570 0.049 0.000 2.497 578 I HA 0.426 4.596 4.170 -0.000 0.000 0.284 578 I C -0.421 175.708 176.117 0.021 0.000 1.060 578 I CA -0.775 60.547 61.300 0.037 0.000 1.071 578 I CB 2.196 40.214 38.000 0.031 0.000 1.216 578 I HN 0.258 nan 8.210 nan 0.000 0.442 579 R N 7.209 127.715 120.500 0.009 0.000 2.360 579 R HA 0.719 5.059 4.340 -0.000 0.000 0.318 579 R C -1.024 175.271 176.300 -0.007 0.000 0.950 579 R CA -0.669 55.434 56.100 0.005 0.000 0.837 579 R CB 2.185 32.486 30.300 0.002 0.000 1.165 579 R HN 0.549 nan 8.270 nan 0.000 0.458 580 I N 2.014 122.586 120.570 0.005 0.000 2.436 580 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 580 I C -0.225 175.905 176.117 0.021 0.000 1.010 580 I CA -0.721 60.579 61.300 0.000 0.000 1.098 580 I CB 2.481 40.481 38.000 -0.000 0.000 1.266 580 I HN 0.420 nan 8.210 nan 0.000 0.434 581 T N 5.041 119.601 114.554 0.010 0.000 2.756 581 T HA 0.227 4.577 4.350 -0.000 0.000 0.290 581 T C 0.023 174.742 174.700 0.032 0.000 0.985 581 T CA -0.399 61.714 62.100 0.022 0.000 0.955 581 T CB 0.629 69.502 68.868 0.008 0.000 0.930 581 T HN 0.593 nan 8.240 nan 0.000 0.451 582 E N 0.926 121.161 120.200 0.057 0.000 2.271 582 E HA -0.135 4.215 4.350 -0.000 0.000 0.223 582 E C 0.590 177.243 176.600 0.089 0.000 1.223 582 E CA 0.515 56.962 56.400 0.078 0.000 0.704 582 E CB -1.352 28.385 29.700 0.061 0.000 1.194 582 E HN 0.908 nan 8.360 nan 0.000 0.375 583 G N 0.562 109.419 108.800 0.096 0.000 2.483 583 G HA2 0.384 4.344 3.960 -0.000 0.000 0.248 583 G HA3 0.384 4.344 3.960 -0.000 0.000 0.248 583 G C 0.184 175.194 174.900 0.183 0.000 1.248 583 G CA -0.360 44.789 45.100 0.082 0.000 0.838 583 G HN 0.065 nan 8.290 nan 0.000 0.566 584 R N -1.018 119.553 120.500 0.118 0.000 2.854 584 R HA 0.358 4.698 4.340 -0.000 0.000 0.271 584 R C -0.663 175.614 176.300 -0.038 0.000 0.994 584 R CA -0.998 55.197 56.100 0.158 0.000 0.945 584 R CB 1.362 31.630 30.300 -0.053 0.000 1.194 584 R HN 0.773 nan 8.270 nan 0.000 0.476 585 H N 3.615 122.530 119.070 -0.259 0.000 2.878 585 H HA 0.115 4.671 4.556 -0.000 0.000 0.290 585 H C -1.406 173.712 175.328 -0.349 0.000 1.065 585 H CA -1.646 54.259 56.048 -0.238 0.000 1.477 585 H CB 1.133 30.846 29.762 -0.082 0.000 1.484 585 H HN 0.327 nan 8.280 nan 0.000 0.504 586 P HA -0.180 nan 4.420 nan 0.000 0.220 586 P C 1.001 178.333 177.300 0.053 0.000 1.148 586 P CA 0.837 63.895 63.100 -0.070 0.000 0.803 586 P CB 0.474 32.111 31.700 -0.105 0.000 0.782 587 V N -0.208 119.831 119.914 0.209 0.000 2.374 587 V HA -0.102 4.018 4.120 -0.000 0.000 0.241 587 V C 2.797 178.924 176.094 0.055 0.000 1.034 587 V CA 1.144 63.540 62.300 0.160 0.000 1.037 587 V CB -1.160 30.788 31.823 0.209 0.000 0.682 587 V HN -0.110 nan 8.190 nan 0.000 0.463 588 V N 1.807 121.709 119.914 -0.020 0.000 2.392 588 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 588 V C 2.587 178.631 176.094 -0.083 0.000 1.059 588 V CA 2.358 64.593 62.300 -0.108 0.000 1.051 588 V CB -0.985 30.757 31.823 -0.135 0.000 0.658 588 V HN 0.878 nan 8.190 nan 0.000 0.455 589 E N -0.065 119.952 120.200 -0.305 0.000 2.268 589 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 589 E C 1.943 178.521 176.600 -0.037 0.000 0.995 589 E CA 1.142 57.396 56.400 -0.243 0.000 0.836 589 E CB -0.167 29.274 29.700 -0.431 0.000 0.763 589 E HN 0.570 nan 8.360 nan 0.000 0.491 590 Q N 0.245 120.034 119.800 -0.019 0.000 2.339 590 Q HA 0.089 4.429 4.340 -0.000 0.000 0.205 590 Q C 2.218 178.231 176.000 0.022 0.000 0.925 590 Q CA 0.630 56.440 55.803 0.012 0.000 0.898 590 Q CB 0.602 29.350 28.738 0.017 0.000 1.013 590 Q HN 0.250 nan 8.270 nan 0.000 0.504 591 V N 0.359 120.287 119.914 0.023 0.000 2.992 591 V HA 0.093 4.212 4.120 -0.000 0.000 0.250 591 V C 0.978 177.094 176.094 0.036 0.000 1.090 591 V CA 0.598 62.914 62.300 0.026 0.000 1.101 591 V CB 0.297 32.132 31.823 0.020 0.000 0.743 591 V HN 0.113 nan 8.190 nan 0.000 0.468 592 L N 0.637 121.893 121.223 0.056 0.000 2.334 592 L HA 0.471 4.811 4.340 -0.000 0.000 0.276 592 L C 0.584 177.498 176.870 0.073 0.000 1.014 592 L CA -0.314 54.567 54.840 0.069 0.000 0.815 592 L CB 1.510 43.627 42.059 0.097 0.000 1.268 592 L HN 0.134 nan 8.230 nan 0.000 0.428 593 N N 0.924 119.658 118.700 0.057 0.000 2.322 593 N HA 0.013 4.753 4.740 -0.000 0.000 0.194 593 N C -0.109 175.432 175.510 0.050 0.000 1.126 593 N CA -0.064 53.015 53.050 0.049 0.000 0.845 593 N CB 0.674 39.182 38.487 0.034 0.000 0.976 593 N HN 0.555 nan 8.380 nan 0.000 0.475 594 E N 2.518 122.754 120.200 0.061 0.000 2.366 594 E HA 0.183 4.533 4.350 -0.000 0.000 0.266 594 E C -2.127 174.516 176.600 0.072 0.000 1.051 594 E CA -1.735 54.694 56.400 0.048 0.000 0.884 594 E CB 0.609 30.333 29.700 0.040 0.000 1.006 594 E HN 0.070 nan 8.360 nan 0.000 0.417 595 P HA -0.037 nan 4.420 nan 0.000 0.266 595 P C -0.925 176.437 177.300 0.103 0.000 1.195 595 P CA 0.239 63.379 63.100 0.067 0.000 0.768 595 P CB 0.234 31.943 31.700 0.016 0.000 0.838 596 F N 3.373 123.344 119.950 0.035 0.000 2.420 596 F HA 0.336 4.863 4.527 -0.000 0.000 0.342 596 F C 0.075 175.913 175.800 0.063 0.000 1.113 596 F CA -1.011 57.029 58.000 0.066 0.000 1.059 596 F CB 0.713 39.763 39.000 0.084 0.000 1.128 596 F HN 0.092 nan 8.300 nan 0.000 0.475 597 I N 6.439 126.669 120.570 -0.567 0.000 2.301 597 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 597 I C 0.572 176.582 176.117 -0.179 0.000 1.046 597 I CA -0.429 60.709 61.300 -0.270 0.000 1.282 597 I CB 0.140 37.997 38.000 -0.238 0.000 1.409 597 I HN 0.659 nan 8.210 nan 0.000 0.484 598 A N 7.504 130.383 122.820 0.097 0.000 2.386 598 A HA 0.492 4.812 4.320 -0.000 0.000 0.248 598 A C 0.167 177.819 177.584 0.115 0.000 1.082 598 A CA -0.228 51.928 52.037 0.198 0.000 0.789 598 A CB 0.364 19.476 19.000 0.186 0.000 1.025 598 A HN 0.781 nan 8.150 nan 0.000 0.490 599 N N 0.410 119.211 118.700 0.169 0.000 2.277 599 N HA 0.540 5.280 4.740 -0.000 0.000 0.286 599 N C -3.130 172.491 175.510 0.184 0.000 1.140 599 N CA -0.951 52.191 53.050 0.153 0.000 0.799 599 N CB 2.622 41.236 38.487 0.213 0.000 1.596 599 N HN 0.418 nan 8.380 nan 0.000 0.473 600 P HA 0.397 nan 4.420 nan 0.000 0.276 600 P C -0.987 176.441 177.300 0.213 0.000 1.261 600 P CA -0.512 62.666 63.100 0.131 0.000 0.800 600 P CB 1.292 33.038 31.700 0.076 0.000 1.066 601 L N 1.004 122.310 121.223 0.139 0.000 2.513 601 L HA 0.593 4.933 4.340 -0.000 0.000 0.261 601 L C -1.723 175.190 176.870 0.071 0.000 0.945 601 L CA -0.429 54.491 54.840 0.133 0.000 0.848 601 L CB 1.951 44.048 42.059 0.063 0.000 1.334 601 L HN 0.300 nan 8.230 nan 0.000 0.407 602 N N 4.675 123.416 118.700 0.069 0.000 2.609 602 N HA 0.531 5.271 4.740 -0.000 0.000 0.268 602 N C -2.135 173.399 175.510 0.040 0.000 1.106 602 N CA -0.213 52.864 53.050 0.044 0.000 0.823 602 N CB 0.760 39.270 38.487 0.039 0.000 1.263 602 N HN 0.659 nan 8.380 nan 0.000 0.533 603 L N 1.970 123.212 121.223 0.033 0.000 2.333 603 L HA 0.660 4.999 4.340 -0.000 0.000 0.280 603 L C 0.081 176.964 176.870 0.022 0.000 1.004 603 L CA -0.576 54.281 54.840 0.028 0.000 0.820 603 L CB 1.661 43.737 42.059 0.029 0.000 1.247 603 L HN 0.615 nan 8.230 nan 0.000 0.416 604 S N 1.610 117.318 115.700 0.013 0.000 2.732 604 S HA 0.600 5.070 4.470 -0.000 0.000 0.293 604 S C -2.489 172.107 174.600 -0.007 0.000 1.159 604 S CA -1.316 56.889 58.200 0.008 0.000 0.847 604 S CB 1.916 65.121 63.200 0.009 0.000 1.169 604 S HN 0.267 nan 8.310 nan 0.000 0.501 605 P HA -0.013 nan 4.420 nan 0.000 0.219 605 P C 0.786 178.070 177.300 -0.027 0.000 1.146 605 P CA 1.213 64.294 63.100 -0.032 0.000 0.808 605 P CB -0.038 31.641 31.700 -0.035 0.000 0.779 606 Q N -1.668 118.122 119.800 -0.017 0.000 2.425 606 Q HA 0.080 4.420 4.340 -0.000 0.000 0.204 606 Q C 0.943 176.934 176.000 -0.016 0.000 0.933 606 Q CA 0.461 56.255 55.803 -0.016 0.000 0.939 606 Q CB 0.173 28.906 28.738 -0.009 0.000 1.044 606 Q HN 0.081 nan 8.270 nan 0.000 0.513 607 R N 0.136 120.629 120.500 -0.012 0.000 2.818 607 R HA 0.272 4.612 4.340 -0.000 0.000 0.258 607 R C -0.166 176.131 176.300 -0.005 0.000 1.797 607 R CA -0.032 56.064 56.100 -0.007 0.000 1.532 607 R CB 0.229 30.532 30.300 0.004 0.000 1.413 607 R HN -0.011 nan 8.270 nan 0.000 0.622 608 R N 1.006 121.495 120.500 -0.018 0.000 2.223 608 R HA 0.221 4.561 4.340 -0.000 0.000 0.198 608 R C 0.532 176.827 176.300 -0.008 0.000 0.984 608 R CA 0.641 56.730 56.100 -0.018 0.000 1.018 608 R CB 0.536 30.813 30.300 -0.039 0.000 0.945 608 R HN 0.295 nan 8.270 nan 0.000 0.479 609 M N 1.181 120.774 119.600 -0.012 0.000 2.324 609 M HA 0.357 4.837 4.480 -0.000 0.000 0.288 609 M C -1.915 174.396 176.300 0.018 0.000 1.097 609 M CA -0.528 54.772 55.300 -0.001 0.000 0.928 609 M CB 1.899 34.465 32.600 -0.056 0.000 1.648 609 M HN -0.112 nan 8.290 nan 0.000 0.460 610 L N 5.730 126.995 121.223 0.069 0.000 2.313 610 L HA 0.554 4.894 4.340 -0.000 0.000 0.283 610 L C -0.606 176.344 176.870 0.133 0.000 1.013 610 L CA -0.973 53.923 54.840 0.093 0.000 0.816 610 L CB 1.743 43.882 42.059 0.133 0.000 1.236 610 L HN 0.628 nan 8.230 nan 0.000 0.419 611 I N 5.003 125.636 120.570 0.104 0.000 2.312 611 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 611 I C 0.125 176.338 176.117 0.160 0.000 1.031 611 I CA -0.127 61.263 61.300 0.151 0.000 1.293 611 I CB 1.186 39.218 38.000 0.053 0.000 1.403 611 I HN 0.487 nan 8.210 nan 0.000 0.484 612 I N 6.784 127.468 120.570 0.189 0.000 2.337 612 I HA 0.175 4.345 4.170 -0.000 0.000 0.285 612 I C 0.902 177.123 176.117 0.172 0.000 1.041 612 I CA -0.299 61.101 61.300 0.167 0.000 1.199 612 I CB 0.868 38.964 38.000 0.159 0.000 1.370 612 I HN 0.554 nan 8.210 nan 0.000 0.470 613 T N 2.092 116.766 114.554 0.200 0.000 2.880 613 T HA 0.895 5.245 4.350 -0.000 0.000 0.279 613 T C 0.455 175.295 174.700 0.233 0.000 0.990 613 T CA -0.211 62.019 62.100 0.217 0.000 0.938 613 T CB 1.775 70.790 68.868 0.245 0.000 1.206 613 T HN 0.989 nan 8.240 nan 0.000 0.573 614 G N 0.513 109.455 108.800 0.235 0.000 2.592 614 G HA2 0.116 4.076 3.960 -0.000 0.000 0.684 614 G HA3 0.116 4.076 3.960 -0.000 0.000 0.684 614 G C -3.162 171.872 174.900 0.224 0.000 1.291 614 G CA -0.699 44.560 45.100 0.265 0.000 0.891 614 G HN 0.811 nan 8.290 nan 0.000 0.544 615 P HA 0.122 nan 4.420 nan 0.000 0.269 615 P C 0.455 177.773 177.300 0.030 0.000 1.209 615 P CA -0.170 63.018 63.100 0.145 0.000 0.776 615 P CB 0.953 32.764 31.700 0.185 0.000 0.876 616 N N 2.816 121.487 118.700 -0.047 0.000 2.202 616 N HA -0.002 4.738 4.740 -0.000 0.000 0.191 616 N C 1.031 176.431 175.510 -0.183 0.000 1.054 616 N CA 0.883 53.880 53.050 -0.088 0.000 0.877 616 N CB -0.460 37.979 38.487 -0.079 0.000 1.057 616 N HN 0.236 nan 8.380 nan 0.000 0.456 617 M N -0.377 119.073 119.600 -0.250 0.000 2.545 617 M HA -0.224 4.255 4.480 -0.000 0.000 0.192 617 M C 1.031 177.203 176.300 -0.214 0.000 0.512 617 M CA 1.327 56.441 55.300 -0.311 0.000 0.508 617 M CB -2.607 29.633 32.600 -0.602 0.000 1.844 617 M HN 0.583 nan 8.290 nan 0.000 0.756 618 G N -1.998 106.701 108.800 -0.168 0.000 2.241 618 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 618 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 618 G C 0.945 175.710 174.900 -0.224 0.000 0.998 618 G CA 0.793 45.800 45.100 -0.156 0.000 0.621 618 G HN 1.056 nan 8.290 nan 0.000 0.519 619 G N 0.565 109.173 108.800 -0.319 0.000 2.459 619 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 619 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 619 G C 1.628 176.455 174.900 -0.121 0.000 1.183 619 G CA 1.769 46.646 45.100 -0.372 0.000 0.776 619 G HN 0.607 nan 8.290 nan 0.000 0.552 620 K N 0.478 120.851 120.400 -0.046 0.000 2.001 620 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 620 K C 2.994 179.651 176.600 0.096 0.000 1.048 620 K CA 1.368 57.690 56.287 0.058 0.000 0.932 620 K CB -0.311 32.219 32.500 0.051 0.000 0.715 620 K HN 0.228 nan 8.250 nan 0.000 0.437 621 S N 0.725 116.442 115.700 0.028 0.000 2.374 621 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 621 S C 2.091 176.736 174.600 0.075 0.000 1.037 621 S CA 1.889 60.109 58.200 0.033 0.000 1.024 621 S CB -0.468 62.728 63.200 -0.007 0.000 0.861 621 S HN 0.346 nan 8.310 nan 0.000 0.456 622 T N 0.644 115.236 114.554 0.064 0.000 2.746 622 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 622 T C 1.556 176.418 174.700 0.270 0.000 1.039 622 T CA 1.295 63.483 62.100 0.146 0.000 1.142 622 T CB -0.408 68.502 68.868 0.071 0.000 0.866 622 T HN 0.507 nan 8.240 nan 0.000 0.444 623 Y N 1.219 121.569 120.300 0.083 0.000 2.224 623 Y HA -0.029 4.521 4.550 -0.000 0.000 0.289 623 Y C 2.186 178.137 175.900 0.085 0.000 1.146 623 Y CA 1.217 59.371 58.100 0.090 0.000 1.182 623 Y CB -0.322 38.161 38.460 0.039 0.000 0.983 623 Y HN 0.160 nan 8.280 nan 0.000 0.524 624 M N -0.891 118.735 119.600 0.044 0.000 2.193 624 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 624 M C 2.216 178.494 176.300 -0.036 0.000 1.071 624 M CA 1.375 56.644 55.300 -0.052 0.000 1.140 624 M CB -0.170 32.450 32.600 0.032 0.000 1.369 624 M HN 0.099 nan 8.290 nan 0.000 0.423 625 R N 0.540 121.069 120.500 0.047 0.000 2.115 625 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 625 R C 2.274 178.558 176.300 -0.027 0.000 1.111 625 R CA 1.469 57.604 56.100 0.059 0.000 0.976 625 R CB -0.310 30.095 30.300 0.174 0.000 0.870 625 R HN 0.582 nan 8.270 nan 0.000 0.445 626 Q N -0.100 119.707 119.800 0.012 0.000 2.172 626 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 626 Q C 1.351 177.264 176.000 -0.145 0.000 0.964 626 Q CA 1.579 57.308 55.803 -0.124 0.000 0.855 626 Q CB -0.252 28.527 28.738 0.068 0.000 0.918 626 Q HN 0.027 nan 8.270 nan 0.000 0.444 627 T N 1.624 116.084 114.554 -0.158 0.000 2.684 627 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 627 T C 2.029 176.673 174.700 -0.094 0.000 1.036 627 T CA 1.777 63.783 62.100 -0.157 0.000 1.148 627 T CB -0.459 68.281 68.868 -0.214 0.000 0.863 627 T HN 0.545 nan 8.240 nan 0.000 0.436 628 A N 0.850 123.624 122.820 -0.077 0.000 1.930 628 A HA 0.068 4.388 4.320 -0.000 0.000 0.217 628 A C 2.293 179.840 177.584 -0.061 0.000 1.175 628 A CA 1.101 53.110 52.037 -0.047 0.000 0.627 628 A CB -0.726 18.255 19.000 -0.032 0.000 0.815 628 A HN 0.486 nan 8.150 nan 0.000 0.443 629 L N -0.770 120.382 121.223 -0.117 0.000 2.179 629 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 629 L C 2.357 179.156 176.870 -0.118 0.000 1.096 629 L CA 0.688 55.443 54.840 -0.142 0.000 0.779 629 L CB -0.376 41.527 42.059 -0.261 0.000 0.922 629 L HN 0.351 nan 8.230 nan 0.000 0.443 630 I N -0.033 120.462 120.570 -0.124 0.000 2.226 630 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 630 I C 2.813 178.913 176.117 -0.030 0.000 1.100 630 I CA 1.125 62.362 61.300 -0.106 0.000 1.374 630 I CB -0.398 37.534 38.000 -0.114 0.000 1.057 630 I HN 0.206 nan 8.210 nan 0.000 0.413 631 A N 1.086 123.917 122.820 0.017 0.000 1.865 631 A HA -0.233 4.086 4.320 -0.000 0.000 0.217 631 A C 2.275 179.969 177.584 0.183 0.000 1.191 631 A CA 1.635 53.751 52.037 0.133 0.000 0.623 631 A CB -0.918 18.153 19.000 0.118 0.000 0.826 631 A HN 0.413 nan 8.150 nan 0.000 0.444 632 L N -0.375 120.899 121.223 0.084 0.000 2.012 632 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 632 L C 2.303 179.229 176.870 0.093 0.000 1.073 632 L CA 2.520 57.408 54.840 0.080 0.000 0.748 632 L CB -1.290 40.773 42.059 0.007 0.000 0.891 632 L HN 0.499 nan 8.230 nan 0.000 0.431 633 M N -0.389 119.234 119.600 0.039 0.000 2.099 633 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 633 M C 2.353 178.686 176.300 0.056 0.000 1.067 633 M CA 1.667 56.992 55.300 0.041 0.000 1.124 633 M CB -0.580 32.009 32.600 -0.017 0.000 1.353 633 M HN 0.392 nan 8.290 nan 0.000 0.410 634 A N -0.171 122.657 122.820 0.014 0.000 1.927 634 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 634 A C 1.579 179.149 177.584 -0.023 0.000 1.185 634 A CA 1.859 53.869 52.037 -0.045 0.000 0.639 634 A CB -1.128 17.789 19.000 -0.137 0.000 0.820 634 A HN 0.574 nan 8.150 nan 0.000 0.451 635 Y N -1.418 118.956 120.300 0.122 0.000 2.470 635 Y HA 0.317 4.867 4.550 -0.000 0.000 0.284 635 Y C 1.573 177.477 175.900 0.008 0.000 1.188 635 Y CA -0.064 58.076 58.100 0.066 0.000 1.269 635 Y CB 0.268 38.740 38.460 0.020 0.000 1.094 635 Y HN 0.380 nan 8.280 nan 0.000 0.518 636 I N -1.549 119.097 120.570 0.126 0.000 3.854 636 I HA 0.164 4.334 4.170 -0.000 0.000 0.312 636 I C 1.433 177.570 176.117 0.033 0.000 1.273 636 I CA 1.074 62.416 61.300 0.070 0.000 1.298 636 I CB 0.191 38.274 38.000 0.139 0.000 1.071 636 I HN 0.327 nan 8.210 nan 0.000 0.428 637 G N 1.281 110.129 108.800 0.079 0.000 2.159 637 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.227 637 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.227 637 G C 0.419 175.428 174.900 0.182 0.000 0.986 637 G CA 0.484 45.648 45.100 0.106 0.000 0.651 637 G HN 0.480 nan 8.290 nan 0.000 0.523 638 S N -0.635 115.181 115.700 0.193 0.000 2.632 638 S HA 0.688 5.158 4.470 -0.000 0.000 0.267 638 S C 0.687 175.495 174.600 0.348 0.000 1.276 638 S CA -0.614 57.733 58.200 0.244 0.000 0.998 638 S CB 0.499 63.828 63.200 0.215 0.000 0.953 638 S HN 0.283 nan 8.310 nan 0.000 0.547 639 Y N 1.064 121.442 120.300 0.130 0.000 2.296 639 Y HA 0.388 4.938 4.550 -0.000 0.000 0.343 639 Y C 0.774 176.699 175.900 0.042 0.000 1.292 639 Y CA -1.024 57.144 58.100 0.114 0.000 1.490 639 Y CB 0.289 38.871 38.460 0.202 0.000 1.359 639 Y HN 0.513 nan 8.280 nan 0.000 0.599 640 V N -0.617 119.304 119.914 0.011 0.000 2.962 640 V HA 0.603 4.723 4.120 -0.000 0.000 0.313 640 V C -2.848 172.945 176.094 -0.501 0.000 1.099 640 V CA -2.939 59.167 62.300 -0.324 0.000 0.971 640 V CB 2.098 33.796 31.823 -0.208 0.000 1.028 640 V HN 0.587 nan 8.190 nan 0.000 0.430 641 P HA 0.551 nan 4.420 nan 0.000 0.260 641 P C -0.351 176.854 177.300 -0.158 0.000 1.651 641 P CA 0.526 63.340 63.100 -0.475 0.000 1.139 641 P CB 0.451 31.855 31.700 -0.493 0.000 1.756 642 A N 3.128 125.908 122.820 -0.066 0.000 2.567 642 A HA 0.287 4.607 4.320 -0.000 0.000 0.291 642 A C 0.777 178.358 177.584 -0.005 0.000 1.048 642 A CA -0.476 51.546 52.037 -0.025 0.000 0.661 642 A CB 0.627 19.593 19.000 -0.056 0.000 1.288 642 A HN 0.190 nan 8.150 nan 0.000 0.424 643 Q N 0.202 120.005 119.800 0.004 0.000 2.245 643 Q HA 0.072 4.412 4.340 -0.000 0.000 0.201 643 Q C 0.274 176.256 176.000 -0.029 0.000 0.955 643 Q CA 1.288 57.090 55.803 -0.001 0.000 0.870 643 Q CB 0.216 28.959 28.738 0.008 0.000 0.945 643 Q HN 0.546 nan 8.270 nan 0.000 0.461 644 K N -0.525 119.850 120.400 -0.041 0.000 2.572 644 K HA 0.396 4.715 4.320 -0.000 0.000 0.263 644 K C -1.936 174.617 176.600 -0.077 0.000 0.932 644 K CA -0.274 55.973 56.287 -0.067 0.000 0.838 644 K CB 2.158 34.628 32.500 -0.050 0.000 1.366 644 K HN -0.207 nan 8.250 nan 0.000 0.425 645 V N 2.969 122.813 119.914 -0.116 0.000 2.668 645 V HA 0.353 4.473 4.120 -0.000 0.000 0.304 645 V C -1.066 174.939 176.094 -0.148 0.000 1.071 645 V CA -0.787 61.441 62.300 -0.119 0.000 0.894 645 V CB 1.915 33.655 31.823 -0.138 0.000 1.008 645 V HN 0.770 nan 8.190 nan 0.000 0.425 646 E N 4.122 124.263 120.200 -0.099 0.000 2.183 646 E HA 0.736 5.086 4.350 -0.000 0.000 0.271 646 E C -1.096 175.482 176.600 -0.037 0.000 0.919 646 E CA -0.635 55.711 56.400 -0.091 0.000 0.781 646 E CB 3.128 32.799 29.700 -0.048 0.000 1.140 646 E HN 0.583 nan 8.360 nan 0.000 0.402 647 I N 1.563 122.132 120.570 -0.002 0.000 2.649 647 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 647 I C -0.125 176.140 176.117 0.248 0.000 1.222 647 I CA -0.416 60.953 61.300 0.115 0.000 1.046 647 I CB 1.420 39.492 38.000 0.119 0.000 1.272 647 I HN 0.668 nan 8.210 nan 0.000 0.425 648 G N 6.431 115.373 108.800 0.237 0.000 2.563 648 G HA2 0.483 4.443 3.960 -0.000 0.000 0.283 648 G HA3 0.483 4.443 3.960 -0.000 0.000 0.283 648 G C -2.738 172.364 174.900 0.337 0.000 1.309 648 G CA -1.052 44.207 45.100 0.264 0.000 1.022 648 G HN 0.408 nan 8.290 nan 0.000 0.501 649 P HA 0.267 nan 4.420 nan 0.000 0.271 649 P C -0.772 176.561 177.300 0.056 0.000 1.220 649 P CA 0.224 63.384 63.100 0.099 0.000 0.768 649 P CB 1.074 32.757 31.700 -0.027 0.000 0.848 650 I N 3.513 123.965 120.570 -0.197 0.000 2.406 650 I HA 0.150 4.320 4.170 -0.000 0.000 0.290 650 I C 1.386 177.367 176.117 -0.226 0.000 0.999 650 I CA -0.400 60.815 61.300 -0.142 0.000 1.124 650 I CB 2.095 39.997 38.000 -0.163 0.000 1.289 650 I HN 0.331 nan 8.210 nan 0.000 0.441 651 D N 5.669 126.020 120.400 -0.082 0.000 2.240 651 D HA 0.016 4.656 4.640 -0.000 0.000 0.206 651 D C 0.368 176.606 176.300 -0.104 0.000 0.963 651 D CA 0.680 54.621 54.000 -0.099 0.000 0.863 651 D CB 0.393 41.178 40.800 -0.024 0.000 0.973 651 D HN 0.390 nan 8.370 nan 0.000 0.501 652 R N -0.718 119.738 120.500 -0.075 0.000 2.643 652 R HA 0.634 4.974 4.340 -0.000 0.000 0.269 652 R C -1.112 175.088 176.300 -0.166 0.000 1.037 652 R CA -0.606 55.384 56.100 -0.183 0.000 0.894 652 R CB 2.283 32.454 30.300 -0.215 0.000 1.238 652 R HN -0.070 nan 8.270 nan 0.000 0.459 653 I N 2.435 122.830 120.570 -0.292 0.000 2.418 653 I HA 0.404 4.574 4.170 -0.000 0.000 0.287 653 I C -1.111 174.823 176.117 -0.305 0.000 1.008 653 I CA -0.567 60.635 61.300 -0.163 0.000 1.104 653 I CB 1.305 39.249 38.000 -0.093 0.000 1.264 653 I HN 0.382 nan 8.210 nan 0.000 0.438 654 F N 3.448 123.401 119.950 0.006 0.000 2.449 654 F HA 0.430 4.957 4.527 -0.000 0.000 0.342 654 F C 0.485 176.288 175.800 0.005 0.000 1.127 654 F CA -0.737 57.267 58.000 0.008 0.000 0.975 654 F CB 2.138 41.147 39.000 0.015 0.000 1.146 654 F HN 0.288 nan 8.300 nan 0.000 0.444 655 T N 1.081 115.724 114.554 0.150 0.000 2.934 655 T HA 0.375 4.725 4.350 -0.000 0.000 0.328 655 T C -0.605 174.141 174.700 0.078 0.000 1.068 655 T CA -0.958 61.199 62.100 0.094 0.000 1.018 655 T CB 0.637 69.535 68.868 0.051 0.000 1.009 655 T HN 0.545 nan 8.240 nan 0.000 0.471 656 R N 3.831 124.371 120.500 0.066 0.000 2.870 656 R HA 0.568 4.908 4.340 -0.000 0.000 0.254 656 R C -1.436 174.866 176.300 0.003 0.000 1.392 656 R CA -0.406 55.712 56.100 0.031 0.000 1.322 656 R CB -0.712 29.596 30.300 0.014 0.000 1.205 656 R HN 0.533 nan 8.270 nan 0.000 0.597 657 V N 2.893 122.812 119.914 0.010 0.000 2.612 657 V HA 0.891 5.011 4.120 -0.000 0.000 0.301 657 V C 0.170 176.265 176.094 0.002 0.000 1.059 657 V CA -0.082 62.219 62.300 0.002 0.000 0.886 657 V CB 1.536 33.368 31.823 0.015 0.000 1.007 657 V HN 0.858 nan 8.190 nan 0.000 0.426 670 F N 1.315 121.276 119.950 0.018 0.000 2.126 670 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 670 F C 2.320 178.137 175.800 0.030 0.000 1.096 670 F CA 1.619 59.636 58.000 0.028 0.000 1.255 670 F CB -0.402 38.619 39.000 0.035 0.000 0.997 670 F HN 0.509 nan 8.300 nan 0.000 0.479 671 M N -0.412 119.199 119.600 0.019 0.000 2.108 671 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 671 M C 2.201 178.437 176.300 -0.107 0.000 1.066 671 M CA 1.295 56.548 55.300 -0.079 0.000 1.107 671 M CB -1.107 31.504 32.600 0.019 0.000 1.356 671 M HN 0.080 nan 8.290 nan 0.000 0.406 672 V N -0.333 119.549 119.914 -0.054 0.000 2.379 672 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 672 V C 2.147 178.202 176.094 -0.065 0.000 1.044 672 V CA 1.390 63.665 62.300 -0.042 0.000 1.036 672 V CB -0.592 31.225 31.823 -0.010 0.000 0.664 672 V HN 0.459 nan 8.190 nan 0.000 0.453 673 E N -0.441 119.709 120.200 -0.084 0.000 2.118 673 E HA -0.235 4.114 4.350 -0.000 0.000 0.195 673 E C 2.216 178.725 176.600 -0.151 0.000 0.992 673 E CA 1.330 57.674 56.400 -0.094 0.000 0.804 673 E CB -0.130 29.530 29.700 -0.067 0.000 0.741 673 E HN 0.392 nan 8.360 nan 0.000 0.458 674 M N -0.163 119.271 119.600 -0.277 0.000 2.288 674 M HA -0.049 4.431 4.480 -0.000 0.000 0.266 674 M C 2.205 178.424 176.300 -0.135 0.000 1.072 674 M CA 1.160 56.291 55.300 -0.283 0.000 1.132 674 M CB -0.720 31.581 32.600 -0.500 0.000 1.386 674 M HN 0.016 nan 8.290 nan 0.000 0.432 675 T N 0.498 114.991 114.554 -0.102 0.000 2.812 675 T HA -0.098 4.252 4.350 -0.000 0.000 0.264 675 T C 1.745 176.438 174.700 -0.011 0.000 1.042 675 T CA 1.196 63.271 62.100 -0.041 0.000 1.140 675 T CB -0.023 68.826 68.868 -0.032 0.000 0.870 675 T HN 0.440 nan 8.240 nan 0.000 0.445 676 E N 0.444 120.634 120.200 -0.016 0.000 2.106 676 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 676 E C 2.385 178.990 176.600 0.008 0.000 0.984 676 E CA 1.138 57.547 56.400 0.015 0.000 0.806 676 E CB -0.141 29.569 29.700 0.016 0.000 0.750 676 E HN 0.343 nan 8.360 nan 0.000 0.458 677 T N 0.946 115.486 114.554 -0.024 0.000 2.746 677 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 677 T C 1.981 176.661 174.700 -0.033 0.000 1.039 677 T CA 1.181 63.261 62.100 -0.032 0.000 1.142 677 T CB -0.180 68.668 68.868 -0.035 0.000 0.866 677 T HN 0.238 nan 8.240 nan 0.000 0.444 678 A N 1.994 124.810 122.820 -0.006 0.000 1.902 678 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 678 A C 2.139 179.794 177.584 0.117 0.000 1.181 678 A CA 2.110 54.177 52.037 0.050 0.000 0.623 678 A CB -0.885 18.168 19.000 0.088 0.000 0.818 678 A HN 0.549 nan 8.150 nan 0.000 0.443 679 N N 0.074 118.824 118.700 0.084 0.000 2.166 679 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 679 N C 1.436 176.953 175.510 0.011 0.000 1.019 679 N CA 1.831 54.946 53.050 0.108 0.000 0.856 679 N CB -0.407 38.153 38.487 0.121 0.000 0.993 679 N HN 0.527 nan 8.380 nan 0.000 0.426 680 I N -0.016 120.461 120.570 -0.154 0.000 2.252 680 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 680 I C 1.794 177.657 176.117 -0.424 0.000 1.102 680 I CA 0.858 61.809 61.300 -0.583 0.000 1.385 680 I CB -0.211 37.506 38.000 -0.472 0.000 1.064 680 I HN 0.184 nan 8.210 nan 0.000 0.414 681 L N -0.517 120.570 121.223 -0.227 0.000 2.291 681 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 681 L C 2.444 179.181 176.870 -0.221 0.000 1.120 681 L CA 0.853 55.561 54.840 -0.220 0.000 0.799 681 L CB -0.738 41.195 42.059 -0.210 0.000 0.925 681 L HN 0.348 nan 8.230 nan 0.000 0.446 682 H N -0.295 118.726 119.070 -0.081 0.000 2.482 682 H HA 0.104 4.660 4.556 -0.000 0.000 0.286 682 H C 1.233 176.552 175.328 -0.014 0.000 1.017 682 H CA 0.848 56.875 56.048 -0.035 0.000 1.322 682 H CB 0.463 30.218 29.762 -0.012 0.000 1.426 682 H HN 0.392 nan 8.280 nan 0.000 0.546 683 N N -0.001 118.751 118.700 0.086 0.000 2.166 683 N HA 0.127 4.867 4.740 -0.000 0.000 0.213 683 N C 0.373 175.978 175.510 0.159 0.000 1.222 683 N CA 0.028 53.170 53.050 0.154 0.000 0.900 683 N CB 1.406 40.062 38.487 0.282 0.000 1.055 683 N HN 0.041 nan 8.380 nan 0.000 0.515 684 A N 1.249 124.032 122.820 -0.062 0.000 2.351 684 A HA 0.523 4.843 4.320 -0.000 0.000 0.257 684 A C 0.814 178.429 177.584 0.051 0.000 1.087 684 A CA 0.037 52.054 52.037 -0.033 0.000 0.798 684 A CB 0.366 19.184 19.000 -0.303 0.000 1.033 684 A HN 0.214 nan 8.150 nan 0.000 0.488 685 T N -2.063 112.558 114.554 0.112 0.000 2.773 685 T HA 0.446 4.796 4.350 -0.000 0.000 0.278 685 T C 0.777 175.495 174.700 0.030 0.000 1.011 685 T CA 0.146 62.296 62.100 0.084 0.000 1.014 685 T CB 1.070 70.035 68.868 0.163 0.000 1.293 685 T HN 0.752 nan 8.240 nan 0.000 0.554 686 E N -0.378 119.788 120.200 -0.057 0.000 2.472 686 E HA -0.129 4.221 4.350 -0.000 0.000 0.200 686 E C 0.182 176.595 176.600 -0.312 0.000 1.046 686 E CA 0.858 57.134 56.400 -0.206 0.000 0.871 686 E CB -0.362 29.159 29.700 -0.299 0.000 0.806 686 E HN 0.770 nan 8.360 nan 0.000 0.533 687 Y N 0.918 121.233 120.300 0.025 0.000 2.485 687 Y HA 0.296 4.846 4.550 -0.000 0.000 0.260 687 Y C 0.641 176.559 175.900 0.032 0.000 1.173 687 Y CA -0.298 57.813 58.100 0.019 0.000 1.252 687 Y CB 0.727 39.186 38.460 -0.002 0.000 1.123 687 Y HN -0.106 nan 8.280 nan 0.000 0.524 688 S N 1.081 116.886 115.700 0.174 0.000 2.585 688 S HA 0.396 4.866 4.470 -0.000 0.000 0.277 688 S C -0.816 173.878 174.600 0.158 0.000 1.241 688 S CA -0.564 57.758 58.200 0.202 0.000 1.041 688 S CB 1.148 64.540 63.200 0.321 0.000 0.987 688 S HN 0.178 nan 8.310 nan 0.000 0.512 689 L N 4.131 125.452 121.223 0.163 0.000 2.272 689 L HA 0.647 4.987 4.340 -0.000 0.000 0.289 689 L C -1.124 175.865 176.870 0.198 0.000 1.032 689 L CA -0.209 54.709 54.840 0.130 0.000 0.810 689 L CB 0.917 43.025 42.059 0.082 0.000 1.205 689 L HN 0.392 nan 8.230 nan 0.000 0.422 690 V N 6.599 126.605 119.914 0.154 0.000 2.495 690 V HA 0.514 4.634 4.120 -0.000 0.000 0.298 690 V C -0.324 175.836 176.094 0.110 0.000 1.031 690 V CA -0.539 61.855 62.300 0.156 0.000 0.871 690 V CB 1.774 33.645 31.823 0.080 0.000 0.988 690 V HN 0.620 nan 8.190 nan 0.000 0.432 691 L N 5.640 126.925 121.223 0.102 0.000 2.377 691 L HA 0.591 4.931 4.340 -0.000 0.000 0.270 691 L C -0.581 176.303 176.870 0.023 0.000 0.991 691 L CA -0.329 54.546 54.840 0.059 0.000 0.851 691 L CB 1.589 43.676 42.059 0.046 0.000 1.218 691 L HN 0.434 nan 8.230 nan 0.000 0.420 692 M N 2.074 121.654 119.600 -0.034 0.000 2.336 692 M HA 0.325 4.805 4.480 -0.000 0.000 0.342 692 M C -0.819 175.369 176.300 -0.187 0.000 1.128 692 M CA -0.374 54.836 55.300 -0.151 0.000 1.016 692 M CB 1.868 34.247 32.600 -0.368 0.000 1.665 692 M HN 0.350 nan 8.290 nan 0.000 0.445 693 D N 3.257 123.570 120.400 -0.145 0.000 2.458 693 D HA 0.230 4.870 4.640 -0.000 0.000 0.258 693 D C -0.529 175.698 176.300 -0.121 0.000 1.134 693 D CA 0.140 54.075 54.000 -0.109 0.000 0.915 693 D CB 0.318 41.084 40.800 -0.056 0.000 1.028 693 D HN 0.689 nan 8.370 nan 0.000 0.508 694 E N 1.997 122.107 120.200 -0.149 0.000 2.210 694 E HA -0.230 4.120 4.350 -0.000 0.000 0.201 694 E C 0.291 176.873 176.600 -0.030 0.000 1.339 694 E CA 0.273 56.626 56.400 -0.078 0.000 0.699 694 E CB -1.515 28.124 29.700 -0.101 0.000 1.126 694 E HN 0.652 nan 8.360 nan 0.000 0.355 695 I N -2.966 117.585 120.570 -0.031 0.000 2.836 695 I HA 0.384 4.554 4.170 -0.000 0.000 0.285 695 I C 1.599 177.922 176.117 0.343 0.000 1.174 695 I CA 0.518 61.882 61.300 0.107 0.000 1.405 695 I CB 0.865 38.902 38.000 0.061 0.000 1.385 695 I HN 0.255 nan 8.210 nan 0.000 0.594 696 G N 3.449 112.498 108.800 0.414 0.000 2.259 696 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 696 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 696 G C 0.452 175.598 174.900 0.411 0.000 1.001 696 G CA -0.315 45.119 45.100 0.557 0.000 0.627 696 G HN 0.741 nan 8.290 nan 0.000 0.501 697 R N 0.444 121.080 120.500 0.226 0.000 2.570 697 R HA 0.419 4.759 4.340 -0.000 0.000 0.277 697 R C 1.524 177.903 176.300 0.132 0.000 1.039 697 R CA 1.299 57.436 56.100 0.062 0.000 1.065 697 R CB 0.413 30.656 30.300 -0.094 0.000 0.964 697 R HN 1.393 nan 8.270 nan 0.000 0.428 698 G N 0.875 109.689 108.800 0.023 0.000 2.176 698 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 698 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 698 G C 0.239 174.931 174.900 -0.347 0.000 0.986 698 G CA 0.315 45.388 45.100 -0.044 0.000 0.643 698 G HN 0.684 nan 8.290 nan 0.000 0.522 699 T N -0.592 113.727 114.554 -0.391 0.000 2.669 699 T HA 0.689 5.039 4.350 -0.000 0.000 0.283 699 T C 0.850 175.463 174.700 -0.145 0.000 1.019 699 T CA 1.017 62.847 62.100 -0.450 0.000 1.039 699 T CB 1.060 69.401 68.868 -0.879 0.000 1.374 699 T HN 1.383 nan 8.240 nan 0.000 0.523 700 S N 0.361 115.999 115.700 -0.103 0.000 2.584 700 S HA 0.156 4.626 4.470 -0.000 0.000 0.270 700 S C 1.398 176.033 174.600 0.058 0.000 1.346 700 S CA 0.369 58.552 58.200 -0.029 0.000 1.018 700 S CB 0.337 63.515 63.200 -0.037 0.000 0.899 700 S HN 0.738 nan 8.310 nan 0.000 0.542 701 T N 1.581 116.167 114.554 0.053 0.000 2.665 701 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 701 T C 1.260 176.085 174.700 0.208 0.000 1.035 701 T CA 1.927 64.119 62.100 0.153 0.000 1.151 701 T CB -0.603 68.280 68.868 0.025 0.000 0.862 701 T HN 0.691 nan 8.240 nan 0.000 0.438 702 Y N 1.583 121.886 120.300 0.006 0.000 2.286 702 Y HA 0.013 4.563 4.550 -0.000 0.000 0.293 702 Y C 2.500 178.373 175.900 -0.046 0.000 1.124 702 Y CA -0.234 57.840 58.100 -0.044 0.000 1.178 702 Y CB -0.837 37.600 38.460 -0.039 0.000 1.010 702 Y HN 0.233 nan 8.280 nan 0.000 0.536 703 D N -0.615 119.878 120.400 0.155 0.000 2.097 703 D HA -0.135 4.505 4.640 -0.000 0.000 0.195 703 D C 2.408 178.784 176.300 0.126 0.000 0.989 703 D CA 1.539 55.603 54.000 0.106 0.000 0.827 703 D CB -0.575 40.270 40.800 0.075 0.000 0.966 703 D HN 0.398 nan 8.370 nan 0.000 0.456 704 G N 1.164 110.057 108.800 0.155 0.000 2.421 704 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 704 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 704 G C 1.621 176.558 174.900 0.062 0.000 1.171 704 G CA 0.537 45.800 45.100 0.272 0.000 0.775 704 G HN 0.242 nan 8.290 nan 0.000 0.543 705 L N 1.037 122.072 121.223 -0.313 0.000 2.141 705 L HA 0.094 4.433 4.340 -0.000 0.000 0.209 705 L C 2.731 179.501 176.870 -0.168 0.000 1.094 705 L CA 2.146 56.566 54.840 -0.700 0.000 0.763 705 L CB -0.514 41.163 42.059 -0.638 0.000 0.908 705 L HN 0.147 nan 8.230 nan 0.000 0.437 706 S N -0.549 115.116 115.700 -0.058 0.000 2.371 706 S HA -0.051 4.419 4.470 -0.000 0.000 0.224 706 S C 1.888 176.543 174.600 0.091 0.000 1.029 706 S CA 1.375 59.569 58.200 -0.010 0.000 0.978 706 S CB -0.336 62.842 63.200 -0.036 0.000 0.833 706 S HN 0.441 nan 8.310 nan 0.000 0.466 707 L N 1.248 122.548 121.223 0.127 0.000 2.027 707 L HA -0.106 4.234 4.340 -0.000 0.000 0.206 707 L C 2.802 179.807 176.870 0.224 0.000 1.074 707 L CA 1.261 56.204 54.840 0.172 0.000 0.745 707 L CB -0.693 41.495 42.059 0.215 0.000 0.898 707 L HN 0.305 nan 8.230 nan 0.000 0.433 708 A N -0.487 122.502 122.820 0.281 0.000 1.865 708 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 708 A C 2.181 179.935 177.584 0.283 0.000 1.191 708 A CA 1.601 53.901 52.037 0.438 0.000 0.623 708 A CB -1.201 18.128 19.000 0.548 0.000 0.826 708 A HN 0.659 nan 8.150 nan 0.000 0.444 709 W N 0.639 121.940 121.300 0.002 0.000 2.321 709 W HA -0.205 4.455 4.660 -0.000 0.000 0.306 709 W C 2.332 178.789 176.519 -0.102 0.000 1.217 709 W CA 2.346 59.636 57.345 -0.092 0.000 1.257 709 W CB -0.391 29.003 29.460 -0.111 0.000 1.145 709 W HN 0.427 nan 8.180 nan 0.000 0.509 710 A N -0.861 122.109 122.820 0.250 0.000 2.016 710 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 710 A C 2.106 179.714 177.584 0.040 0.000 1.162 710 A CA 1.486 53.612 52.037 0.149 0.000 0.662 710 A CB -1.198 17.868 19.000 0.110 0.000 0.812 710 A HN 0.299 nan 8.150 nan 0.000 0.450 711 C N -1.074 118.258 119.300 0.054 0.000 2.489 711 C HA 0.143 4.603 4.460 -0.000 0.000 0.279 711 C C 3.285 178.200 174.990 -0.125 0.000 1.266 711 C CA 0.639 59.682 59.018 0.042 0.000 1.707 711 C CB -1.226 26.650 27.740 0.227 0.000 2.059 711 C HN 0.704 nan 8.230 nan 0.000 0.481 712 A N 0.794 123.351 122.820 -0.439 0.000 1.903 712 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 712 A C 2.121 179.433 177.584 -0.453 0.000 1.191 712 A CA 2.373 53.895 52.037 -0.858 0.000 0.638 712 A CB -0.836 17.410 19.000 -1.257 0.000 0.823 712 A HN 0.778 nan 8.150 nan 0.000 0.451 713 E N -0.512 119.487 120.200 -0.335 0.000 2.106 713 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 713 E C 1.910 178.431 176.600 -0.133 0.000 0.984 713 E CA 1.334 57.605 56.400 -0.215 0.000 0.806 713 E CB -0.273 29.360 29.700 -0.111 0.000 0.750 713 E HN 0.655 nan 8.360 nan 0.000 0.458 714 N N 0.245 118.882 118.700 -0.104 0.000 2.080 714 N HA -0.134 4.606 4.740 -0.000 0.000 0.189 714 N C 1.993 177.448 175.510 -0.092 0.000 1.036 714 N CA 1.343 54.344 53.050 -0.081 0.000 0.846 714 N CB -0.167 38.280 38.487 -0.067 0.000 1.015 714 N HN 0.154 nan 8.380 nan 0.000 0.423 715 L N -0.238 120.925 121.223 -0.101 0.000 2.089 715 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 715 L C 2.304 179.117 176.870 -0.096 0.000 1.079 715 L CA 1.549 56.335 54.840 -0.090 0.000 0.758 715 L CB -0.474 41.545 42.059 -0.066 0.000 0.891 715 L HN 0.305 nan 8.230 nan 0.000 0.433 716 A N -0.456 122.289 122.820 -0.126 0.000 1.903 716 A HA -0.096 4.224 4.320 -0.000 0.000 0.213 716 A C 1.914 179.443 177.584 -0.093 0.000 1.185 716 A CA 1.538 53.504 52.037 -0.118 0.000 0.628 716 A CB -0.365 18.539 19.000 -0.160 0.000 0.830 716 A HN 0.522 nan 8.150 nan 0.000 0.446 717 N N -1.569 117.078 118.700 -0.088 0.000 2.454 717 N HA 0.021 4.761 4.740 -0.000 0.000 0.177 717 N C 1.762 177.237 175.510 -0.057 0.000 1.049 717 N CA 0.409 53.419 53.050 -0.067 0.000 0.887 717 N CB 0.219 38.671 38.487 -0.059 0.000 1.095 717 N HN 0.254 nan 8.380 nan 0.000 0.446 718 K N 1.833 122.198 120.400 -0.059 0.000 2.102 718 K HA 0.138 4.458 4.320 -0.000 0.000 0.208 718 K C 1.809 178.377 176.600 -0.053 0.000 1.027 718 K CA 0.563 56.819 56.287 -0.051 0.000 0.958 718 K CB -0.062 32.407 32.500 -0.051 0.000 0.819 718 K HN 0.010 nan 8.250 nan 0.000 0.453 719 I N 1.505 122.039 120.570 -0.061 0.000 2.315 719 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 719 I C 0.647 176.726 176.117 -0.065 0.000 1.117 719 I CA 0.970 62.234 61.300 -0.059 0.000 1.404 719 I CB -0.127 37.832 38.000 -0.068 0.000 1.071 719 I HN 0.268 nan 8.210 nan 0.000 0.419 720 K N 0.147 120.505 120.400 -0.070 0.000 3.130 720 K HA -0.202 4.117 4.320 -0.000 0.000 0.282 720 K C 0.410 176.967 176.600 -0.072 0.000 1.145 720 K CA 0.268 56.509 56.287 -0.076 0.000 0.831 720 K CB -1.891 30.557 32.500 -0.087 0.000 1.226 720 K HN 0.453 nan 8.250 nan 0.000 0.478 721 A N 0.852 123.640 122.820 -0.053 0.000 2.448 721 A HA 0.311 4.631 4.320 -0.000 0.000 0.239 721 A C 0.546 178.123 177.584 -0.011 0.000 1.080 721 A CA -0.186 51.836 52.037 -0.025 0.000 0.779 721 A CB 0.292 19.291 19.000 -0.002 0.000 1.026 721 A HN 0.303 nan 8.150 nan 0.000 0.499 722 L N 1.709 122.940 121.223 0.013 0.000 2.369 722 L HA 0.287 4.627 4.340 -0.000 0.000 0.279 722 L C -0.078 176.819 176.870 0.045 0.000 1.108 722 L CA 0.204 55.058 54.840 0.024 0.000 0.852 722 L CB 0.333 42.412 42.059 0.034 0.000 1.169 722 L HN 0.688 nan 8.230 nan 0.000 0.452 723 T N 4.782 119.365 114.554 0.047 0.000 2.881 723 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 723 T C -0.225 174.538 174.700 0.105 0.000 1.000 723 T CA -0.487 61.661 62.100 0.081 0.000 0.978 723 T CB 1.591 70.513 68.868 0.090 0.000 0.997 723 T HN 0.294 nan 8.240 nan 0.000 0.443 724 L N 3.583 124.874 121.223 0.114 0.000 2.264 724 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 724 L C -0.775 176.203 176.870 0.181 0.000 1.039 724 L CA -0.706 54.218 54.840 0.140 0.000 0.829 724 L CB 0.521 42.637 42.059 0.095 0.000 1.211 724 L HN 0.615 nan 8.230 nan 0.000 0.427 725 F N 3.641 123.620 119.950 0.049 0.000 2.291 725 F HA 0.531 5.058 4.527 -0.000 0.000 0.368 725 F C 0.729 176.572 175.800 0.072 0.000 1.085 725 F CA -0.667 57.361 58.000 0.047 0.000 1.165 725 F CB 0.690 39.699 39.000 0.016 0.000 1.429 725 F HN 0.495 nan 8.300 nan 0.000 0.503 726 A N 3.827 126.625 122.820 -0.038 0.000 2.440 726 A HA 0.569 4.889 4.320 -0.000 0.000 0.251 726 A C 0.113 177.682 177.584 -0.026 0.000 1.089 726 A CA 0.100 52.148 52.037 0.018 0.000 0.779 726 A CB 0.563 19.564 19.000 0.002 0.000 1.022 726 A HN 0.631 nan 8.150 nan 0.000 0.492 727 T N -0.275 114.346 114.554 0.112 0.000 2.889 727 T HA 0.453 4.803 4.350 -0.000 0.000 0.315 727 T C 0.576 175.390 174.700 0.190 0.000 1.291 727 T CA -0.264 61.940 62.100 0.173 0.000 1.028 727 T CB 0.748 69.802 68.868 0.309 0.000 1.235 727 T HN 0.858 nan 8.240 nan 0.000 0.491 728 H N 1.892 120.905 119.070 -0.095 0.000 2.544 728 H HA 0.171 4.727 4.556 -0.000 0.000 0.269 728 H C -0.363 174.959 175.328 -0.010 0.000 0.970 728 H CA 0.055 56.049 56.048 -0.091 0.000 1.219 728 H CB -0.528 29.118 29.762 -0.193 0.000 1.421 728 H HN 0.464 nan 8.280 nan 0.000 0.555 729 Y N 1.184 121.367 120.300 -0.194 0.000 2.531 729 Y HA 0.049 4.598 4.550 -0.000 0.000 0.347 729 Y C 1.068 177.023 175.900 0.093 0.000 1.024 729 Y CA -0.746 57.281 58.100 -0.121 0.000 1.306 729 Y CB -0.100 38.307 38.460 -0.087 0.000 1.149 729 Y HN 0.012 nan 8.280 nan 0.000 0.527 730 F N 1.997 122.033 119.950 0.144 0.000 2.333 730 F HA -0.145 4.381 4.527 -0.000 0.000 0.300 730 F C 1.552 177.432 175.800 0.133 0.000 1.083 730 F CA 1.339 59.407 58.000 0.114 0.000 1.395 730 F CB 0.059 39.105 39.000 0.078 0.000 1.056 730 F HN 0.493 nan 8.300 nan 0.000 0.529 731 E N 0.111 120.406 120.200 0.157 0.000 2.204 731 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 731 E C 2.213 178.880 176.600 0.111 0.000 0.989 731 E CA 0.741 57.211 56.400 0.117 0.000 0.824 731 E CB -0.328 29.482 29.700 0.183 0.000 0.756 731 E HN 0.401 nan 8.360 nan 0.000 0.477 732 L N 0.831 122.095 121.223 0.068 0.000 2.465 732 L HA -0.063 4.277 4.340 -0.000 0.000 0.224 732 L C 1.851 178.577 176.870 -0.239 0.000 1.145 732 L CA 1.410 56.190 54.840 -0.100 0.000 0.834 732 L CB -0.633 41.447 42.059 0.035 0.000 0.944 732 L HN 0.340 nan 8.230 nan 0.000 0.451 733 T N -4.807 109.586 114.554 -0.269 0.000 3.148 733 T HA -0.065 4.285 4.350 -0.000 0.000 0.253 733 T C 1.559 176.088 174.700 -0.286 0.000 1.134 733 T CA 0.139 62.054 62.100 -0.307 0.000 1.051 733 T CB 0.055 68.643 68.868 -0.468 0.000 0.959 733 T HN 0.166 nan 8.240 nan 0.000 0.525 734 Q N 0.462 120.116 119.800 -0.243 0.000 2.432 734 Q HA 0.306 4.646 4.340 -0.000 0.000 0.205 734 Q C 2.134 178.037 176.000 -0.162 0.000 0.945 734 Q CA 0.223 55.950 55.803 -0.126 0.000 0.924 734 Q CB -0.381 28.377 28.738 0.034 0.000 1.016 734 Q HN 0.538 nan 8.270 nan 0.000 0.503 735 L N 0.867 121.882 121.223 -0.346 0.000 2.012 735 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 735 L C -0.555 176.177 176.870 -0.231 0.000 1.073 735 L CA 1.461 56.048 54.840 -0.421 0.000 0.748 735 L CB -1.739 39.960 42.059 -0.599 0.000 0.891 735 L HN 0.125 nan 8.230 nan 0.000 0.431 736 P HA -0.201 nan 4.420 nan 0.000 0.217 736 P C 1.004 178.259 177.300 -0.076 0.000 1.148 736 P CA 1.422 64.457 63.100 -0.109 0.000 0.834 736 P CB 0.038 31.690 31.700 -0.080 0.000 0.783 737 E N -1.221 118.938 120.200 -0.067 0.000 2.435 737 E HA -0.012 4.338 4.350 -0.000 0.000 0.195 737 E C 1.617 178.203 176.600 -0.023 0.000 1.029 737 E CA 0.612 56.990 56.400 -0.036 0.000 0.865 737 E CB -0.147 29.540 29.700 -0.023 0.000 0.833 737 E HN 0.274 nan 8.360 nan 0.000 0.510 738 K N -0.092 120.290 120.400 -0.031 0.000 2.352 738 K HA 0.235 4.554 4.320 -0.000 0.000 0.194 738 K C 0.521 177.106 176.600 -0.025 0.000 1.038 738 K CA 0.289 56.575 56.287 -0.002 0.000 1.023 738 K CB 0.515 33.051 32.500 0.059 0.000 0.840 738 K HN 0.117 nan 8.250 nan 0.000 0.519 739 M N -0.751 118.813 119.600 -0.060 0.000 2.465 739 M HA 0.349 4.829 4.480 -0.000 0.000 0.284 739 M C -1.389 174.870 176.300 -0.069 0.000 1.212 739 M CA -0.767 54.495 55.300 -0.065 0.000 0.910 739 M CB 2.507 35.056 32.600 -0.084 0.000 1.725 739 M HN -0.297 nan 8.290 nan 0.000 0.477 740 E N 1.232 121.400 120.200 -0.055 0.000 2.390 740 E HA 0.405 4.755 4.350 -0.000 0.000 0.261 740 E C 0.867 177.433 176.600 -0.057 0.000 1.076 740 E CA 1.655 58.026 56.400 -0.048 0.000 0.905 740 E CB 1.092 30.770 29.700 -0.036 0.000 0.984 740 E HN 1.041 nan 8.360 nan 0.000 0.427 741 G N 2.205 110.976 108.800 -0.047 0.000 2.159 741 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.256 741 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.256 741 G C -0.060 174.807 174.900 -0.054 0.000 0.977 741 G CA 0.373 45.445 45.100 -0.046 0.000 0.652 741 G HN 0.410 nan 8.290 nan 0.000 0.531 742 V N 0.045 119.918 119.914 -0.069 0.000 2.715 742 V HA 0.951 5.070 4.120 -0.000 0.000 0.310 742 V C 0.397 176.456 176.094 -0.058 0.000 1.054 742 V CA -0.149 62.103 62.300 -0.081 0.000 0.928 742 V CB 1.733 33.472 31.823 -0.139 0.000 1.007 742 V HN 1.501 nan 8.190 nan 0.000 0.437 743 A N 2.919 125.717 122.820 -0.038 0.000 2.572 743 A HA 0.743 5.063 4.320 -0.000 0.000 0.295 743 A C -1.097 176.490 177.584 0.006 0.000 1.072 743 A CA -0.779 51.250 52.037 -0.014 0.000 0.691 743 A CB 1.582 20.586 19.000 0.006 0.000 1.291 743 A HN 0.668 nan 8.150 nan 0.000 0.404 744 N N 0.608 119.319 118.700 0.019 0.000 2.434 744 N HA 0.528 5.268 4.740 -0.000 0.000 0.272 744 N C -0.146 175.420 175.510 0.094 0.000 1.040 744 N CA 0.008 53.090 53.050 0.053 0.000 0.956 744 N CB 1.711 40.224 38.487 0.044 0.000 1.108 744 N HN 0.865 nan 8.380 nan 0.000 0.481 745 V N -0.188 119.794 119.914 0.113 0.000 3.158 745 V HA 0.749 4.869 4.120 -0.000 0.000 0.315 745 V C -0.470 175.731 176.094 0.180 0.000 1.148 745 V CA -0.675 61.688 62.300 0.106 0.000 1.042 745 V CB 2.509 34.350 31.823 0.032 0.000 1.101 745 V HN 0.885 nan 8.190 nan 0.000 0.448 746 H N 0.011 119.091 119.070 0.017 0.000 3.003 746 H HA 0.603 5.159 4.556 -0.000 0.000 0.327 746 H C -2.305 173.024 175.328 0.001 0.000 1.353 746 H CA -1.020 55.050 56.048 0.038 0.000 1.142 746 H CB 1.544 31.360 29.762 0.089 0.000 1.864 746 H HN 0.733 nan 8.280 nan 0.000 0.529 747 L N 2.087 123.374 121.223 0.107 0.000 2.325 747 L HA 0.337 4.677 4.340 -0.000 0.000 0.278 747 L C 0.003 177.018 176.870 0.241 0.000 1.023 747 L CA -0.620 54.247 54.840 0.046 0.000 0.811 747 L CB 1.571 43.656 42.059 0.043 0.000 1.249 747 L HN 0.724 nan 8.230 nan 0.000 0.431 748 D N 1.574 122.065 120.400 0.152 0.000 2.654 748 D HA 0.851 5.490 4.640 -0.000 0.000 0.255 748 D C -1.108 175.186 176.300 -0.010 0.000 1.101 748 D CA -0.816 53.295 54.000 0.185 0.000 1.116 748 D CB 1.987 42.932 40.800 0.243 0.000 1.348 748 D HN 0.614 nan 8.370 nan 0.000 0.609 749 A N -0.720 122.030 122.820 -0.116 0.000 2.574 749 A HA 0.566 4.886 4.320 -0.000 0.000 0.297 749 A C -1.954 175.519 177.584 -0.184 0.000 1.062 749 A CA -0.721 51.104 52.037 -0.354 0.000 0.686 749 A CB 1.263 19.635 19.000 -1.047 0.000 1.285 749 A HN 0.447 nan 8.150 nan 0.000 0.403 750 L N 1.113 122.236 121.223 -0.166 0.000 2.296 750 L HA 0.518 4.858 4.340 -0.000 0.000 0.286 750 L C -0.137 176.719 176.870 -0.023 0.000 1.023 750 L CA 0.110 54.922 54.840 -0.046 0.000 0.812 750 L CB 1.533 43.581 42.059 -0.017 0.000 1.223 750 L HN 0.760 nan 8.230 nan 0.000 0.421 751 E N 3.486 123.690 120.200 0.008 0.000 2.130 751 E HA 0.393 4.743 4.350 -0.000 0.000 0.284 751 E C -1.237 175.398 176.600 0.058 0.000 1.018 751 E CA -0.244 56.147 56.400 -0.014 0.000 0.817 751 E CB 0.636 30.334 29.700 -0.004 0.000 1.078 751 E HN 0.666 nan 8.360 nan 0.000 0.396 752 H N 0.873 119.911 119.070 -0.053 0.000 2.949 752 H HA 0.672 5.228 4.556 -0.000 0.000 0.356 752 H C 0.882 176.193 175.328 -0.029 0.000 1.212 752 H CA -0.552 55.474 56.048 -0.038 0.000 1.136 752 H CB 0.865 30.603 29.762 -0.041 0.000 1.869 752 H HN 0.515 nan 8.280 nan 0.000 0.556 753 G N 0.828 109.646 108.800 0.029 0.000 2.698 753 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.337 753 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.337 753 G C 0.030 174.880 174.900 -0.084 0.000 1.286 753 G CA 1.223 46.309 45.100 -0.022 0.000 1.000 753 G HN 0.806 nan 8.290 nan 0.000 0.547 754 D N 1.310 121.642 120.400 -0.114 0.000 2.501 754 D HA 0.421 5.061 4.640 -0.000 0.000 0.226 754 D C 0.982 177.197 176.300 -0.141 0.000 1.198 754 D CA 0.834 54.775 54.000 -0.098 0.000 0.830 754 D CB 0.447 41.215 40.800 -0.053 0.000 1.014 754 D HN 0.614 nan 8.370 nan 0.000 0.496 755 T N -0.707 113.683 114.554 -0.275 0.000 2.676 755 T HA 0.660 5.010 4.350 -0.000 0.000 0.269 755 T C -0.435 174.068 174.700 -0.329 0.000 0.952 755 T CA -0.945 60.988 62.100 -0.279 0.000 1.040 755 T CB 1.687 70.383 68.868 -0.286 0.000 1.352 755 T HN 0.053 nan 8.240 nan 0.000 0.554 756 I N -0.151 120.257 120.570 -0.270 0.000 2.586 756 I HA 0.687 4.857 4.170 -0.000 0.000 0.288 756 I C -1.174 174.774 176.117 -0.282 0.000 1.147 756 I CA -1.106 60.008 61.300 -0.310 0.000 1.047 756 I CB 1.137 38.923 38.000 -0.356 0.000 1.244 756 I HN 0.849 nan 8.210 nan 0.000 0.429 757 A N 6.932 129.657 122.820 -0.158 0.000 2.350 757 A HA 0.492 4.812 4.320 -0.000 0.000 0.293 757 A C -0.812 176.596 177.584 -0.293 0.000 1.231 757 A CA -0.143 51.843 52.037 -0.086 0.000 0.883 757 A CB -0.383 18.639 19.000 0.037 0.000 1.133 757 A HN 0.623 nan 8.150 nan 0.000 0.533 758 F N 4.126 124.031 119.950 -0.074 0.000 2.494 758 F HA 0.147 4.674 4.527 -0.000 0.000 0.351 758 F C 0.729 176.495 175.800 -0.057 0.000 1.205 758 F CA -0.242 57.709 58.000 -0.080 0.000 1.125 758 F CB 0.227 39.208 39.000 -0.031 0.000 1.268 758 F HN 0.425 nan 8.300 nan 0.000 0.593 759 M N 3.062 122.663 119.600 0.001 0.000 2.252 759 M HA -0.011 4.469 4.480 -0.000 0.000 0.333 759 M C 0.861 177.233 176.300 0.121 0.000 1.111 759 M CA 0.583 55.855 55.300 -0.046 0.000 1.140 759 M CB -0.141 32.424 32.600 -0.058 0.000 1.538 759 M HN 0.570 nan 8.290 nan 0.000 0.448 760 H N -0.964 118.045 119.070 -0.101 0.000 2.469 760 H HA 0.254 4.809 4.556 -0.000 0.000 0.286 760 H C 0.005 175.226 175.328 -0.179 0.000 1.106 760 H CA -0.380 55.583 56.048 -0.142 0.000 1.055 760 H CB 0.700 30.333 29.762 -0.215 0.000 1.618 760 H HN 0.568 nan 8.280 nan 0.000 0.559 761 S N 1.767 117.436 115.700 -0.053 0.000 2.452 761 S HA 0.214 4.684 4.470 -0.000 0.000 0.284 761 S C 0.119 174.602 174.600 -0.195 0.000 1.171 761 S CA -0.658 57.471 58.200 -0.117 0.000 1.064 761 S CB 0.521 63.661 63.200 -0.099 0.000 0.967 761 S HN 0.102 nan 8.310 nan 0.000 0.484 762 V N 7.122 126.874 119.914 -0.271 0.000 2.432 762 V HA 0.331 4.451 4.120 -0.000 0.000 0.271 762 V C 0.174 176.095 176.094 -0.288 0.000 1.046 762 V CA -0.336 61.742 62.300 -0.370 0.000 0.945 762 V CB 1.031 32.473 31.823 -0.635 0.000 0.992 762 V HN 0.791 nan 8.190 nan 0.000 0.471 763 Q N 2.683 122.252 119.800 -0.384 0.000 2.301 763 Q HA 0.463 4.803 4.340 -0.000 0.000 0.267 763 Q C -0.972 174.907 176.000 -0.200 0.000 1.035 763 Q CA -0.957 54.656 55.803 -0.318 0.000 0.856 763 Q CB 2.131 30.610 28.738 -0.431 0.000 1.337 763 Q HN 0.588 nan 8.270 nan 0.000 0.450 764 D N 0.605 120.978 120.400 -0.045 0.000 2.400 764 D HA 0.311 4.951 4.640 -0.000 0.000 0.238 764 D C 0.676 177.082 176.300 0.176 0.000 1.157 764 D CA 1.341 55.372 54.000 0.052 0.000 0.889 764 D CB 0.744 41.571 40.800 0.045 0.000 1.199 764 D HN 0.753 nan 8.370 nan 0.000 0.436 765 G N -0.084 108.822 108.800 0.176 0.000 2.746 765 G HA2 0.170 4.130 3.960 -0.000 0.000 0.685 765 G HA3 0.170 4.130 3.960 -0.000 0.000 0.685 765 G C -0.264 174.794 174.900 0.264 0.000 1.350 765 G CA -0.375 44.838 45.100 0.188 0.000 0.837 765 G HN 0.695 nan 8.290 nan 0.000 0.564 766 A N 0.212 123.113 122.820 0.136 0.000 2.366 766 A HA 0.893 5.213 4.320 -0.000 0.000 0.249 766 A C 1.161 178.683 177.584 -0.104 0.000 1.084 766 A CA 1.108 53.222 52.037 0.128 0.000 0.794 766 A CB 0.380 19.495 19.000 0.191 0.000 1.034 766 A HN 2.611 nan 8.150 nan 0.000 0.491 767 A N 0.657 123.436 122.820 -0.068 0.000 2.425 767 A HA 0.475 4.795 4.320 -0.000 0.000 0.249 767 A C 1.054 178.557 177.584 -0.137 0.000 1.084 767 A CA 0.344 52.223 52.037 -0.264 0.000 0.781 767 A CB -0.074 18.954 19.000 0.048 0.000 1.019 767 A HN 1.855 nan 8.150 nan 0.000 0.490 768 S N 0.808 116.381 115.700 -0.212 0.000 2.663 768 S HA 0.362 4.832 4.470 -0.000 0.000 0.243 768 S C 0.094 174.554 174.600 -0.233 0.000 1.009 768 S CA -0.333 57.726 58.200 -0.234 0.000 0.988 768 S CB -0.127 62.980 63.200 -0.155 0.000 0.896 768 S HN 0.652 nan 8.310 nan 0.000 0.502 769 K N 1.189 121.472 120.400 -0.195 0.000 2.508 769 K HA 0.596 4.916 4.320 -0.000 0.000 0.260 769 K C -1.007 175.394 176.600 -0.331 0.000 0.949 769 K CA -0.504 55.601 56.287 -0.304 0.000 0.834 769 K CB 2.328 34.605 32.500 -0.372 0.000 1.365 769 K HN 0.295 nan 8.250 nan 0.000 0.437 770 S N 0.063 115.495 115.700 -0.447 0.000 2.689 770 S HA 0.509 4.979 4.470 -0.000 0.000 0.306 770 S C -0.427 173.813 174.600 -0.600 0.000 1.104 770 S CA -0.497 57.522 58.200 -0.302 0.000 0.973 770 S CB 0.684 63.818 63.200 -0.110 0.000 1.121 770 S HN 0.697 nan 8.310 nan 0.000 0.523 771 Y N -0.851 119.502 120.300 0.089 0.000 2.728 771 Y HA 0.367 4.917 4.550 -0.000 0.000 0.256 771 Y C 2.036 178.005 175.900 0.115 0.000 1.112 771 Y CA -0.385 57.787 58.100 0.121 0.000 1.240 771 Y CB 0.135 38.747 38.460 0.253 0.000 1.337 771 Y HN 0.819 nan 8.280 nan 0.000 0.559 772 G N 0.869 109.769 108.800 0.167 0.000 2.418 772 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 772 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 772 G C 1.511 176.463 174.900 0.086 0.000 1.158 772 G CA 1.035 46.204 45.100 0.115 0.000 0.771 772 G HN 0.303 nan 8.290 nan 0.000 0.545 773 L N 0.549 121.803 121.223 0.053 0.000 2.056 773 L HA -0.007 4.333 4.340 -0.000 0.000 0.207 773 L C 3.401 180.300 176.870 0.048 0.000 1.078 773 L CA 1.002 55.861 54.840 0.032 0.000 0.749 773 L CB -0.619 41.441 42.059 0.001 0.000 0.901 773 L HN 0.313 nan 8.230 nan 0.000 0.433 774 A N -0.008 122.855 122.820 0.072 0.000 1.933 774 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 774 A C 2.339 179.986 177.584 0.105 0.000 1.175 774 A CA 1.678 53.768 52.037 0.088 0.000 0.628 774 A CB -0.724 18.357 19.000 0.135 0.000 0.814 774 A HN 0.210 nan 8.150 nan 0.000 0.444 775 V N -0.324 119.680 119.914 0.150 0.000 2.453 775 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 775 V C 3.008 179.148 176.094 0.078 0.000 1.048 775 V CA 1.690 64.073 62.300 0.137 0.000 1.049 775 V CB -1.095 30.827 31.823 0.165 0.000 0.672 775 V HN 0.605 nan 8.190 nan 0.000 0.457 776 A N 0.065 122.922 122.820 0.063 0.000 1.933 776 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 776 A C 2.407 180.009 177.584 0.029 0.000 1.175 776 A CA 2.002 54.062 52.037 0.038 0.000 0.628 776 A CB -0.631 18.388 19.000 0.030 0.000 0.814 776 A HN 0.549 nan 8.150 nan 0.000 0.444 777 A N -0.105 122.733 122.820 0.031 0.000 1.873 777 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 777 A C 2.115 179.709 177.584 0.017 0.000 1.186 777 A CA 1.374 53.422 52.037 0.019 0.000 0.616 777 A CB -0.588 18.422 19.000 0.016 0.000 0.823 777 A HN 0.447 nan 8.150 nan 0.000 0.442 778 L N -0.793 120.444 121.223 0.024 0.000 2.079 778 L HA -0.207 4.132 4.340 -0.000 0.000 0.210 778 L C 2.896 179.777 176.870 0.018 0.000 1.081 778 L CA 1.283 56.134 54.840 0.018 0.000 0.752 778 L CB -0.689 41.386 42.059 0.028 0.000 0.896 778 L HN 0.477 nan 8.230 nan 0.000 0.433 779 A N -0.627 122.208 122.820 0.024 0.000 2.167 779 A HA 0.203 4.522 4.320 -0.000 0.000 0.214 779 A C 1.749 179.341 177.584 0.013 0.000 1.151 779 A CA 1.022 53.071 52.037 0.019 0.000 0.735 779 A CB -0.287 18.727 19.000 0.022 0.000 0.802 779 A HN 0.566 nan 8.150 nan 0.000 0.467 780 G N -1.811 106.996 108.800 0.011 0.000 2.148 780 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.203 780 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.203 780 G C 0.114 175.018 174.900 0.007 0.000 0.993 780 G CA -0.092 45.013 45.100 0.008 0.000 0.661 780 G HN 0.736 nan 8.290 nan 0.000 0.518 781 V N 2.021 121.940 119.914 0.009 0.000 2.540 781 V HA 0.242 4.362 4.120 -0.000 0.000 0.297 781 V C -1.012 175.085 176.094 0.005 0.000 1.024 781 V CA -0.453 61.852 62.300 0.007 0.000 1.105 781 V CB 0.682 32.511 31.823 0.009 0.000 0.938 781 V HN 0.213 nan 8.190 nan 0.000 0.482 782 P HA 0.053 nan 4.420 nan 0.000 0.265 782 P C 0.812 178.113 177.300 0.001 0.000 1.187 782 P CA -0.007 63.094 63.100 0.002 0.000 0.766 782 P CB 0.446 32.147 31.700 0.001 0.000 0.820 783 K N 2.508 122.908 120.400 0.000 0.000 2.160 783 K HA -0.230 4.090 4.320 -0.000 0.000 0.206 783 K C 1.741 178.340 176.600 -0.002 0.000 1.047 783 K CA 1.654 57.941 56.287 -0.001 0.000 0.930 783 K CB -0.019 32.480 32.500 -0.002 0.000 0.720 783 K HN 0.658 nan 8.250 nan 0.000 0.450 784 E N 0.966 121.165 120.200 -0.002 0.000 2.152 784 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 784 E C 1.860 178.459 176.600 -0.002 0.000 0.983 784 E CA 0.990 57.388 56.400 -0.002 0.000 0.818 784 E CB -0.044 29.655 29.700 -0.002 0.000 0.758 784 E HN 0.011 nan 8.360 nan 0.000 0.467 785 V N 1.358 121.271 119.914 -0.001 0.000 2.358 785 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 785 V C 2.476 178.570 176.094 -0.001 0.000 1.047 785 V CA 1.550 63.849 62.300 -0.001 0.000 1.035 785 V CB -0.406 31.418 31.823 0.001 0.000 0.658 785 V HN 0.225 nan 8.190 nan 0.000 0.452 786 I N 0.015 120.585 120.570 -0.000 0.000 2.252 786 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 786 I C 2.511 178.625 176.117 -0.005 0.000 1.102 786 I CA 1.705 63.005 61.300 -0.001 0.000 1.385 786 I CB -0.423 37.577 38.000 0.001 0.000 1.064 786 I HN 0.242 nan 8.210 nan 0.000 0.414 787 K N 0.922 121.319 120.400 -0.005 0.000 2.032 787 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 787 K C 2.365 178.960 176.600 -0.007 0.000 1.048 787 K CA 1.689 57.972 56.287 -0.007 0.000 0.927 787 K CB -0.047 32.449 32.500 -0.006 0.000 0.712 787 K HN 0.014 nan 8.250 nan 0.000 0.441 788 R N 0.098 120.594 120.500 -0.006 0.000 2.092 788 R HA -0.004 4.336 4.340 -0.000 0.000 0.231 788 R C 2.097 178.394 176.300 -0.006 0.000 1.119 788 R CA 1.435 57.531 56.100 -0.005 0.000 0.970 788 R CB -0.385 29.912 30.300 -0.004 0.000 0.864 788 R HN 0.368 nan 8.270 nan 0.000 0.440 789 A N 0.125 122.942 122.820 -0.005 0.000 1.902 789 A HA -0.164 4.155 4.320 -0.000 0.000 0.217 789 A C 2.102 179.681 177.584 -0.009 0.000 1.181 789 A CA 1.604 53.638 52.037 -0.005 0.000 0.623 789 A CB -0.429 18.570 19.000 -0.002 0.000 0.818 789 A HN 0.214 nan 8.150 nan 0.000 0.443 790 R N -0.066 120.427 120.500 -0.012 0.000 2.096 790 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 790 R C 2.270 178.559 176.300 -0.018 0.000 1.127 790 R CA 2.033 58.122 56.100 -0.019 0.000 0.968 790 R CB -0.567 29.721 30.300 -0.021 0.000 0.861 790 R HN 0.719 nan 8.270 nan 0.000 0.440 791 Q N -0.179 119.613 119.800 -0.013 0.000 2.046 791 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 791 Q C 1.707 177.702 176.000 -0.010 0.000 0.975 791 Q CA 1.778 57.574 55.803 -0.011 0.000 0.836 791 Q CB -0.073 28.659 28.738 -0.009 0.000 0.896 791 Q HN 0.090 nan 8.270 nan 0.000 0.428 792 K N 0.182 120.577 120.400 -0.008 0.000 2.097 792 K HA -0.158 4.161 4.320 -0.000 0.000 0.206 792 K C 1.869 178.467 176.600 -0.005 0.000 1.049 792 K CA 1.005 57.289 56.287 -0.006 0.000 0.933 792 K CB -0.447 32.050 32.500 -0.005 0.000 0.717 792 K HN 0.263 nan 8.250 nan 0.000 0.442 793 L N 0.941 122.159 121.223 -0.008 0.000 2.017 793 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 793 L C 2.331 179.194 176.870 -0.012 0.000 1.073 793 L CA 1.834 56.669 54.840 -0.009 0.000 0.745 793 L CB -0.613 41.434 42.059 -0.019 0.000 0.894 793 L HN 0.198 nan 8.230 nan 0.000 0.432 794 R N -0.165 120.325 120.500 -0.018 0.000 2.091 794 R HA -0.229 4.111 4.340 -0.000 0.000 0.238 794 R C 2.212 178.508 176.300 -0.006 0.000 1.136 794 R CA 1.897 57.986 56.100 -0.018 0.000 0.959 794 R CB -0.318 29.970 30.300 -0.020 0.000 0.856 794 R HN 0.752 nan 8.270 nan 0.000 0.437 795 E N 0.046 120.245 120.200 -0.003 0.000 2.208 795 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 795 E C 1.968 178.575 176.600 0.012 0.000 0.988 795 E CA 0.902 57.304 56.400 0.004 0.000 0.828 795 E CB -0.228 29.474 29.700 0.002 0.000 0.763 795 E HN 0.398 nan 8.360 nan 0.000 0.478 796 L N 0.878 122.109 121.223 0.014 0.000 2.072 796 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 796 L C 2.458 179.354 176.870 0.043 0.000 1.079 796 L CA 1.399 56.255 54.840 0.026 0.000 0.752 796 L CB -0.271 41.802 42.059 0.023 0.000 0.906 796 L HN 0.124 nan 8.230 nan 0.000 0.436 797 E N -0.068 120.151 120.200 0.033 0.000 2.150 797 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 797 E C 2.182 178.806 176.600 0.040 0.000 0.985 797 E CA 1.353 57.776 56.400 0.039 0.000 0.814 797 E CB -0.004 29.698 29.700 0.002 0.000 0.752 797 E HN 0.501 nan 8.360 nan 0.000 0.466 798 S N 0.428 116.143 115.700 0.026 0.000 2.515 798 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 798 S C 1.801 176.421 174.600 0.034 0.000 0.987 798 S CA 0.427 58.641 58.200 0.024 0.000 0.936 798 S CB -0.272 62.935 63.200 0.012 0.000 0.766 798 S HN 0.161 nan 8.310 nan 0.000 0.528 799 I N 0.781 121.377 120.570 0.043 0.000 3.059 799 I HA 0.107 4.277 4.170 -0.000 0.000 0.270 799 I C 1.420 177.570 176.117 0.056 0.000 1.238 799 I CA 0.168 61.497 61.300 0.047 0.000 1.478 799 I CB 0.003 38.037 38.000 0.056 0.000 1.097 799 I HN 0.205 nan 8.210 nan 0.000 0.455 800 S N 0.000 115.745 115.700 0.074 0.000 2.498 800 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 800 S CA 0.000 58.255 58.200 0.092 0.000 1.107 800 S CB 0.000 63.277 63.200 0.128 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517