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 1wbd_1_B DATA FIRST_RESID 14 DATA SEQUENCE MQQYLRLKAQ HPEILLFYRM GDFYQLFYDD 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 0.000 176.240 176.300 -0.099 0.000 1.140 14 M CA 0.000 55.225 55.300 -0.125 0.000 0.988 14 M CB 0.000 32.358 32.600 -0.403 0.000 1.302 15 Q N 0.645 120.429 119.800 -0.028 0.000 2.331 15 Q HA -0.028 4.312 4.340 -0.000 0.000 0.203 15 Q C 1.683 177.694 176.000 0.018 0.000 0.944 15 Q CA 1.468 57.264 55.803 -0.010 0.000 0.892 15 Q CB 0.219 28.955 28.738 -0.004 0.000 0.983 15 Q HN 0.878 nan 8.270 nan 0.000 0.482 16 Q N 0.191 120.023 119.800 0.054 0.000 2.297 16 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 16 Q C 1.758 177.820 176.000 0.104 0.000 0.962 16 Q CA 0.576 56.437 55.803 0.097 0.000 0.879 16 Q CB -0.046 28.791 28.738 0.164 0.000 0.947 16 Q HN 0.396 nan 8.270 nan 0.000 0.462 17 Y N 0.725 120.949 120.300 -0.127 0.000 2.128 17 Y HA -0.269 4.281 4.550 -0.000 0.000 0.284 17 Y C 1.612 177.452 175.900 -0.100 0.000 1.154 17 Y CA 1.828 59.763 58.100 -0.276 0.000 1.149 17 Y CB -0.208 37.895 38.460 -0.596 0.000 0.976 17 Y HN 0.104 nan 8.280 nan 0.000 0.505 18 L N 0.071 121.257 121.223 -0.062 0.000 2.051 18 L HA -0.310 4.030 4.340 -0.000 0.000 0.214 18 L C 2.685 179.461 176.870 -0.157 0.000 1.076 18 L CA 1.885 56.654 54.840 -0.119 0.000 0.758 18 L CB -0.581 41.456 42.059 -0.037 0.000 0.890 18 L HN 0.199 nan 8.230 nan 0.000 0.433 19 R N -0.378 120.069 120.500 -0.088 0.000 2.148 19 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 19 R C 2.211 178.477 176.300 -0.057 0.000 1.088 19 R CA 0.874 56.941 56.100 -0.055 0.000 0.985 19 R CB -0.085 30.207 30.300 -0.013 0.000 0.880 19 R HN 0.353 nan 8.270 nan 0.000 0.451 20 L N -0.046 121.132 121.223 -0.074 0.000 2.270 20 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 20 L C 2.231 179.041 176.870 -0.101 0.000 1.104 20 L CA 0.703 55.523 54.840 -0.033 0.000 0.804 20 L CB -0.062 42.044 42.059 0.077 0.000 0.937 20 L HN -0.040 nan 8.230 nan 0.000 0.450 21 K N 0.878 121.104 120.400 -0.289 0.000 2.103 21 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 21 K C 2.028 178.569 176.600 -0.098 0.000 1.052 21 K CA 1.332 57.469 56.287 -0.250 0.000 0.945 21 K CB -0.176 32.067 32.500 -0.428 0.000 0.722 21 K HN 0.172 nan 8.250 nan 0.000 0.443 22 A N 0.713 123.472 122.820 -0.100 0.000 1.972 22 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 22 A C 2.040 179.583 177.584 -0.068 0.000 1.169 22 A CA 1.610 53.607 52.037 -0.066 0.000 0.635 22 A CB -0.518 18.443 19.000 -0.064 0.000 0.810 22 A HN 0.503 nan 8.150 nan 0.000 0.446 23 Q N -1.069 118.688 119.800 -0.071 0.000 2.135 23 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 23 Q C -0.090 175.696 176.000 -0.356 0.000 0.981 23 Q CA 1.088 56.797 55.803 -0.157 0.000 0.856 23 Q CB -0.050 28.650 28.738 -0.063 0.000 0.902 23 Q HN 0.805 nan 8.270 nan 0.000 0.425 24 H N -1.118 117.948 119.070 -0.007 0.000 2.607 24 H HA 0.159 4.715 4.556 -0.000 0.000 0.248 24 H C -2.027 173.307 175.328 0.009 0.000 1.355 24 H CA -1.537 54.515 56.048 0.006 0.000 1.524 24 H CB 1.384 31.152 29.762 0.010 0.000 1.563 24 H HN 0.146 nan 8.280 nan 0.000 0.509 25 P HA -0.043 nan 4.420 nan 0.000 0.249 25 P C 1.161 178.508 177.300 0.077 0.000 1.229 25 P CA 0.593 63.729 63.100 0.059 0.000 0.788 25 P CB 0.459 32.174 31.700 0.025 0.000 1.072 26 E N -0.180 120.076 120.200 0.093 0.000 2.452 26 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 26 E C 0.329 176.984 176.600 0.091 0.000 1.022 26 E CA 0.063 56.515 56.400 0.088 0.000 0.890 26 E CB 0.023 29.774 29.700 0.084 0.000 0.918 26 E HN 0.244 nan 8.360 nan 0.000 0.496 27 I N 1.871 122.500 120.570 0.100 0.000 2.603 27 I HA 0.231 4.401 4.170 -0.000 0.000 0.300 27 I C 0.090 176.259 176.117 0.086 0.000 1.017 27 I CA -1.068 60.275 61.300 0.070 0.000 1.098 27 I CB 2.163 40.180 38.000 0.029 0.000 1.279 27 I HN -0.060 nan 8.210 nan 0.000 0.437 28 L N 5.393 126.663 121.223 0.079 0.000 2.453 28 L HA 0.153 4.493 4.340 -0.000 0.000 0.272 28 L C -0.464 176.511 176.870 0.174 0.000 1.182 28 L CA -0.130 54.800 54.840 0.150 0.000 0.858 28 L CB 0.346 42.507 42.059 0.169 0.000 1.120 28 L HN 0.383 nan 8.230 nan 0.000 0.474 29 L N 4.251 125.656 121.223 0.304 0.000 2.295 29 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 29 L C -0.627 176.588 176.870 0.576 0.000 1.018 29 L CA -0.033 55.026 54.840 0.365 0.000 0.841 29 L CB 0.453 42.707 42.059 0.325 0.000 1.218 29 L HN 0.161 nan 8.230 nan 0.000 0.424 30 F N 4.861 124.913 119.950 0.170 0.000 2.467 30 F HA 0.194 4.721 4.527 -0.000 0.000 0.362 30 F C -0.286 175.750 175.800 0.395 0.000 1.090 30 F CA -0.089 58.026 58.000 0.192 0.000 1.202 30 F CB 0.236 39.193 39.000 -0.072 0.000 1.113 30 F HN 0.377 nan 8.300 nan 0.000 0.541 31 Y N 4.112 124.687 120.300 0.459 0.000 2.488 31 Y HA 0.422 4.972 4.550 -0.000 0.000 0.330 31 Y C 0.093 176.199 175.900 0.344 0.000 1.013 31 Y CA -1.397 56.963 58.100 0.434 0.000 1.304 31 Y CB 0.305 39.063 38.460 0.496 0.000 1.098 31 Y HN 0.535 nan 8.280 nan 0.000 0.498 32 R N 5.718 126.309 120.500 0.152 0.000 2.537 32 R HA 0.250 4.590 4.340 -0.000 0.000 0.281 32 R C -1.214 175.019 176.300 -0.112 0.000 0.988 32 R CA 0.742 56.768 56.100 -0.123 0.000 1.077 32 R CB -0.096 30.107 30.300 -0.162 0.000 0.932 32 R HN 0.717 nan 8.270 nan 0.000 0.409 33 M N 4.048 123.608 119.600 -0.068 0.000 2.265 33 M HA 0.363 4.843 4.480 -0.000 0.000 0.251 33 M C 0.377 176.695 176.300 0.029 0.000 1.005 33 M CA -0.372 54.934 55.300 0.010 0.000 0.998 33 M CB 1.481 34.154 32.600 0.121 0.000 2.070 33 M HN 0.725 nan 8.290 nan 0.000 0.476 34 G N 2.821 111.605 108.800 -0.027 0.000 2.561 34 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.289 34 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.289 34 G C 0.065 174.885 174.900 -0.133 0.000 1.169 34 G CA 0.702 45.787 45.100 -0.025 0.000 0.980 34 G HN 0.774 nan 8.290 nan 0.000 0.550 35 D N 0.806 121.120 120.400 -0.142 0.000 2.355 35 D HA 0.239 4.879 4.640 -0.000 0.000 0.218 35 D C 0.733 176.717 176.300 -0.527 0.000 1.004 35 D CA 0.829 54.579 54.000 -0.417 0.000 0.880 35 D CB 0.032 40.445 40.800 -0.645 0.000 0.911 35 D HN 0.230 nan 8.370 nan 0.000 0.528 36 F N -0.487 119.377 119.950 -0.143 0.000 2.538 36 F HA 0.391 4.918 4.527 -0.000 0.000 0.325 36 F C -0.142 175.490 175.800 -0.279 0.000 1.066 36 F CA -1.338 56.581 58.000 -0.136 0.000 0.946 36 F CB 1.038 39.977 39.000 -0.102 0.000 1.199 36 F HN -0.290 nan 8.300 nan 0.000 0.473 37 Y N 0.980 121.355 120.300 0.124 0.000 2.330 37 Y HA 0.508 5.058 4.550 -0.000 0.000 0.336 37 Y C -0.146 175.666 175.900 -0.147 0.000 1.036 37 Y CA -0.635 57.474 58.100 0.015 0.000 1.125 37 Y CB 1.454 39.895 38.460 -0.032 0.000 1.194 37 Y HN 0.484 nan 8.280 nan 0.000 0.469 38 Q N 2.106 121.918 119.800 0.020 0.000 2.377 38 Q HA 0.712 5.051 4.340 -0.000 0.000 0.271 38 Q C -1.812 173.930 176.000 -0.430 0.000 1.077 38 Q CA -0.713 54.915 55.803 -0.292 0.000 0.820 38 Q CB 1.836 30.357 28.738 -0.363 0.000 1.347 38 Q HN 0.596 nan 8.270 nan 0.000 0.444 39 L N 2.533 123.384 121.223 -0.619 0.000 2.362 39 L HA 0.655 4.995 4.340 -0.000 0.000 0.271 39 L C -1.206 175.252 176.870 -0.687 0.000 1.002 39 L CA -0.214 54.369 54.840 -0.428 0.000 0.818 39 L CB 1.230 43.195 42.059 -0.157 0.000 1.298 39 L HN 0.536 nan 8.230 nan 0.000 0.420 40 F N 0.709 120.597 119.950 -0.103 0.000 2.611 40 F HA 0.626 5.153 4.527 -0.000 0.000 0.324 40 F C 0.275 176.139 175.800 0.108 0.000 1.061 40 F CA -0.768 57.138 58.000 -0.157 0.000 0.954 40 F CB 0.945 39.655 39.000 -0.483 0.000 1.301 40 F HN 0.351 nan 8.300 nan 0.000 0.482 41 Y N -0.141 120.260 120.300 0.169 0.000 2.850 41 Y HA -0.434 4.116 4.550 -0.000 0.000 0.469 41 Y C 1.675 177.637 175.900 0.105 0.000 1.165 41 Y CA 1.712 59.888 58.100 0.127 0.000 2.638 41 Y CB -1.113 37.438 38.460 0.151 0.000 1.196 41 Y HN 0.578 nan 8.280 nan 0.000 0.625 42 D N 0.075 120.668 120.400 0.322 0.000 2.317 42 D HA -0.023 4.617 4.640 -0.000 0.000 0.211 42 D C 1.357 177.756 176.300 0.164 0.000 0.966 42 D CA 1.255 55.373 54.000 0.197 0.000 0.876 42 D CB -0.393 40.512 40.800 0.175 0.000 0.927 42 D HN 0.389 nan 8.370 nan 0.000 0.519 43 D N 0.604 121.125 120.400 0.202 0.000 2.097 43 D HA -0.071 4.569 4.640 -0.000 0.000 0.197 43 D C 2.068 178.432 176.300 0.107 0.000 0.984 43 D CA 1.184 55.291 54.000 0.177 0.000 0.826 43 D CB -0.292 40.654 40.800 0.244 0.000 0.973 43 D HN 0.119 nan 8.370 nan 0.000 0.460 44 A N 1.038 123.895 122.820 0.062 0.000 1.902 44 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 44 A C 2.059 179.644 177.584 0.002 0.000 1.181 44 A CA 1.506 53.530 52.037 -0.021 0.000 0.623 44 A CB -0.386 18.566 19.000 -0.079 0.000 0.818 44 A HN 0.112 nan 8.150 nan 0.000 0.443 45 K N -1.031 119.387 120.400 0.029 0.000 2.002 45 K HA -0.105 4.215 4.320 -0.000 0.000 0.209 45 K C 2.392 179.017 176.600 0.042 0.000 1.048 45 K CA 1.270 57.575 56.287 0.030 0.000 0.930 45 K CB -0.212 32.315 32.500 0.045 0.000 0.714 45 K HN 0.238 nan 8.250 nan 0.000 0.438 46 R N 0.368 120.906 120.500 0.063 0.000 2.148 46 R HA -0.053 4.287 4.340 -0.000 0.000 0.227 46 R C 1.933 178.276 176.300 0.072 0.000 1.103 46 R CA 1.146 57.288 56.100 0.070 0.000 0.983 46 R CB -0.062 30.289 30.300 0.085 0.000 0.874 46 R HN 0.197 nan 8.270 nan 0.000 0.451 47 A N -0.021 122.841 122.820 0.070 0.000 2.021 47 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 47 A C 2.098 179.713 177.584 0.051 0.000 1.163 47 A CA 1.235 53.318 52.037 0.077 0.000 0.676 47 A CB -0.159 18.884 19.000 0.072 0.000 0.818 47 A HN 0.452 nan 8.150 nan 0.000 0.453 48 S N 0.560 116.276 115.700 0.026 0.000 2.395 48 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 48 S C 2.027 176.646 174.600 0.033 0.000 1.027 48 S CA 1.075 59.284 58.200 0.015 0.000 0.965 48 S CB -0.602 62.594 63.200 -0.007 0.000 0.812 48 S HN 0.792 nan 8.310 nan 0.000 0.482 49 Q N 0.841 120.663 119.800 0.037 0.000 2.245 49 Q HA 0.138 4.478 4.340 -0.000 0.000 0.201 49 Q C 2.131 178.162 176.000 0.051 0.000 0.955 49 Q CA 0.817 56.644 55.803 0.040 0.000 0.870 49 Q CB -0.470 28.289 28.738 0.036 0.000 0.945 49 Q HN 0.516 nan 8.270 nan 0.000 0.461 50 L N -0.017 121.244 121.223 0.063 0.000 2.209 50 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 50 L C 2.026 178.950 176.870 0.089 0.000 1.094 50 L CA 0.714 55.598 54.840 0.073 0.000 0.790 50 L CB 0.114 42.224 42.059 0.085 0.000 0.932 50 L HN 0.260 nan 8.230 nan 0.000 0.447 51 L N -2.239 119.050 121.223 0.110 0.000 2.672 51 L HA 0.179 4.519 4.340 -0.000 0.000 0.236 51 L C -0.241 176.727 176.870 0.163 0.000 1.092 51 L CA -0.155 54.786 54.840 0.168 0.000 0.887 51 L CB 0.501 42.711 42.059 0.251 0.000 1.168 51 L HN 0.102 nan 8.230 nan 0.000 0.502 52 D N 2.050 122.514 120.400 0.106 0.000 4.161 52 D HA -0.130 4.510 4.640 -0.000 0.000 0.246 52 D C -0.837 175.518 176.300 0.091 0.000 1.064 52 D CA 0.845 54.898 54.000 0.088 0.000 1.187 52 D CB -0.522 40.330 40.800 0.085 0.000 0.871 52 D HN 0.332 nan 8.370 nan 0.000 0.413 53 I N -2.139 118.455 120.570 0.040 0.000 3.149 53 I HA 0.523 4.692 4.170 -0.000 0.000 0.310 53 I C -0.041 176.064 176.117 -0.019 0.000 1.343 53 I CA -1.054 60.245 61.300 -0.001 0.000 0.955 53 I CB 1.856 39.821 38.000 -0.058 0.000 1.309 53 I HN 0.016 nan 8.210 nan 0.000 0.478 54 S N 1.725 117.401 115.700 -0.040 0.000 2.730 54 S HA 0.701 5.170 4.470 -0.000 0.000 0.284 54 S C -0.337 174.225 174.600 -0.063 0.000 1.153 54 S CA -0.690 57.485 58.200 -0.042 0.000 0.995 54 S CB 1.304 64.480 63.200 -0.041 0.000 1.058 54 S HN 0.328 nan 8.310 nan 0.000 0.552 55 L N 0.649 121.838 121.223 -0.057 0.000 2.341 55 L HA 0.706 5.046 4.340 -0.000 0.000 0.267 55 L C 0.364 177.190 176.870 -0.073 0.000 1.022 55 L CA -0.301 54.499 54.840 -0.067 0.000 0.844 55 L CB 1.388 43.416 42.059 -0.051 0.000 1.436 55 L HN 0.702 nan 8.230 nan 0.000 0.483 68 M N 1.503 121.039 119.600 -0.106 0.000 2.327 68 M HA 0.823 5.303 4.480 -0.000 0.000 0.298 68 M C -0.658 175.518 176.300 -0.206 0.000 1.065 68 M CA -0.341 54.843 55.300 -0.193 0.000 0.916 68 M CB 2.872 35.380 32.600 -0.154 0.000 1.630 68 M HN 0.436 nan 8.290 nan 0.000 0.442 69 A N 1.821 124.484 122.820 -0.263 0.000 2.423 69 A HA 1.043 5.363 4.320 -0.000 0.000 0.304 69 A C -0.576 176.830 177.584 -0.296 0.000 1.104 69 A CA -0.633 51.266 52.037 -0.230 0.000 0.757 69 A CB 1.827 20.726 19.000 -0.168 0.000 1.313 69 A HN 0.893 nan 8.150 nan 0.000 0.423 70 G N -0.461 108.186 108.800 -0.255 0.000 2.690 70 G HA2 0.653 4.613 3.960 -0.000 0.000 0.293 70 G HA3 0.653 4.613 3.960 -0.000 0.000 0.293 70 G C -0.941 173.858 174.900 -0.169 0.000 1.399 70 G CA -0.264 44.698 45.100 -0.230 0.000 0.890 70 G HN 1.502 nan 8.290 nan 0.000 0.485 71 I N -0.975 119.513 120.570 -0.136 0.000 2.646 71 I HA 0.745 4.915 4.170 -0.000 0.000 0.299 71 I C -2.639 173.532 176.117 0.090 0.000 1.036 71 I CA -3.062 58.131 61.300 -0.179 0.000 1.074 71 I CB 2.984 40.673 38.000 -0.518 0.000 1.258 71 I HN 0.227 nan 8.210 nan 0.000 0.430 72 P HA 0.011 nan 4.420 nan 0.000 0.272 72 P C -0.332 177.045 177.300 0.128 0.000 1.223 72 P CA 0.121 63.197 63.100 -0.039 0.000 0.784 72 P CB 0.701 32.457 31.700 0.093 0.000 0.923 73 Y N 2.416 122.689 120.300 -0.044 0.000 2.314 73 Y HA -0.212 4.338 4.550 -0.000 0.000 0.293 73 Y C 2.381 178.380 175.900 0.164 0.000 1.129 73 Y CA 1.820 59.956 58.100 0.060 0.000 1.201 73 Y CB -0.716 37.695 38.460 -0.082 0.000 0.999 73 Y HN 0.477 nan 8.280 nan 0.000 0.541 74 H N -1.089 117.958 119.070 -0.039 0.000 2.559 74 H HA 0.272 4.828 4.556 -0.000 0.000 0.273 74 H C 0.906 176.198 175.328 -0.059 0.000 1.000 74 H CA 0.994 56.992 56.048 -0.083 0.000 1.195 74 H CB -0.294 29.464 29.762 -0.007 0.000 1.368 74 H HN 0.351 nan 8.280 nan 0.000 0.592 75 A N 0.643 123.307 122.820 -0.259 0.000 2.609 75 A HA 0.404 4.724 4.320 -0.000 0.000 0.286 75 A C 1.845 179.488 177.584 0.098 0.000 1.138 75 A CA 0.063 51.987 52.037 -0.188 0.000 0.960 75 A CB -0.008 18.893 19.000 -0.164 0.000 1.208 75 A HN 0.163 nan 8.150 nan 0.000 0.541 76 V N 0.415 120.372 119.914 0.072 0.000 2.343 76 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 76 V C 2.437 178.611 176.094 0.133 0.000 1.051 76 V CA 2.196 64.607 62.300 0.185 0.000 1.036 76 V CB -0.456 31.452 31.823 0.143 0.000 0.654 76 V HN 0.526 nan 8.190 nan 0.000 0.451 77 E N 0.274 120.478 120.200 0.006 0.000 2.153 77 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 77 E C 2.024 178.608 176.600 -0.027 0.000 0.988 77 E CA 1.238 57.623 56.400 -0.026 0.000 0.811 77 E CB -0.523 29.139 29.700 -0.063 0.000 0.746 77 E HN 0.657 nan 8.360 nan 0.000 0.466 78 N N -0.165 118.502 118.700 -0.053 0.000 2.084 78 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 78 N C 1.551 176.959 175.510 -0.170 0.000 1.030 78 N CA 1.059 54.015 53.050 -0.158 0.000 0.849 78 N CB -0.217 38.099 38.487 -0.286 0.000 1.012 78 N HN 0.185 nan 8.380 nan 0.000 0.423 79 Y N 0.189 120.508 120.300 0.030 0.000 2.516 79 Y HA 0.100 4.649 4.550 -0.000 0.000 0.291 79 Y C 1.772 177.730 175.900 0.096 0.000 1.131 79 Y CA 0.364 58.515 58.100 0.086 0.000 1.281 79 Y CB -0.046 38.499 38.460 0.141 0.000 1.013 79 Y HN 0.080 nan 8.280 nan 0.000 0.554 80 L N -0.940 120.383 121.223 0.167 0.000 2.072 80 L HA -0.181 4.159 4.340 -0.000 0.000 0.205 80 L C 2.667 179.535 176.870 -0.004 0.000 1.079 80 L CA 1.074 55.926 54.840 0.020 0.000 0.752 80 L CB -0.805 41.219 42.059 -0.059 0.000 0.906 80 L HN 0.229 nan 8.230 nan 0.000 0.436 81 A N 0.126 122.937 122.820 -0.016 0.000 1.933 81 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 81 A C 2.298 179.868 177.584 -0.024 0.000 1.175 81 A CA 1.825 53.842 52.037 -0.034 0.000 0.628 81 A CB -0.304 18.663 19.000 -0.055 0.000 0.814 81 A HN 0.275 nan 8.150 nan 0.000 0.444 82 K N -0.666 119.725 120.400 -0.016 0.000 2.116 82 K HA 0.169 4.489 4.320 -0.000 0.000 0.203 82 K C 1.769 178.390 176.600 0.035 0.000 1.052 82 K CA 0.811 57.096 56.287 -0.003 0.000 0.952 82 K CB -0.195 32.294 32.500 -0.018 0.000 0.729 82 K HN 0.462 nan 8.250 nan 0.000 0.446 83 L N -0.029 121.231 121.223 0.063 0.000 2.109 83 L HA -0.118 4.221 4.340 -0.000 0.000 0.207 83 L C 2.103 178.987 176.870 0.024 0.000 1.086 83 L CA 0.602 55.480 54.840 0.063 0.000 0.760 83 L CB -0.255 41.855 42.059 0.085 0.000 0.910 83 L HN -0.025 nan 8.230 nan 0.000 0.437 84 V N 0.301 120.216 119.914 0.001 0.000 2.407 84 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 84 V C 2.264 178.358 176.094 -0.000 0.000 1.055 84 V CA 1.928 64.221 62.300 -0.011 0.000 1.049 84 V CB -0.701 31.104 31.823 -0.030 0.000 0.662 84 V HN 0.582 nan 8.190 nan 0.000 0.455 85 N N 0.058 118.758 118.700 0.001 0.000 2.453 85 N HA -0.165 4.575 4.740 -0.000 0.000 0.183 85 N C 1.557 177.074 175.510 0.012 0.000 1.041 85 N CA 0.968 54.020 53.050 0.003 0.000 0.900 85 N CB 0.106 38.591 38.487 -0.003 0.000 0.961 85 N HN 0.616 nan 8.380 nan 0.000 0.443 86 Q N -1.025 118.786 119.800 0.020 0.000 2.247 86 Q HA 0.199 4.539 4.340 -0.000 0.000 0.204 86 Q C 0.485 176.503 176.000 0.029 0.000 0.872 86 Q CA 0.235 56.054 55.803 0.026 0.000 0.951 86 Q CB 0.930 29.690 28.738 0.036 0.000 1.099 86 Q HN 0.434 nan 8.270 nan 0.000 0.501 87 G N 1.042 109.857 108.800 0.024 0.000 2.159 87 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.227 87 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.227 87 G C -0.256 174.662 174.900 0.031 0.000 0.986 87 G CA -0.417 44.700 45.100 0.027 0.000 0.651 87 G HN 0.192 nan 8.290 nan 0.000 0.523 88 E N 1.305 121.521 120.200 0.028 0.000 2.146 88 E HA 0.512 4.862 4.350 -0.000 0.000 0.282 88 E C 0.221 176.821 176.600 -0.001 0.000 0.989 88 E CA -0.178 56.238 56.400 0.026 0.000 0.799 88 E CB 1.503 31.226 29.700 0.038 0.000 1.088 88 E HN 0.213 nan 8.360 nan 0.000 0.397 89 S N 1.098 116.800 115.700 0.003 0.000 2.593 89 S HA 0.386 4.856 4.470 -0.000 0.000 0.269 89 S C 0.012 174.562 174.600 -0.084 0.000 1.334 89 S CA -0.563 57.618 58.200 -0.031 0.000 1.015 89 S CB 0.882 64.084 63.200 0.003 0.000 0.912 89 S HN 0.268 nan 8.310 nan 0.000 0.541 90 V N 1.223 121.037 119.914 -0.166 0.000 2.711 90 V HA 0.643 4.762 4.120 -0.000 0.000 0.304 90 V C -0.267 175.651 176.094 -0.295 0.000 1.097 90 V CA -0.897 61.228 62.300 -0.291 0.000 0.906 90 V CB 1.507 33.002 31.823 -0.546 0.000 1.015 90 V HN 0.976 nan 8.190 nan 0.000 0.427 91 A N 5.478 128.160 122.820 -0.231 0.000 2.312 91 A HA 0.941 5.261 4.320 -0.000 0.000 0.326 91 A C -0.757 176.745 177.584 -0.137 0.000 1.172 91 A CA -0.428 51.492 52.037 -0.195 0.000 0.821 91 A CB 0.671 19.566 19.000 -0.175 0.000 1.166 91 A HN 0.768 nan 8.150 nan 0.000 0.493 92 I N 1.272 121.775 120.570 -0.112 0.000 2.404 92 I HA 0.387 4.556 4.170 -0.000 0.000 0.293 92 I C -0.284 175.884 176.117 0.085 0.000 0.992 92 I CA -0.305 60.976 61.300 -0.032 0.000 1.149 92 I CB 1.794 39.698 38.000 -0.160 0.000 1.315 92 I HN 0.667 nan 8.210 nan 0.000 0.446 93 C N 6.864 126.284 119.300 0.201 0.000 2.379 93 C HA 0.658 5.118 4.460 -0.000 0.000 0.323 93 C C -0.333 174.731 174.990 0.122 0.000 1.262 93 C CA -0.115 59.000 59.018 0.162 0.000 1.581 93 C CB 0.355 28.235 27.740 0.233 0.000 2.221 93 C HN 0.852 nan 8.230 nan 0.000 0.497 109 K N 0.706 121.136 120.400 0.050 0.000 2.578 109 K HA 0.328 4.648 4.320 -0.000 0.000 0.287 109 K C -1.346 175.301 176.600 0.078 0.000 1.010 109 K CA -0.838 55.493 56.287 0.075 0.000 0.889 109 K CB 1.769 34.306 32.500 0.061 0.000 1.514 109 K HN 0.127 nan 8.250 nan 0.000 0.424 110 V N 2.541 122.511 119.914 0.092 0.000 2.421 110 V HA 0.021 4.141 4.120 -0.000 0.000 0.271 110 V C 0.672 176.789 176.094 0.040 0.000 1.031 110 V CA -0.075 62.269 62.300 0.073 0.000 1.032 110 V CB 0.833 32.704 31.823 0.080 0.000 1.009 110 V HN 0.651 nan 8.190 nan 0.000 0.477 111 V N 5.783 125.714 119.914 0.028 0.000 3.621 111 V HA 0.314 4.434 4.120 -0.000 0.000 0.263 111 V C 0.745 176.835 176.094 -0.007 0.000 1.272 111 V CA 0.616 62.928 62.300 0.020 0.000 1.080 111 V CB 0.303 32.149 31.823 0.038 0.000 0.816 111 V HN 0.904 nan 8.190 nan 0.000 0.451 112 R N -0.170 120.309 120.500 -0.034 0.000 2.629 112 R HA 0.566 4.906 4.340 -0.000 0.000 0.266 112 R C -2.170 174.056 176.300 -0.124 0.000 1.051 112 R CA -0.567 55.491 56.100 -0.069 0.000 0.895 112 R CB 1.830 32.098 30.300 -0.053 0.000 1.246 112 R HN 0.161 nan 8.270 nan 0.000 0.459 113 I N 3.995 124.479 120.570 -0.144 0.000 2.569 113 I HA 0.353 4.523 4.170 -0.000 0.000 0.290 113 I C -0.681 175.340 176.117 -0.160 0.000 1.088 113 I CA -1.162 60.027 61.300 -0.185 0.000 1.047 113 I CB 2.431 40.298 38.000 -0.222 0.000 1.237 113 I HN 0.486 nan 8.210 nan 0.000 0.421 114 V N 1.966 121.779 119.914 -0.169 0.000 2.448 114 V HA 0.772 4.892 4.120 -0.000 0.000 0.295 114 V C -0.018 176.014 176.094 -0.104 0.000 1.025 114 V CA -0.279 61.942 62.300 -0.132 0.000 0.859 114 V CB 1.259 33.001 31.823 -0.134 0.000 0.988 114 V HN 0.834 nan 8.190 nan 0.000 0.431 115 T N 2.314 116.828 114.554 -0.067 0.000 2.925 115 T HA 0.648 4.998 4.350 -0.000 0.000 0.285 115 T C -1.844 172.859 174.700 0.005 0.000 1.021 115 T CA -2.015 60.082 62.100 -0.006 0.000 1.042 115 T CB 2.010 70.915 68.868 0.062 0.000 1.037 115 T HN 0.480 nan 8.240 nan 0.000 0.481 116 P HA 0.117 nan 4.420 nan 0.000 0.218 116 P C 1.376 178.685 177.300 0.015 0.000 1.149 116 P CA 0.878 63.985 63.100 0.011 0.000 0.817 116 P CB -0.158 31.553 31.700 0.017 0.000 0.785 117 G N -1.463 107.359 108.800 0.038 0.000 3.088 117 G HA2 0.010 3.970 3.960 -0.000 0.000 0.217 117 G HA3 0.010 3.970 3.960 -0.000 0.000 0.217 117 G C 0.741 175.651 174.900 0.017 0.000 1.159 117 G CA 0.573 45.689 45.100 0.028 0.000 0.760 117 G HN 0.367 nan 8.290 nan 0.000 0.550 118 T N -1.102 113.458 114.554 0.011 0.000 3.231 118 T HA 0.390 4.740 4.350 -0.000 0.000 0.292 118 T C 0.841 175.521 174.700 -0.034 0.000 1.001 118 T CA -0.600 61.489 62.100 -0.020 0.000 0.920 118 T CB -0.283 68.559 68.868 -0.043 0.000 1.140 118 T HN 0.275 nan 8.240 nan 0.000 0.525 119 I N -0.130 120.423 120.570 -0.029 0.000 2.764 119 I HA 0.702 4.872 4.170 -0.000 0.000 0.294 119 I C 0.601 176.702 176.117 -0.027 0.000 1.045 119 I CA -0.580 60.699 61.300 -0.035 0.000 1.340 119 I CB 1.590 39.568 38.000 -0.037 0.000 1.436 119 I HN 0.204 nan 8.210 nan 0.000 0.567 120 S N 0.344 116.025 115.700 -0.031 0.000 2.760 120 S HA 0.197 4.667 4.470 -0.000 0.000 0.263 120 S C -0.202 174.378 174.600 -0.033 0.000 1.007 120 S CA -0.561 57.622 58.200 -0.028 0.000 1.358 120 S CB -0.145 63.038 63.200 -0.028 0.000 1.228 120 S HN 0.726 nan 8.310 nan 0.000 0.684 121 D N 2.993 123.372 120.400 -0.035 0.000 2.345 121 D HA 0.190 4.830 4.640 -0.000 0.000 0.247 121 D C 1.186 177.466 176.300 -0.034 0.000 1.108 121 D CA -0.061 53.919 54.000 -0.033 0.000 0.894 121 D CB 1.310 42.089 40.800 -0.035 0.000 1.203 121 D HN 0.594 nan 8.370 nan 0.000 0.430 122 E N 1.574 121.754 120.200 -0.034 0.000 2.274 122 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 122 E C 1.260 177.837 176.600 -0.038 0.000 0.996 122 E CA 0.609 56.988 56.400 -0.035 0.000 0.840 122 E CB 0.132 29.811 29.700 -0.035 0.000 0.772 122 E HN 0.388 nan 8.360 nan 0.000 0.491 123 A N 1.215 124.010 122.820 -0.041 0.000 2.014 123 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 123 A C 2.099 179.654 177.584 -0.049 0.000 1.163 123 A CA 0.738 52.747 52.037 -0.048 0.000 0.652 123 A CB -0.286 18.683 19.000 -0.051 0.000 0.808 123 A HN 0.336 nan 8.150 nan 0.000 0.449 124 L N -1.090 120.107 121.223 -0.044 0.000 2.513 124 L HA 0.265 4.605 4.340 -0.000 0.000 0.222 124 L C 0.315 177.163 176.870 -0.037 0.000 1.096 124 L CA -0.096 54.718 54.840 -0.043 0.000 0.857 124 L CB -0.113 41.919 42.059 -0.045 0.000 1.026 124 L HN 0.216 nan 8.230 nan 0.000 0.469 125 L N -0.184 121.019 121.223 -0.034 0.000 2.352 125 L HA 0.323 4.663 4.340 -0.000 0.000 0.269 125 L C -0.164 176.689 176.870 -0.028 0.000 1.034 125 L CA -0.439 54.384 54.840 -0.028 0.000 0.806 125 L CB 1.561 43.604 42.059 -0.026 0.000 1.244 125 L HN 0.011 nan 8.230 nan 0.000 0.447 126 Q N 0.714 120.501 119.800 -0.023 0.000 2.303 126 Q HA 0.065 4.405 4.340 -0.000 0.000 0.257 126 Q C 0.532 176.519 176.000 -0.021 0.000 0.941 126 Q CA -0.148 55.642 55.803 -0.022 0.000 0.931 126 Q CB 1.847 30.575 28.738 -0.016 0.000 1.215 126 Q HN 0.498 nan 8.270 nan 0.000 0.437 127 E N 2.996 123.181 120.200 -0.025 0.000 2.136 127 E HA -0.290 4.060 4.350 -0.000 0.000 0.208 127 E C 0.498 177.083 176.600 -0.025 0.000 1.035 127 E CA 1.698 58.082 56.400 -0.027 0.000 0.838 127 E CB 0.298 29.981 29.700 -0.029 0.000 0.748 127 E HN 0.418 nan 8.360 nan 0.000 0.459 128 R N -0.371 120.116 120.500 -0.022 0.000 2.586 128 R HA 0.246 4.586 4.340 -0.000 0.000 0.336 128 R C -0.254 176.038 176.300 -0.013 0.000 1.060 128 R CA -0.069 56.018 56.100 -0.022 0.000 1.079 128 R CB 0.775 31.061 30.300 -0.023 0.000 1.317 128 R HN 0.134 nan 8.270 nan 0.000 0.568 129 Q N 0.796 120.592 119.800 -0.008 0.000 2.285 129 Q HA 0.173 4.513 4.340 -0.000 0.000 0.269 129 Q C -1.301 174.702 176.000 0.005 0.000 1.030 129 Q CA -0.705 55.100 55.803 0.004 0.000 0.788 129 Q CB 2.509 31.250 28.738 0.006 0.000 1.266 129 Q HN 0.077 nan 8.270 nan 0.000 0.438 130 D N 1.704 122.113 120.400 0.015 0.000 2.400 130 D HA 0.024 4.664 4.640 -0.000 0.000 0.238 130 D C -0.356 175.953 176.300 0.014 0.000 1.157 130 D CA 0.701 54.711 54.000 0.016 0.000 0.889 130 D CB 0.632 41.450 40.800 0.031 0.000 1.199 130 D HN 0.364 nan 8.370 nan 0.000 0.436 131 N N 1.409 120.113 118.700 0.007 0.000 2.549 131 N HA 0.310 5.050 4.740 -0.000 0.000 0.281 131 N C -1.464 174.046 175.510 -0.000 0.000 1.084 131 N CA -0.389 52.663 53.050 0.004 0.000 0.862 131 N CB 0.641 39.126 38.487 -0.003 0.000 1.333 131 N HN 0.194 nan 8.380 nan 0.000 0.523 132 L N 2.090 123.316 121.223 0.005 0.000 2.334 132 L HA 0.602 4.942 4.340 -0.000 0.000 0.273 132 L C -0.659 176.204 176.870 -0.012 0.000 1.013 132 L CA -1.300 53.536 54.840 -0.005 0.000 0.816 132 L CB 1.616 43.681 42.059 0.010 0.000 1.278 132 L HN 0.369 nan 8.230 nan 0.000 0.431 133 L N 2.464 123.666 121.223 -0.035 0.000 2.309 133 L HA 0.840 5.179 4.340 -0.000 0.000 0.282 133 L C -0.383 176.443 176.870 -0.074 0.000 1.036 133 L CA 0.048 54.864 54.840 -0.039 0.000 0.806 133 L CB 1.431 43.471 42.059 -0.031 0.000 1.220 133 L HN 0.704 nan 8.230 nan 0.000 0.429 134 A N 3.895 126.668 122.820 -0.078 0.000 2.435 134 A HA 0.975 5.295 4.320 -0.000 0.000 0.304 134 A C -1.267 176.259 177.584 -0.096 0.000 1.064 134 A CA -0.148 51.799 52.037 -0.150 0.000 0.727 134 A CB 1.559 20.497 19.000 -0.105 0.000 1.284 134 A HN 1.152 nan 8.150 nan 0.000 0.415 135 A N 1.075 123.826 122.820 -0.115 0.000 2.386 135 A HA 0.824 5.143 4.320 -0.000 0.000 0.311 135 A C -0.862 176.840 177.584 0.197 0.000 1.068 135 A CA -0.437 51.631 52.037 0.052 0.000 0.743 135 A CB 0.930 19.956 19.000 0.042 0.000 1.258 135 A HN 1.434 nan 8.150 nan 0.000 0.429 136 I N 2.387 123.137 120.570 0.300 0.000 2.730 136 I HA 0.807 4.977 4.170 -0.000 0.000 0.298 136 I C -1.660 174.627 176.117 0.284 0.000 1.089 136 I CA -0.588 60.921 61.300 0.347 0.000 1.041 136 I CB 1.743 39.854 38.000 0.186 0.000 1.235 136 I HN 0.924 nan 8.210 nan 0.000 0.423 137 W N 7.431 128.814 121.300 0.138 0.000 3.059 137 W HA 0.484 5.144 4.660 -0.000 0.000 0.329 137 W C -2.606 174.042 176.519 0.215 0.000 1.246 137 W CA -0.720 56.640 57.345 0.025 0.000 1.190 137 W CB 1.362 30.615 29.460 -0.344 0.000 1.423 137 W HN 0.704 nan 8.180 nan 0.000 0.571 138 Q N 2.799 122.272 119.800 -0.545 0.000 2.347 138 Q HA 0.417 4.757 4.340 -0.000 0.000 0.271 138 Q C -1.801 173.521 176.000 -1.130 0.000 1.064 138 Q CA -0.298 55.044 55.803 -0.768 0.000 0.800 138 Q CB 2.777 31.191 28.738 -0.540 0.000 1.304 138 Q HN 0.382 nan 8.270 nan 0.000 0.438 139 D N -0.034 119.819 120.400 -0.911 0.000 2.494 139 D HA 0.328 4.968 4.640 -0.000 0.000 0.259 139 D C 0.591 176.620 176.300 -0.451 0.000 1.109 139 D CA -0.152 53.448 54.000 -0.667 0.000 1.040 139 D CB 1.732 42.265 40.800 -0.445 0.000 1.175 139 D HN 0.590 nan 8.370 nan 0.000 0.584 140 S N -0.011 115.513 115.700 -0.293 0.000 2.382 140 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 140 S C 1.331 175.810 174.600 -0.203 0.000 1.027 140 S CA 1.037 59.109 58.200 -0.213 0.000 0.991 140 S CB -0.131 62.989 63.200 -0.133 0.000 0.823 140 S HN 0.334 nan 8.310 nan 0.000 0.469 141 K N 1.496 121.783 120.400 -0.187 0.000 1.997 141 K HA 0.343 4.663 4.320 -0.000 0.000 0.219 141 K C 1.432 177.903 176.600 -0.214 0.000 1.023 141 K CA 0.962 57.159 56.287 -0.150 0.000 1.003 141 K CB -0.655 31.789 32.500 -0.093 0.000 0.842 141 K HN 0.405 nan 8.250 nan 0.000 0.445 142 G N -0.764 107.902 108.800 -0.222 0.000 3.247 142 G HA2 0.523 4.483 3.960 -0.000 0.000 0.226 142 G HA3 0.523 4.483 3.960 -0.000 0.000 0.226 142 G C -1.233 173.442 174.900 -0.375 0.000 1.220 142 G CA -0.789 44.161 45.100 -0.250 0.000 0.875 142 G HN 0.148 nan 8.290 nan 0.000 0.606 143 F N 0.064 119.987 119.950 -0.046 0.000 2.432 143 F HA 0.623 5.150 4.527 -0.000 0.000 0.329 143 F C 0.912 176.768 175.800 0.094 0.000 1.076 143 F CA -0.258 57.743 58.000 0.002 0.000 1.018 143 F CB 2.183 41.212 39.000 0.049 0.000 1.201 143 F HN 0.516 nan 8.300 nan 0.000 0.489 144 G N 1.041 110.074 108.800 0.388 0.000 2.415 144 G HA2 0.505 4.465 3.960 -0.000 0.000 0.327 144 G HA3 0.505 4.465 3.960 -0.000 0.000 0.327 144 G C -2.468 172.753 174.900 0.534 0.000 1.182 144 G CA -0.425 44.965 45.100 0.483 0.000 0.924 144 G HN 0.496 nan 8.290 nan 0.000 0.470 145 Y N 1.024 121.470 120.300 0.243 0.000 2.470 145 Y HA 0.674 5.224 4.550 -0.000 0.000 0.341 145 Y C -0.446 175.537 175.900 0.138 0.000 1.021 145 Y CA -1.076 57.131 58.100 0.179 0.000 1.025 145 Y CB 2.229 40.761 38.460 0.120 0.000 1.266 145 Y HN 0.871 nan 8.280 nan 0.000 0.448 146 A N 3.009 125.623 122.820 -0.344 0.000 2.449 146 A HA 0.824 5.144 4.320 -0.000 0.000 0.302 146 A C -0.917 176.436 177.584 -0.384 0.000 1.048 146 A CA -0.276 51.627 52.037 -0.225 0.000 0.708 146 A CB 1.294 20.297 19.000 0.004 0.000 1.274 146 A HN 0.855 nan 8.150 nan 0.000 0.410 147 T N -0.706 113.764 114.554 -0.139 0.000 2.900 147 T HA 0.696 5.046 4.350 -0.000 0.000 0.295 147 T C -1.074 173.659 174.700 0.054 0.000 1.044 147 T CA -0.603 61.437 62.100 -0.100 0.000 0.995 147 T CB 1.343 70.154 68.868 -0.094 0.000 1.072 147 T HN 1.416 nan 8.240 nan 0.000 0.473 148 L N 1.805 122.987 121.223 -0.067 0.000 2.410 148 L HA 0.688 5.028 4.340 -0.000 0.000 0.270 148 L C -1.446 175.354 176.870 -0.115 0.000 0.983 148 L CA -0.388 54.347 54.840 -0.174 0.000 0.822 148 L CB 2.135 43.930 42.059 -0.439 0.000 1.285 148 L HN 0.862 nan 8.230 nan 0.000 0.409 149 D N 4.434 124.777 120.400 -0.095 0.000 2.428 149 D HA 0.137 4.776 4.640 -0.000 0.000 0.221 149 D C 1.040 177.284 176.300 -0.093 0.000 1.123 149 D CA -0.008 53.955 54.000 -0.062 0.000 0.869 149 D CB 0.827 41.614 40.800 -0.023 0.000 1.032 149 D HN 0.703 nan 8.370 nan 0.000 0.506 150 I N 2.712 123.234 120.570 -0.079 0.000 2.567 150 I HA -0.238 3.932 4.170 -0.000 0.000 0.257 150 I C 1.616 177.766 176.117 0.055 0.000 1.184 150 I CA 0.810 62.072 61.300 -0.063 0.000 1.451 150 I CB 0.340 38.321 38.000 -0.032 0.000 1.089 150 I HN 0.271 nan 8.210 nan 0.000 0.441 151 S N -0.193 115.531 115.700 0.041 0.000 2.377 151 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 151 S C 1.982 176.651 174.600 0.115 0.000 1.030 151 S CA 1.412 59.660 58.200 0.080 0.000 0.970 151 S CB -0.083 63.131 63.200 0.023 0.000 0.830 151 S HN 0.674 nan 8.310 nan 0.000 0.473 152 S N 0.210 115.936 115.700 0.044 0.000 2.501 152 S HA 0.331 4.801 4.470 -0.000 0.000 0.220 152 S C 1.601 176.197 174.600 -0.007 0.000 0.997 152 S CA 0.729 58.951 58.200 0.038 0.000 0.919 152 S CB -0.091 63.120 63.200 0.018 0.000 0.778 152 S HN 0.749 nan 8.310 nan 0.000 0.523 153 G N 1.641 110.360 108.800 -0.135 0.000 2.148 153 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 153 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 153 G C 0.100 174.941 174.900 -0.099 0.000 0.981 153 G CA 0.177 45.121 45.100 -0.261 0.000 0.670 153 G HN 0.688 nan 8.290 nan 0.000 0.528 154 R N -0.038 120.439 120.500 -0.039 0.000 2.343 154 R HA 0.443 4.783 4.340 -0.000 0.000 0.326 154 R C -0.932 175.417 176.300 0.083 0.000 1.055 154 R CA -0.369 55.750 56.100 0.032 0.000 0.961 154 R CB -0.126 30.197 30.300 0.039 0.000 0.978 154 R HN 0.041 nan 8.270 nan 0.000 0.443 155 F N 5.263 125.177 119.950 -0.059 0.000 2.477 155 F HA 0.494 5.021 4.527 -0.000 0.000 0.335 155 F C -0.728 175.037 175.800 -0.058 0.000 1.130 155 F CA -1.154 56.809 58.000 -0.062 0.000 0.948 155 F CB 1.077 40.044 39.000 -0.055 0.000 1.154 155 F HN 0.456 nan 8.300 nan 0.000 0.439 156 R N 5.534 126.166 120.500 0.219 0.000 2.807 156 R HA 0.698 5.038 4.340 -0.000 0.000 0.276 156 R C -1.600 174.675 176.300 -0.041 0.000 0.979 156 R CA -1.076 55.044 56.100 0.033 0.000 0.928 156 R CB 2.825 33.163 30.300 0.065 0.000 1.191 156 R HN 0.816 nan 8.270 nan 0.000 0.471 157 L N -0.133 121.057 121.223 -0.054 0.000 2.455 157 L HA 0.618 4.958 4.340 -0.000 0.000 0.264 157 L C -0.955 175.942 176.870 0.045 0.000 0.968 157 L CA -0.259 54.560 54.840 -0.036 0.000 0.827 157 L CB 2.226 44.212 42.059 -0.121 0.000 1.317 157 L HN 0.878 nan 8.230 nan 0.000 0.407 158 S N 2.026 117.799 115.700 0.122 0.000 2.697 158 S HA 0.616 5.086 4.470 -0.000 0.000 0.289 158 S C -0.894 173.812 174.600 0.178 0.000 1.149 158 S CA -0.837 57.448 58.200 0.141 0.000 0.850 158 S CB 2.105 65.400 63.200 0.159 0.000 1.151 158 S HN 0.747 nan 8.310 nan 0.000 0.491 159 E N 1.073 121.361 120.200 0.146 0.000 3.651 159 E HA 0.294 4.644 4.350 -0.000 0.000 0.220 159 E C -2.800 173.886 176.600 0.144 0.000 1.222 159 E CA -1.642 54.857 56.400 0.164 0.000 1.114 159 E CB 0.879 30.657 29.700 0.129 0.000 1.278 159 E HN 0.397 nan 8.360 nan 0.000 0.412 160 P HA -0.081 nan 4.420 nan 0.000 0.261 160 P C 0.447 177.838 177.300 0.153 0.000 1.183 160 P CA 0.305 63.453 63.100 0.079 0.000 0.761 160 P CB 0.932 32.610 31.700 -0.038 0.000 0.785 161 A N 3.132 126.011 122.820 0.098 0.000 2.119 161 A HA 0.031 4.351 4.320 -0.000 0.000 0.216 161 A C 0.544 178.213 177.584 0.140 0.000 1.152 161 A CA 1.157 53.257 52.037 0.105 0.000 0.708 161 A CB -0.525 18.508 19.000 0.055 0.000 0.805 161 A HN 0.657 nan 8.150 nan 0.000 0.460 162 D N -4.103 116.380 120.400 0.138 0.000 2.665 162 D HA 0.213 4.853 4.640 -0.000 0.000 0.287 162 D C 0.524 176.839 176.300 0.026 0.000 1.266 162 D CA -0.770 53.318 54.000 0.147 0.000 0.830 162 D CB 0.282 41.116 40.800 0.057 0.000 1.356 162 D HN -0.131 nan 8.370 nan 0.000 0.437 163 R N -0.278 120.252 120.500 0.050 0.000 2.113 163 R HA -0.212 4.128 4.340 -0.000 0.000 0.244 163 R C 1.276 177.460 176.300 -0.193 0.000 1.142 163 R CA 2.169 58.200 56.100 -0.115 0.000 0.953 163 R CB -0.088 30.201 30.300 -0.020 0.000 0.860 163 R HN 0.561 nan 8.270 nan 0.000 0.438 164 E N -1.194 118.942 120.200 -0.107 0.000 2.072 164 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 164 E C 1.929 178.456 176.600 -0.121 0.000 0.985 164 E CA 1.779 58.124 56.400 -0.091 0.000 0.801 164 E CB -0.072 29.610 29.700 -0.031 0.000 0.750 164 E HN 0.280 nan 8.360 nan 0.000 0.452 165 T N 0.629 115.110 114.554 -0.121 0.000 2.833 165 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 165 T C 1.746 176.316 174.700 -0.218 0.000 1.054 165 T CA 1.278 63.298 62.100 -0.133 0.000 1.135 165 T CB -0.156 68.661 68.868 -0.085 0.000 0.869 165 T HN 0.067 nan 8.240 nan 0.000 0.466 166 M N 1.699 121.096 119.600 -0.338 0.000 2.123 166 M HA 0.184 4.664 4.480 -0.000 0.000 0.263 166 M C 2.357 178.416 176.300 -0.401 0.000 1.069 166 M CA 1.388 56.392 55.300 -0.494 0.000 1.133 166 M CB -0.747 31.289 32.600 -0.939 0.000 1.356 166 M HN 0.179 nan 8.290 nan 0.000 0.415 167 A N -0.120 122.514 122.820 -0.310 0.000 1.940 167 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 167 A C 2.354 179.827 177.584 -0.186 0.000 1.176 167 A CA 2.107 54.014 52.037 -0.217 0.000 0.631 167 A CB -1.459 17.447 19.000 -0.155 0.000 0.814 167 A HN 0.648 nan 8.150 nan 0.000 0.446 168 A N -0.759 121.956 122.820 -0.174 0.000 1.972 168 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 168 A C 1.975 179.463 177.584 -0.159 0.000 1.169 168 A CA 1.561 53.510 52.037 -0.147 0.000 0.635 168 A CB -0.314 18.609 19.000 -0.128 0.000 0.810 168 A HN 0.515 nan 8.150 nan 0.000 0.446 169 E N -0.183 119.892 120.200 -0.209 0.000 2.112 169 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 169 E C 2.048 178.517 176.600 -0.219 0.000 0.979 169 E CA 0.575 56.852 56.400 -0.204 0.000 0.814 169 E CB -0.252 29.274 29.700 -0.289 0.000 0.762 169 E HN 0.662 nan 8.360 nan 0.000 0.460 170 L N 0.785 121.824 121.223 -0.305 0.000 2.017 170 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 170 L C 2.799 179.608 176.870 -0.102 0.000 1.073 170 L CA 1.391 56.110 54.840 -0.201 0.000 0.745 170 L CB -0.377 41.557 42.059 -0.208 0.000 0.894 170 L HN 0.117 nan 8.230 nan 0.000 0.432 171 Q N 0.464 120.191 119.800 -0.120 0.000 2.119 171 Q HA -0.233 4.107 4.340 -0.000 0.000 0.201 171 Q C 2.259 178.177 176.000 -0.137 0.000 0.972 171 Q CA 1.568 57.308 55.803 -0.106 0.000 0.847 171 Q CB -0.121 28.553 28.738 -0.105 0.000 0.903 171 Q HN 0.264 nan 8.270 nan 0.000 0.433 172 R N -0.500 119.907 120.500 -0.155 0.000 2.073 172 R HA -0.114 4.225 4.340 -0.000 0.000 0.234 172 R C 2.037 178.267 176.300 -0.117 0.000 1.134 172 R CA 2.047 58.022 56.100 -0.209 0.000 0.952 172 R CB -0.412 29.806 30.300 -0.137 0.000 0.850 172 R HN 0.537 nan 8.270 nan 0.000 0.433 173 T N -2.112 112.434 114.554 -0.014 0.000 3.014 173 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 173 T C 0.770 175.501 174.700 0.052 0.000 1.078 173 T CA 0.502 62.641 62.100 0.065 0.000 1.135 173 T CB -0.292 68.691 68.868 0.192 0.000 0.895 173 T HN 0.418 nan 8.240 nan 0.000 0.480 174 N N 2.358 121.074 118.700 0.026 0.000 2.699 174 N HA -0.096 4.644 4.740 -0.000 0.000 0.256 174 N C -2.530 173.002 175.510 0.038 0.000 0.993 174 N CA 0.406 53.466 53.050 0.017 0.000 0.759 174 N CB -0.897 37.590 38.487 -0.001 0.000 0.906 174 N HN 0.405 nan 8.380 nan 0.000 0.541 175 P HA 0.089 nan 4.420 nan 0.000 0.266 175 P C 0.390 177.708 177.300 0.031 0.000 1.195 175 P CA 0.260 63.391 63.100 0.051 0.000 0.768 175 P CB 0.783 32.529 31.700 0.077 0.000 0.838 176 A N 2.267 125.100 122.820 0.021 0.000 2.119 176 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 176 A C 0.888 178.483 177.584 0.018 0.000 1.152 176 A CA 0.966 53.013 52.037 0.017 0.000 0.708 176 A CB -0.358 18.649 19.000 0.012 0.000 0.805 176 A HN 0.694 nan 8.150 nan 0.000 0.460 177 E N -0.817 119.392 120.200 0.014 0.000 2.335 177 E HA 0.539 4.889 4.350 -0.000 0.000 0.280 177 E C -2.084 174.507 176.600 -0.015 0.000 0.918 177 E CA -0.503 55.899 56.400 0.003 0.000 0.765 177 E CB 1.436 31.144 29.700 0.013 0.000 1.218 177 E HN 0.157 nan 8.360 nan 0.000 0.425 178 L N 6.629 127.844 121.223 -0.014 0.000 2.457 178 L HA 0.434 4.774 4.340 -0.000 0.000 0.266 178 L C -1.392 175.495 176.870 0.029 0.000 0.979 178 L CA -0.673 54.178 54.840 0.018 0.000 0.857 178 L CB 0.844 42.934 42.059 0.051 0.000 1.213 178 L HN 0.577 nan 8.230 nan 0.000 0.418 179 L N 5.343 126.544 121.223 -0.038 0.000 2.305 179 L HA 0.407 4.747 4.340 -0.000 0.000 0.281 179 L C -0.649 176.310 176.870 0.150 0.000 1.085 179 L CA -0.590 54.223 54.840 -0.046 0.000 0.813 179 L CB 0.502 42.446 42.059 -0.192 0.000 1.157 179 L HN 0.474 nan 8.230 nan 0.000 0.436 180 Y N 1.392 121.673 120.300 -0.031 0.000 2.545 180 Y HA 0.852 5.402 4.550 -0.000 0.000 0.348 180 Y C -0.260 175.601 175.900 -0.065 0.000 1.002 180 Y CA -1.517 56.501 58.100 -0.137 0.000 1.039 180 Y CB 1.121 39.365 38.460 -0.361 0.000 1.271 180 Y HN 0.610 nan 8.280 nan 0.000 0.467 181 A N 2.039 124.752 122.820 -0.179 0.000 2.332 181 A HA 0.272 4.592 4.320 -0.000 0.000 0.258 181 A C 0.860 178.449 177.584 0.007 0.000 1.087 181 A CA -0.190 51.727 52.037 -0.199 0.000 0.802 181 A CB 0.111 18.912 19.000 -0.332 0.000 1.042 181 A HN 0.988 nan 8.150 nan 0.000 0.489 182 E N 0.516 120.715 120.200 -0.002 0.000 2.085 182 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 182 E C 0.540 177.230 176.600 0.151 0.000 0.994 182 E CA 1.503 57.938 56.400 0.059 0.000 0.801 182 E CB -0.096 29.635 29.700 0.052 0.000 0.743 182 E HN 0.863 nan 8.360 nan 0.000 0.453 183 D N 0.288 120.774 120.400 0.142 0.000 2.319 183 D HA -0.102 4.538 4.640 -0.000 0.000 0.230 183 D C 0.076 176.461 176.300 0.142 0.000 1.094 183 D CA -0.342 53.730 54.000 0.119 0.000 0.856 183 D CB -0.625 40.225 40.800 0.082 0.000 0.915 183 D HN -0.069 nan 8.370 nan 0.000 0.517 184 F N 1.379 121.369 119.950 0.066 0.000 2.612 184 F HA 0.254 4.780 4.527 -0.000 0.000 0.389 184 F C 1.394 177.206 175.800 0.020 0.000 1.055 184 F CA -0.159 57.872 58.000 0.052 0.000 1.232 184 F CB 0.947 40.049 39.000 0.170 0.000 1.044 184 F HN 0.043 nan 8.300 nan 0.000 0.560 185 A N 4.794 127.294 122.820 -0.534 0.000 1.887 185 A HA 0.033 4.353 4.320 -0.000 0.000 0.212 185 A C 1.030 178.358 177.584 -0.426 0.000 1.198 185 A CA 0.449 52.256 52.037 -0.383 0.000 0.628 185 A CB -0.292 18.498 19.000 -0.349 0.000 0.847 185 A HN 0.672 nan 8.150 nan 0.000 0.449 186 E N 0.982 120.732 120.200 -0.749 0.000 2.110 186 E HA 0.127 4.477 4.350 -0.000 0.000 0.300 186 E C 0.228 176.710 176.600 -0.198 0.000 1.278 186 E CA -0.315 55.847 56.400 -0.396 0.000 1.365 186 E CB 0.203 29.765 29.700 -0.230 0.000 1.283 186 E HN 0.404 nan 8.360 nan 0.000 0.490 187 M N 0.218 119.774 119.600 -0.074 0.000 2.460 187 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 187 M C 1.830 178.147 176.300 0.029 0.000 1.071 187 M CA 0.997 56.337 55.300 0.066 0.000 1.096 187 M CB -0.821 31.804 32.600 0.041 0.000 1.408 187 M HN 0.123 nan 8.290 nan 0.000 0.463 188 S N 0.454 116.153 115.700 -0.002 0.000 2.419 188 S HA -0.088 4.382 4.470 -0.000 0.000 0.233 188 S C 1.992 176.588 174.600 -0.006 0.000 1.016 188 S CA 0.872 59.066 58.200 -0.010 0.000 0.974 188 S CB -0.644 62.543 63.200 -0.022 0.000 0.786 188 S HN 0.450 nan 8.310 nan 0.000 0.492 189 L N 1.154 122.389 121.223 0.020 0.000 2.017 189 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 189 L C 2.337 179.201 176.870 -0.011 0.000 1.073 189 L CA 1.475 56.318 54.840 0.006 0.000 0.745 189 L CB -0.430 41.661 42.059 0.053 0.000 0.894 189 L HN 0.473 nan 8.230 nan 0.000 0.432 190 I N -5.327 115.246 120.570 0.004 0.000 4.082 190 I HA 0.110 4.280 4.170 -0.000 0.000 0.337 190 I C 1.739 177.797 176.117 -0.097 0.000 1.352 190 I CA 0.118 61.371 61.300 -0.078 0.000 1.097 190 I CB 0.014 37.904 38.000 -0.183 0.000 1.048 190 I HN 0.110 nan 8.210 nan 0.000 0.393 191 E N 2.300 122.463 120.200 -0.063 0.000 2.085 191 E HA -0.146 4.203 4.350 -0.000 0.000 0.194 191 E C 2.190 178.769 176.600 -0.034 0.000 0.994 191 E CA 1.661 58.029 56.400 -0.053 0.000 0.801 191 E CB -0.117 29.569 29.700 -0.024 0.000 0.743 191 E HN 0.719 nan 8.360 nan 0.000 0.453 192 G N 0.384 109.168 108.800 -0.027 0.000 2.712 192 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.212 192 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.212 192 G C 0.559 175.452 174.900 -0.011 0.000 1.142 192 G CA -0.295 44.797 45.100 -0.014 0.000 0.789 192 G HN 0.010 nan 8.290 nan 0.000 0.535 193 R N 1.082 121.569 120.500 -0.022 0.000 2.543 193 R HA 0.194 4.534 4.340 -0.000 0.000 0.277 193 R C 0.654 176.955 176.300 0.001 0.000 1.074 193 R CA -0.438 55.654 56.100 -0.014 0.000 1.076 193 R CB 0.680 30.964 30.300 -0.025 0.000 0.993 193 R HN 0.361 nan 8.270 nan 0.000 0.459 194 R N 0.716 121.222 120.500 0.010 0.000 2.679 194 R HA 0.151 4.491 4.340 -0.000 0.000 0.269 194 R C 0.299 176.614 176.300 0.025 0.000 1.076 194 R CA 0.438 56.550 56.100 0.021 0.000 1.160 194 R CB 0.314 30.626 30.300 0.020 0.000 1.054 194 R HN 0.783 nan 8.270 nan 0.000 0.507 195 G N 2.035 110.856 108.800 0.034 0.000 2.295 195 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.287 195 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.287 195 G C -0.050 174.876 174.900 0.043 0.000 1.055 195 G CA 0.239 45.361 45.100 0.036 0.000 0.922 195 G HN 0.500 nan 8.290 nan 0.000 0.503 196 L N -0.283 120.982 121.223 0.071 0.000 2.417 196 L HA 0.576 4.916 4.340 -0.000 0.000 0.268 196 L C 0.768 177.727 176.870 0.147 0.000 1.158 196 L CA -0.469 54.458 54.840 0.145 0.000 0.819 196 L CB 0.728 42.892 42.059 0.176 0.000 1.112 196 L HN 0.099 nan 8.230 nan 0.000 0.458 197 R N 2.876 123.457 120.500 0.136 0.000 2.680 197 R HA 0.216 4.556 4.340 -0.000 0.000 0.278 197 R C -0.713 175.414 176.300 -0.289 0.000 1.582 197 R CA -0.689 55.370 56.100 -0.067 0.000 1.177 197 R CB 1.197 31.368 30.300 -0.215 0.000 1.232 197 R HN 0.582 nan 8.270 nan 0.000 0.528 198 R N 2.375 122.625 120.500 -0.416 0.000 2.522 198 R HA 0.140 4.480 4.340 -0.000 0.000 0.284 198 R C -0.567 175.491 176.300 -0.404 0.000 1.032 198 R CA 0.271 55.899 56.100 -0.787 0.000 1.049 198 R CB 0.607 30.650 30.300 -0.429 0.000 0.956 198 R HN 0.234 nan 8.270 nan 0.000 0.422 199 R N 4.804 125.089 120.500 -0.359 0.000 2.686 199 R HA 0.436 4.776 4.340 -0.000 0.000 0.283 199 R C -2.607 173.631 176.300 -0.104 0.000 0.978 199 R CA -2.723 53.271 56.100 -0.176 0.000 0.897 199 R CB 1.419 31.655 30.300 -0.108 0.000 1.192 199 R HN 0.612 nan 8.270 nan 0.000 0.457 200 P HA 0.083 nan 4.420 nan 0.000 0.269 200 P C 0.797 178.012 177.300 -0.141 0.000 1.215 200 P CA -0.269 62.749 63.100 -0.137 0.000 0.780 200 P CB 0.921 32.514 31.700 -0.177 0.000 0.898 201 L N 1.742 122.988 121.223 0.039 0.000 2.131 201 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 201 L C 2.217 179.159 176.870 0.121 0.000 1.092 201 L CA 1.124 56.046 54.840 0.136 0.000 0.759 201 L CB -0.614 41.552 42.059 0.179 0.000 0.903 201 L HN 0.573 nan 8.230 nan 0.000 0.435 202 W N -0.413 120.935 121.300 0.081 0.000 2.525 202 W HA -0.083 4.577 4.660 -0.000 0.000 0.259 202 W C 1.323 177.821 176.519 -0.036 0.000 1.253 202 W CA 0.333 57.690 57.345 0.021 0.000 1.262 202 W CB -0.800 28.665 29.460 0.008 0.000 1.122 202 W HN 0.255 nan 8.180 nan 0.000 0.607 203 E N 0.352 120.169 120.200 -0.639 0.000 2.347 203 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 203 E C 0.775 176.975 176.600 -0.667 0.000 1.008 203 E CA 0.857 56.809 56.400 -0.745 0.000 0.852 203 E CB -0.419 28.694 29.700 -0.978 0.000 0.783 203 E HN 0.265 nan 8.360 nan 0.000 0.505 204 F N 1.123 120.822 119.950 -0.420 0.000 2.645 204 F HA 0.130 4.657 4.527 -0.000 0.000 0.300 204 F C 1.002 176.493 175.800 -0.516 0.000 1.115 204 F CA -0.080 57.560 58.000 -0.601 0.000 1.355 204 F CB 0.368 38.774 39.000 -0.990 0.000 1.026 204 F HN -0.179 nan 8.300 nan 0.000 0.536 205 E N 1.146 121.267 120.200 -0.132 0.000 2.354 205 E HA 0.029 4.379 4.350 -0.000 0.000 0.269 205 E C 1.110 177.677 176.600 -0.055 0.000 1.036 205 E CA -0.031 56.343 56.400 -0.044 0.000 0.876 205 E CB 1.126 30.860 29.700 0.057 0.000 1.009 205 E HN 0.206 nan 8.360 nan 0.000 0.416 206 I N 4.160 124.722 120.570 -0.013 0.000 2.233 206 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 206 I C 1.277 177.398 176.117 0.006 0.000 1.093 206 I CA 1.408 62.709 61.300 0.002 0.000 1.380 206 I CB -0.211 37.820 38.000 0.051 0.000 1.067 206 I HN 0.490 nan 8.210 nan 0.000 0.413 207 D N -0.336 120.076 120.400 0.019 0.000 2.178 207 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 207 D C 2.125 178.430 176.300 0.008 0.000 0.974 207 D CA 1.551 55.561 54.000 0.018 0.000 0.841 207 D CB -0.218 40.597 40.800 0.024 0.000 0.953 207 D HN 0.336 nan 8.370 nan 0.000 0.478 208 T N 0.530 115.088 114.554 0.007 0.000 2.812 208 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 208 T C 2.050 176.732 174.700 -0.029 0.000 1.042 208 T CA 1.232 63.334 62.100 0.002 0.000 1.140 208 T CB -0.177 68.711 68.868 0.033 0.000 0.870 208 T HN 0.167 nan 8.240 nan 0.000 0.445 209 A N 1.886 124.674 122.820 -0.053 0.000 1.883 209 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 209 A C 2.348 179.899 177.584 -0.055 0.000 1.186 209 A CA 1.547 53.538 52.037 -0.078 0.000 0.624 209 A CB -0.552 18.388 19.000 -0.100 0.000 0.822 209 A HN 0.370 nan 8.150 nan 0.000 0.444 210 R N -1.067 119.418 120.500 -0.025 0.000 2.105 210 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 210 R C 2.554 178.847 176.300 -0.012 0.000 1.135 210 R CA 1.586 57.684 56.100 -0.004 0.000 0.967 210 R CB -0.226 30.084 30.300 0.017 0.000 0.861 210 R HN 0.747 nan 8.270 nan 0.000 0.442 211 Q N 0.598 120.387 119.800 -0.019 0.000 2.096 211 Q HA -0.162 4.178 4.340 -0.000 0.000 0.197 211 Q C 1.768 177.740 176.000 -0.047 0.000 0.964 211 Q CA 1.385 57.177 55.803 -0.019 0.000 0.838 211 Q CB 0.238 28.970 28.738 -0.010 0.000 0.906 211 Q HN 0.428 nan 8.270 nan 0.000 0.444 212 Q N 0.092 119.850 119.800 -0.068 0.000 2.123 212 Q HA -0.047 4.293 4.340 -0.000 0.000 0.199 212 Q C 2.230 178.120 176.000 -0.184 0.000 0.966 212 Q CA 0.987 56.728 55.803 -0.103 0.000 0.845 212 Q CB 0.096 28.776 28.738 -0.096 0.000 0.907 212 Q HN 0.328 nan 8.270 nan 0.000 0.439 213 L N 0.613 121.719 121.223 -0.195 0.000 2.056 213 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 213 L C 2.012 178.666 176.870 -0.360 0.000 1.078 213 L CA 0.707 55.325 54.840 -0.370 0.000 0.749 213 L CB -0.362 41.583 42.059 -0.191 0.000 0.901 213 L HN 0.294 nan 8.230 nan 0.000 0.433 214 N N 0.007 118.655 118.700 -0.086 0.000 2.166 214 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 214 N C 1.810 177.319 175.510 -0.002 0.000 1.019 214 N CA 1.166 54.240 53.050 0.039 0.000 0.856 214 N CB -0.142 38.385 38.487 0.067 0.000 0.993 214 N HN 0.165 nan 8.380 nan 0.000 0.426 215 L N 1.797 122.979 121.223 -0.069 0.000 2.056 215 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 215 L C 2.427 179.245 176.870 -0.087 0.000 1.078 215 L CA 1.616 56.423 54.840 -0.055 0.000 0.749 215 L CB -0.902 41.122 42.059 -0.058 0.000 0.901 215 L HN 0.044 nan 8.230 nan 0.000 0.433 216 Q N -0.737 118.926 119.800 -0.229 0.000 2.096 216 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 216 Q C 1.520 177.452 176.000 -0.114 0.000 0.982 216 Q CA 2.055 57.693 55.803 -0.274 0.000 0.850 216 Q CB -0.298 28.112 28.738 -0.547 0.000 0.901 216 Q HN 0.498 nan 8.270 nan 0.000 0.422 217 F N -1.033 118.949 119.950 0.054 0.000 2.693 217 F HA 0.404 4.931 4.527 -0.000 0.000 0.303 217 F C 1.607 177.487 175.800 0.134 0.000 1.097 217 F CA 0.105 58.169 58.000 0.107 0.000 1.330 217 F CB -0.071 39.021 39.000 0.152 0.000 1.067 217 F HN 0.204 nan 8.300 nan 0.000 0.565 218 G N 0.998 109.928 108.800 0.217 0.000 2.180 218 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 218 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 218 G C 0.442 175.436 174.900 0.158 0.000 0.989 218 G CA 0.736 45.928 45.100 0.154 0.000 0.692 218 G HN 0.533 nan 8.290 nan 0.000 0.526 219 T N -3.027 111.658 114.554 0.218 0.000 2.944 219 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 219 T C 1.353 176.131 174.700 0.130 0.000 1.010 219 T CA 0.008 62.217 62.100 0.182 0.000 1.025 219 T CB 1.709 70.747 68.868 0.284 0.000 1.079 219 T HN 0.573 nan 8.240 nan 0.000 0.516 220 R N 0.374 120.929 120.500 0.091 0.000 2.156 220 R HA 0.257 4.597 4.340 -0.000 0.000 0.207 220 R C -0.227 176.120 176.300 0.078 0.000 1.040 220 R CA 0.424 56.565 56.100 0.069 0.000 1.013 220 R CB -0.323 30.003 30.300 0.043 0.000 0.931 220 R HN 0.770 nan 8.270 nan 0.000 0.465 221 D N -0.740 119.715 120.400 0.092 0.000 2.652 221 D HA 0.209 4.849 4.640 -0.000 0.000 0.285 221 D C -0.060 176.336 176.300 0.160 0.000 1.173 221 D CA -0.946 53.116 54.000 0.103 0.000 0.981 221 D CB 0.849 41.686 40.800 0.062 0.000 1.440 221 D HN -0.004 nan 8.370 nan 0.000 0.485 222 L N 0.716 122.045 121.223 0.177 0.000 2.818 222 L HA 0.244 4.584 4.340 -0.000 0.000 0.243 222 L C 1.270 178.246 176.870 0.177 0.000 1.185 222 L CA -0.257 54.766 54.840 0.305 0.000 0.988 222 L CB 0.472 42.703 42.059 0.285 0.000 1.292 222 L HN 0.309 nan 8.230 nan 0.000 0.519 223 V N 0.623 120.570 119.914 0.054 0.000 2.407 223 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 223 V C 2.460 178.506 176.094 -0.080 0.000 1.055 223 V CA 2.191 64.490 62.300 -0.002 0.000 1.049 223 V CB -0.708 31.106 31.823 -0.015 0.000 0.662 223 V HN 0.638 nan 8.190 nan 0.000 0.455 224 G N -1.349 107.320 108.800 -0.218 0.000 2.625 224 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.214 224 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.214 224 G C 1.071 175.651 174.900 -0.534 0.000 1.132 224 G CA 0.301 45.162 45.100 -0.398 0.000 0.782 224 G HN 0.544 nan 8.290 nan 0.000 0.538 225 F N -0.320 119.586 119.950 -0.073 0.000 2.704 225 F HA 0.346 4.873 4.527 -0.000 0.000 0.304 225 F C 1.855 177.610 175.800 -0.074 0.000 1.094 225 F CA -0.296 57.640 58.000 -0.107 0.000 1.275 225 F CB 0.361 39.258 39.000 -0.171 0.000 1.073 225 F HN 0.146 nan 8.300 nan 0.000 0.586 226 G N 1.254 110.105 108.800 0.086 0.000 2.221 226 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.265 226 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.265 226 G C 0.560 175.494 174.900 0.057 0.000 1.041 226 G CA 0.583 45.713 45.100 0.050 0.000 0.807 226 G HN 0.722 nan 8.290 nan 0.000 0.502 227 V N -3.358 116.605 119.914 0.081 0.000 3.252 227 V HA 0.578 4.698 4.120 -0.000 0.000 0.320 227 V C 1.542 177.674 176.094 0.064 0.000 1.459 227 V CA 1.210 63.545 62.300 0.058 0.000 1.095 227 V CB 0.867 32.707 31.823 0.029 0.000 0.997 227 V HN 0.270 nan 8.190 nan 0.000 0.469 228 E N 3.772 124.014 120.200 0.071 0.000 2.153 228 E HA -0.186 4.163 4.350 -0.000 0.000 0.194 228 E C 1.409 178.042 176.600 0.054 0.000 0.988 228 E CA 1.949 58.389 56.400 0.067 0.000 0.811 228 E CB -0.117 29.618 29.700 0.059 0.000 0.746 228 E HN 0.910 nan 8.360 nan 0.000 0.466 229 N N -0.169 118.560 118.700 0.048 0.000 2.458 229 N HA 0.198 4.938 4.740 -0.000 0.000 0.274 229 N C -0.915 174.626 175.510 0.052 0.000 1.242 229 N CA 0.252 53.330 53.050 0.047 0.000 0.904 229 N CB 0.873 39.382 38.487 0.037 0.000 1.206 229 N HN 0.109 nan 8.380 nan 0.000 0.510 230 A N 1.078 123.934 122.820 0.059 0.000 3.218 230 A HA 0.424 4.744 4.320 -0.000 0.000 0.321 230 A C -1.541 176.098 177.584 0.091 0.000 1.012 230 A CA -1.089 50.990 52.037 0.070 0.000 0.948 230 A CB 0.754 19.790 19.000 0.060 0.000 1.050 230 A HN 0.131 nan 8.150 nan 0.000 0.492 231 P HA -0.202 nan 4.420 nan 0.000 0.218 231 P C 1.365 178.784 177.300 0.198 0.000 1.149 231 P CA 0.998 64.172 63.100 0.123 0.000 0.817 231 P CB 0.144 31.914 31.700 0.117 0.000 0.785 232 R N -0.217 120.431 120.500 0.246 0.000 2.091 232 R HA -0.074 4.266 4.340 -0.000 0.000 0.238 232 R C 2.744 179.277 176.300 0.387 0.000 1.136 232 R CA 1.762 58.110 56.100 0.415 0.000 0.959 232 R CB -1.475 28.996 30.300 0.285 0.000 0.856 232 R HN 0.257 nan 8.270 nan 0.000 0.437 233 G N 1.235 110.175 108.800 0.234 0.000 2.418 233 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 233 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 233 G C 1.479 176.441 174.900 0.103 0.000 1.158 233 G CA 0.393 45.597 45.100 0.174 0.000 0.771 233 G HN 0.121 nan 8.290 nan 0.000 0.545 234 L N 0.070 121.335 121.223 0.071 0.000 2.093 234 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 234 L C 2.987 179.842 176.870 -0.025 0.000 1.085 234 L CA 0.563 55.405 54.840 0.004 0.000 0.755 234 L CB -0.480 41.588 42.059 0.016 0.000 0.904 234 L HN 0.248 nan 8.230 nan 0.000 0.435 235 C N -0.269 119.027 119.300 -0.007 0.000 2.425 235 C HA -0.121 4.339 4.460 -0.000 0.000 0.277 235 C C 3.129 178.021 174.990 -0.163 0.000 1.280 235 C CA 0.745 59.662 59.018 -0.168 0.000 1.744 235 C CB -0.998 26.514 27.740 -0.380 0.000 1.989 235 C HN 0.614 nan 8.230 nan 0.000 0.491 236 A N 0.410 123.254 122.820 0.040 0.000 1.898 236 A HA 0.144 4.463 4.320 -0.000 0.000 0.216 236 A C 2.344 179.918 177.584 -0.016 0.000 1.181 236 A CA 1.821 53.935 52.037 0.129 0.000 0.620 236 A CB -0.806 18.363 19.000 0.282 0.000 0.819 236 A HN 0.550 nan 8.150 nan 0.000 0.442 237 A N -0.572 122.238 122.820 -0.016 0.000 2.015 237 A HA 0.181 4.501 4.320 -0.000 0.000 0.219 237 A C 2.275 179.874 177.584 0.025 0.000 1.163 237 A CA 1.744 53.791 52.037 0.017 0.000 0.646 237 A CB -1.052 17.841 19.000 -0.177 0.000 0.806 237 A HN 0.647 nan 8.150 nan 0.000 0.448 238 G N -1.167 107.567 108.800 -0.109 0.000 2.396 238 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 238 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 238 G C 1.758 176.507 174.900 -0.251 0.000 1.166 238 G CA 1.128 46.135 45.100 -0.154 0.000 0.793 238 G HN 0.617 nan 8.290 nan 0.000 0.533 239 C N 0.279 119.310 119.300 -0.448 0.000 2.432 239 C HA 0.103 4.562 4.460 -0.000 0.000 0.277 239 C C 2.728 177.527 174.990 -0.318 0.000 1.249 239 C CA 1.037 59.688 59.018 -0.612 0.000 1.725 239 C CB -1.084 25.857 27.740 -1.332 0.000 2.028 239 C HN 0.409 nan 8.230 nan 0.000 0.477 240 L N 0.314 121.417 121.223 -0.201 0.000 2.079 240 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 240 L C 2.406 179.240 176.870 -0.060 0.000 1.081 240 L CA 1.924 56.712 54.840 -0.086 0.000 0.752 240 L CB -0.512 41.538 42.059 -0.014 0.000 0.896 240 L HN 0.494 nan 8.230 nan 0.000 0.433 241 L N -0.581 120.611 121.223 -0.052 0.000 2.044 241 L HA -0.171 4.169 4.340 -0.000 0.000 0.205 241 L C 2.565 179.378 176.870 -0.095 0.000 1.075 241 L CA 1.562 56.350 54.840 -0.086 0.000 0.747 241 L CB -0.783 41.259 42.059 -0.029 0.000 0.903 241 L HN 0.261 nan 8.230 nan 0.000 0.435 242 Q N -0.885 118.856 119.800 -0.097 0.000 2.133 242 Q HA -0.309 4.031 4.340 -0.000 0.000 0.208 242 Q C 2.238 178.204 176.000 -0.058 0.000 0.991 242 Q CA 2.477 58.227 55.803 -0.089 0.000 0.867 242 Q CB -0.862 27.802 28.738 -0.122 0.000 0.911 242 Q HN 0.698 nan 8.270 nan 0.000 0.417 243 Y N 0.557 120.756 120.300 -0.168 0.000 2.200 243 Y HA -0.121 4.429 4.550 -0.000 0.000 0.290 243 Y C 2.189 178.019 175.900 -0.116 0.000 1.137 243 Y CA 1.368 59.384 58.100 -0.141 0.000 1.163 243 Y CB -0.343 38.026 38.460 -0.152 0.000 0.988 243 Y HN 0.104 nan 8.280 nan 0.000 0.518 244 A N 0.589 123.372 122.820 -0.060 0.000 1.883 244 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 244 A C 2.228 179.710 177.584 -0.170 0.000 1.186 244 A CA 2.191 54.148 52.037 -0.133 0.000 0.624 244 A CB -0.641 18.280 19.000 -0.132 0.000 0.822 244 A HN 0.511 nan 8.150 nan 0.000 0.444 245 K N -0.847 119.471 120.400 -0.137 0.000 2.057 245 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 245 K C 1.876 178.400 176.600 -0.126 0.000 1.049 245 K CA 1.538 57.758 56.287 -0.112 0.000 0.931 245 K CB -0.234 32.213 32.500 -0.089 0.000 0.714 245 K HN 0.547 nan 8.250 nan 0.000 0.440 246 D N 0.124 120.427 120.400 -0.163 0.000 2.144 246 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 246 D C 1.742 177.917 176.300 -0.208 0.000 0.984 246 D CA 1.777 55.678 54.000 -0.165 0.000 0.834 246 D CB -0.008 40.688 40.800 -0.174 0.000 0.955 246 D HN 0.271 nan 8.370 nan 0.000 0.465 247 T N -2.701 111.664 114.554 -0.316 0.000 2.995 247 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 247 T C 1.634 176.230 174.700 -0.174 0.000 1.091 247 T CA 0.625 62.551 62.100 -0.291 0.000 1.128 247 T CB 0.042 68.683 68.868 -0.379 0.000 0.891 247 T HN 0.052 nan 8.240 nan 0.000 0.492 248 Q N 0.264 119.980 119.800 -0.139 0.000 2.390 248 Q HA 0.232 4.572 4.340 -0.000 0.000 0.216 248 Q C 0.474 176.434 176.000 -0.067 0.000 0.916 248 Q CA 0.138 55.887 55.803 -0.090 0.000 0.911 248 Q CB 0.151 28.847 28.738 -0.071 0.000 1.035 248 Q HN 0.389 nan 8.270 nan 0.000 0.541 249 R N 0.615 121.075 120.500 -0.067 0.000 3.333 249 R HA -0.116 4.224 4.340 -0.000 0.000 0.256 249 R C -0.621 175.660 176.300 -0.032 0.000 1.010 249 R CA 0.719 56.792 56.100 -0.045 0.000 0.680 249 R CB -2.806 27.472 30.300 -0.038 0.000 1.102 249 R HN 0.212 nan 8.270 nan 0.000 0.440 250 T N -0.690 113.844 114.554 -0.033 0.000 2.889 250 T HA 0.305 4.655 4.350 -0.000 0.000 0.315 250 T C -0.212 174.477 174.700 -0.019 0.000 1.291 250 T CA 0.033 62.120 62.100 -0.022 0.000 1.028 250 T CB 1.860 70.713 68.868 -0.025 0.000 1.235 250 T HN 0.267 nan 8.240 nan 0.000 0.491 251 T N 1.284 115.832 114.554 -0.010 0.000 2.900 251 T HA 0.533 4.883 4.350 -0.000 0.000 0.307 251 T C 0.099 174.811 174.700 0.020 0.000 1.065 251 T CA -0.497 61.603 62.100 -0.000 0.000 1.105 251 T CB 0.058 68.929 68.868 0.005 0.000 0.979 251 T HN 0.412 nan 8.240 nan 0.000 0.544 252 L N 3.378 124.632 121.223 0.051 0.000 2.502 252 L HA 0.305 4.645 4.340 -0.000 0.000 0.247 252 L C -1.605 175.393 176.870 0.213 0.000 1.180 252 L CA -1.950 52.989 54.840 0.166 0.000 0.956 252 L CB 1.418 43.537 42.059 0.100 0.000 1.282 252 L HN 0.539 nan 8.230 nan 0.000 0.470 253 P HA -0.136 nan 4.420 nan 0.000 0.229 253 P C 1.095 178.516 177.300 0.202 0.000 1.160 253 P CA 1.062 64.247 63.100 0.142 0.000 0.777 253 P CB -0.028 31.711 31.700 0.065 0.000 0.814 254 H N -0.408 118.663 119.070 0.002 0.000 2.546 254 H HA 0.125 4.681 4.556 -0.000 0.000 0.277 254 H C 0.650 175.999 175.328 0.035 0.000 1.004 254 H CA -0.244 55.809 56.048 0.008 0.000 1.231 254 H CB -1.346 28.403 29.762 -0.021 0.000 1.382 254 H HN 0.153 nan 8.280 nan 0.000 0.580 255 I N 3.395 123.890 120.570 -0.124 0.000 2.276 255 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 255 I C 0.975 177.215 176.117 0.206 0.000 1.109 255 I CA -0.201 61.058 61.300 -0.068 0.000 1.229 255 I CB 0.526 38.418 38.000 -0.180 0.000 1.452 255 I HN 0.226 nan 8.210 nan 0.000 0.497 256 R N 2.578 123.191 120.500 0.188 0.000 2.476 256 R HA 0.420 4.760 4.340 -0.000 0.000 0.276 256 R C 0.159 176.406 176.300 -0.088 0.000 0.941 256 R CA -0.265 55.977 56.100 0.237 0.000 1.088 256 R CB 0.809 31.206 30.300 0.161 0.000 1.216 256 R HN 0.387 nan 8.270 nan 0.000 0.533 257 S N 0.310 115.736 115.700 -0.457 0.000 2.543 257 S HA 0.554 5.024 4.470 -0.000 0.000 0.274 257 S C -1.785 172.293 174.600 -0.869 0.000 1.149 257 S CA -0.740 56.928 58.200 -0.887 0.000 0.866 257 S CB 1.767 64.865 63.200 -0.169 0.000 1.111 257 S HN 0.298 nan 8.310 nan 0.000 0.457 258 I N 2.224 122.101 120.570 -1.154 0.000 2.769 258 I HA 0.649 4.819 4.170 -0.000 0.000 0.298 258 I C -0.910 175.032 176.117 -0.293 0.000 1.128 258 I CA -0.153 60.796 61.300 -0.585 0.000 1.031 258 I CB 2.411 39.969 38.000 -0.736 0.000 1.235 258 I HN 0.638 nan 8.210 nan 0.000 0.423 259 T N 6.807 121.270 114.554 -0.152 0.000 2.908 259 T HA 0.474 4.824 4.350 -0.000 0.000 0.290 259 T C -0.805 173.866 174.700 -0.048 0.000 1.034 259 T CA -0.538 61.532 62.100 -0.050 0.000 1.010 259 T CB 1.747 70.612 68.868 -0.005 0.000 1.068 259 T HN 0.568 nan 8.240 nan 0.000 0.481 260 M N 1.997 121.588 119.600 -0.014 0.000 2.364 260 M HA 0.462 4.942 4.480 -0.000 0.000 0.334 260 M C -1.027 175.281 176.300 0.013 0.000 1.107 260 M CA -0.440 54.859 55.300 -0.001 0.000 0.988 260 M CB 1.192 33.797 32.600 0.009 0.000 1.673 260 M HN 0.518 nan 8.290 nan 0.000 0.441 261 E N 4.145 124.360 120.200 0.026 0.000 2.113 261 E HA 0.378 4.728 4.350 -0.000 0.000 0.273 261 E C -1.158 175.457 176.600 0.025 0.000 0.924 261 E CA -0.481 55.936 56.400 0.027 0.000 0.764 261 E CB 1.585 31.312 29.700 0.045 0.000 1.104 261 E HN 0.585 nan 8.360 nan 0.000 0.406 262 R N 1.893 122.398 120.500 0.008 0.000 2.540 262 R HA 0.097 4.437 4.340 -0.000 0.000 0.287 262 R C 1.089 177.382 176.300 -0.011 0.000 0.980 262 R CA -0.391 55.710 56.100 0.003 0.000 0.966 262 R CB 1.041 31.338 30.300 -0.006 0.000 1.106 262 R HN 0.622 nan 8.270 nan 0.000 0.480 263 E N 1.705 121.899 120.200 -0.010 0.000 2.095 263 E HA -0.362 3.988 4.350 -0.000 0.000 0.212 263 E C 1.561 178.133 176.600 -0.046 0.000 1.044 263 E CA 2.174 58.559 56.400 -0.025 0.000 0.857 263 E CB 0.168 29.858 29.700 -0.017 0.000 0.764 263 E HN 0.590 nan 8.360 nan 0.000 0.462 264 Q N 0.020 119.790 119.800 -0.050 0.000 2.436 264 Q HA -0.137 4.203 4.340 -0.000 0.000 0.209 264 Q C 0.493 176.443 176.000 -0.083 0.000 0.965 264 Q CA 1.265 57.023 55.803 -0.076 0.000 0.910 264 Q CB 0.152 28.843 28.738 -0.079 0.000 0.980 264 Q HN 0.331 nan 8.270 nan 0.000 0.491 265 D N 1.450 121.812 120.400 -0.064 0.000 2.349 265 D HA 0.026 4.665 4.640 -0.000 0.000 0.224 265 D C 0.272 176.528 176.300 -0.073 0.000 1.029 265 D CA 0.651 54.611 54.000 -0.066 0.000 0.879 265 D CB 0.385 41.157 40.800 -0.047 0.000 0.906 265 D HN 0.389 nan 8.370 nan 0.000 0.528 266 S N -0.798 114.855 115.700 -0.078 0.000 2.588 266 S HA 0.528 4.998 4.470 -0.000 0.000 0.275 266 S C -0.451 174.083 174.600 -0.110 0.000 1.130 266 S CA -0.969 57.183 58.200 -0.081 0.000 0.855 266 S CB 1.710 64.881 63.200 -0.048 0.000 1.116 266 S HN -0.043 nan 8.310 nan 0.000 0.472 267 I N 1.908 122.405 120.570 -0.122 0.000 2.452 267 I HA 0.219 4.388 4.170 -0.000 0.000 0.287 267 I C -0.310 175.735 176.117 -0.121 0.000 1.079 267 I CA -0.354 60.856 61.300 -0.149 0.000 1.387 267 I CB 0.286 38.190 38.000 -0.160 0.000 1.404 267 I HN 0.531 nan 8.210 nan 0.000 0.522 268 I N 7.642 128.125 120.570 -0.146 0.000 2.519 268 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 268 I C 0.038 176.025 176.117 -0.217 0.000 1.047 268 I CA 0.191 61.399 61.300 -0.155 0.000 1.381 268 I CB 0.671 38.581 38.000 -0.151 0.000 1.417 268 I HN 0.464 nan 8.210 nan 0.000 0.540 269 M N 5.063 124.557 119.600 -0.178 0.000 2.224 269 M HA 0.252 4.732 4.480 -0.000 0.000 0.281 269 M C -1.109 175.102 176.300 -0.149 0.000 1.025 269 M CA -0.865 54.320 55.300 -0.191 0.000 0.954 269 M CB 2.014 34.548 32.600 -0.109 0.000 1.639 269 M HN 0.589 nan 8.290 nan 0.000 0.461 270 D N 1.826 122.133 120.400 -0.155 0.000 2.371 270 D HA 0.444 5.084 4.640 -0.000 0.000 0.242 270 D C 1.103 177.362 176.300 -0.068 0.000 1.218 270 D CA -0.343 53.601 54.000 -0.093 0.000 0.945 270 D CB 0.889 41.661 40.800 -0.047 0.000 1.137 270 D HN 0.591 nan 8.370 nan 0.000 0.464 271 A N 0.782 123.567 122.820 -0.059 0.000 1.883 271 A HA -0.076 4.243 4.320 -0.000 0.000 0.217 271 A C 2.261 179.831 177.584 -0.023 0.000 1.186 271 A CA 2.260 54.267 52.037 -0.050 0.000 0.624 271 A CB -1.562 17.408 19.000 -0.050 0.000 0.822 271 A HN 0.722 nan 8.150 nan 0.000 0.444 272 A N -1.105 121.710 122.820 -0.009 0.000 1.908 272 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 272 A C 2.320 179.913 177.584 0.016 0.000 1.181 272 A CA 2.460 54.502 52.037 0.009 0.000 0.627 272 A CB -1.371 17.642 19.000 0.021 0.000 0.818 272 A HN 0.451 nan 8.150 nan 0.000 0.445 273 T N -0.922 113.637 114.554 0.009 0.000 2.708 273 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 273 T C 2.094 176.801 174.700 0.013 0.000 1.037 273 T CA 1.560 63.664 62.100 0.007 0.000 1.146 273 T CB -0.219 68.626 68.868 -0.039 0.000 0.865 273 T HN 0.511 nan 8.240 nan 0.000 0.435 274 R N 0.506 121.008 120.500 0.004 0.000 2.083 274 R HA -0.025 4.314 4.340 -0.000 0.000 0.237 274 R C 2.752 179.088 176.300 0.059 0.000 1.137 274 R CA 1.406 57.528 56.100 0.037 0.000 0.951 274 R CB -0.080 30.215 30.300 -0.008 0.000 0.851 274 R HN 0.280 nan 8.270 nan 0.000 0.434 275 R N -0.118 120.403 120.500 0.035 0.000 2.073 275 R HA -0.080 4.260 4.340 -0.000 0.000 0.234 275 R C 1.924 178.252 176.300 0.047 0.000 1.134 275 R CA 1.681 57.805 56.100 0.040 0.000 0.952 275 R CB -0.244 30.070 30.300 0.023 0.000 0.850 275 R HN 0.258 nan 8.270 nan 0.000 0.433 276 N N 0.583 119.309 118.700 0.042 0.000 2.244 276 N HA -0.109 4.630 4.740 -0.000 0.000 0.183 276 N C 1.574 177.122 175.510 0.063 0.000 1.016 276 N CA 0.981 54.060 53.050 0.048 0.000 0.866 276 N CB -0.062 38.451 38.487 0.044 0.000 0.980 276 N HN 0.227 nan 8.380 nan 0.000 0.430 277 L N 0.549 121.809 121.223 0.062 0.000 2.492 277 L HA 0.081 4.421 4.340 -0.000 0.000 0.223 277 L C -0.154 176.757 176.870 0.069 0.000 1.132 277 L CA 0.179 55.058 54.840 0.065 0.000 0.850 277 L CB -0.369 41.717 42.059 0.046 0.000 0.966 277 L HN 0.132 nan 8.230 nan 0.000 0.454 278 E N 0.133 120.376 120.200 0.072 0.000 2.230 278 E HA -0.255 4.095 4.350 -0.000 0.000 0.206 278 E C 0.971 177.601 176.600 0.050 0.000 1.309 278 E CA -0.016 56.425 56.400 0.068 0.000 0.697 278 E CB -1.128 28.616 29.700 0.074 0.000 1.146 278 E HN 0.510 nan 8.360 nan 0.000 0.363 279 I N -0.376 120.226 120.570 0.053 0.000 2.086 279 I HA -0.217 3.953 4.170 -0.000 0.000 0.233 279 I C 2.545 178.625 176.117 -0.062 0.000 1.060 279 I CA 2.106 63.388 61.300 -0.029 0.000 1.326 279 I CB -0.566 37.384 38.000 -0.083 0.000 1.067 279 I HN 0.378 nan 8.210 nan 0.000 0.398 280 T N -2.965 111.575 114.554 -0.022 0.000 3.023 280 T HA 0.078 4.427 4.350 -0.000 0.000 0.249 280 T C 0.867 175.599 174.700 0.053 0.000 1.050 280 T CA -0.076 62.031 62.100 0.011 0.000 1.088 280 T CB 0.278 69.186 68.868 0.066 0.000 0.946 280 T HN 0.183 nan 8.240 nan 0.000 0.480 281 Q N 2.130 121.978 119.800 0.080 0.000 2.340 281 Q HA 0.444 4.784 4.340 -0.000 0.000 0.268 281 Q C -1.098 174.935 176.000 0.054 0.000 1.031 281 Q CA -0.841 54.999 55.803 0.062 0.000 0.804 281 Q CB 1.613 30.391 28.738 0.068 0.000 1.286 281 Q HN 0.547 nan 8.270 nan 0.000 0.448 282 N N 1.698 120.423 118.700 0.042 0.000 2.408 282 N HA 0.090 4.829 4.740 -0.000 0.000 0.260 282 N C 0.730 176.262 175.510 0.036 0.000 1.242 282 N CA -0.329 52.745 53.050 0.040 0.000 0.959 282 N CB 0.617 39.126 38.487 0.036 0.000 1.201 282 N HN 0.616 nan 8.380 nan 0.000 0.511 283 L N -1.194 120.049 121.223 0.034 0.000 2.191 283 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 283 L C 2.017 178.901 176.870 0.023 0.000 1.103 283 L CA 1.415 56.272 54.840 0.029 0.000 0.769 283 L CB -0.635 41.440 42.059 0.027 0.000 0.908 283 L HN 0.828 nan 8.230 nan 0.000 0.438 284 A N -0.559 122.275 122.820 0.022 0.000 2.259 284 A HA 0.331 4.651 4.320 -0.000 0.000 0.208 284 A C 1.761 179.356 177.584 0.019 0.000 1.201 284 A CA 0.714 52.762 52.037 0.019 0.000 0.824 284 A CB -0.450 18.560 19.000 0.018 0.000 0.838 284 A HN 0.535 nan 8.150 nan 0.000 0.485 285 G N -2.041 106.772 108.800 0.021 0.000 2.199 285 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.254 285 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.254 285 G C 0.827 175.739 174.900 0.021 0.000 0.982 285 G CA 0.351 45.463 45.100 0.021 0.000 0.632 285 G HN 1.352 nan 8.290 nan 0.000 0.529 286 G N -1.027 107.785 108.800 0.021 0.000 2.525 286 G HA2 0.694 4.654 3.960 -0.000 0.000 0.287 286 G HA3 0.694 4.654 3.960 -0.000 0.000 0.287 286 G C 0.982 175.895 174.900 0.022 0.000 1.350 286 G CA 0.680 45.792 45.100 0.019 0.000 1.039 286 G HN 1.318 nan 8.290 nan 0.000 0.513 287 A N -1.397 121.433 122.820 0.018 0.000 2.382 287 A HA 0.391 4.711 4.320 -0.000 0.000 0.228 287 A C 0.825 178.418 177.584 0.016 0.000 1.217 287 A CA 0.046 52.094 52.037 0.017 0.000 0.923 287 A CB 0.100 19.107 19.000 0.011 0.000 0.979 287 A HN 0.585 nan 8.150 nan 0.000 0.515 288 E N 0.651 120.861 120.200 0.017 0.000 2.345 288 E HA 0.223 4.573 4.350 -0.000 0.000 0.259 288 E C -0.442 176.173 176.600 0.025 0.000 1.117 288 E CA -0.767 55.643 56.400 0.017 0.000 0.913 288 E CB 0.201 29.910 29.700 0.015 0.000 1.057 288 E HN 0.393 nan 8.360 nan 0.000 0.432 289 N N 0.617 119.334 118.700 0.027 0.000 2.714 289 N HA -0.195 4.545 4.740 -0.000 0.000 0.252 289 N C -0.760 174.779 175.510 0.049 0.000 1.014 289 N CA 0.530 53.603 53.050 0.038 0.000 0.735 289 N CB -0.744 37.765 38.487 0.036 0.000 0.924 289 N HN 0.347 nan 8.380 nan 0.000 0.540 290 T N -0.372 114.207 114.554 0.041 0.000 2.907 290 T HA 0.450 4.800 4.350 -0.000 0.000 0.290 290 T C 1.047 175.763 174.700 0.027 0.000 1.066 290 T CA -0.683 61.440 62.100 0.038 0.000 1.012 290 T CB 1.990 70.873 68.868 0.026 0.000 1.184 290 T HN 0.129 nan 8.240 nan 0.000 0.522 291 L N 2.572 123.801 121.223 0.010 0.000 2.072 291 L HA 0.264 4.604 4.340 -0.000 0.000 0.205 291 L C 2.522 179.387 176.870 -0.009 0.000 1.079 291 L CA 2.447 57.281 54.840 -0.009 0.000 0.752 291 L CB -0.973 41.065 42.059 -0.035 0.000 0.906 291 L HN 0.782 nan 8.230 nan 0.000 0.436 292 A N -0.739 122.068 122.820 -0.022 0.000 1.940 292 A HA -0.227 4.092 4.320 -0.000 0.000 0.219 292 A C 2.471 180.049 177.584 -0.011 0.000 1.176 292 A CA 1.996 54.019 52.037 -0.024 0.000 0.631 292 A CB -1.112 17.865 19.000 -0.039 0.000 0.814 292 A HN 0.673 nan 8.150 nan 0.000 0.446 293 S N -0.666 115.034 115.700 -0.001 0.000 2.399 293 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 293 S C 1.677 176.279 174.600 0.004 0.000 1.022 293 S CA 1.455 59.656 58.200 0.002 0.000 0.983 293 S CB -0.639 62.566 63.200 0.009 0.000 0.803 293 S HN 0.244 nan 8.310 nan 0.000 0.480 294 V N 1.323 121.244 119.914 0.012 0.000 2.446 294 V HA 0.158 4.278 4.120 -0.000 0.000 0.244 294 V C 2.368 178.473 176.094 0.018 0.000 1.039 294 V CA 1.167 63.478 62.300 0.018 0.000 1.045 294 V CB -0.516 31.329 31.823 0.036 0.000 0.681 294 V HN 0.441 nan 8.190 nan 0.000 0.459 295 L N -0.267 120.971 121.223 0.025 0.000 2.375 295 L HA 0.108 4.448 4.340 -0.000 0.000 0.215 295 L C 0.972 177.841 176.870 -0.002 0.000 1.108 295 L CA 0.607 55.465 54.840 0.031 0.000 0.830 295 L CB -0.041 42.050 42.059 0.053 0.000 0.959 295 L HN 0.308 nan 8.230 nan 0.000 0.457 296 D N -0.127 120.263 120.400 -0.016 0.000 2.639 296 D HA 0.083 4.723 4.640 -0.000 0.000 0.233 296 D C -0.109 176.171 176.300 -0.034 0.000 1.161 296 D CA -0.295 53.684 54.000 -0.035 0.000 1.003 296 D CB 0.100 40.875 40.800 -0.042 0.000 1.034 296 D HN 0.064 nan 8.370 nan 0.000 0.514 297 C N 3.015 122.294 119.300 -0.035 0.000 2.365 297 C HA 0.231 4.691 4.460 -0.000 0.000 0.386 297 C C 1.083 176.049 174.990 -0.041 0.000 1.357 297 C CA -0.611 58.386 59.018 -0.034 0.000 1.747 297 C CB -2.099 25.622 27.740 -0.032 0.000 2.487 297 C HN 0.548 nan 8.230 nan 0.000 0.585 298 T N -1.511 113.012 114.554 -0.052 0.000 2.802 298 T HA 0.298 4.648 4.350 -0.000 0.000 0.305 298 T C 1.067 175.740 174.700 -0.046 0.000 1.053 298 T CA 0.070 62.135 62.100 -0.060 0.000 1.058 298 T CB 1.104 69.922 68.868 -0.084 0.000 0.988 298 T HN 0.464 nan 8.240 nan 0.000 0.539 299 V N -2.557 117.331 119.914 -0.042 0.000 3.605 299 V HA 0.333 4.453 4.120 -0.000 0.000 0.284 299 V C 0.792 176.868 176.094 -0.030 0.000 1.386 299 V CA 0.288 62.570 62.300 -0.030 0.000 1.053 299 V CB -0.809 31.002 31.823 -0.021 0.000 0.857 299 V HN 1.188 nan 8.190 nan 0.000 0.436 300 T N -3.119 111.411 114.554 -0.039 0.000 2.863 300 T HA 0.610 4.960 4.350 -0.000 0.000 0.285 300 T C -2.107 172.565 174.700 -0.047 0.000 1.009 300 T CA -1.771 60.307 62.100 -0.038 0.000 0.989 300 T CB 2.142 70.988 68.868 -0.037 0.000 1.004 300 T HN -0.022 nan 8.240 nan 0.000 0.455 301 P HA -0.149 nan 4.420 nan 0.000 0.217 301 P C 1.782 179.052 177.300 -0.049 0.000 1.148 301 P CA 1.447 64.521 63.100 -0.043 0.000 0.828 301 P CB -0.218 31.460 31.700 -0.037 0.000 0.783 302 M N -2.789 116.782 119.600 -0.049 0.000 2.254 302 M HA 0.100 4.580 4.480 -0.000 0.000 0.265 302 M C 2.176 178.426 176.300 -0.083 0.000 1.066 302 M CA 2.213 57.481 55.300 -0.054 0.000 1.123 302 M CB -1.685 30.890 32.600 -0.041 0.000 1.388 302 M HN -0.187 nan 8.290 nan 0.000 0.425 303 G N 0.300 109.043 108.800 -0.095 0.000 2.408 303 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 303 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 303 G C 1.642 176.443 174.900 -0.165 0.000 1.150 303 G CA 0.981 45.993 45.100 -0.145 0.000 0.776 303 G HN 0.524 nan 8.290 nan 0.000 0.542 304 S N 0.189 115.821 115.700 -0.113 0.000 2.368 304 S HA -0.077 4.393 4.470 -0.000 0.000 0.225 304 S C 2.461 177.003 174.600 -0.098 0.000 1.030 304 S CA 1.256 59.397 58.200 -0.099 0.000 0.999 304 S CB -0.215 62.946 63.200 -0.065 0.000 0.844 304 S HN 0.437 nan 8.310 nan 0.000 0.459 305 R N 0.092 120.543 120.500 -0.083 0.000 2.092 305 R HA 0.049 4.388 4.340 -0.000 0.000 0.231 305 R C 2.564 178.814 176.300 -0.084 0.000 1.119 305 R CA 1.542 57.607 56.100 -0.058 0.000 0.970 305 R CB -0.353 29.926 30.300 -0.035 0.000 0.864 305 R HN 0.513 nan 8.270 nan 0.000 0.440 306 M N 0.670 120.176 119.600 -0.156 0.000 2.156 306 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 306 M C 2.036 178.073 176.300 -0.437 0.000 1.067 306 M CA 1.333 56.477 55.300 -0.261 0.000 1.131 306 M CB -0.012 32.383 32.600 -0.342 0.000 1.368 306 M HN 0.149 nan 8.290 nan 0.000 0.416 307 L N 1.140 122.113 121.223 -0.417 0.000 2.012 307 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 307 L C 2.033 178.837 176.870 -0.110 0.000 1.073 307 L CA 2.008 56.646 54.840 -0.337 0.000 0.748 307 L CB -0.712 41.212 42.059 -0.226 0.000 0.891 307 L HN 0.255 nan 8.230 nan 0.000 0.431 308 K N -0.976 119.374 120.400 -0.083 0.000 2.209 308 K HA -0.125 4.194 4.320 -0.000 0.000 0.204 308 K C 2.162 178.788 176.600 0.043 0.000 1.048 308 K CA 1.104 57.365 56.287 -0.043 0.000 0.940 308 K CB -0.121 32.364 32.500 -0.025 0.000 0.729 308 K HN 0.388 nan 8.250 nan 0.000 0.451 309 R N -0.276 120.282 120.500 0.095 0.000 2.073 309 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 309 R C 2.011 178.504 176.300 0.321 0.000 1.120 309 R CA 1.168 57.392 56.100 0.207 0.000 0.967 309 R CB -0.129 30.292 30.300 0.201 0.000 0.862 309 R HN 0.255 nan 8.270 nan 0.000 0.436 310 W N 1.277 122.596 121.300 0.031 0.000 2.338 310 W HA -0.091 4.569 4.660 -0.000 0.000 0.304 310 W C 1.977 178.507 176.519 0.019 0.000 1.212 310 W CA 0.694 58.056 57.345 0.029 0.000 1.264 310 W CB -0.916 28.558 29.460 0.023 0.000 1.142 310 W HN 0.050 nan 8.180 nan 0.000 0.512 311 L N -1.047 120.297 121.223 0.201 0.000 2.046 311 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 311 L C 2.369 179.254 176.870 0.025 0.000 1.077 311 L CA 1.243 56.112 54.840 0.049 0.000 0.747 311 L CB -0.933 41.069 42.059 -0.094 0.000 0.896 311 L HN 0.033 nan 8.230 nan 0.000 0.432 312 H N -1.521 117.607 119.070 0.097 0.000 2.551 312 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 312 H C 0.528 175.887 175.328 0.051 0.000 0.977 312 H CA 0.565 56.649 56.048 0.061 0.000 1.163 312 H CB 0.405 30.199 29.762 0.054 0.000 1.381 312 H HN 0.232 nan 8.280 nan 0.000 0.581 313 M N 1.507 121.212 119.600 0.174 0.000 2.353 313 M HA 0.252 4.732 4.480 -0.000 0.000 0.218 313 M C -2.754 173.576 176.300 0.051 0.000 1.044 313 M CA -1.684 53.674 55.300 0.096 0.000 0.615 313 M CB 1.847 34.503 32.600 0.093 0.000 1.531 313 M HN -0.206 nan 8.290 nan 0.000 0.378 314 P HA 0.182 nan 4.420 nan 0.000 0.271 314 P C -0.751 176.552 177.300 0.005 0.000 1.216 314 P CA -0.279 62.850 63.100 0.049 0.000 0.776 314 P CB 0.755 32.510 31.700 0.091 0.000 0.881 315 V N 1.456 121.372 119.914 0.003 0.000 2.769 315 V HA 0.485 4.605 4.120 -0.000 0.000 0.312 315 V C 1.063 177.159 176.094 0.003 0.000 1.058 315 V CA -0.683 61.595 62.300 -0.037 0.000 0.952 315 V CB 2.313 34.085 31.823 -0.084 0.000 1.019 315 V HN 0.357 nan 8.190 nan 0.000 0.445 316 R N 0.228 120.683 120.500 -0.075 0.000 2.246 316 R HA 0.104 4.444 4.340 -0.000 0.000 0.199 316 R C 0.055 176.306 176.300 -0.082 0.000 0.984 316 R CA 0.445 56.480 56.100 -0.108 0.000 1.015 316 R CB 0.048 30.248 30.300 -0.167 0.000 0.930 316 R HN 0.924 nan 8.270 nan 0.000 0.475 317 D N 1.373 121.717 120.400 -0.092 0.000 2.344 317 D HA -0.029 4.611 4.640 -0.000 0.000 0.253 317 D C 1.114 177.321 176.300 -0.156 0.000 1.255 317 D CA 0.135 54.069 54.000 -0.110 0.000 0.894 317 D CB 1.256 42.001 40.800 -0.091 0.000 1.067 317 D HN 0.116 nan 8.370 nan 0.000 0.492 318 T N 1.620 116.041 114.554 -0.223 0.000 2.962 318 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 318 T C 1.830 176.439 174.700 -0.151 0.000 1.088 318 T CA 0.646 62.533 62.100 -0.355 0.000 1.127 318 T CB -0.044 68.531 68.868 -0.488 0.000 0.883 318 T HN 0.329 nan 8.240 nan 0.000 0.493 319 R N 0.664 121.109 120.500 -0.092 0.000 2.094 319 R HA -0.062 4.278 4.340 -0.000 0.000 0.239 319 R C 2.557 178.830 176.300 -0.046 0.000 1.137 319 R CA 1.684 57.757 56.100 -0.046 0.000 0.943 319 R CB -1.041 29.235 30.300 -0.041 0.000 0.850 319 R HN 0.293 nan 8.270 nan 0.000 0.433 320 V N 1.359 121.228 119.914 -0.074 0.000 2.407 320 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 320 V C 2.261 178.307 176.094 -0.080 0.000 1.055 320 V CA 1.616 63.864 62.300 -0.086 0.000 1.049 320 V CB -0.425 31.321 31.823 -0.129 0.000 0.662 320 V HN 0.284 nan 8.190 nan 0.000 0.455 321 L N -0.897 120.278 121.223 -0.080 0.000 2.027 321 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 321 L C 2.414 179.335 176.870 0.085 0.000 1.074 321 L CA 1.437 56.262 54.840 -0.024 0.000 0.745 321 L CB -0.569 41.437 42.059 -0.088 0.000 0.898 321 L HN 0.278 nan 8.230 nan 0.000 0.433 322 L N -0.344 120.942 121.223 0.104 0.000 2.079 322 L HA -0.238 4.102 4.340 -0.000 0.000 0.210 322 L C 2.568 179.490 176.870 0.087 0.000 1.081 322 L CA 1.382 56.301 54.840 0.130 0.000 0.752 322 L CB -0.486 41.638 42.059 0.109 0.000 0.896 322 L HN 0.326 nan 8.230 nan 0.000 0.433 323 E N -0.285 119.944 120.200 0.049 0.000 2.106 323 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 323 E C 2.345 178.977 176.600 0.054 0.000 0.984 323 E CA 0.793 57.217 56.400 0.039 0.000 0.806 323 E CB 0.013 29.722 29.700 0.014 0.000 0.750 323 E HN 0.451 nan 8.360 nan 0.000 0.458 324 R N 0.708 121.238 120.500 0.050 0.000 2.092 324 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 324 R C 2.424 178.793 176.300 0.115 0.000 1.119 324 R CA 1.068 57.215 56.100 0.078 0.000 0.970 324 R CB -0.120 30.206 30.300 0.043 0.000 0.864 324 R HN 0.226 nan 8.270 nan 0.000 0.440 325 Q N 0.680 120.571 119.800 0.151 0.000 2.020 325 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 325 Q C 2.179 178.305 176.000 0.210 0.000 0.982 325 Q CA 1.620 57.574 55.803 0.251 0.000 0.838 325 Q CB -0.097 28.779 28.738 0.229 0.000 0.899 325 Q HN 0.437 nan 8.270 nan 0.000 0.423 326 Q N -0.370 119.512 119.800 0.136 0.000 2.135 326 Q HA -0.135 4.204 4.340 -0.000 0.000 0.204 326 Q C 2.073 178.114 176.000 0.069 0.000 0.981 326 Q CA 1.686 57.550 55.803 0.102 0.000 0.856 326 Q CB -0.016 28.764 28.738 0.070 0.000 0.902 326 Q HN 0.327 nan 8.270 nan 0.000 0.425 327 T N 0.744 115.330 114.554 0.054 0.000 2.777 327 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 327 T C 1.785 176.487 174.700 0.003 0.000 1.040 327 T CA 0.806 62.922 62.100 0.027 0.000 1.141 327 T CB -0.112 68.781 68.868 0.042 0.000 0.868 327 T HN 0.181 nan 8.240 nan 0.000 0.444 328 I N 1.068 121.627 120.570 -0.019 0.000 2.286 328 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 328 I C 2.699 178.712 176.117 -0.173 0.000 1.115 328 I CA 1.201 62.416 61.300 -0.142 0.000 1.392 328 I CB -0.368 37.457 38.000 -0.292 0.000 1.065 328 I HN 0.310 nan 8.210 nan 0.000 0.418 329 G N -0.106 108.662 108.800 -0.053 0.000 2.394 329 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.215 329 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.215 329 G C 1.790 176.716 174.900 0.043 0.000 1.165 329 G CA 0.626 45.756 45.100 0.049 0.000 0.784 329 G HN 0.470 nan 8.290 nan 0.000 0.535 330 A N 0.126 122.975 122.820 0.048 0.000 2.066 330 A HA 0.275 4.595 4.320 -0.000 0.000 0.218 330 A C 2.191 179.848 177.584 0.123 0.000 1.157 330 A CA 0.723 52.801 52.037 0.068 0.000 0.670 330 A CB -0.190 18.823 19.000 0.023 0.000 0.804 330 A HN 0.350 nan 8.150 nan 0.000 0.453 331 L N -0.856 120.413 121.223 0.076 0.000 2.585 331 L HA -0.008 4.332 4.340 -0.000 0.000 0.226 331 L C 2.418 179.369 176.870 0.134 0.000 1.113 331 L CA 0.464 55.389 54.840 0.141 0.000 0.876 331 L CB -0.213 41.864 42.059 0.030 0.000 1.072 331 L HN 0.553 nan 8.230 nan 0.000 0.468 332 Q N 1.056 120.852 119.800 -0.007 0.000 2.082 332 Q HA -0.303 4.037 4.340 -0.000 0.000 0.211 332 Q C 1.022 176.874 176.000 -0.245 0.000 1.002 332 Q CA 2.483 58.172 55.803 -0.190 0.000 0.868 332 Q CB -0.003 28.541 28.738 -0.323 0.000 0.931 332 Q HN 0.493 nan 8.270 nan 0.000 0.414 333 D N -0.922 119.340 120.400 -0.229 0.000 2.317 333 D HA -0.062 4.578 4.640 -0.000 0.000 0.211 333 D C 1.041 177.023 176.300 -0.530 0.000 0.966 333 D CA 0.652 54.386 54.000 -0.443 0.000 0.876 333 D CB -0.089 40.359 40.800 -0.587 0.000 0.927 333 D HN 0.318 nan 8.370 nan 0.000 0.519 334 F N 0.103 119.996 119.950 -0.095 0.000 2.727 334 F HA 0.125 4.652 4.527 -0.000 0.000 0.302 334 F C 2.310 178.076 175.800 -0.057 0.000 1.097 334 F CA 0.115 58.077 58.000 -0.063 0.000 1.330 334 F CB 0.068 39.038 39.000 -0.051 0.000 1.084 334 F HN -0.208 nan 8.300 nan 0.000 0.578 335 T N 0.078 114.663 114.554 0.051 0.000 2.737 335 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 335 T C 2.390 177.097 174.700 0.012 0.000 1.038 335 T CA 1.490 63.605 62.100 0.026 0.000 1.144 335 T CB -0.289 68.573 68.868 -0.011 0.000 0.866 335 T HN 0.291 nan 8.240 nan 0.000 0.434 336 A N 0.897 123.711 122.820 -0.009 0.000 1.933 336 A HA 0.081 4.401 4.320 -0.000 0.000 0.218 336 A C 2.504 180.090 177.584 0.003 0.000 1.175 336 A CA 1.980 54.013 52.037 -0.007 0.000 0.628 336 A CB -1.186 17.804 19.000 -0.018 0.000 0.814 336 A HN 0.533 nan 8.150 nan 0.000 0.444 337 G N -0.805 108.002 108.800 0.011 0.000 2.394 337 G HA2 0.006 3.966 3.960 -0.000 0.000 0.215 337 G HA3 0.006 3.966 3.960 -0.000 0.000 0.215 337 G C 1.345 176.268 174.900 0.038 0.000 1.165 337 G CA 0.950 46.066 45.100 0.027 0.000 0.784 337 G HN 0.335 nan 8.290 nan 0.000 0.535 338 L N 0.390 121.643 121.223 0.051 0.000 2.095 338 L HA 0.116 4.456 4.340 -0.000 0.000 0.204 338 L C 2.949 179.831 176.870 0.021 0.000 1.080 338 L CA 1.219 56.084 54.840 0.041 0.000 0.759 338 L CB -1.032 41.057 42.059 0.051 0.000 0.914 338 L HN 0.288 nan 8.230 nan 0.000 0.439 339 Q N -0.514 119.295 119.800 0.015 0.000 2.084 339 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 339 Q C -0.347 175.657 176.000 0.006 0.000 0.978 339 Q CA 1.711 57.517 55.803 0.005 0.000 0.844 339 Q CB -1.024 27.713 28.738 -0.001 0.000 0.898 339 Q HN 0.408 nan 8.270 nan 0.000 0.426 340 P HA -0.126 nan 4.420 nan 0.000 0.218 340 P C 1.381 178.690 177.300 0.016 0.000 1.149 340 P CA 1.046 64.153 63.100 0.011 0.000 0.817 340 P CB 0.030 31.736 31.700 0.011 0.000 0.785 341 V N -0.597 119.325 119.914 0.013 0.000 2.307 341 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 341 V C 2.446 178.546 176.094 0.011 0.000 1.045 341 V CA 1.515 63.821 62.300 0.009 0.000 1.024 341 V CB -1.184 30.644 31.823 0.008 0.000 0.651 341 V HN 0.058 nan 8.190 nan 0.000 0.449 342 L N -0.050 121.179 121.223 0.010 0.000 2.131 342 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 342 L C 2.756 179.631 176.870 0.008 0.000 1.092 342 L CA 1.763 56.607 54.840 0.007 0.000 0.759 342 L CB -0.505 41.554 42.059 -0.001 0.000 0.903 342 L HN 0.331 nan 8.230 nan 0.000 0.435 343 R N -0.294 120.212 120.500 0.009 0.000 2.105 343 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 343 R C 2.091 178.408 176.300 0.030 0.000 1.135 343 R CA 1.307 57.413 56.100 0.010 0.000 0.967 343 R CB -0.085 30.220 30.300 0.008 0.000 0.861 343 R HN 0.313 nan 8.270 nan 0.000 0.442 344 Q N 0.251 120.085 119.800 0.056 0.000 2.364 344 Q HA -0.054 4.286 4.340 -0.000 0.000 0.207 344 Q C 2.052 178.127 176.000 0.125 0.000 0.970 344 Q CA 0.782 56.663 55.803 0.130 0.000 0.888 344 Q CB 0.003 28.832 28.738 0.151 0.000 0.951 344 Q HN 0.274 nan 8.270 nan 0.000 0.469 345 V N -0.186 119.758 119.914 0.050 0.000 2.515 345 V HA -0.089 4.031 4.120 -0.000 0.000 0.250 345 V C 1.376 177.473 176.094 0.004 0.000 1.058 345 V CA 1.334 63.648 62.300 0.024 0.000 1.064 345 V CB -1.011 30.819 31.823 0.013 0.000 0.675 345 V HN 0.576 nan 8.190 nan 0.000 0.461 346 G N 0.382 109.182 108.800 0.001 0.000 2.645 346 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 346 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 346 G C -0.102 174.778 174.900 -0.032 0.000 1.322 346 G CA 0.219 45.307 45.100 -0.020 0.000 0.898 346 G HN 0.392 nan 8.290 nan 0.000 0.573 347 D N 0.568 120.944 120.400 -0.041 0.000 2.713 347 D HA 0.304 4.944 4.640 -0.000 0.000 0.229 347 D C 1.837 178.106 176.300 -0.053 0.000 1.136 347 D CA -0.367 53.607 54.000 -0.043 0.000 1.010 347 D CB 0.155 40.931 40.800 -0.041 0.000 1.084 347 D HN 0.425 nan 8.370 nan 0.000 0.495 348 L N 1.787 122.977 121.223 -0.056 0.000 2.187 348 L HA -0.100 4.240 4.340 -0.000 0.000 0.213 348 L C 1.911 178.745 176.870 -0.059 0.000 1.100 348 L CA 1.729 56.524 54.840 -0.075 0.000 0.765 348 L CB -0.283 41.734 42.059 -0.069 0.000 0.904 348 L HN 0.326 nan 8.230 nan 0.000 0.437 349 E N -0.609 119.569 120.200 -0.037 0.000 2.038 349 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 349 E C 2.300 178.885 176.600 -0.025 0.000 1.000 349 E CA 1.432 57.819 56.400 -0.021 0.000 0.803 349 E CB -0.050 29.643 29.700 -0.011 0.000 0.750 349 E HN 0.484 nan 8.360 nan 0.000 0.448 350 R N -0.181 120.299 120.500 -0.033 0.000 2.153 350 R HA 0.043 4.383 4.340 -0.000 0.000 0.218 350 R C 2.427 178.693 176.300 -0.058 0.000 1.072 350 R CA 0.629 56.708 56.100 -0.036 0.000 0.990 350 R CB -0.016 30.265 30.300 -0.033 0.000 0.889 350 R HN 0.290 nan 8.270 nan 0.000 0.452 351 I N 0.401 120.928 120.570 -0.072 0.000 2.252 351 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 351 I C 1.677 177.721 176.117 -0.121 0.000 1.102 351 I CA 0.821 62.065 61.300 -0.093 0.000 1.385 351 I CB -0.061 37.876 38.000 -0.106 0.000 1.064 351 I HN 0.118 nan 8.210 nan 0.000 0.414 352 L N 0.712 121.869 121.223 -0.111 0.000 2.131 352 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 352 L C 2.683 179.462 176.870 -0.152 0.000 1.092 352 L CA 1.904 56.670 54.840 -0.124 0.000 0.759 352 L CB -1.384 40.628 42.059 -0.078 0.000 0.903 352 L HN 0.185 nan 8.230 nan 0.000 0.435 353 A N -0.689 122.060 122.820 -0.119 0.000 1.902 353 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 353 A C 2.420 179.843 177.584 -0.269 0.000 1.181 353 A CA 1.429 53.351 52.037 -0.192 0.000 0.623 353 A CB -0.415 18.552 19.000 -0.055 0.000 0.818 353 A HN 0.372 nan 8.150 nan 0.000 0.443 354 R N -1.251 119.139 120.500 -0.183 0.000 2.189 354 R HA -0.007 4.333 4.340 -0.000 0.000 0.218 354 R C 1.969 178.112 176.300 -0.261 0.000 1.074 354 R CA 1.018 57.016 56.100 -0.170 0.000 0.991 354 R CB -0.393 29.848 30.300 -0.098 0.000 0.883 354 R HN 0.512 nan 8.270 nan 0.000 0.457 355 L N 0.641 121.665 121.223 -0.331 0.000 2.044 355 L HA -0.007 4.332 4.340 -0.000 0.000 0.205 355 L C 2.288 178.897 176.870 -0.436 0.000 1.075 355 L CA 1.684 56.219 54.840 -0.508 0.000 0.747 355 L CB -0.506 41.312 42.059 -0.401 0.000 0.903 355 L HN 0.061 nan 8.230 nan 0.000 0.435 356 A N -0.648 121.960 122.820 -0.354 0.000 1.908 356 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 356 A C 1.990 179.399 177.584 -0.291 0.000 1.181 356 A CA 1.937 53.767 52.037 -0.344 0.000 0.627 356 A CB -0.807 17.854 19.000 -0.566 0.000 0.818 356 A HN 0.406 nan 8.150 nan 0.000 0.445 357 L N -1.446 119.601 121.223 -0.294 0.000 2.554 357 L HA 0.166 4.506 4.340 -0.000 0.000 0.226 357 L C 1.017 177.838 176.870 -0.081 0.000 1.137 357 L CA 0.895 55.633 54.840 -0.170 0.000 0.863 357 L CB -0.989 40.978 42.059 -0.152 0.000 0.985 357 L HN 0.467 nan 8.230 nan 0.000 0.451 358 R N -0.844 119.585 120.500 -0.117 0.000 3.651 358 R HA -0.181 4.159 4.340 -0.000 0.000 0.292 358 R C 0.779 177.240 176.300 0.268 0.000 1.161 358 R CA 0.861 57.010 56.100 0.081 0.000 0.787 358 R CB -2.650 27.780 30.300 0.217 0.000 1.249 358 R HN 0.506 nan 8.270 nan 0.000 0.476 359 T N -3.637 110.985 114.554 0.113 0.000 3.085 359 T HA 0.487 4.837 4.350 -0.000 0.000 0.264 359 T C 0.703 175.507 174.700 0.174 0.000 1.019 359 T CA 0.218 62.404 62.100 0.144 0.000 0.910 359 T CB 0.680 69.576 68.868 0.047 0.000 1.059 359 T HN 0.427 nan 8.240 nan 0.000 0.542 360 A N 2.117 125.048 122.820 0.186 0.000 2.520 360 A HA 0.531 4.851 4.320 -0.000 0.000 0.245 360 A C 0.483 178.290 177.584 0.373 0.000 1.072 360 A CA -0.421 51.718 52.037 0.170 0.000 0.761 360 A CB 0.161 19.154 19.000 -0.011 0.000 1.004 360 A HN 0.606 nan 8.150 nan 0.000 0.499 361 R N 2.533 123.168 120.500 0.225 0.000 2.674 361 R HA 0.332 4.671 4.340 -0.000 0.000 0.266 361 R C -1.939 174.498 176.300 0.228 0.000 1.016 361 R CA -1.887 54.336 56.100 0.204 0.000 1.062 361 R CB 0.263 30.608 30.300 0.075 0.000 1.142 361 R HN 0.377 nan 8.270 nan 0.000 0.517 362 P HA -0.181 nan 4.420 nan 0.000 0.217 362 P C 0.602 177.961 177.300 0.100 0.000 1.151 362 P CA 1.548 64.751 63.100 0.172 0.000 0.849 362 P CB 0.164 31.874 31.700 0.016 0.000 0.787 363 R N -0.944 119.582 120.500 0.043 0.000 2.189 363 R HA -0.065 4.275 4.340 -0.000 0.000 0.218 363 R C 1.683 177.982 176.300 -0.002 0.000 1.074 363 R CA 0.954 57.058 56.100 0.007 0.000 0.991 363 R CB -0.622 29.668 30.300 -0.016 0.000 0.883 363 R HN 0.270 nan 8.270 nan 0.000 0.457 364 D N 1.015 121.426 120.400 0.018 0.000 2.117 364 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 364 D C 1.948 178.230 176.300 -0.029 0.000 0.987 364 D CA 1.055 55.049 54.000 -0.010 0.000 0.829 364 D CB -0.002 40.802 40.800 0.006 0.000 0.961 364 D HN 0.206 nan 8.370 nan 0.000 0.460 365 L N 0.654 121.894 121.223 0.028 0.000 2.093 365 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 365 L C 2.537 179.388 176.870 -0.032 0.000 1.085 365 L CA 0.846 55.685 54.840 -0.000 0.000 0.755 365 L CB -0.399 41.703 42.059 0.071 0.000 0.904 365 L HN -0.035 nan 8.230 nan 0.000 0.435 366 A N 0.103 122.920 122.820 -0.006 0.000 1.969 366 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 366 A C 2.379 179.944 177.584 -0.032 0.000 1.169 366 A CA 1.134 53.163 52.037 -0.013 0.000 0.635 366 A CB -0.329 18.667 19.000 -0.007 0.000 0.810 366 A HN 0.319 nan 8.150 nan 0.000 0.445 367 R N -1.467 118.995 120.500 -0.063 0.000 2.119 367 R HA 0.087 4.427 4.340 -0.000 0.000 0.222 367 R C 2.243 178.465 176.300 -0.129 0.000 1.088 367 R CA 1.108 57.166 56.100 -0.069 0.000 0.984 367 R CB -0.331 29.919 30.300 -0.082 0.000 0.884 367 R HN 0.621 nan 8.270 nan 0.000 0.447 368 M N 0.743 120.203 119.600 -0.233 0.000 2.117 368 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 368 M C 2.463 178.339 176.300 -0.706 0.000 1.065 368 M CA 1.637 56.629 55.300 -0.513 0.000 1.114 368 M CB -0.097 32.206 32.600 -0.496 0.000 1.361 368 M HN -0.009 nan 8.290 nan 0.000 0.408 369 R N -0.996 119.307 120.500 -0.328 0.000 2.083 369 R HA -0.239 4.101 4.340 -0.000 0.000 0.237 369 R C 2.380 178.662 176.300 -0.029 0.000 1.137 369 R CA 1.914 57.946 56.100 -0.113 0.000 0.951 369 R CB -0.738 29.570 30.300 0.012 0.000 0.851 369 R HN 0.559 nan 8.270 nan 0.000 0.434 370 H N -0.351 118.654 119.070 -0.109 0.000 2.421 370 H HA -0.085 4.471 4.556 -0.000 0.000 0.298 370 H C 1.617 176.916 175.328 -0.048 0.000 1.087 370 H CA 1.611 57.625 56.048 -0.056 0.000 1.330 370 H CB 0.212 29.939 29.762 -0.058 0.000 1.388 370 H HN 0.438 nan 8.280 nan 0.000 0.526 371 A N 0.386 123.168 122.820 -0.063 0.000 1.930 371 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 371 A C 1.998 179.614 177.584 0.054 0.000 1.176 371 A CA 0.562 52.563 52.037 -0.060 0.000 0.632 371 A CB -0.673 18.249 19.000 -0.129 0.000 0.819 371 A HN 0.260 nan 8.150 nan 0.000 0.445 372 F N 0.521 120.471 119.950 -0.000 0.000 2.171 372 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 372 F C 2.410 178.207 175.800 -0.005 0.000 1.090 372 F CA 1.207 59.221 58.000 0.024 0.000 1.293 372 F CB -1.048 37.969 39.000 0.029 0.000 1.013 372 F HN 0.337 nan 8.300 nan 0.000 0.486 373 Q N -0.389 119.489 119.800 0.129 0.000 2.515 373 Q HA -0.123 4.217 4.340 -0.000 0.000 0.212 373 Q C 1.587 177.568 176.000 -0.031 0.000 0.970 373 Q CA 0.542 56.353 55.803 0.014 0.000 0.941 373 Q CB -0.004 28.688 28.738 -0.077 0.000 0.998 373 Q HN 0.414 nan 8.270 nan 0.000 0.518 374 Q N -0.687 119.106 119.800 -0.011 0.000 2.378 374 Q HA 0.100 4.440 4.340 -0.000 0.000 0.216 374 Q C 1.852 177.865 176.000 0.022 0.000 0.892 374 Q CA 0.244 56.037 55.803 -0.017 0.000 0.931 374 Q CB 0.430 29.153 28.738 -0.025 0.000 1.086 374 Q HN 0.402 nan 8.270 nan 0.000 0.528 375 L N 1.200 122.459 121.223 0.061 0.000 2.017 375 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 375 L C -0.508 176.375 176.870 0.021 0.000 1.073 375 L CA 1.362 56.238 54.840 0.060 0.000 0.745 375 L CB -1.952 40.171 42.059 0.107 0.000 0.894 375 L HN 0.095 nan 8.230 nan 0.000 0.432 376 P HA -0.242 nan 4.420 nan 0.000 0.216 376 P C 1.369 178.666 177.300 -0.004 0.000 1.154 376 P CA 1.542 64.638 63.100 -0.005 0.000 0.865 376 P CB 0.100 31.797 31.700 -0.005 0.000 0.789 377 E N -0.352 119.848 120.200 0.000 0.000 2.072 377 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 377 E C 1.936 178.539 176.600 0.006 0.000 0.982 377 E CA 1.063 57.465 56.400 0.002 0.000 0.803 377 E CB -1.205 28.495 29.700 -0.001 0.000 0.755 377 E HN 0.112 nan 8.360 nan 0.000 0.453 378 L N 0.056 121.282 121.223 0.006 0.000 2.083 378 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 378 L C 2.723 179.587 176.870 -0.011 0.000 1.083 378 L CA 1.286 56.128 54.840 0.003 0.000 0.752 378 L CB -0.364 41.701 42.059 0.009 0.000 0.899 378 L HN 0.089 nan 8.230 nan 0.000 0.433 379 R N -0.152 120.341 120.500 -0.012 0.000 2.081 379 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 379 R C 2.428 178.712 176.300 -0.026 0.000 1.131 379 R CA 1.371 57.456 56.100 -0.025 0.000 0.960 379 R CB -0.426 29.858 30.300 -0.027 0.000 0.856 379 R HN 0.371 nan 8.270 nan 0.000 0.436 380 A N 0.995 123.808 122.820 -0.012 0.000 1.873 380 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 380 A C 2.031 179.620 177.584 0.009 0.000 1.186 380 A CA 1.052 53.087 52.037 -0.003 0.000 0.616 380 A CB -0.359 18.644 19.000 0.005 0.000 0.823 380 A HN 0.302 nan 8.150 nan 0.000 0.442 381 Q N -0.572 119.239 119.800 0.019 0.000 2.124 381 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 381 Q C 1.852 177.834 176.000 -0.029 0.000 0.977 381 Q CA 1.322 57.159 55.803 0.056 0.000 0.850 381 Q CB -0.251 28.533 28.738 0.076 0.000 0.901 381 Q HN 0.665 nan 8.270 nan 0.000 0.429 382 L N 0.330 121.494 121.223 -0.099 0.000 2.446 382 L HA -0.046 4.294 4.340 -0.000 0.000 0.219 382 L C 2.371 179.126 176.870 -0.192 0.000 1.116 382 L CA 0.280 54.993 54.840 -0.211 0.000 0.844 382 L CB -0.282 41.689 42.059 -0.146 0.000 0.970 382 L HN 0.284 nan 8.230 nan 0.000 0.457 383 E N 0.536 120.674 120.200 -0.104 0.000 2.130 383 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 383 E C 1.678 178.232 176.600 -0.076 0.000 0.998 383 E CA 1.968 58.324 56.400 -0.073 0.000 0.806 383 E CB 0.037 29.716 29.700 -0.036 0.000 0.738 383 E HN 0.346 nan 8.360 nan 0.000 0.459 384 T N 0.814 115.326 114.554 -0.070 0.000 2.904 384 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 384 T C 0.627 175.273 174.700 -0.090 0.000 1.059 384 T CA 0.585 62.677 62.100 -0.014 0.000 1.137 384 T CB 0.037 68.992 68.868 0.145 0.000 0.879 384 T HN -0.008 nan 8.240 nan 0.000 0.467 385 V N 3.492 123.197 119.914 -0.347 0.000 2.509 385 V HA 0.012 4.132 4.120 -0.000 0.000 0.297 385 V C 0.503 176.504 176.094 -0.157 0.000 1.014 385 V CA -0.453 61.598 62.300 -0.415 0.000 1.127 385 V CB 0.291 31.724 31.823 -0.649 0.000 0.925 385 V HN 0.328 nan 8.190 nan 0.000 0.480 386 D N 4.322 124.686 120.400 -0.060 0.000 2.470 386 D HA 0.271 4.911 4.640 -0.000 0.000 0.226 386 D C -0.157 176.130 176.300 -0.022 0.000 1.196 386 D CA 0.451 54.440 54.000 -0.019 0.000 0.979 386 D CB 0.261 41.074 40.800 0.021 0.000 1.059 386 D HN 0.560 nan 8.370 nan 0.000 0.515 387 S N 1.823 117.500 115.700 -0.038 0.000 2.550 387 S HA 0.465 4.935 4.470 -0.000 0.000 0.274 387 S C 0.727 175.310 174.600 -0.028 0.000 1.110 387 S CA -0.090 58.093 58.200 -0.028 0.000 1.013 387 S CB 0.476 63.652 63.200 -0.040 0.000 1.152 387 S HN 0.317 nan 8.310 nan 0.000 0.450 388 A N 6.199 129.011 122.820 -0.014 0.000 1.908 388 A HA 0.073 4.393 4.320 -0.000 0.000 0.218 388 A C -0.749 176.828 177.584 -0.012 0.000 1.181 388 A CA 1.883 53.913 52.037 -0.013 0.000 0.627 388 A CB -1.542 17.454 19.000 -0.005 0.000 0.818 388 A HN 0.645 nan 8.150 nan 0.000 0.445 389 P HA -0.042 nan 4.420 nan 0.000 0.219 389 P C 1.549 178.846 177.300 -0.005 0.000 1.150 389 P CA 0.898 64.000 63.100 0.003 0.000 0.814 389 P CB -0.114 31.596 31.700 0.015 0.000 0.787 390 V N 0.019 119.918 119.914 -0.025 0.000 2.427 390 V HA -0.210 3.910 4.120 -0.000 0.000 0.248 390 V C 2.500 178.561 176.094 -0.054 0.000 1.051 390 V CA 1.638 63.909 62.300 -0.049 0.000 1.048 390 V CB -1.092 30.674 31.823 -0.096 0.000 0.666 390 V HN 0.103 nan 8.190 nan 0.000 0.456 391 Q N -0.077 119.692 119.800 -0.052 0.000 2.167 391 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 391 Q C 2.375 178.357 176.000 -0.030 0.000 0.970 391 Q CA 1.713 57.488 55.803 -0.047 0.000 0.855 391 Q CB -0.637 28.075 28.738 -0.043 0.000 0.911 391 Q HN 0.654 nan 8.270 nan 0.000 0.438 392 A N 0.638 123.447 122.820 -0.018 0.000 1.898 392 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 392 A C 2.200 179.784 177.584 0.001 0.000 1.181 392 A CA 0.801 52.834 52.037 -0.007 0.000 0.620 392 A CB -0.596 18.405 19.000 0.001 0.000 0.819 392 A HN 0.311 nan 8.150 nan 0.000 0.442 393 L N -0.987 120.238 121.223 0.003 0.000 2.201 393 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 393 L C 2.731 179.603 176.870 0.004 0.000 1.105 393 L CA 1.466 56.313 54.840 0.013 0.000 0.775 393 L CB -0.362 41.706 42.059 0.015 0.000 0.913 393 L HN 0.486 nan 8.230 nan 0.000 0.440 394 R N 0.346 120.836 120.500 -0.016 0.000 2.075 394 R HA -0.184 4.156 4.340 -0.000 0.000 0.226 394 R C 2.173 178.458 176.300 -0.025 0.000 1.114 394 R CA 1.361 57.446 56.100 -0.025 0.000 0.972 394 R CB 0.064 30.336 30.300 -0.046 0.000 0.869 394 R HN 0.223 nan 8.270 nan 0.000 0.437 395 E N 1.185 121.369 120.200 -0.026 0.000 2.017 395 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 395 E C 1.869 178.455 176.600 -0.024 0.000 0.997 395 E CA 1.905 58.285 56.400 -0.034 0.000 0.804 395 E CB -0.092 29.591 29.700 -0.028 0.000 0.757 395 E HN 0.245 nan 8.360 nan 0.000 0.448 396 K N -0.065 120.337 120.400 0.003 0.000 2.218 396 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 396 K C 2.231 178.871 176.600 0.066 0.000 1.046 396 K CA 1.648 57.955 56.287 0.033 0.000 0.933 396 K CB -0.266 32.259 32.500 0.042 0.000 0.728 396 K HN 0.327 nan 8.250 nan 0.000 0.454 397 M N 0.049 119.682 119.600 0.054 0.000 2.159 397 M HA -0.073 4.407 4.480 -0.000 0.000 0.263 397 M C 0.694 177.068 176.300 0.124 0.000 1.063 397 M CA 1.804 57.159 55.300 0.092 0.000 1.110 397 M CB -0.341 32.291 32.600 0.055 0.000 1.374 397 M HN 0.355 nan 8.290 nan 0.000 0.411 398 G N 0.126 108.914 108.800 -0.020 0.000 2.782 398 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.228 398 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.228 398 G C -0.358 174.400 174.900 -0.236 0.000 1.372 398 G CA 0.160 45.105 45.100 -0.260 0.000 0.862 398 G HN 0.567 nan 8.290 nan 0.000 0.547 399 E N -1.484 118.416 120.200 -0.500 0.000 2.520 399 E HA 0.407 4.757 4.350 -0.000 0.000 0.201 399 E C 0.857 177.292 176.600 -0.275 0.000 0.894 399 E CA 0.395 56.629 56.400 -0.278 0.000 1.161 399 E CB 0.042 29.596 29.700 -0.243 0.000 1.137 399 E HN 0.903 nan 8.360 nan 0.000 0.510 400 F N 1.005 120.779 119.950 -0.293 0.000 2.866 400 F HA -0.264 4.263 4.527 -0.000 0.000 0.254 400 F C 1.275 176.807 175.800 -0.448 0.000 1.009 400 F CA 0.139 57.849 58.000 -0.482 0.000 0.907 400 F CB -1.738 36.749 39.000 -0.855 0.000 0.859 400 F HN 0.197 nan 8.300 nan 0.000 0.842 401 A N -0.122 122.585 122.820 -0.189 0.000 1.902 401 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 401 A C 2.121 179.645 177.584 -0.100 0.000 1.181 401 A CA 1.849 53.813 52.037 -0.121 0.000 0.623 401 A CB -0.313 18.630 19.000 -0.095 0.000 0.818 401 A HN 0.650 nan 8.150 nan 0.000 0.443 402 E N -0.260 119.872 120.200 -0.113 0.000 2.150 402 E HA -0.083 4.267 4.350 -0.000 0.000 0.193 402 E C 1.881 178.435 176.600 -0.077 0.000 0.985 402 E CA 0.948 57.301 56.400 -0.078 0.000 0.814 402 E CB -0.182 29.475 29.700 -0.072 0.000 0.752 402 E HN 0.654 nan 8.360 nan 0.000 0.466 403 L N 0.355 121.485 121.223 -0.155 0.000 2.131 403 L HA -0.043 4.297 4.340 -0.000 0.000 0.206 403 L C 2.680 179.556 176.870 0.010 0.000 1.087 403 L CA 0.584 55.356 54.840 -0.114 0.000 0.767 403 L CB -0.519 41.394 42.059 -0.243 0.000 0.917 403 L HN 0.080 nan 8.230 nan 0.000 0.441 404 R N 1.128 121.599 120.500 -0.048 0.000 2.096 404 R HA -0.272 4.068 4.340 -0.000 0.000 0.240 404 R C 1.799 178.157 176.300 0.098 0.000 1.139 404 R CA 2.669 58.852 56.100 0.139 0.000 0.952 404 R CB -0.356 29.987 30.300 0.072 0.000 0.854 404 R HN 0.405 nan 8.270 nan 0.000 0.436 405 D N -0.253 120.173 120.400 0.043 0.000 2.149 405 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 405 D C 2.146 178.477 176.300 0.053 0.000 0.972 405 D CA 0.694 54.720 54.000 0.043 0.000 0.835 405 D CB -0.007 40.811 40.800 0.029 0.000 0.966 405 D HN 0.195 nan 8.370 nan 0.000 0.476 406 L N 0.330 121.586 121.223 0.054 0.000 1.997 406 L HA -0.156 4.184 4.340 -0.000 0.000 0.216 406 L C 1.986 178.855 176.870 -0.002 0.000 1.074 406 L CA 1.736 56.612 54.840 0.060 0.000 0.763 406 L CB -0.453 41.646 42.059 0.066 0.000 0.890 406 L HN 0.214 nan 8.230 nan 0.000 0.434 407 L N -1.235 120.003 121.223 0.025 0.000 2.395 407 L HA -0.080 4.260 4.340 -0.000 0.000 0.218 407 L C 2.332 179.196 176.870 -0.010 0.000 1.130 407 L CA 0.540 55.376 54.840 -0.006 0.000 0.826 407 L CB -0.463 41.629 42.059 0.056 0.000 0.941 407 L HN 0.365 nan 8.230 nan 0.000 0.451 408 E N 0.452 120.664 120.200 0.021 0.000 2.046 408 E HA -0.149 4.200 4.350 -0.000 0.000 0.190 408 E C 2.282 178.885 176.600 0.005 0.000 0.982 408 E CA 0.949 57.364 56.400 0.025 0.000 0.800 408 E CB 0.186 29.912 29.700 0.043 0.000 0.756 408 E HN 0.351 nan 8.360 nan 0.000 0.449 409 R N -0.251 120.251 120.500 0.003 0.000 2.153 409 R HA 0.070 4.410 4.340 -0.000 0.000 0.218 409 R C 2.074 178.292 176.300 -0.137 0.000 1.072 409 R CA 0.937 57.053 56.100 0.026 0.000 0.990 409 R CB 0.045 30.434 30.300 0.149 0.000 0.889 409 R HN 0.068 nan 8.270 nan 0.000 0.452 410 A N 0.644 123.232 122.820 -0.386 0.000 1.903 410 A HA 0.152 4.472 4.320 -0.000 0.000 0.213 410 A C 0.947 178.307 177.584 -0.374 0.000 1.185 410 A CA 0.635 52.148 52.037 -0.872 0.000 0.628 410 A CB 0.229 18.726 19.000 -0.838 0.000 0.830 410 A HN 0.084 nan 8.150 nan 0.000 0.446 411 I N 0.226 120.695 120.570 -0.167 0.000 2.646 411 I HA 0.351 4.521 4.170 -0.000 0.000 0.299 411 I C 0.022 176.128 176.117 -0.019 0.000 1.036 411 I CA -1.162 60.106 61.300 -0.053 0.000 1.074 411 I CB 2.053 40.049 38.000 -0.008 0.000 1.258 411 I HN 0.457 nan 8.210 nan 0.000 0.430 412 I N 0.194 120.765 120.570 0.002 0.000 3.269 412 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 412 I C 0.670 176.795 176.117 0.012 0.000 1.152 412 I CA -0.126 61.180 61.300 0.010 0.000 1.263 412 I CB 0.392 38.399 38.000 0.013 0.000 1.439 412 I HN 0.496 nan 8.210 nan 0.000 0.637 413 D N 1.080 121.489 120.400 0.015 0.000 2.087 413 D HA -0.123 4.517 4.640 -0.000 0.000 0.192 413 D C 0.997 177.300 176.300 0.006 0.000 0.993 413 D CA 2.435 56.445 54.000 0.017 0.000 0.828 413 D CB -0.310 40.501 40.800 0.018 0.000 0.968 413 D HN 0.850 nan 8.370 nan 0.000 0.448 414 T N -0.439 114.115 114.554 -0.000 0.000 3.155 414 T HA 0.442 4.792 4.350 -0.000 0.000 0.384 414 T C -2.684 172.010 174.700 -0.010 0.000 1.351 414 T CA -1.668 60.426 62.100 -0.011 0.000 1.198 414 T CB 1.834 70.692 68.868 -0.016 0.000 1.106 414 T HN -0.143 nan 8.240 nan 0.000 0.564 415 P HA 0.366 nan 4.420 nan 0.000 0.274 415 P C -2.504 174.785 177.300 -0.018 0.000 1.237 415 P CA -1.358 61.737 63.100 -0.008 0.000 0.793 415 P CB 0.242 31.945 31.700 0.004 0.000 0.977 416 P HA 0.033 nan 4.420 nan 0.000 0.274 416 P C 1.121 178.398 177.300 -0.037 0.000 1.256 416 P CA -0.278 62.803 63.100 -0.032 0.000 0.795 416 P CB 0.657 32.335 31.700 -0.037 0.000 1.038 417 V N -0.033 119.862 119.914 -0.033 0.000 2.343 417 V HA -0.152 3.967 4.120 -0.000 0.000 0.247 417 V C 1.385 177.454 176.094 -0.043 0.000 1.051 417 V CA 1.690 63.971 62.300 -0.031 0.000 1.036 417 V CB -0.767 31.041 31.823 -0.025 0.000 0.654 417 V HN 0.350 nan 8.190 nan 0.000 0.451 418 L N -0.603 120.585 121.223 -0.059 0.000 2.330 418 L HA 0.360 4.700 4.340 -0.000 0.000 0.271 418 L C 1.178 177.958 176.870 -0.151 0.000 1.013 418 L CA -0.425 54.362 54.840 -0.088 0.000 0.816 418 L CB 1.728 43.751 42.059 -0.060 0.000 1.287 418 L HN 0.056 nan 8.230 nan 0.000 0.435 419 V N -0.852 118.912 119.914 -0.249 0.000 2.548 419 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 419 V C 2.308 178.280 176.094 -0.202 0.000 1.055 419 V CA 1.073 63.163 62.300 -0.349 0.000 1.065 419 V CB -0.854 30.605 31.823 -0.606 0.000 0.681 419 V HN 0.930 nan 8.190 nan 0.000 0.462 420 R N 1.173 121.589 120.500 -0.140 0.000 2.224 420 R HA -0.257 4.083 4.340 -0.000 0.000 0.255 420 R C 1.485 177.742 176.300 -0.072 0.000 1.130 420 R CA 2.677 58.725 56.100 -0.086 0.000 0.957 420 R CB -0.478 29.791 30.300 -0.052 0.000 0.907 420 R HN 0.739 nan 8.270 nan 0.000 0.446 421 D N -0.787 119.573 120.400 -0.067 0.000 2.388 421 D HA 0.166 4.806 4.640 -0.000 0.000 0.221 421 D C 0.914 177.182 176.300 -0.053 0.000 1.133 421 D CA 0.675 54.645 54.000 -0.051 0.000 0.831 421 D CB 0.573 41.352 40.800 -0.036 0.000 0.962 421 D HN 0.502 nan 8.370 nan 0.000 0.502 422 G N 1.300 110.058 108.800 -0.070 0.000 2.601 422 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.261 422 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.261 422 G C 0.875 175.748 174.900 -0.046 0.000 1.289 422 G CA 0.198 45.264 45.100 -0.057 0.000 0.920 422 G HN 0.830 nan 8.290 nan 0.000 0.571 423 G N -2.801 105.986 108.800 -0.022 0.000 2.179 423 G HA2 0.049 4.009 3.960 -0.000 0.000 0.257 423 G HA3 0.049 4.009 3.960 -0.000 0.000 0.257 423 G C 1.701 176.593 174.900 -0.014 0.000 1.010 423 G CA 2.052 47.145 45.100 -0.012 0.000 0.736 423 G HN 2.491 nan 8.290 nan 0.000 0.513 424 V N -1.797 118.105 119.914 -0.020 0.000 2.788 424 V HA 0.471 4.591 4.120 -0.000 0.000 0.241 424 V C 1.332 177.440 176.094 0.023 0.000 1.083 424 V CA 0.519 62.812 62.300 -0.012 0.000 1.103 424 V CB 0.031 31.817 31.823 -0.062 0.000 0.800 424 V HN 0.242 nan 8.190 nan 0.000 0.476 425 I N 2.711 123.305 120.570 0.041 0.000 2.496 425 I HA 0.479 4.649 4.170 -0.000 0.000 0.285 425 I C 0.971 177.124 176.117 0.059 0.000 1.080 425 I CA 0.332 61.666 61.300 0.057 0.000 1.404 425 I CB 0.513 38.587 38.000 0.123 0.000 1.403 425 I HN 0.421 nan 8.210 nan 0.000 0.539 426 A N 5.623 128.468 122.820 0.041 0.000 2.386 426 A HA 0.375 4.695 4.320 -0.000 0.000 0.248 426 A C 0.540 178.186 177.584 0.104 0.000 1.082 426 A CA -0.391 51.681 52.037 0.058 0.000 0.789 426 A CB 0.118 19.140 19.000 0.037 0.000 1.025 426 A HN 0.817 nan 8.150 nan 0.000 0.490 427 S N 0.499 116.248 115.700 0.081 0.000 2.523 427 S HA 0.533 5.002 4.470 -0.000 0.000 0.275 427 S C 0.979 175.632 174.600 0.089 0.000 1.281 427 S CA 0.134 58.383 58.200 0.082 0.000 1.050 427 S CB 0.910 64.144 63.200 0.057 0.000 0.937 427 S HN 2.496 nan 8.310 nan 0.000 0.492 428 G N 1.667 110.523 108.800 0.093 0.000 2.213 428 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.226 428 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.226 428 G C 0.353 175.331 174.900 0.130 0.000 0.992 428 G CA 0.292 45.444 45.100 0.086 0.000 0.632 428 G HN 0.848 nan 8.290 nan 0.000 0.511 429 Y N 1.619 121.936 120.300 0.029 0.000 2.286 429 Y HA 0.326 4.876 4.550 -0.000 0.000 0.293 429 Y C 0.998 176.916 175.900 0.031 0.000 1.124 429 Y CA 1.457 59.576 58.100 0.032 0.000 1.178 429 Y CB 0.408 38.893 38.460 0.042 0.000 1.010 429 Y HN 0.303 nan 8.280 nan 0.000 0.536 430 N N 0.303 118.984 118.700 -0.033 0.000 2.371 430 N HA 0.044 4.784 4.740 -0.000 0.000 0.291 430 N C 0.195 175.685 175.510 -0.034 0.000 1.053 430 N CA -0.055 52.927 53.050 -0.114 0.000 0.870 430 N CB 1.673 40.115 38.487 -0.074 0.000 1.503 430 N HN 0.385 nan 8.380 nan 0.000 0.485 431 E N 2.329 122.493 120.200 -0.059 0.000 2.072 431 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 431 E C 1.053 177.611 176.600 -0.071 0.000 0.985 431 E CA 1.020 57.388 56.400 -0.055 0.000 0.801 431 E CB 0.206 29.867 29.700 -0.066 0.000 0.750 431 E HN 0.698 nan 8.360 nan 0.000 0.452 432 E N 0.252 120.413 120.200 -0.064 0.000 2.085 432 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 432 E C 2.246 178.822 176.600 -0.042 0.000 0.994 432 E CA 1.031 57.373 56.400 -0.096 0.000 0.801 432 E CB -0.062 29.643 29.700 0.007 0.000 0.743 432 E HN 0.225 nan 8.360 nan 0.000 0.453 433 L N 1.423 122.700 121.223 0.090 0.000 2.083 433 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 433 L C 1.487 178.429 176.870 0.119 0.000 1.083 433 L CA 1.900 56.849 54.840 0.180 0.000 0.752 433 L CB -0.269 41.883 42.059 0.156 0.000 0.899 433 L HN 0.029 nan 8.230 nan 0.000 0.433 434 D N -0.384 120.042 120.400 0.044 0.000 2.178 434 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 434 D C 2.069 178.364 176.300 -0.009 0.000 0.974 434 D CA 1.241 55.256 54.000 0.026 0.000 0.841 434 D CB 0.047 40.852 40.800 0.008 0.000 0.953 434 D HN 0.536 nan 8.370 nan 0.000 0.478 435 E N -0.446 119.695 120.200 -0.097 0.000 2.046 435 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 435 E C 2.077 178.594 176.600 -0.138 0.000 0.982 435 E CA 0.589 56.875 56.400 -0.191 0.000 0.800 435 E CB -0.162 29.316 29.700 -0.369 0.000 0.756 435 E HN 0.407 nan 8.360 nan 0.000 0.449 436 W N 1.013 122.316 121.300 0.006 0.000 2.363 436 W HA -0.113 4.547 4.660 -0.000 0.000 0.296 436 W C 2.471 178.994 176.519 0.007 0.000 1.212 436 W CA 0.339 57.687 57.345 0.005 0.000 1.260 436 W CB -0.045 29.417 29.460 0.004 0.000 1.131 436 W HN -0.032 nan 8.180 nan 0.000 0.530 437 R N -0.015 120.615 120.500 0.217 0.000 2.092 437 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 437 R C 2.353 178.709 176.300 0.092 0.000 1.119 437 R CA 1.418 57.597 56.100 0.132 0.000 0.970 437 R CB -0.632 29.727 30.300 0.097 0.000 0.864 437 R HN 0.146 nan 8.270 nan 0.000 0.440 438 A N 0.691 123.551 122.820 0.067 0.000 1.929 438 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 438 A C 2.057 179.676 177.584 0.058 0.000 1.176 438 A CA 0.855 52.918 52.037 0.043 0.000 0.628 438 A CB -0.306 18.701 19.000 0.011 0.000 0.816 438 A HN 0.170 nan 8.150 nan 0.000 0.444 439 L N -0.836 120.434 121.223 0.079 0.000 2.141 439 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 439 L C 3.031 179.972 176.870 0.117 0.000 1.094 439 L CA 0.913 55.815 54.840 0.102 0.000 0.763 439 L CB -0.425 41.722 42.059 0.147 0.000 0.908 439 L HN 0.439 nan 8.230 nan 0.000 0.437 440 A N -0.168 122.726 122.820 0.124 0.000 1.872 440 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 440 A C 1.884 179.514 177.584 0.076 0.000 1.187 440 A CA 1.694 53.789 52.037 0.096 0.000 0.614 440 A CB -0.433 18.618 19.000 0.086 0.000 0.826 440 A HN 0.311 nan 8.150 nan 0.000 0.442 441 D N -0.231 120.210 120.400 0.068 0.000 2.218 441 D HA -0.055 4.585 4.640 -0.000 0.000 0.204 441 D C 1.925 178.260 176.300 0.058 0.000 0.976 441 D CA 1.313 55.344 54.000 0.053 0.000 0.853 441 D CB -0.485 40.341 40.800 0.043 0.000 0.939 441 D HN 0.461 nan 8.370 nan 0.000 0.481 442 G N 0.469 109.312 108.800 0.073 0.000 2.408 442 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.215 442 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.215 442 G C 1.660 176.638 174.900 0.130 0.000 1.156 442 G CA 0.719 45.872 45.100 0.089 0.000 0.793 442 G HN 0.354 nan 8.290 nan 0.000 0.535 443 A N 0.206 123.107 122.820 0.136 0.000 1.968 443 A HA 0.080 4.400 4.320 -0.000 0.000 0.217 443 A C 2.449 180.085 177.584 0.087 0.000 1.169 443 A CA 2.186 54.328 52.037 0.176 0.000 0.638 443 A CB -0.646 18.446 19.000 0.154 0.000 0.812 443 A HN 0.247 nan 8.150 nan 0.000 0.446 444 T N -0.028 114.559 114.554 0.055 0.000 2.857 444 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 444 T C 1.469 176.177 174.700 0.013 0.000 1.048 444 T CA 1.510 63.623 62.100 0.022 0.000 1.139 444 T CB -0.327 68.566 68.868 0.041 0.000 0.874 444 T HN 0.420 nan 8.240 nan 0.000 0.455 445 D N -0.030 120.389 120.400 0.030 0.000 2.144 445 D HA -0.046 4.594 4.640 -0.000 0.000 0.200 445 D C 1.594 177.883 176.300 -0.020 0.000 0.978 445 D CA 0.720 54.724 54.000 0.007 0.000 0.833 445 D CB -0.299 40.512 40.800 0.018 0.000 0.961 445 D HN 0.397 nan 8.370 nan 0.000 0.470 446 Y N 1.063 121.281 120.300 -0.137 0.000 2.181 446 Y HA -0.133 4.417 4.550 -0.000 0.000 0.288 446 Y C 2.042 177.773 175.900 -0.281 0.000 1.146 446 Y CA 1.353 59.298 58.100 -0.259 0.000 1.164 446 Y CB -0.287 37.894 38.460 -0.465 0.000 0.982 446 Y HN -0.063 nan 8.280 nan 0.000 0.515 447 L N -0.341 120.872 121.223 -0.017 0.000 2.217 447 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 447 L C 2.227 179.038 176.870 -0.098 0.000 1.107 447 L CA 1.300 56.088 54.840 -0.087 0.000 0.783 447 L CB -0.428 41.500 42.059 -0.218 0.000 0.919 447 L HN 0.210 nan 8.230 nan 0.000 0.442 448 E N -0.064 120.087 120.200 -0.081 0.000 2.106 448 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 448 E C 2.319 178.856 176.600 -0.104 0.000 0.984 448 E CA 0.864 57.224 56.400 -0.067 0.000 0.806 448 E CB 0.076 29.750 29.700 -0.043 0.000 0.750 448 E HN 0.321 nan 8.360 nan 0.000 0.458 449 R N 0.198 120.595 120.500 -0.171 0.000 2.153 449 R HA -0.010 4.330 4.340 -0.000 0.000 0.218 449 R C 2.433 178.584 176.300 -0.249 0.000 1.072 449 R CA 0.358 56.328 56.100 -0.215 0.000 0.990 449 R CB -0.111 30.019 30.300 -0.284 0.000 0.889 449 R HN 0.195 nan 8.270 nan 0.000 0.452 450 L N 1.086 122.136 121.223 -0.288 0.000 2.093 450 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 450 L C 2.350 179.162 176.870 -0.098 0.000 1.085 450 L CA 1.618 56.334 54.840 -0.208 0.000 0.755 450 L CB -0.180 41.795 42.059 -0.140 0.000 0.904 450 L HN 0.180 nan 8.230 nan 0.000 0.435 451 E N -0.582 119.571 120.200 -0.078 0.000 2.051 451 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 451 E C 2.067 178.651 176.600 -0.027 0.000 0.991 451 E CA 1.769 58.150 56.400 -0.032 0.000 0.799 451 E CB -0.028 29.659 29.700 -0.021 0.000 0.748 451 E HN 0.402 nan 8.360 nan 0.000 0.449 452 V N 1.261 121.147 119.914 -0.047 0.000 2.626 452 V HA -0.215 3.905 4.120 -0.000 0.000 0.252 452 V C 2.566 178.634 176.094 -0.044 0.000 1.067 452 V CA 2.027 64.302 62.300 -0.041 0.000 1.081 452 V CB -0.588 31.205 31.823 -0.051 0.000 0.686 452 V HN 0.284 nan 8.190 nan 0.000 0.468 453 R N 0.062 120.524 120.500 -0.063 0.000 2.062 453 R HA -0.101 4.239 4.340 -0.000 0.000 0.229 453 R C 2.233 178.520 176.300 -0.023 0.000 1.128 453 R CA 1.356 57.422 56.100 -0.058 0.000 0.960 453 R CB -0.183 30.062 30.300 -0.091 0.000 0.855 453 R HN 0.385 nan 8.270 nan 0.000 0.432 454 E N 0.554 120.753 120.200 -0.002 0.000 2.150 454 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 454 E C 1.979 178.599 176.600 0.034 0.000 0.985 454 E CA 0.929 57.357 56.400 0.046 0.000 0.814 454 E CB -0.123 29.639 29.700 0.104 0.000 0.752 454 E HN 0.333 nan 8.360 nan 0.000 0.466 455 R N 0.883 121.394 120.500 0.020 0.000 2.115 455 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 455 R C 2.243 178.541 176.300 -0.003 0.000 1.111 455 R CA 1.113 57.222 56.100 0.014 0.000 0.976 455 R CB 0.109 30.416 30.300 0.012 0.000 0.870 455 R HN 0.020 nan 8.270 nan 0.000 0.445 456 E N 0.620 120.813 120.200 -0.011 0.000 2.028 456 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 456 E C 1.909 178.496 176.600 -0.022 0.000 0.984 456 E CA 1.078 57.467 56.400 -0.018 0.000 0.800 456 E CB 0.046 29.732 29.700 -0.023 0.000 0.758 456 E HN 0.288 nan 8.360 nan 0.000 0.448 457 R N -0.153 120.333 120.500 -0.023 0.000 2.097 457 R HA -0.145 4.195 4.340 -0.000 0.000 0.236 457 R C 2.612 178.886 176.300 -0.044 0.000 1.135 457 R CA 2.587 58.669 56.100 -0.030 0.000 0.934 457 R CB -0.715 29.569 30.300 -0.026 0.000 0.846 457 R HN 0.322 nan 8.270 nan 0.000 0.431 458 T N -2.995 111.528 114.554 -0.052 0.000 2.995 458 T HA 0.044 4.394 4.350 -0.000 0.000 0.269 458 T C 1.439 176.102 174.700 -0.061 0.000 1.091 458 T CA 0.795 62.847 62.100 -0.081 0.000 1.128 458 T CB -0.034 68.770 68.868 -0.107 0.000 0.891 458 T HN 0.502 nan 8.240 nan 0.000 0.492 459 G N 1.313 110.091 108.800 -0.037 0.000 2.176 459 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.252 459 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.252 459 G C -0.117 174.773 174.900 -0.016 0.000 1.024 459 G CA 0.220 45.304 45.100 -0.025 0.000 0.755 459 G HN 0.658 nan 8.290 nan 0.000 0.507 460 L N 1.416 122.633 121.223 -0.011 0.000 2.301 460 L HA 0.315 4.655 4.340 -0.000 0.000 0.278 460 L C 1.328 178.211 176.870 0.021 0.000 1.022 460 L CA -0.463 54.380 54.840 0.005 0.000 0.854 460 L CB 1.001 43.061 42.059 0.002 0.000 1.226 460 L HN 0.338 nan 8.230 nan 0.000 0.429 461 D N 0.187 120.601 120.400 0.022 0.000 2.350 461 D HA -0.166 4.474 4.640 -0.000 0.000 0.216 461 D C 1.332 177.653 176.300 0.036 0.000 0.968 461 D CA 1.317 55.332 54.000 0.025 0.000 0.894 461 D CB 0.095 40.907 40.800 0.020 0.000 0.909 461 D HN 0.598 nan 8.370 nan 0.000 0.520 462 T N -1.644 112.939 114.554 0.047 0.000 3.107 462 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 462 T C 0.929 175.676 174.700 0.078 0.000 1.096 462 T CA -0.601 61.536 62.100 0.061 0.000 1.012 462 T CB -0.225 68.683 68.868 0.067 0.000 0.977 462 T HN 0.087 nan 8.240 nan 0.000 0.527 463 L N 2.565 123.833 121.223 0.075 0.000 2.416 463 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 463 L C -0.165 176.754 176.870 0.082 0.000 1.161 463 L CA -0.090 54.807 54.840 0.095 0.000 0.845 463 L CB 0.291 42.404 42.059 0.089 0.000 1.119 463 L HN 0.432 nan 8.230 nan 0.000 0.464 464 K N 2.876 123.335 120.400 0.100 0.000 2.579 464 K HA 0.593 4.913 4.320 -0.000 0.000 0.284 464 K C -1.873 174.768 176.600 0.069 0.000 0.990 464 K CA -1.089 55.243 56.287 0.075 0.000 0.880 464 K CB 1.706 34.252 32.500 0.076 0.000 1.488 464 K HN 0.225 nan 8.250 nan 0.000 0.425 465 V N 1.124 121.052 119.914 0.023 0.000 2.398 465 V HA 0.636 4.756 4.120 -0.000 0.000 0.286 465 V C 0.220 176.242 176.094 -0.119 0.000 1.026 465 V CA -0.080 62.201 62.300 -0.032 0.000 0.868 465 V CB 1.229 33.056 31.823 0.007 0.000 0.982 465 V HN 0.931 nan 8.190 nan 0.000 0.443 466 G N 2.783 111.280 108.800 -0.505 0.000 3.013 466 G HA2 0.786 4.746 3.960 -0.000 0.000 0.278 466 G HA3 0.786 4.746 3.960 -0.000 0.000 0.278 466 G C -1.817 172.639 174.900 -0.740 0.000 1.353 466 G CA -0.576 44.148 45.100 -0.627 0.000 1.043 466 G HN 0.505 nan 8.290 nan 0.000 0.523 467 F N 1.487 121.121 119.950 -0.526 0.000 2.596 467 F HA 0.589 5.116 4.527 -0.000 0.000 0.311 467 F C -0.946 174.838 175.800 -0.028 0.000 1.116 467 F CA -0.911 56.851 58.000 -0.398 0.000 0.957 467 F CB 2.122 40.707 39.000 -0.691 0.000 1.250 467 F HN 0.714 nan 8.300 nan 0.000 0.444 468 N N 3.849 122.132 118.700 -0.694 0.000 2.825 468 N HA 0.407 5.147 4.740 -0.000 0.000 0.253 468 N C -0.495 174.587 175.510 -0.714 0.000 1.426 468 N CA -0.178 52.579 53.050 -0.488 0.000 0.851 468 N CB 1.269 39.715 38.487 -0.069 0.000 1.470 468 N HN 0.671 nan 8.380 nan 0.000 0.517 469 A N 0.236 122.856 122.820 -0.333 0.000 1.969 469 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 469 A C 1.838 179.279 177.584 -0.238 0.000 1.169 469 A CA 1.889 53.786 52.037 -0.233 0.000 0.635 469 A CB -0.716 18.231 19.000 -0.089 0.000 0.810 469 A HN 0.422 nan 8.150 nan 0.000 0.445 470 V N -0.942 118.817 119.914 -0.258 0.000 2.283 470 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 470 V C 1.940 177.792 176.094 -0.404 0.000 1.039 470 V CA 2.221 64.313 62.300 -0.346 0.000 1.016 470 V CB -0.897 30.657 31.823 -0.447 0.000 0.650 470 V HN 0.754 nan 8.190 nan 0.000 0.449 471 H N -0.993 117.976 119.070 -0.169 0.000 2.594 471 H HA 0.450 5.006 4.556 -0.000 0.000 0.279 471 H C 1.475 176.745 175.328 -0.096 0.000 1.042 471 H CA 0.331 56.318 56.048 -0.102 0.000 1.177 471 H CB 0.374 30.083 29.762 -0.087 0.000 1.524 471 H HN 0.503 nan 8.280 nan 0.000 0.537 472 G N 0.956 109.624 108.800 -0.221 0.000 2.651 472 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.315 472 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.315 472 G C -0.278 174.416 174.900 -0.343 0.000 1.258 472 G CA 0.320 45.184 45.100 -0.393 0.000 1.002 472 G HN 0.393 nan 8.290 nan 0.000 0.551 473 Y N 1.154 121.525 120.300 0.118 0.000 2.299 473 Y HA 0.577 5.127 4.550 -0.000 0.000 0.326 473 Y C 0.677 176.636 175.900 0.098 0.000 1.164 473 Y CA 0.520 58.690 58.100 0.116 0.000 1.234 473 Y CB 1.212 39.777 38.460 0.175 0.000 1.219 473 Y HN 0.720 nan 8.280 nan 0.000 0.497 474 Y N -0.296 120.130 120.300 0.210 0.000 2.615 474 Y HA 0.720 5.270 4.550 -0.000 0.000 0.341 474 Y C -1.541 174.412 175.900 0.088 0.000 1.089 474 Y CA -2.120 56.032 58.100 0.088 0.000 1.049 474 Y CB 0.862 39.318 38.460 -0.007 0.000 1.296 474 Y HN 0.345 nan 8.280 nan 0.000 0.470 475 I N 2.829 123.548 120.570 0.248 0.000 2.321 475 I HA 0.293 4.463 4.170 -0.000 0.000 0.291 475 I C -0.404 175.936 176.117 0.372 0.000 0.998 475 I CA -0.579 60.835 61.300 0.190 0.000 1.227 475 I CB 1.636 39.622 38.000 -0.023 0.000 1.368 475 I HN 0.669 nan 8.210 nan 0.000 0.466 476 Q N 6.942 126.959 119.800 0.362 0.000 2.235 476 Q HA 0.707 5.047 4.340 -0.000 0.000 0.256 476 Q C -1.334 174.830 176.000 0.273 0.000 0.951 476 Q CA -0.567 55.435 55.803 0.331 0.000 0.890 476 Q CB 1.964 30.900 28.738 0.330 0.000 1.279 476 Q HN 0.583 nan 8.270 nan 0.000 0.444 477 I N 1.860 122.600 120.570 0.283 0.000 2.722 477 I HA 0.224 4.394 4.170 -0.000 0.000 0.295 477 I C -0.102 176.124 176.117 0.182 0.000 1.161 477 I CA -0.953 60.487 61.300 0.235 0.000 1.032 477 I CB 2.259 40.433 38.000 0.289 0.000 1.244 477 I HN 0.729 nan 8.210 nan 0.000 0.421 478 S N 4.799 120.577 115.700 0.130 0.000 2.589 478 S HA 0.175 4.645 4.470 -0.000 0.000 0.265 478 S C 1.145 175.807 174.600 0.102 0.000 1.342 478 S CA -0.202 58.056 58.200 0.096 0.000 1.005 478 S CB 1.272 64.517 63.200 0.074 0.000 0.909 478 S HN 0.840 nan 8.310 nan 0.000 0.555 479 R N 1.130 121.671 120.500 0.069 0.000 2.096 479 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 479 R C 2.225 178.561 176.300 0.061 0.000 1.127 479 R CA 1.621 57.757 56.100 0.059 0.000 0.968 479 R CB -1.269 29.046 30.300 0.026 0.000 0.861 479 R HN 0.883 nan 8.270 nan 0.000 0.440 480 G N -0.270 108.560 108.800 0.050 0.000 2.443 480 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 480 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 480 G C 1.139 176.100 174.900 0.101 0.000 1.131 480 G CA 0.279 45.398 45.100 0.032 0.000 0.775 480 G HN 0.404 nan 8.290 nan 0.000 0.547 481 Q N 0.258 120.146 119.800 0.147 0.000 2.352 481 Q HA 0.045 4.385 4.340 -0.000 0.000 0.212 481 Q C 2.650 178.782 176.000 0.221 0.000 0.888 481 Q CA 0.569 56.489 55.803 0.194 0.000 0.934 481 Q CB 0.419 29.222 28.738 0.108 0.000 1.093 481 Q HN 0.582 nan 8.270 nan 0.000 0.523 482 S N 0.963 116.799 115.700 0.227 0.000 2.442 482 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 482 S C 1.777 176.505 174.600 0.214 0.000 1.007 482 S CA 1.173 59.515 58.200 0.237 0.000 0.965 482 S CB -0.502 62.861 63.200 0.271 0.000 0.773 482 S HN 0.548 nan 8.310 nan 0.000 0.504 483 H N 1.717 120.820 119.070 0.055 0.000 2.563 483 H HA 0.177 4.733 4.556 -0.000 0.000 0.272 483 H C 1.001 176.325 175.328 -0.008 0.000 1.005 483 H CA 0.543 56.609 56.048 0.030 0.000 1.171 483 H CB -0.533 29.242 29.762 0.022 0.000 1.351 483 H HN 0.510 nan 8.280 nan 0.000 0.602 484 L N 0.749 121.752 121.223 -0.367 0.000 2.965 484 L HA 0.489 4.829 4.340 -0.000 0.000 0.254 484 L C 0.818 177.517 176.870 -0.285 0.000 1.220 484 L CA -0.338 54.274 54.840 -0.381 0.000 1.023 484 L CB 0.364 42.194 42.059 -0.382 0.000 1.355 484 L HN 0.129 nan 8.230 nan 0.000 0.545 485 A N 0.953 123.614 122.820 -0.265 0.000 2.450 485 A HA 0.491 4.811 4.320 -0.000 0.000 0.255 485 A C -2.091 175.176 177.584 -0.529 0.000 1.096 485 A CA -0.921 50.829 52.037 -0.478 0.000 0.778 485 A CB -0.387 18.308 19.000 -0.508 0.000 1.031 485 A HN 0.025 nan 8.150 nan 0.000 0.494 486 P HA 0.075 nan 4.420 nan 0.000 0.267 486 P C 0.553 177.644 177.300 -0.349 0.000 1.200 486 P CA -0.014 62.740 63.100 -0.577 0.000 0.772 486 P CB 0.310 31.570 31.700 -0.733 0.000 0.855 487 I N 1.249 121.724 120.570 -0.159 0.000 2.614 487 I HA -0.177 3.992 4.170 -0.000 0.000 0.258 487 I C 2.015 178.149 176.117 0.028 0.000 1.189 487 I CA 0.978 62.249 61.300 -0.049 0.000 1.462 487 I CB -0.755 37.227 38.000 -0.030 0.000 1.092 487 I HN 0.431 nan 8.210 nan 0.000 0.442 488 N N 0.730 119.460 118.700 0.050 0.000 2.459 488 N HA -0.195 4.545 4.740 -0.000 0.000 0.181 488 N C 0.270 175.936 175.510 0.260 0.000 1.046 488 N CA 0.559 53.691 53.050 0.137 0.000 0.904 488 N CB -0.322 38.242 38.487 0.128 0.000 0.964 488 N HN 0.208 nan 8.380 nan 0.000 0.444 489 Y N 2.075 122.365 120.300 -0.016 0.000 2.569 489 Y HA 0.149 4.699 4.550 -0.000 0.000 0.332 489 Y C 0.984 176.973 175.900 0.150 0.000 1.120 489 Y CA -0.741 57.366 58.100 0.013 0.000 1.416 489 Y CB 0.293 38.600 38.460 -0.254 0.000 1.210 489 Y HN -0.014 nan 8.280 nan 0.000 0.528 490 M N 4.659 124.427 119.600 0.280 0.000 2.063 490 M HA 0.414 4.894 4.480 -0.000 0.000 0.348 490 M C 0.068 176.498 176.300 0.217 0.000 1.180 490 M CA -0.538 54.891 55.300 0.216 0.000 1.059 490 M CB 0.842 33.514 32.600 0.121 0.000 1.544 490 M HN 0.510 nan 8.290 nan 0.000 0.447 491 R N 1.725 122.338 120.500 0.188 0.000 2.640 491 R HA 0.041 4.381 4.340 -0.000 0.000 0.270 491 R C 0.839 177.068 176.300 -0.118 0.000 1.024 491 R CA 0.647 56.691 56.100 -0.093 0.000 1.085 491 R CB 0.669 30.908 30.300 -0.100 0.000 0.963 491 R HN 0.618 nan 8.270 nan 0.000 0.426 492 R N 0.978 121.325 120.500 -0.255 0.000 2.650 492 R HA 0.117 4.457 4.340 -0.000 0.000 0.212 492 R C -0.404 175.705 176.300 -0.319 0.000 0.904 492 R CA 0.264 56.222 56.100 -0.236 0.000 1.021 492 R CB 0.706 30.827 30.300 -0.299 0.000 1.519 492 R HN 0.643 nan 8.270 nan 0.000 0.639 493 Q N 0.533 120.073 119.800 -0.432 0.000 2.313 493 Q HA 0.265 4.605 4.340 -0.000 0.000 0.255 493 Q C -1.595 174.230 176.000 -0.290 0.000 0.944 493 Q CA -0.108 55.495 55.803 -0.334 0.000 0.881 493 Q CB 2.155 30.632 28.738 -0.435 0.000 1.375 493 Q HN -0.099 nan 8.270 nan 0.000 0.422 494 T N 4.644 119.087 114.554 -0.184 0.000 2.743 494 T HA 0.439 4.789 4.350 -0.000 0.000 0.293 494 T C 0.151 174.785 174.700 -0.110 0.000 0.945 494 T CA -0.256 61.758 62.100 -0.144 0.000 1.030 494 T CB 0.245 69.054 68.868 -0.098 0.000 0.912 494 T HN 0.396 nan 8.240 nan 0.000 0.483 495 L N 2.411 123.572 121.223 -0.103 0.000 2.416 495 L HA 0.482 4.822 4.340 -0.000 0.000 0.263 495 L C 2.068 178.911 176.870 -0.046 0.000 1.065 495 L CA -1.002 53.795 54.840 -0.072 0.000 0.798 495 L CB 0.588 42.604 42.059 -0.071 0.000 1.267 495 L HN 0.549 nan 8.230 nan 0.000 0.467 496 K N 0.596 120.977 120.400 -0.032 0.000 2.147 496 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 496 K C 0.610 177.202 176.600 -0.013 0.000 1.049 496 K CA 1.688 57.963 56.287 -0.021 0.000 0.936 496 K CB 0.122 32.613 32.500 -0.015 0.000 0.722 496 K HN 0.526 nan 8.250 nan 0.000 0.446 497 N N -0.578 118.116 118.700 -0.009 0.000 2.466 497 N HA 0.236 4.975 4.740 -0.000 0.000 0.272 497 N C -1.742 173.776 175.510 0.013 0.000 1.455 497 N CA 0.041 53.093 53.050 0.004 0.000 0.875 497 N CB 1.356 39.849 38.487 0.009 0.000 1.372 497 N HN 0.224 nan 8.380 nan 0.000 0.492 498 A N -0.419 122.402 122.820 0.001 0.000 2.586 498 A HA 0.644 4.964 4.320 -0.000 0.000 0.291 498 A C -1.692 175.871 177.584 -0.036 0.000 1.062 498 A CA -0.683 51.361 52.037 0.012 0.000 0.666 498 A CB 1.173 20.185 19.000 0.020 0.000 1.281 498 A HN 0.041 nan 8.150 nan 0.000 0.421 499 E N 1.097 121.281 120.200 -0.027 0.000 2.248 499 E HA 0.493 4.843 4.350 -0.000 0.000 0.267 499 E C -1.033 175.402 176.600 -0.275 0.000 0.877 499 E CA -0.702 55.573 56.400 -0.210 0.000 0.759 499 E CB 2.125 31.682 29.700 -0.238 0.000 1.182 499 E HN 0.610 nan 8.360 nan 0.000 0.418 500 R N 2.358 122.579 120.500 -0.466 0.000 2.514 500 R HA 0.574 4.914 4.340 -0.000 0.000 0.301 500 R C -0.666 175.356 176.300 -0.463 0.000 0.962 500 R CA -0.740 55.163 56.100 -0.328 0.000 0.882 500 R CB 1.070 31.057 30.300 -0.522 0.000 1.143 500 R HN 0.458 nan 8.270 nan 0.000 0.452 501 Y N 1.481 121.758 120.300 -0.037 0.000 2.602 501 Y HA 0.578 5.128 4.550 -0.000 0.000 0.342 501 Y C 0.530 176.384 175.900 -0.077 0.000 1.029 501 Y CA -1.336 56.727 58.100 -0.061 0.000 1.080 501 Y CB 1.590 40.021 38.460 -0.049 0.000 1.284 501 Y HN 0.508 nan 8.280 nan 0.000 0.485 502 I N 1.266 121.892 120.570 0.092 0.000 2.846 502 I HA 0.826 4.996 4.170 -0.000 0.000 0.307 502 I C -0.951 175.158 176.117 -0.014 0.000 1.053 502 I CA -1.188 60.135 61.300 0.038 0.000 1.050 502 I CB 2.483 40.529 38.000 0.077 0.000 1.239 502 I HN 0.670 nan 8.210 nan 0.000 0.439 503 I N 0.309 120.860 120.570 -0.031 0.000 3.002 503 I HA 0.606 4.776 4.170 -0.000 0.000 0.310 503 I C -2.180 173.961 176.117 0.040 0.000 1.087 503 I CA -2.209 59.091 61.300 -0.000 0.000 1.017 503 I CB 2.079 40.058 38.000 -0.036 0.000 1.226 503 I HN 0.344 nan 8.210 nan 0.000 0.443 504 P HA -0.199 nan 4.420 nan 0.000 0.215 504 P C 1.283 178.622 177.300 0.065 0.000 1.153 504 P CA 1.481 64.613 63.100 0.054 0.000 0.853 504 P CB 0.165 31.895 31.700 0.049 0.000 0.788 505 E N -0.640 119.610 120.200 0.084 0.000 2.130 505 E HA -0.205 4.145 4.350 -0.000 0.000 0.196 505 E C 2.010 178.703 176.600 0.156 0.000 0.998 505 E CA 0.792 57.273 56.400 0.135 0.000 0.806 505 E CB -0.382 29.404 29.700 0.145 0.000 0.738 505 E HN 0.036 nan 8.360 nan 0.000 0.459 506 L N 0.862 122.143 121.223 0.096 0.000 2.056 506 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 506 L C 2.171 179.104 176.870 0.104 0.000 1.078 506 L CA 1.653 56.543 54.840 0.083 0.000 0.749 506 L CB -0.185 41.911 42.059 0.062 0.000 0.901 506 L HN -0.087 nan 8.230 nan 0.000 0.433 507 K N -0.393 120.065 120.400 0.098 0.000 2.211 507 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 507 K C 2.030 178.660 176.600 0.051 0.000 1.050 507 K CA 1.058 57.403 56.287 0.097 0.000 0.945 507 K CB -0.094 32.452 32.500 0.076 0.000 0.732 507 K HN 0.425 nan 8.250 nan 0.000 0.451 508 E N -0.917 119.292 120.200 0.016 0.000 2.031 508 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 508 E C 1.352 177.820 176.600 -0.220 0.000 0.994 508 E CA 1.345 57.678 56.400 -0.113 0.000 0.800 508 E CB -0.118 29.491 29.700 -0.153 0.000 0.752 508 E HN 0.381 nan 8.360 nan 0.000 0.447 509 Y N 0.840 121.053 120.300 -0.144 0.000 2.457 509 Y HA -0.067 4.483 4.550 -0.000 0.000 0.292 509 Y C 2.307 178.130 175.900 -0.130 0.000 1.125 509 Y CA 1.311 59.293 58.100 -0.197 0.000 1.254 509 Y CB -0.092 38.180 38.460 -0.313 0.000 1.012 509 Y HN 0.240 nan 8.280 nan 0.000 0.555 510 E N 0.449 120.684 120.200 0.058 0.000 2.085 510 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 510 E C 1.630 178.332 176.600 0.169 0.000 0.994 510 E CA 1.652 58.187 56.400 0.225 0.000 0.801 510 E CB -0.132 29.803 29.700 0.392 0.000 0.743 510 E HN 0.342 nan 8.360 nan 0.000 0.453 511 D N 0.278 120.719 120.400 0.068 0.000 2.144 511 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 511 D C 1.804 178.101 176.300 -0.005 0.000 0.984 511 D CA 1.009 55.023 54.000 0.023 0.000 0.834 511 D CB 0.101 40.886 40.800 -0.024 0.000 0.955 511 D HN 0.226 nan 8.370 nan 0.000 0.465 512 K N 0.083 120.457 120.400 -0.044 0.000 2.025 512 K HA -0.068 4.252 4.320 -0.000 0.000 0.207 512 K C 2.241 178.860 176.600 0.032 0.000 1.049 512 K CA 0.631 56.900 56.287 -0.030 0.000 0.933 512 K CB -0.067 32.380 32.500 -0.088 0.000 0.714 512 K HN -0.011 nan 8.250 nan 0.000 0.438 513 V N 1.513 121.462 119.914 0.059 0.000 2.287 513 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 513 V C 2.187 178.312 176.094 0.052 0.000 1.053 513 V CA 1.537 63.884 62.300 0.079 0.000 1.027 513 V CB -0.346 31.563 31.823 0.145 0.000 0.646 513 V HN 0.192 nan 8.190 nan 0.000 0.447 514 L N 0.354 121.616 121.223 0.064 0.000 2.095 514 L HA -0.081 4.259 4.340 -0.000 0.000 0.204 514 L C 2.781 179.640 176.870 -0.020 0.000 1.080 514 L CA 2.487 57.345 54.840 0.030 0.000 0.759 514 L CB -0.991 41.117 42.059 0.082 0.000 0.914 514 L HN 0.628 nan 8.230 nan 0.000 0.439 515 T N -4.937 109.599 114.554 -0.030 0.000 2.812 515 T HA -0.099 4.251 4.350 -0.000 0.000 0.264 515 T C 2.073 176.670 174.700 -0.172 0.000 1.042 515 T CA 1.256 63.299 62.100 -0.096 0.000 1.140 515 T CB -0.584 68.234 68.868 -0.083 0.000 0.870 515 T HN 0.161 nan 8.240 nan 0.000 0.445 516 S N 1.875 117.526 115.700 -0.081 0.000 2.365 516 S HA -0.120 4.350 4.470 -0.000 0.000 0.221 516 S C 2.081 176.636 174.600 -0.074 0.000 1.037 516 S CA 1.408 59.591 58.200 -0.028 0.000 1.060 516 S CB -0.408 62.878 63.200 0.143 0.000 0.974 516 S HN 0.530 nan 8.310 nan 0.000 0.427 517 K N 0.427 120.809 120.400 -0.030 0.000 2.127 517 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 517 K C 2.245 178.794 176.600 -0.086 0.000 1.047 517 K CA 1.258 57.522 56.287 -0.039 0.000 0.927 517 K CB -0.578 31.897 32.500 -0.041 0.000 0.716 517 K HN 0.479 nan 8.250 nan 0.000 0.450 518 G N 1.275 110.000 108.800 -0.124 0.000 2.403 518 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 518 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 518 G C 1.299 176.074 174.900 -0.208 0.000 1.154 518 G CA 0.529 45.545 45.100 -0.140 0.000 0.784 518 G HN 0.236 nan 8.290 nan 0.000 0.538 519 K N 0.538 120.720 120.400 -0.363 0.000 2.155 519 K HA 0.217 4.537 4.320 -0.000 0.000 0.203 519 K C 2.724 179.103 176.600 -0.368 0.000 1.052 519 K CA 0.856 56.814 56.287 -0.548 0.000 0.948 519 K CB -0.044 31.688 32.500 -1.281 0.000 0.728 519 K HN 0.258 nan 8.250 nan 0.000 0.448 520 A N 0.804 123.498 122.820 -0.210 0.000 1.975 520 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 520 A C 2.032 179.612 177.584 -0.006 0.000 1.170 520 A CA 0.620 52.657 52.037 -0.000 0.000 0.656 520 A CB -0.301 18.755 19.000 0.093 0.000 0.821 520 A HN 0.226 nan 8.150 nan 0.000 0.449 521 L N -0.419 120.775 121.223 -0.048 0.000 2.072 521 L HA -0.000 4.340 4.340 -0.000 0.000 0.205 521 L C 2.650 179.495 176.870 -0.042 0.000 1.079 521 L CA 1.792 56.607 54.840 -0.042 0.000 0.752 521 L CB -0.343 41.684 42.059 -0.054 0.000 0.906 521 L HN 0.306 nan 8.230 nan 0.000 0.436 522 A N -0.801 121.982 122.820 -0.062 0.000 2.015 522 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 522 A C 2.137 179.711 177.584 -0.016 0.000 1.163 522 A CA 1.717 53.724 52.037 -0.049 0.000 0.646 522 A CB -0.755 18.201 19.000 -0.074 0.000 0.806 522 A HN 0.448 nan 8.150 nan 0.000 0.448 523 L N -0.224 120.999 121.223 -0.000 0.000 2.179 523 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 523 L C 2.067 178.982 176.870 0.074 0.000 1.096 523 L CA 1.771 56.643 54.840 0.054 0.000 0.779 523 L CB -0.545 41.579 42.059 0.108 0.000 0.922 523 L HN 0.465 nan 8.230 nan 0.000 0.443 524 E N -0.540 119.696 120.200 0.059 0.000 2.072 524 E HA -0.228 4.122 4.350 -0.000 0.000 0.191 524 E C 2.024 178.665 176.600 0.068 0.000 0.985 524 E CA 1.186 57.628 56.400 0.070 0.000 0.801 524 E CB 0.026 29.744 29.700 0.028 0.000 0.750 524 E HN 0.493 nan 8.360 nan 0.000 0.452 525 K N 0.303 120.717 120.400 0.023 0.000 2.097 525 K HA -0.102 4.218 4.320 -0.000 0.000 0.205 525 K C 2.232 178.862 176.600 0.051 0.000 1.050 525 K CA 0.763 57.059 56.287 0.015 0.000 0.938 525 K CB 0.067 32.553 32.500 -0.025 0.000 0.718 525 K HN 0.013 nan 8.250 nan 0.000 0.442 526 Q N 0.713 120.540 119.800 0.045 0.000 2.123 526 Q HA -0.025 4.314 4.340 -0.000 0.000 0.199 526 Q C 2.193 178.232 176.000 0.066 0.000 0.966 526 Q CA 1.041 56.870 55.803 0.042 0.000 0.845 526 Q CB -0.042 28.717 28.738 0.036 0.000 0.907 526 Q HN 0.348 nan 8.270 nan 0.000 0.439 527 L N -0.747 120.541 121.223 0.108 0.000 2.141 527 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 527 L C 2.283 179.236 176.870 0.139 0.000 1.094 527 L CA 0.997 55.935 54.840 0.163 0.000 0.763 527 L CB -0.452 41.755 42.059 0.247 0.000 0.908 527 L HN 0.163 nan 8.230 nan 0.000 0.437 528 Y N 0.821 121.102 120.300 -0.033 0.000 2.220 528 Y HA -0.179 4.371 4.550 -0.000 0.000 0.291 528 Y C 2.579 178.314 175.900 -0.276 0.000 1.129 528 Y CA 1.353 59.374 58.100 -0.132 0.000 1.161 528 Y CB 0.155 38.520 38.460 -0.159 0.000 0.997 528 Y HN 0.091 nan 8.280 nan 0.000 0.522 529 E N 0.372 120.472 120.200 -0.167 0.000 2.268 529 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 529 E C 1.948 178.466 176.600 -0.137 0.000 0.995 529 E CA 1.098 57.330 56.400 -0.280 0.000 0.836 529 E CB -0.197 29.440 29.700 -0.105 0.000 0.763 529 E HN 0.682 nan 8.360 nan 0.000 0.491 530 E N 0.777 120.948 120.200 -0.048 0.000 2.152 530 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 530 E C 2.201 178.833 176.600 0.053 0.000 0.983 530 E CA 0.223 56.642 56.400 0.031 0.000 0.818 530 E CB 0.051 29.794 29.700 0.071 0.000 0.758 530 E HN 0.209 nan 8.360 nan 0.000 0.467 531 L N 0.294 121.516 121.223 -0.002 0.000 2.042 531 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 531 L C 2.475 179.447 176.870 0.169 0.000 1.076 531 L CA 0.971 55.833 54.840 0.036 0.000 0.749 531 L CB -0.497 41.506 42.059 -0.092 0.000 0.893 531 L HN 0.161 nan 8.230 nan 0.000 0.432 532 F N 0.696 120.563 119.950 -0.139 0.000 2.134 532 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 532 F C 2.384 178.163 175.800 -0.035 0.000 1.097 532 F CA 1.056 58.998 58.000 -0.096 0.000 1.264 532 F CB -1.030 37.911 39.000 -0.098 0.000 1.001 532 F HN 0.177 nan 8.300 nan 0.000 0.479 533 D N 0.038 120.547 120.400 0.181 0.000 2.149 533 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 533 D C 2.407 178.763 176.300 0.094 0.000 0.990 533 D CA 1.086 55.151 54.000 0.107 0.000 0.839 533 D CB -0.476 40.373 40.800 0.082 0.000 0.948 533 D HN 0.262 nan 8.370 nan 0.000 0.460 534 L N -0.461 120.832 121.223 0.115 0.000 2.375 534 L HA -0.009 4.331 4.340 -0.000 0.000 0.215 534 L C 1.808 178.793 176.870 0.193 0.000 1.108 534 L CA 0.060 54.983 54.840 0.138 0.000 0.830 534 L CB 0.133 42.273 42.059 0.135 0.000 0.959 534 L HN 0.019 nan 8.230 nan 0.000 0.457 535 L N -0.683 120.630 121.223 0.150 0.000 2.168 535 L HA -0.015 4.325 4.340 -0.000 0.000 0.203 535 L C 2.191 179.137 176.870 0.127 0.000 1.078 535 L CA 1.438 56.368 54.840 0.149 0.000 0.780 535 L CB -0.578 41.512 42.059 0.053 0.000 0.939 535 L HN 0.114 nan 8.230 nan 0.000 0.451 536 L N -0.089 121.156 121.223 0.038 0.000 2.191 536 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 536 L C -0.356 176.494 176.870 -0.033 0.000 1.103 536 L CA 0.952 55.781 54.840 -0.018 0.000 0.769 536 L CB -1.356 40.684 42.059 -0.031 0.000 0.908 536 L HN 0.256 nan 8.230 nan 0.000 0.438 537 P HA -0.134 nan 4.420 nan 0.000 0.222 537 P C 0.881 177.986 177.300 -0.325 0.000 1.147 537 P CA 1.251 64.216 63.100 -0.226 0.000 0.790 537 P CB -0.030 31.470 31.700 -0.334 0.000 0.780 538 H N -1.740 117.349 119.070 0.031 0.000 2.517 538 H HA 0.169 4.725 4.556 -0.000 0.000 0.282 538 H C 1.649 176.986 175.328 0.014 0.000 1.023 538 H CA -0.254 55.826 56.048 0.053 0.000 1.169 538 H CB -0.064 29.740 29.762 0.069 0.000 1.454 538 H HN 0.071 nan 8.280 nan 0.000 0.556 539 L N 1.731 122.986 121.223 0.053 0.000 2.013 539 L HA -0.200 4.139 4.340 -0.000 0.000 0.212 539 L C 2.464 179.364 176.870 0.049 0.000 1.073 539 L CA 1.911 56.765 54.840 0.023 0.000 0.753 539 L CB -0.400 41.660 42.059 0.002 0.000 0.890 539 L HN 0.225 nan 8.230 nan 0.000 0.432 540 E N -0.850 119.392 120.200 0.070 0.000 2.058 540 E HA -0.247 4.102 4.350 -0.000 0.000 0.194 540 E C 2.056 178.725 176.600 0.115 0.000 0.997 540 E CA 1.301 57.753 56.400 0.086 0.000 0.801 540 E CB -0.232 29.517 29.700 0.081 0.000 0.746 540 E HN 0.608 nan 8.360 nan 0.000 0.450 541 A N 0.589 123.511 122.820 0.169 0.000 1.969 541 A HA -0.078 4.241 4.320 -0.000 0.000 0.218 541 A C 2.143 179.896 177.584 0.281 0.000 1.169 541 A CA 0.804 53.005 52.037 0.274 0.000 0.635 541 A CB -0.436 18.818 19.000 0.424 0.000 0.810 541 A HN 0.309 nan 8.150 nan 0.000 0.445 542 L N -1.068 120.189 121.223 0.057 0.000 2.156 542 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 542 L C 2.788 179.660 176.870 0.003 0.000 1.095 542 L CA 1.190 55.949 54.840 -0.134 0.000 0.770 542 L CB -0.431 41.500 42.059 -0.213 0.000 0.914 542 L HN 0.469 nan 8.230 nan 0.000 0.439 543 Q N -0.578 119.247 119.800 0.041 0.000 2.172 543 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 543 Q C 2.223 178.268 176.000 0.073 0.000 0.964 543 Q CA 1.102 56.937 55.803 0.052 0.000 0.855 543 Q CB 0.010 28.786 28.738 0.063 0.000 0.918 543 Q HN 0.553 nan 8.270 nan 0.000 0.444 544 Q N -0.220 119.639 119.800 0.099 0.000 2.084 544 Q HA -0.165 4.174 4.340 -0.000 0.000 0.202 544 Q C 2.254 178.327 176.000 0.123 0.000 0.978 544 Q CA 1.446 57.314 55.803 0.108 0.000 0.844 544 Q CB -0.162 28.648 28.738 0.120 0.000 0.898 544 Q HN 0.195 nan 8.270 nan 0.000 0.426 545 S N 0.187 115.990 115.700 0.172 0.000 2.353 545 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 545 S C 2.009 176.677 174.600 0.113 0.000 1.035 545 S CA 1.240 59.555 58.200 0.192 0.000 1.025 545 S CB -0.240 63.154 63.200 0.324 0.000 0.902 545 S HN 0.468 nan 8.310 nan 0.000 0.440 546 A N 0.302 123.167 122.820 0.075 0.000 1.972 546 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 546 A C 2.392 179.997 177.584 0.035 0.000 1.169 546 A CA 2.130 54.190 52.037 0.039 0.000 0.635 546 A CB -1.152 17.856 19.000 0.013 0.000 0.810 546 A HN 0.622 nan 8.150 nan 0.000 0.446 547 S N -0.383 115.347 115.700 0.050 0.000 2.357 547 S HA 0.045 4.515 4.470 -0.000 0.000 0.221 547 S C 2.212 176.843 174.600 0.052 0.000 1.031 547 S CA 1.419 59.648 58.200 0.050 0.000 0.982 547 S CB -0.508 62.731 63.200 0.065 0.000 0.853 547 S HN 0.818 nan 8.310 nan 0.000 0.458 548 A N 1.733 124.590 122.820 0.063 0.000 1.883 548 A HA 0.023 4.342 4.320 -0.000 0.000 0.217 548 A C 2.247 179.855 177.584 0.040 0.000 1.186 548 A CA 1.635 53.707 52.037 0.059 0.000 0.624 548 A CB -0.977 18.062 19.000 0.065 0.000 0.822 548 A HN 0.591 nan 8.150 nan 0.000 0.444 549 L N -0.917 120.329 121.223 0.039 0.000 2.131 549 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 549 L C 3.048 179.913 176.870 -0.007 0.000 1.092 549 L CA 0.962 55.815 54.840 0.021 0.000 0.759 549 L CB -0.507 41.570 42.059 0.029 0.000 0.903 549 L HN 0.461 nan 8.230 nan 0.000 0.435 550 A N -0.222 122.590 122.820 -0.013 0.000 1.872 550 A HA -0.234 4.086 4.320 -0.000 0.000 0.214 550 A C 2.260 179.789 177.584 -0.092 0.000 1.187 550 A CA 1.623 53.627 52.037 -0.055 0.000 0.614 550 A CB -0.471 18.500 19.000 -0.049 0.000 0.826 550 A HN 0.417 nan 8.150 nan 0.000 0.442 551 E N -0.659 119.518 120.200 -0.038 0.000 2.118 551 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 551 E C 1.880 178.462 176.600 -0.030 0.000 0.992 551 E CA 1.223 57.611 56.400 -0.020 0.000 0.804 551 E CB -0.175 29.602 29.700 0.129 0.000 0.741 551 E HN 0.481 nan 8.360 nan 0.000 0.458 552 L N 1.023 122.239 121.223 -0.012 0.000 2.056 552 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 552 L C 2.053 178.900 176.870 -0.039 0.000 1.078 552 L CA 1.865 56.698 54.840 -0.012 0.000 0.749 552 L CB -0.266 41.789 42.059 -0.006 0.000 0.901 552 L HN 0.154 nan 8.230 nan 0.000 0.433 553 D N -1.057 119.307 120.400 -0.059 0.000 2.149 553 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 553 D C 2.126 178.358 176.300 -0.115 0.000 0.990 553 D CA 1.465 55.420 54.000 -0.075 0.000 0.839 553 D CB 0.058 40.810 40.800 -0.079 0.000 0.948 553 D HN 0.204 nan 8.370 nan 0.000 0.460 554 V N 0.404 120.204 119.914 -0.191 0.000 2.307 554 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 554 V C 2.689 178.699 176.094 -0.139 0.000 1.045 554 V CA 1.243 63.370 62.300 -0.289 0.000 1.024 554 V CB -0.407 30.987 31.823 -0.714 0.000 0.651 554 V HN 0.256 nan 8.190 nan 0.000 0.449 555 L N -0.729 120.458 121.223 -0.060 0.000 2.179 555 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 555 L C 2.406 179.269 176.870 -0.012 0.000 1.096 555 L CA 0.639 55.493 54.840 0.024 0.000 0.779 555 L CB -0.522 41.584 42.059 0.078 0.000 0.922 555 L HN 0.169 nan 8.230 nan 0.000 0.443 556 V N 0.545 120.445 119.914 -0.025 0.000 2.427 556 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 556 V C 2.262 178.338 176.094 -0.031 0.000 1.051 556 V CA 2.091 64.378 62.300 -0.021 0.000 1.048 556 V CB -0.694 31.121 31.823 -0.014 0.000 0.666 556 V HN 0.561 nan 8.190 nan 0.000 0.456 557 N N 0.408 119.082 118.700 -0.042 0.000 2.084 557 N HA -0.172 4.568 4.740 -0.000 0.000 0.190 557 N C 1.719 177.204 175.510 -0.041 0.000 1.030 557 N CA 1.736 54.759 53.050 -0.045 0.000 0.849 557 N CB -0.294 38.158 38.487 -0.059 0.000 1.012 557 N HN 0.433 nan 8.380 nan 0.000 0.423 558 L N -0.370 120.834 121.223 -0.031 0.000 2.141 558 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 558 L C 2.477 179.306 176.870 -0.069 0.000 1.094 558 L CA 0.970 55.802 54.840 -0.014 0.000 0.763 558 L CB -0.532 41.552 42.059 0.041 0.000 0.908 558 L HN 0.316 nan 8.230 nan 0.000 0.437 559 A N -0.421 122.345 122.820 -0.090 0.000 1.898 559 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 559 A C 2.325 179.864 177.584 -0.076 0.000 1.181 559 A CA 1.625 53.583 52.037 -0.132 0.000 0.620 559 A CB -0.419 18.521 19.000 -0.100 0.000 0.819 559 A HN 0.386 nan 8.150 nan 0.000 0.442 560 E N 0.214 120.386 120.200 -0.046 0.000 2.072 560 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 560 E C 2.123 178.697 176.600 -0.043 0.000 0.985 560 E CA 0.850 57.242 56.400 -0.014 0.000 0.801 560 E CB -0.251 29.439 29.700 -0.017 0.000 0.750 560 E HN 0.454 nan 8.360 nan 0.000 0.452 561 R N 0.409 120.853 120.500 -0.093 0.000 2.073 561 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 561 R C 2.405 178.494 176.300 -0.352 0.000 1.134 561 R CA 1.184 57.165 56.100 -0.199 0.000 0.952 561 R CB -1.049 29.167 30.300 -0.139 0.000 0.850 561 R HN 0.224 nan 8.270 nan 0.000 0.433 562 A N 0.574 123.276 122.820 -0.196 0.000 1.892 562 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 562 A C 2.138 179.707 177.584 -0.025 0.000 1.188 562 A CA 1.529 53.510 52.037 -0.092 0.000 0.631 562 A CB -0.843 18.120 19.000 -0.061 0.000 0.822 562 A HN 0.383 nan 8.150 nan 0.000 0.447 563 Y N 0.949 121.177 120.300 -0.122 0.000 2.184 563 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 563 Y C 2.805 178.648 175.900 -0.094 0.000 1.129 563 Y CA 2.035 60.095 58.100 -0.067 0.000 1.144 563 Y CB -0.728 37.698 38.460 -0.057 0.000 0.995 563 Y HN 0.324 nan 8.280 nan 0.000 0.513 564 T N 0.688 115.195 114.554 -0.078 0.000 2.746 564 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 564 T C 1.549 176.120 174.700 -0.216 0.000 1.039 564 T CA 1.790 63.795 62.100 -0.159 0.000 1.142 564 T CB -0.395 68.411 68.868 -0.104 0.000 0.866 564 T HN 0.243 nan 8.240 nan 0.000 0.444 565 L N 0.950 121.987 121.223 -0.311 0.000 2.700 565 L HA 0.308 4.648 4.340 -0.000 0.000 0.234 565 L C 0.049 176.825 176.870 -0.156 0.000 1.156 565 L CA -0.223 54.424 54.840 -0.321 0.000 0.946 565 L CB -0.352 41.328 42.059 -0.632 0.000 1.216 565 L HN 0.236 nan 8.230 nan 0.000 0.493 566 N N -0.122 118.517 118.700 -0.102 0.000 2.727 566 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 566 N C -0.713 174.952 175.510 0.259 0.000 1.040 566 N CA 0.709 53.785 53.050 0.044 0.000 0.712 566 N CB -1.042 37.464 38.487 0.032 0.000 0.912 566 N HN 0.231 nan 8.380 nan 0.000 0.545 567 Y N 0.242 120.588 120.300 0.077 0.000 2.392 567 Y HA 0.589 5.139 4.550 -0.000 0.000 0.323 567 Y C 1.365 177.339 175.900 0.125 0.000 1.291 567 Y CA -0.644 57.520 58.100 0.107 0.000 1.345 567 Y CB 1.001 39.562 38.460 0.167 0.000 1.320 567 Y HN -0.004 nan 8.280 nan 0.000 0.518 568 T N -0.315 114.342 114.554 0.171 0.000 2.883 568 T HA 0.335 4.685 4.350 -0.000 0.000 0.296 568 T C -1.361 173.071 174.700 -0.447 0.000 1.117 568 T CA -0.513 61.529 62.100 -0.097 0.000 1.006 568 T CB 0.870 69.689 68.868 -0.080 0.000 1.191 568 T HN 0.767 nan 8.240 nan 0.000 0.508 569 C N 5.703 124.549 119.300 -0.757 0.000 2.373 569 C HA 0.670 5.130 4.460 -0.000 0.000 0.354 569 C C -2.074 172.628 174.990 -0.479 0.000 1.249 569 C CA -1.689 56.779 59.018 -0.917 0.000 1.784 569 C CB -0.274 26.914 27.740 -0.920 0.000 2.408 569 C HN 0.648 nan 8.230 nan 0.000 0.542 570 P HA 0.274 nan 4.420 nan 0.000 0.275 570 P C -0.310 176.612 177.300 -0.630 0.000 1.228 570 P CA 0.288 63.126 63.100 -0.437 0.000 0.786 570 P CB 0.903 32.356 31.700 -0.411 0.000 0.927 571 T N -0.887 113.335 114.554 -0.554 0.000 2.952 571 T HA 0.671 5.021 4.350 -0.000 0.000 0.286 571 T C -0.485 173.817 174.700 -0.662 0.000 1.024 571 T CA -0.527 61.210 62.100 -0.605 0.000 1.029 571 T CB 0.524 69.231 68.868 -0.269 0.000 1.094 571 T HN 0.082 nan 8.240 nan 0.000 0.515 572 F N 1.280 121.201 119.950 -0.049 0.000 2.469 572 F HA 0.627 5.154 4.527 -0.000 0.000 0.332 572 F C 0.439 176.246 175.800 0.012 0.000 1.103 572 F CA -1.774 56.215 58.000 -0.018 0.000 0.979 572 F CB 1.418 40.405 39.000 -0.020 0.000 1.137 572 F HN 0.700 nan 8.300 nan 0.000 0.463 573 I N -1.133 119.570 120.570 0.222 0.000 2.863 573 I HA 0.552 4.721 4.170 -0.000 0.000 0.311 573 I C -0.018 176.188 176.117 0.149 0.000 1.026 573 I CA -0.754 60.632 61.300 0.143 0.000 1.077 573 I CB 2.035 40.092 38.000 0.094 0.000 1.262 573 I HN 0.374 nan 8.210 nan 0.000 0.461 574 D N 1.821 122.287 120.400 0.110 0.000 2.234 574 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 574 D C 0.160 176.533 176.300 0.121 0.000 0.962 574 D CA 1.407 55.469 54.000 0.103 0.000 0.855 574 D CB 0.285 41.131 40.800 0.076 0.000 0.951 574 D HN 0.468 nan 8.370 nan 0.000 0.500 575 K N 0.231 120.696 120.400 0.109 0.000 2.166 575 K HA 0.396 4.716 4.320 -0.000 0.000 0.245 575 K C -2.598 174.066 176.600 0.107 0.000 0.967 575 K CA -1.981 54.369 56.287 0.104 0.000 0.863 575 K CB 1.827 34.361 32.500 0.057 0.000 1.107 575 K HN -0.240 nan 8.250 nan 0.000 0.436 576 P HA 0.160 nan 4.420 nan 0.000 0.268 576 P C -0.816 176.522 177.300 0.062 0.000 1.205 576 P CA -0.125 63.025 63.100 0.083 0.000 0.771 576 P CB 0.812 32.513 31.700 0.001 0.000 0.858 577 G N 1.551 110.401 108.800 0.083 0.000 2.404 577 G HA2 0.505 4.465 3.960 -0.000 0.000 0.298 577 G HA3 0.505 4.465 3.960 -0.000 0.000 0.298 577 G C -1.983 172.963 174.900 0.077 0.000 1.577 577 G CA -0.592 44.547 45.100 0.065 0.000 0.847 577 G HN 0.382 nan 8.290 nan 0.000 0.598 578 I N 0.554 121.159 120.570 0.058 0.000 2.512 578 I HA 0.505 4.675 4.170 -0.000 0.000 0.287 578 I C -0.401 175.737 176.117 0.036 0.000 1.069 578 I CA -0.793 60.538 61.300 0.052 0.000 1.056 578 I CB 2.493 40.523 38.000 0.049 0.000 1.229 578 I HN 0.295 nan 8.210 nan 0.000 0.429 579 R N 6.578 127.092 120.500 0.023 0.000 2.388 579 R HA 0.701 5.041 4.340 -0.000 0.000 0.314 579 R C -1.113 175.191 176.300 0.006 0.000 0.959 579 R CA -0.473 55.638 56.100 0.018 0.000 0.851 579 R CB 2.138 32.445 30.300 0.011 0.000 1.168 579 R HN 0.558 nan 8.270 nan 0.000 0.472 580 I N 1.791 122.371 120.570 0.018 0.000 2.474 580 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 580 I C -0.218 175.917 176.117 0.031 0.000 1.005 580 I CA -0.695 60.613 61.300 0.012 0.000 1.113 580 I CB 2.530 40.539 38.000 0.015 0.000 1.289 580 I HN 0.421 nan 8.210 nan 0.000 0.436 581 T N 4.304 118.870 114.554 0.020 0.000 2.792 581 T HA 0.226 4.575 4.350 -0.000 0.000 0.280 581 T C -0.062 174.662 174.700 0.040 0.000 0.990 581 T CA -0.468 61.650 62.100 0.031 0.000 0.960 581 T CB 1.238 70.115 68.868 0.015 0.000 0.939 581 T HN 0.552 nan 8.240 nan 0.000 0.439 582 E N 0.935 121.172 120.200 0.062 0.000 2.238 582 E HA -0.152 4.198 4.350 -0.000 0.000 0.219 582 E C 0.703 177.360 176.600 0.095 0.000 1.275 582 E CA 0.726 57.175 56.400 0.082 0.000 0.714 582 E CB -1.360 28.381 29.700 0.067 0.000 1.154 582 E HN 0.936 nan 8.360 nan 0.000 0.363 583 G N 0.343 109.202 108.800 0.099 0.000 2.491 583 G HA2 0.291 4.251 3.960 -0.000 0.000 0.238 583 G HA3 0.291 4.251 3.960 -0.000 0.000 0.238 583 G C 0.212 175.217 174.900 0.175 0.000 1.277 583 G CA -0.294 44.857 45.100 0.086 0.000 0.851 583 G HN 0.109 nan 8.290 nan 0.000 0.573 584 R N -0.636 119.922 120.500 0.097 0.000 2.837 584 R HA 0.328 4.668 4.340 -0.000 0.000 0.271 584 R C -0.515 175.726 176.300 -0.099 0.000 0.993 584 R CA -0.954 55.196 56.100 0.083 0.000 0.931 584 R CB 1.404 31.634 30.300 -0.117 0.000 1.206 584 R HN 0.655 nan 8.270 nan 0.000 0.474 585 H N 4.384 123.233 119.070 -0.369 0.000 2.800 585 H HA 0.125 4.681 4.556 -0.000 0.000 0.291 585 H C -1.635 173.470 175.328 -0.372 0.000 1.076 585 H CA -1.926 53.956 56.048 -0.276 0.000 1.452 585 H CB 1.400 31.102 29.762 -0.100 0.000 1.461 585 H HN 0.358 nan 8.280 nan 0.000 0.488 586 P HA -0.135 nan 4.420 nan 0.000 0.220 586 P C 1.243 178.530 177.300 -0.022 0.000 1.148 586 P CA 0.633 63.646 63.100 -0.145 0.000 0.803 586 P CB 0.718 32.318 31.700 -0.166 0.000 0.782 587 V N -0.170 119.792 119.914 0.081 0.000 2.374 587 V HA -0.096 4.024 4.120 -0.000 0.000 0.241 587 V C 2.830 179.007 176.094 0.139 0.000 1.034 587 V CA 1.063 63.451 62.300 0.148 0.000 1.037 587 V CB -1.144 30.807 31.823 0.213 0.000 0.682 587 V HN -0.115 nan 8.190 nan 0.000 0.463 588 V N 1.844 121.893 119.914 0.225 0.000 2.392 588 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 588 V C 2.568 178.643 176.094 -0.032 0.000 1.059 588 V CA 2.423 64.734 62.300 0.017 0.000 1.051 588 V CB -0.930 30.856 31.823 -0.061 0.000 0.658 588 V HN 0.886 nan 8.190 nan 0.000 0.455 589 E N -0.371 119.688 120.200 -0.235 0.000 2.347 589 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 589 E C 1.871 178.448 176.600 -0.039 0.000 1.008 589 E CA 0.885 57.151 56.400 -0.224 0.000 0.852 589 E CB -0.108 29.332 29.700 -0.435 0.000 0.783 589 E HN 0.547 nan 8.360 nan 0.000 0.505 590 Q N 0.092 119.883 119.800 -0.015 0.000 2.392 590 Q HA 0.128 4.467 4.340 -0.000 0.000 0.219 590 Q C 2.091 178.103 176.000 0.019 0.000 0.895 590 Q CA 0.404 56.211 55.803 0.008 0.000 0.929 590 Q CB 0.850 29.595 28.738 0.012 0.000 1.077 590 Q HN 0.238 nan 8.270 nan 0.000 0.532 591 V N 0.519 120.449 119.914 0.027 0.000 2.492 591 V HA 0.056 4.176 4.120 -0.000 0.000 0.241 591 V C 1.082 177.196 176.094 0.034 0.000 1.041 591 V CA 0.669 62.987 62.300 0.031 0.000 1.057 591 V CB 0.211 32.055 31.823 0.035 0.000 0.711 591 V HN 0.132 nan 8.190 nan 0.000 0.468 592 L N 1.146 122.397 121.223 0.046 0.000 2.350 592 L HA 0.347 4.686 4.340 -0.000 0.000 0.275 592 L C 0.585 177.483 176.870 0.045 0.000 1.099 592 L CA -0.246 54.623 54.840 0.048 0.000 0.808 592 L CB 0.421 42.516 42.059 0.060 0.000 1.149 592 L HN 0.174 nan 8.230 nan 0.000 0.442 593 N N 1.251 119.971 118.700 0.034 0.000 2.322 593 N HA 0.046 4.786 4.740 -0.000 0.000 0.216 593 N C -0.313 175.212 175.510 0.026 0.000 1.144 593 N CA 0.121 53.188 53.050 0.028 0.000 0.830 593 N CB 0.152 38.652 38.487 0.021 0.000 1.034 593 N HN 0.537 nan 8.380 nan 0.000 0.484 594 E N 1.345 121.562 120.200 0.028 0.000 2.195 594 E HA 0.341 4.691 4.350 -0.000 0.000 0.271 594 E C -2.380 174.230 176.600 0.016 0.000 0.923 594 E CA -2.287 54.119 56.400 0.010 0.000 0.790 594 E CB 1.369 31.064 29.700 -0.008 0.000 1.155 594 E HN -0.028 nan 8.360 nan 0.000 0.402 595 P HA -0.090 nan 4.420 nan 0.000 0.260 595 P C -0.752 176.551 177.300 0.005 0.000 1.172 595 P CA 0.319 63.428 63.100 0.016 0.000 0.760 595 P CB 0.045 31.735 31.700 -0.015 0.000 0.773 596 F N 4.418 124.340 119.950 -0.047 0.000 2.399 596 F HA 0.257 4.784 4.527 -0.000 0.000 0.342 596 F C 0.354 176.131 175.800 -0.038 0.000 1.106 596 F CA -0.621 57.345 58.000 -0.057 0.000 1.196 596 F CB 0.522 39.517 39.000 -0.008 0.000 1.163 596 F HN 0.144 nan 8.300 nan 0.000 0.547 597 I N 6.173 126.216 120.570 -0.878 0.000 2.312 597 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 597 I C 0.359 176.303 176.117 -0.288 0.000 1.008 597 I CA -0.573 60.474 61.300 -0.422 0.000 1.226 597 I CB 0.283 38.092 38.000 -0.318 0.000 1.371 597 I HN 0.669 nan 8.210 nan 0.000 0.468 598 A N 7.370 130.220 122.820 0.050 0.000 2.371 598 A HA 0.553 4.873 4.320 -0.000 0.000 0.257 598 A C 0.057 177.715 177.584 0.124 0.000 1.089 598 A CA -0.326 51.827 52.037 0.194 0.000 0.794 598 A CB 0.400 19.511 19.000 0.185 0.000 1.029 598 A HN 0.775 nan 8.150 nan 0.000 0.488 599 N N 0.829 119.643 118.700 0.191 0.000 2.242 599 N HA 0.564 5.304 4.740 -0.000 0.000 0.292 599 N C -3.073 172.560 175.510 0.204 0.000 1.125 599 N CA -1.033 52.126 53.050 0.182 0.000 0.783 599 N CB 2.614 41.265 38.487 0.272 0.000 1.558 599 N HN 0.427 nan 8.380 nan 0.000 0.472 600 P HA 0.395 nan 4.420 nan 0.000 0.276 600 P C -0.996 176.438 177.300 0.222 0.000 1.261 600 P CA -0.498 62.689 63.100 0.144 0.000 0.800 600 P CB 1.276 33.029 31.700 0.089 0.000 1.066 601 L N 0.795 122.108 121.223 0.150 0.000 2.549 601 L HA 0.563 4.902 4.340 -0.000 0.000 0.259 601 L C -1.803 175.119 176.870 0.087 0.000 0.934 601 L CA -0.383 54.547 54.840 0.151 0.000 0.865 601 L CB 1.848 43.967 42.059 0.100 0.000 1.352 601 L HN 0.329 nan 8.230 nan 0.000 0.410 602 N N 4.977 123.728 118.700 0.084 0.000 2.609 602 N HA 0.504 5.244 4.740 -0.000 0.000 0.268 602 N C -2.149 173.393 175.510 0.053 0.000 1.106 602 N CA -0.227 52.857 53.050 0.056 0.000 0.823 602 N CB 0.682 39.198 38.487 0.048 0.000 1.263 602 N HN 0.669 nan 8.380 nan 0.000 0.533 603 L N 1.766 123.017 121.223 0.046 0.000 2.322 603 L HA 0.691 5.031 4.340 -0.000 0.000 0.281 603 L C 0.114 177.002 176.870 0.031 0.000 1.014 603 L CA -0.597 54.267 54.840 0.040 0.000 0.815 603 L CB 1.693 43.778 42.059 0.044 0.000 1.247 603 L HN 0.655 nan 8.230 nan 0.000 0.421 604 S N 1.829 117.541 115.700 0.020 0.000 2.656 604 S HA 0.559 5.029 4.470 -0.000 0.000 0.273 604 S C -2.571 172.027 174.600 -0.002 0.000 1.168 604 S CA -1.122 57.086 58.200 0.013 0.000 0.817 604 S CB 1.903 65.111 63.200 0.013 0.000 1.146 604 S HN 0.272 nan 8.310 nan 0.000 0.475 605 P HA -0.012 nan 4.420 nan 0.000 0.218 605 P C 0.960 178.246 177.300 -0.024 0.000 1.148 605 P CA 1.276 64.360 63.100 -0.027 0.000 0.822 605 P CB -0.009 31.672 31.700 -0.031 0.000 0.784 606 Q N -1.540 118.252 119.800 -0.014 0.000 2.435 606 Q HA 0.031 4.371 4.340 -0.000 0.000 0.207 606 Q C 0.968 176.959 176.000 -0.014 0.000 0.956 606 Q CA 0.648 56.443 55.803 -0.015 0.000 0.917 606 Q CB 0.021 28.754 28.738 -0.008 0.000 0.997 606 Q HN 0.105 nan 8.270 nan 0.000 0.497 607 R N 0.274 120.769 120.500 -0.009 0.000 2.855 607 R HA 0.214 4.554 4.340 -0.000 0.000 0.261 607 R C -0.422 175.879 176.300 0.001 0.000 1.826 607 R CA -0.053 56.045 56.100 -0.004 0.000 1.435 607 R CB 0.280 30.584 30.300 0.007 0.000 1.383 607 R HN 0.094 nan 8.270 nan 0.000 0.583 608 R N 2.102 122.596 120.500 -0.010 0.000 2.404 608 R HA 0.313 4.653 4.340 -0.000 0.000 0.237 608 R C 0.486 176.788 176.300 0.004 0.000 0.907 608 R CA -0.178 55.919 56.100 -0.005 0.000 1.063 608 R CB 0.809 31.096 30.300 -0.022 0.000 1.134 608 R HN 0.231 nan 8.270 nan 0.000 0.529 609 M N 1.624 121.223 119.600 -0.003 0.000 2.324 609 M HA 0.400 4.879 4.480 -0.000 0.000 0.288 609 M C -1.928 174.384 176.300 0.019 0.000 1.097 609 M CA -0.747 54.559 55.300 0.009 0.000 0.928 609 M CB 2.140 34.715 32.600 -0.042 0.000 1.648 609 M HN 0.008 nan 8.290 nan 0.000 0.460 610 L N 5.737 127.003 121.223 0.071 0.000 2.296 610 L HA 0.534 4.874 4.340 -0.000 0.000 0.286 610 L C -0.568 176.370 176.870 0.114 0.000 1.023 610 L CA -0.975 53.916 54.840 0.085 0.000 0.812 610 L CB 1.681 43.820 42.059 0.132 0.000 1.223 610 L HN 0.625 nan 8.230 nan 0.000 0.421 611 I N 5.144 125.756 120.570 0.070 0.000 2.301 611 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 611 I C 0.225 176.414 176.117 0.120 0.000 1.046 611 I CA -0.071 61.289 61.300 0.100 0.000 1.282 611 I CB 0.919 38.914 38.000 -0.008 0.000 1.409 611 I HN 0.460 nan 8.210 nan 0.000 0.484 612 I N 6.780 127.446 120.570 0.159 0.000 2.307 612 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 612 I C 0.839 177.036 176.117 0.134 0.000 1.054 612 I CA -0.321 61.058 61.300 0.133 0.000 1.218 612 I CB 0.900 38.978 38.000 0.131 0.000 1.398 612 I HN 0.542 nan 8.210 nan 0.000 0.475 613 T N 2.109 116.753 114.554 0.150 0.000 2.884 613 T HA 0.893 5.243 4.350 -0.000 0.000 0.277 613 T C 0.378 175.193 174.700 0.192 0.000 0.976 613 T CA -0.305 61.895 62.100 0.167 0.000 0.956 613 T CB 2.009 70.983 68.868 0.177 0.000 1.113 613 T HN 1.000 nan 8.240 nan 0.000 0.554 614 G N 0.537 109.457 108.800 0.200 0.000 2.541 614 G HA2 0.136 4.096 3.960 -0.000 0.000 0.686 614 G HA3 0.136 4.096 3.960 -0.000 0.000 0.686 614 G C -3.176 171.814 174.900 0.149 0.000 1.286 614 G CA -0.763 44.469 45.100 0.220 0.000 0.894 614 G HN 0.801 nan 8.290 nan 0.000 0.575 615 P HA 0.073 nan 4.420 nan 0.000 0.265 615 P C 0.480 177.708 177.300 -0.120 0.000 1.193 615 P CA -0.012 63.079 63.100 -0.016 0.000 0.765 615 P CB 0.916 32.559 31.700 -0.096 0.000 0.823 616 N N 3.819 122.427 118.700 -0.153 0.000 2.158 616 N HA -0.029 4.711 4.740 -0.000 0.000 0.190 616 N C 1.092 176.437 175.510 -0.274 0.000 1.060 616 N CA 1.005 53.959 53.050 -0.160 0.000 0.872 616 N CB -0.431 37.994 38.487 -0.103 0.000 1.055 616 N HN 0.265 nan 8.380 nan 0.000 0.452 617 M N -0.777 118.636 119.600 -0.311 0.000 2.762 617 M HA -0.217 4.262 4.480 -0.000 0.000 0.190 617 M C 1.043 177.211 176.300 -0.220 0.000 0.586 617 M CA 1.296 56.376 55.300 -0.367 0.000 0.620 617 M CB -2.480 29.668 32.600 -0.755 0.000 2.269 617 M HN 0.601 nan 8.290 nan 0.000 0.563 618 G N -1.795 106.923 108.800 -0.138 0.000 2.397 618 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.211 618 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.211 618 G C 0.891 175.773 174.900 -0.029 0.000 1.077 618 G CA 0.633 45.700 45.100 -0.055 0.000 0.649 618 G HN 1.070 nan 8.290 nan 0.000 0.511 619 G N 0.575 109.295 108.800 -0.134 0.000 2.440 619 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.218 619 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.218 619 G C 1.589 176.497 174.900 0.012 0.000 1.154 619 G CA 1.862 46.892 45.100 -0.116 0.000 0.767 619 G HN 0.601 nan 8.290 nan 0.000 0.552 620 K N 0.277 120.673 120.400 -0.006 0.000 2.057 620 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 620 K C 2.990 179.671 176.600 0.135 0.000 1.050 620 K CA 1.194 57.526 56.287 0.076 0.000 0.935 620 K CB -0.123 32.401 32.500 0.040 0.000 0.715 620 K HN 0.245 nan 8.250 nan 0.000 0.439 621 S N 0.263 116.006 115.700 0.073 0.000 2.368 621 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 621 S C 1.979 176.645 174.600 0.109 0.000 1.030 621 S CA 1.571 59.814 58.200 0.071 0.000 0.999 621 S CB -0.243 62.975 63.200 0.030 0.000 0.844 621 S HN 0.330 nan 8.310 nan 0.000 0.459 622 T N 0.650 115.279 114.554 0.125 0.000 2.777 622 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 622 T C 1.556 176.418 174.700 0.269 0.000 1.040 622 T CA 1.119 63.312 62.100 0.155 0.000 1.141 622 T CB -0.403 68.564 68.868 0.165 0.000 0.868 622 T HN 0.499 nan 8.240 nan 0.000 0.444 623 Y N 1.226 121.612 120.300 0.143 0.000 2.207 623 Y HA -0.090 4.460 4.550 -0.000 0.000 0.287 623 Y C 2.182 178.158 175.900 0.127 0.000 1.156 623 Y CA 1.315 59.499 58.100 0.140 0.000 1.182 623 Y CB -0.318 38.194 38.460 0.087 0.000 0.979 623 Y HN 0.166 nan 8.280 nan 0.000 0.521 624 M N -0.922 118.717 119.600 0.066 0.000 2.193 624 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 624 M C 2.236 178.534 176.300 -0.003 0.000 1.071 624 M CA 1.430 56.719 55.300 -0.019 0.000 1.140 624 M CB -0.154 32.486 32.600 0.067 0.000 1.369 624 M HN 0.098 nan 8.290 nan 0.000 0.423 625 R N 0.425 120.976 120.500 0.086 0.000 2.148 625 R HA -0.147 4.192 4.340 -0.000 0.000 0.223 625 R C 2.241 178.604 176.300 0.105 0.000 1.088 625 R CA 1.316 57.489 56.100 0.121 0.000 0.985 625 R CB -0.242 30.183 30.300 0.209 0.000 0.880 625 R HN 0.576 nan 8.270 nan 0.000 0.451 626 Q N -0.173 119.713 119.800 0.144 0.000 2.172 626 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 626 Q C 1.247 177.206 176.000 -0.068 0.000 0.964 626 Q CA 1.534 57.358 55.803 0.035 0.000 0.855 626 Q CB -0.163 28.671 28.738 0.160 0.000 0.918 626 Q HN 0.027 nan 8.270 nan 0.000 0.444 627 T N 1.557 116.048 114.554 -0.106 0.000 2.684 627 T HA -0.135 4.215 4.350 -0.000 0.000 0.267 627 T C 2.032 176.701 174.700 -0.051 0.000 1.036 627 T CA 1.695 63.726 62.100 -0.116 0.000 1.148 627 T CB -0.427 68.337 68.868 -0.174 0.000 0.863 627 T HN 0.536 nan 8.240 nan 0.000 0.436 628 A N 0.923 123.725 122.820 -0.030 0.000 1.930 628 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 628 A C 2.310 179.882 177.584 -0.021 0.000 1.175 628 A CA 1.062 53.095 52.037 -0.007 0.000 0.627 628 A CB -0.767 18.239 19.000 0.009 0.000 0.815 628 A HN 0.471 nan 8.150 nan 0.000 0.443 629 L N -0.755 120.429 121.223 -0.065 0.000 2.156 629 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 629 L C 2.403 179.214 176.870 -0.098 0.000 1.095 629 L CA 0.754 55.530 54.840 -0.107 0.000 0.770 629 L CB -0.356 41.558 42.059 -0.242 0.000 0.914 629 L HN 0.385 nan 8.230 nan 0.000 0.439 630 I N -0.260 120.252 120.570 -0.097 0.000 2.163 630 I HA -0.275 3.895 4.170 -0.000 0.000 0.240 630 I C 2.811 178.921 176.117 -0.011 0.000 1.081 630 I CA 1.148 62.396 61.300 -0.088 0.000 1.353 630 I CB -0.368 37.577 38.000 -0.091 0.000 1.054 630 I HN 0.189 nan 8.210 nan 0.000 0.407 631 A N 1.014 123.859 122.820 0.041 0.000 1.892 631 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 631 A C 2.241 179.955 177.584 0.216 0.000 1.188 631 A CA 2.036 54.169 52.037 0.159 0.000 0.631 631 A CB -1.010 18.073 19.000 0.138 0.000 0.822 631 A HN 0.456 nan 8.150 nan 0.000 0.447 632 L N -0.595 120.695 121.223 0.112 0.000 2.042 632 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 632 L C 2.254 179.194 176.870 0.116 0.000 1.076 632 L CA 2.355 57.261 54.840 0.111 0.000 0.749 632 L CB -1.084 41.004 42.059 0.047 0.000 0.893 632 L HN 0.480 nan 8.230 nan 0.000 0.432 633 M N -0.453 119.182 119.600 0.058 0.000 2.123 633 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 633 M C 2.359 178.691 176.300 0.054 0.000 1.069 633 M CA 1.573 56.901 55.300 0.045 0.000 1.133 633 M CB -0.595 31.991 32.600 -0.023 0.000 1.356 633 M HN 0.407 nan 8.290 nan 0.000 0.415 634 A N -0.076 122.754 122.820 0.016 0.000 1.927 634 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 634 A C 1.572 179.097 177.584 -0.099 0.000 1.185 634 A CA 1.806 53.812 52.037 -0.053 0.000 0.639 634 A CB -1.192 17.739 19.000 -0.114 0.000 0.820 634 A HN 0.575 nan 8.150 nan 0.000 0.451 635 Y N -1.288 119.082 120.300 0.116 0.000 2.462 635 Y HA 0.290 4.840 4.550 -0.000 0.000 0.293 635 Y C 1.602 177.507 175.900 0.009 0.000 1.195 635 Y CA 0.073 58.203 58.100 0.050 0.000 1.276 635 Y CB 0.110 38.573 38.460 0.006 0.000 1.082 635 Y HN 0.371 nan 8.280 nan 0.000 0.514 636 I N -1.421 119.216 120.570 0.112 0.000 3.941 636 I HA 0.156 4.325 4.170 -0.000 0.000 0.321 636 I C 1.454 177.595 176.117 0.040 0.000 1.284 636 I CA 0.996 62.341 61.300 0.076 0.000 1.226 636 I CB 0.181 38.271 38.000 0.149 0.000 1.045 636 I HN 0.338 nan 8.210 nan 0.000 0.420 637 G N 1.175 110.018 108.800 0.070 0.000 2.159 637 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.227 637 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.227 637 G C 0.420 175.426 174.900 0.177 0.000 0.986 637 G CA 0.471 45.630 45.100 0.099 0.000 0.651 637 G HN 0.462 nan 8.290 nan 0.000 0.523 638 S N -0.706 115.106 115.700 0.187 0.000 2.632 638 S HA 0.697 5.167 4.470 -0.000 0.000 0.267 638 S C 0.644 175.448 174.600 0.340 0.000 1.276 638 S CA -0.605 57.737 58.200 0.238 0.000 0.998 638 S CB 0.495 63.819 63.200 0.206 0.000 0.953 638 S HN 0.281 nan 8.310 nan 0.000 0.547 639 Y N 0.891 121.266 120.300 0.125 0.000 2.296 639 Y HA 0.424 4.974 4.550 -0.000 0.000 0.343 639 Y C 0.724 176.634 175.900 0.017 0.000 1.292 639 Y CA -1.058 57.110 58.100 0.114 0.000 1.490 639 Y CB 0.381 38.967 38.460 0.209 0.000 1.359 639 Y HN 0.504 nan 8.280 nan 0.000 0.599 640 V N -0.831 119.063 119.914 -0.033 0.000 2.925 640 V HA 0.565 4.684 4.120 -0.000 0.000 0.311 640 V C -2.866 172.916 176.094 -0.520 0.000 1.104 640 V CA -2.889 59.176 62.300 -0.392 0.000 0.954 640 V CB 2.157 33.847 31.823 -0.222 0.000 1.022 640 V HN 0.570 nan 8.190 nan 0.000 0.427 641 P HA 0.468 nan 4.420 nan 0.000 0.259 641 P C -0.256 176.967 177.300 -0.127 0.000 1.635 641 P CA 0.675 63.536 63.100 -0.398 0.000 1.199 641 P CB 0.194 31.655 31.700 -0.399 0.000 1.850 642 A N 2.785 125.576 122.820 -0.049 0.000 2.601 642 A HA 0.346 4.666 4.320 -0.000 0.000 0.291 642 A C 0.809 178.394 177.584 0.003 0.000 1.075 642 A CA -0.484 51.542 52.037 -0.018 0.000 0.671 642 A CB 0.842 19.810 19.000 -0.052 0.000 1.277 642 A HN 0.147 nan 8.150 nan 0.000 0.417 643 Q N 0.149 119.955 119.800 0.009 0.000 2.245 643 Q HA 0.103 4.443 4.340 -0.000 0.000 0.201 643 Q C 0.166 176.151 176.000 -0.025 0.000 0.955 643 Q CA 1.170 56.975 55.803 0.003 0.000 0.870 643 Q CB 0.264 29.009 28.738 0.013 0.000 0.945 643 Q HN 0.542 nan 8.270 nan 0.000 0.461 644 K N -0.330 120.049 120.400 -0.035 0.000 2.569 644 K HA 0.395 4.715 4.320 -0.000 0.000 0.259 644 K C -1.931 174.629 176.600 -0.066 0.000 0.932 644 K CA -0.254 55.998 56.287 -0.059 0.000 0.833 644 K CB 2.212 34.686 32.500 -0.043 0.000 1.340 644 K HN -0.215 nan 8.250 nan 0.000 0.429 645 V N 3.167 123.019 119.914 -0.104 0.000 2.569 645 V HA 0.348 4.468 4.120 -0.000 0.000 0.301 645 V C -0.986 175.028 176.094 -0.132 0.000 1.044 645 V CA -0.801 61.437 62.300 -0.103 0.000 0.874 645 V CB 1.838 33.589 31.823 -0.121 0.000 1.002 645 V HN 0.760 nan 8.190 nan 0.000 0.424 646 E N 4.256 124.405 120.200 -0.084 0.000 2.179 646 E HA 0.745 5.095 4.350 -0.000 0.000 0.275 646 E C -1.068 175.523 176.600 -0.016 0.000 0.945 646 E CA -0.635 55.719 56.400 -0.077 0.000 0.792 646 E CB 3.149 32.827 29.700 -0.038 0.000 1.125 646 E HN 0.597 nan 8.360 nan 0.000 0.397 647 I N 1.353 121.941 120.570 0.029 0.000 2.680 647 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 647 I C -0.264 176.019 176.117 0.277 0.000 1.244 647 I CA -0.429 60.962 61.300 0.152 0.000 1.042 647 I CB 1.539 39.647 38.000 0.180 0.000 1.277 647 I HN 0.664 nan 8.210 nan 0.000 0.423 648 G N 6.098 115.045 108.800 0.246 0.000 2.525 648 G HA2 0.589 4.549 3.960 -0.000 0.000 0.287 648 G HA3 0.589 4.549 3.960 -0.000 0.000 0.287 648 G C -2.821 172.261 174.900 0.303 0.000 1.350 648 G CA -1.120 44.131 45.100 0.251 0.000 1.039 648 G HN 0.396 nan 8.290 nan 0.000 0.513 649 P HA 0.356 nan 4.420 nan 0.000 0.275 649 P C -0.771 176.552 177.300 0.037 0.000 1.228 649 P CA 0.078 63.236 63.100 0.097 0.000 0.786 649 P CB 1.398 33.123 31.700 0.042 0.000 0.927 650 I N 2.537 122.982 120.570 -0.207 0.000 2.512 650 I HA 0.133 4.303 4.170 -0.000 0.000 0.287 650 I C 0.969 176.952 176.117 -0.223 0.000 1.069 650 I CA -0.503 60.697 61.300 -0.166 0.000 1.056 650 I CB 2.418 40.279 38.000 -0.231 0.000 1.229 650 I HN 0.350 nan 8.210 nan 0.000 0.429 651 D N 5.573 125.919 120.400 -0.089 0.000 2.301 651 D HA 0.034 4.674 4.640 -0.000 0.000 0.206 651 D C 0.390 176.622 176.300 -0.114 0.000 0.979 651 D CA 0.623 54.558 54.000 -0.109 0.000 0.874 651 D CB 0.486 41.253 40.800 -0.055 0.000 0.968 651 D HN 0.419 nan 8.370 nan 0.000 0.510 652 R N -0.686 119.757 120.500 -0.094 0.000 2.643 652 R HA 0.623 4.963 4.340 -0.000 0.000 0.269 652 R C -1.140 175.040 176.300 -0.199 0.000 1.037 652 R CA -0.596 55.379 56.100 -0.209 0.000 0.894 652 R CB 2.180 32.318 30.300 -0.270 0.000 1.238 652 R HN -0.072 nan 8.270 nan 0.000 0.459 653 I N 2.207 122.585 120.570 -0.320 0.000 2.436 653 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 653 I C -1.142 174.774 176.117 -0.335 0.000 1.010 653 I CA -0.614 60.575 61.300 -0.185 0.000 1.098 653 I CB 1.427 39.373 38.000 -0.090 0.000 1.266 653 I HN 0.391 nan 8.210 nan 0.000 0.434 654 F N 3.422 123.376 119.950 0.008 0.000 2.460 654 F HA 0.407 4.934 4.527 -0.000 0.000 0.341 654 F C 0.325 176.129 175.800 0.006 0.000 1.130 654 F CA -0.694 57.310 58.000 0.007 0.000 0.962 654 F CB 2.163 41.170 39.000 0.010 0.000 1.171 654 F HN 0.273 nan 8.300 nan 0.000 0.436 655 T N 1.512 116.161 114.554 0.158 0.000 2.864 655 T HA 0.418 4.768 4.350 -0.000 0.000 0.299 655 T C -0.530 174.219 174.700 0.081 0.000 1.011 655 T CA -0.895 61.266 62.100 0.102 0.000 0.975 655 T CB 0.817 69.724 68.868 0.066 0.000 0.962 655 T HN 0.605 nan 8.240 nan 0.000 0.448 656 R N 4.191 124.727 120.500 0.060 0.000 3.785 656 R HA 0.561 4.900 4.340 -0.000 0.000 0.255 656 R C -1.436 174.867 176.300 0.005 0.000 1.485 656 R CA -0.390 55.727 56.100 0.028 0.000 1.555 656 R CB -0.592 29.713 30.300 0.008 0.000 1.362 656 R HN 0.485 nan 8.270 nan 0.000 0.702 657 V N 2.230 122.154 119.914 0.017 0.000 2.448 657 V HA 0.870 4.990 4.120 -0.000 0.000 0.295 657 V C 0.663 176.764 176.094 0.013 0.000 1.025 657 V CA -0.024 62.283 62.300 0.013 0.000 0.859 657 V CB 1.134 32.974 31.823 0.028 0.000 0.988 657 V HN 0.865 nan 8.190 nan 0.000 0.431 670 F N 1.619 121.582 119.950 0.021 0.000 2.120 670 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 670 F C 2.230 178.049 175.800 0.032 0.000 1.095 670 F CA 1.785 59.803 58.000 0.031 0.000 1.249 670 F CB -0.352 38.670 39.000 0.036 0.000 0.995 670 F HN 0.547 nan 8.300 nan 0.000 0.480 671 M N -0.583 119.031 119.600 0.022 0.000 2.117 671 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 671 M C 2.202 178.440 176.300 -0.103 0.000 1.065 671 M CA 1.236 56.491 55.300 -0.075 0.000 1.114 671 M CB -1.012 31.605 32.600 0.028 0.000 1.361 671 M HN 0.056 nan 8.290 nan 0.000 0.408 672 V N -0.407 119.477 119.914 -0.050 0.000 2.548 672 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 672 V C 2.177 178.234 176.094 -0.063 0.000 1.055 672 V CA 1.557 63.834 62.300 -0.039 0.000 1.065 672 V CB -0.642 31.176 31.823 -0.008 0.000 0.681 672 V HN 0.485 nan 8.190 nan 0.000 0.462 673 E N -0.401 119.744 120.200 -0.092 0.000 2.107 673 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 673 E C 2.260 178.758 176.600 -0.170 0.000 0.982 673 E CA 1.087 57.425 56.400 -0.103 0.000 0.809 673 E CB 0.001 29.663 29.700 -0.064 0.000 0.756 673 E HN 0.319 nan 8.360 nan 0.000 0.459 674 M N 0.050 119.465 119.600 -0.308 0.000 2.254 674 M HA -0.054 4.426 4.480 -0.000 0.000 0.265 674 M C 2.184 178.397 176.300 -0.144 0.000 1.066 674 M CA 1.203 56.324 55.300 -0.299 0.000 1.123 674 M CB -0.719 31.590 32.600 -0.485 0.000 1.388 674 M HN 0.083 nan 8.290 nan 0.000 0.425 675 T N 0.470 114.959 114.554 -0.109 0.000 2.812 675 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 675 T C 1.719 176.407 174.700 -0.020 0.000 1.042 675 T CA 1.156 63.229 62.100 -0.045 0.000 1.140 675 T CB -0.009 68.838 68.868 -0.035 0.000 0.870 675 T HN 0.443 nan 8.240 nan 0.000 0.445 676 E N 0.423 120.607 120.200 -0.027 0.000 2.106 676 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 676 E C 2.339 178.933 176.600 -0.009 0.000 0.984 676 E CA 1.186 57.586 56.400 0.001 0.000 0.806 676 E CB -0.149 29.553 29.700 0.005 0.000 0.750 676 E HN 0.361 nan 8.360 nan 0.000 0.458 677 T N 0.913 115.442 114.554 -0.041 0.000 2.777 677 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 677 T C 2.012 176.681 174.700 -0.052 0.000 1.040 677 T CA 1.105 63.174 62.100 -0.051 0.000 1.141 677 T CB -0.196 68.641 68.868 -0.052 0.000 0.868 677 T HN 0.244 nan 8.240 nan 0.000 0.444 678 A N 2.172 124.976 122.820 -0.026 0.000 1.917 678 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 678 A C 2.139 179.778 177.584 0.092 0.000 1.182 678 A CA 2.299 54.352 52.037 0.026 0.000 0.633 678 A CB -0.971 18.079 19.000 0.083 0.000 0.819 678 A HN 0.551 nan 8.150 nan 0.000 0.448 679 N N -0.012 118.731 118.700 0.072 0.000 2.120 679 N HA -0.119 4.621 4.740 -0.000 0.000 0.188 679 N C 1.443 176.952 175.510 -0.002 0.000 1.024 679 N CA 1.955 55.062 53.050 0.094 0.000 0.852 679 N CB -0.423 38.129 38.487 0.109 0.000 1.003 679 N HN 0.522 nan 8.380 nan 0.000 0.424 680 I N 0.109 120.573 120.570 -0.176 0.000 2.179 680 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 680 I C 1.947 177.818 176.117 -0.411 0.000 1.088 680 I CA 0.946 61.888 61.300 -0.598 0.000 1.357 680 I CB -0.239 37.457 38.000 -0.506 0.000 1.051 680 I HN 0.190 nan 8.210 nan 0.000 0.409 681 L N -0.648 120.437 121.223 -0.229 0.000 2.217 681 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 681 L C 2.491 179.248 176.870 -0.190 0.000 1.107 681 L CA 0.910 55.624 54.840 -0.210 0.000 0.783 681 L CB -0.798 41.135 42.059 -0.209 0.000 0.919 681 L HN 0.361 nan 8.230 nan 0.000 0.442 682 H N -0.267 118.754 119.070 -0.081 0.000 2.470 682 H HA 0.070 4.626 4.556 -0.000 0.000 0.289 682 H C 1.322 176.639 175.328 -0.018 0.000 1.033 682 H CA 0.874 56.900 56.048 -0.037 0.000 1.331 682 H CB 0.422 30.174 29.762 -0.018 0.000 1.414 682 H HN 0.364 nan 8.280 nan 0.000 0.545 683 N N -0.203 118.546 118.700 0.081 0.000 2.166 683 N HA 0.121 4.861 4.740 -0.000 0.000 0.213 683 N C 0.277 175.879 175.510 0.154 0.000 1.222 683 N CA 0.049 53.184 53.050 0.141 0.000 0.900 683 N CB 1.312 39.956 38.487 0.263 0.000 1.055 683 N HN 0.047 nan 8.380 nan 0.000 0.515 684 A N 1.132 123.919 122.820 -0.054 0.000 2.340 684 A HA 0.528 4.848 4.320 -0.000 0.000 0.268 684 A C 0.810 178.433 177.584 0.063 0.000 1.100 684 A CA -0.023 52.010 52.037 -0.007 0.000 0.803 684 A CB 0.363 19.196 19.000 -0.279 0.000 1.043 684 A HN 0.207 nan 8.150 nan 0.000 0.488 685 T N -1.751 112.882 114.554 0.131 0.000 2.807 685 T HA 0.453 4.803 4.350 -0.000 0.000 0.277 685 T C 0.757 175.495 174.700 0.064 0.000 1.006 685 T CA 0.162 62.329 62.100 0.112 0.000 1.006 685 T CB 1.051 70.041 68.868 0.203 0.000 1.274 685 T HN 0.744 nan 8.240 nan 0.000 0.569 686 E N -0.449 119.736 120.200 -0.024 0.000 2.478 686 E HA -0.082 4.268 4.350 -0.000 0.000 0.198 686 E C 0.231 176.671 176.600 -0.266 0.000 1.046 686 E CA 0.650 56.940 56.400 -0.184 0.000 0.870 686 E CB -0.444 29.079 29.700 -0.295 0.000 0.818 686 E HN 0.803 nan 8.360 nan 0.000 0.527 687 Y N 0.848 121.163 120.300 0.025 0.000 2.485 687 Y HA 0.313 4.863 4.550 -0.000 0.000 0.260 687 Y C 0.633 176.550 175.900 0.028 0.000 1.173 687 Y CA -0.530 57.580 58.100 0.017 0.000 1.252 687 Y CB 0.671 39.129 38.460 -0.004 0.000 1.123 687 Y HN -0.102 nan 8.280 nan 0.000 0.524 688 S N 1.318 117.127 115.700 0.182 0.000 2.601 688 S HA 0.393 4.862 4.470 -0.000 0.000 0.271 688 S C -0.755 173.939 174.600 0.158 0.000 1.305 688 S CA -0.551 57.769 58.200 0.201 0.000 1.022 688 S CB 1.221 64.609 63.200 0.313 0.000 0.940 688 S HN 0.215 nan 8.310 nan 0.000 0.525 689 L N 3.345 124.668 121.223 0.167 0.000 2.313 689 L HA 0.696 5.036 4.340 -0.000 0.000 0.283 689 L C -1.310 175.685 176.870 0.209 0.000 1.013 689 L CA -0.305 54.617 54.840 0.138 0.000 0.816 689 L CB 1.251 43.363 42.059 0.087 0.000 1.236 689 L HN 0.400 nan 8.230 nan 0.000 0.419 690 V N 6.623 126.634 119.914 0.162 0.000 2.483 690 V HA 0.472 4.592 4.120 -0.000 0.000 0.297 690 V C -0.401 175.757 176.094 0.107 0.000 1.027 690 V CA -0.504 61.892 62.300 0.161 0.000 0.855 690 V CB 1.595 33.466 31.823 0.081 0.000 0.995 690 V HN 0.624 nan 8.190 nan 0.000 0.424 691 L N 5.765 127.048 121.223 0.099 0.000 2.305 691 L HA 0.711 5.051 4.340 -0.000 0.000 0.284 691 L C -0.465 176.411 176.870 0.009 0.000 1.013 691 L CA -0.318 54.554 54.840 0.054 0.000 0.819 691 L CB 1.667 43.758 42.059 0.053 0.000 1.227 691 L HN 0.504 nan 8.230 nan 0.000 0.417 692 M N 2.905 122.465 119.600 -0.065 0.000 2.327 692 M HA 0.286 4.766 4.480 -0.000 0.000 0.298 692 M C -1.350 174.812 176.300 -0.231 0.000 1.065 692 M CA -0.513 54.677 55.300 -0.182 0.000 0.916 692 M CB 2.709 35.104 32.600 -0.341 0.000 1.630 692 M HN 0.360 nan 8.290 nan 0.000 0.442 693 D N 3.903 124.209 120.400 -0.157 0.000 2.485 693 D HA 0.196 4.835 4.640 -0.000 0.000 0.229 693 D C -0.579 175.663 176.300 -0.096 0.000 1.101 693 D CA 0.342 54.282 54.000 -0.099 0.000 0.906 693 D CB 0.386 41.161 40.800 -0.041 0.000 1.019 693 D HN 0.674 nan 8.370 nan 0.000 0.516 694 E N 1.865 121.994 120.200 -0.119 0.000 2.230 694 E HA -0.228 4.122 4.350 -0.000 0.000 0.206 694 E C 0.320 176.952 176.600 0.054 0.000 1.309 694 E CA 0.229 56.629 56.400 0.000 0.000 0.697 694 E CB -1.535 28.202 29.700 0.062 0.000 1.146 694 E HN 0.646 nan 8.360 nan 0.000 0.363 695 I N -3.062 117.509 120.570 0.003 0.000 2.779 695 I HA 0.463 4.633 4.170 -0.000 0.000 0.285 695 I C 1.543 177.870 176.117 0.351 0.000 1.134 695 I CA 0.553 61.931 61.300 0.130 0.000 1.398 695 I CB 1.114 39.152 38.000 0.063 0.000 1.404 695 I HN 0.239 nan 8.210 nan 0.000 0.587 696 G N 3.699 112.757 108.800 0.430 0.000 2.284 696 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 696 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 696 G C 0.457 175.643 174.900 0.477 0.000 1.009 696 G CA -0.284 45.162 45.100 0.578 0.000 0.625 696 G HN 0.750 nan 8.290 nan 0.000 0.501 697 R N 0.506 121.207 120.500 0.335 0.000 2.623 697 R HA 0.429 4.769 4.340 -0.000 0.000 0.271 697 R C 1.504 177.905 176.300 0.170 0.000 1.043 697 R CA 1.229 57.410 56.100 0.136 0.000 1.083 697 R CB 0.458 30.749 30.300 -0.015 0.000 0.974 697 R HN 1.425 nan 8.270 nan 0.000 0.436 698 G N 0.690 109.511 108.800 0.035 0.000 2.176 698 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.232 698 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.232 698 G C 0.213 174.910 174.900 -0.338 0.000 0.986 698 G CA 0.296 45.376 45.100 -0.033 0.000 0.643 698 G HN 0.694 nan 8.290 nan 0.000 0.522 699 T N -0.531 113.798 114.554 -0.374 0.000 2.716 699 T HA 0.695 5.045 4.350 -0.000 0.000 0.286 699 T C 0.911 175.526 174.700 -0.142 0.000 1.052 699 T CA 1.039 62.875 62.100 -0.440 0.000 1.024 699 T CB 1.102 69.471 68.868 -0.832 0.000 1.349 699 T HN 1.431 nan 8.240 nan 0.000 0.525 700 S N 0.437 116.074 115.700 -0.105 0.000 2.576 700 S HA 0.130 4.600 4.470 -0.000 0.000 0.272 700 S C 1.399 176.032 174.600 0.055 0.000 1.352 700 S CA 0.457 58.635 58.200 -0.037 0.000 1.021 700 S CB 0.189 63.358 63.200 -0.052 0.000 0.887 700 S HN 0.752 nan 8.310 nan 0.000 0.542 701 T N 1.430 116.013 114.554 0.048 0.000 2.684 701 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 701 T C 1.267 176.102 174.700 0.226 0.000 1.036 701 T CA 1.857 64.060 62.100 0.171 0.000 1.148 701 T CB -0.573 68.329 68.868 0.056 0.000 0.863 701 T HN 0.691 nan 8.240 nan 0.000 0.436 702 Y N 1.582 121.890 120.300 0.013 0.000 2.243 702 Y HA 0.042 4.592 4.550 -0.000 0.000 0.293 702 Y C 2.473 178.344 175.900 -0.048 0.000 1.124 702 Y CA -0.380 57.695 58.100 -0.042 0.000 1.159 702 Y CB -0.911 37.526 38.460 -0.040 0.000 1.008 702 Y HN 0.218 nan 8.280 nan 0.000 0.527 703 D N -0.419 120.072 120.400 0.152 0.000 2.106 703 D HA -0.165 4.475 4.640 -0.000 0.000 0.191 703 D C 2.405 178.777 176.300 0.119 0.000 0.997 703 D CA 1.757 55.818 54.000 0.101 0.000 0.834 703 D CB -0.653 40.189 40.800 0.069 0.000 0.956 703 D HN 0.407 nan 8.370 nan 0.000 0.448 704 G N 0.963 109.855 108.800 0.153 0.000 2.408 704 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 704 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 704 G C 1.615 176.556 174.900 0.070 0.000 1.150 704 G CA 0.413 45.672 45.100 0.266 0.000 0.776 704 G HN 0.213 nan 8.290 nan 0.000 0.542 705 L N 1.307 122.340 121.223 -0.317 0.000 2.083 705 L HA 0.047 4.387 4.340 -0.000 0.000 0.209 705 L C 2.719 179.461 176.870 -0.213 0.000 1.083 705 L CA 2.195 56.571 54.840 -0.774 0.000 0.752 705 L CB -0.669 41.002 42.059 -0.648 0.000 0.899 705 L HN 0.158 nan 8.230 nan 0.000 0.433 706 S N -0.571 115.081 115.700 -0.080 0.000 2.387 706 S HA -0.067 4.403 4.470 -0.000 0.000 0.226 706 S C 1.919 176.564 174.600 0.076 0.000 1.026 706 S CA 1.350 59.536 58.200 -0.024 0.000 0.972 706 S CB -0.333 62.846 63.200 -0.036 0.000 0.814 706 S HN 0.441 nan 8.310 nan 0.000 0.477 707 L N 1.238 122.528 121.223 0.112 0.000 2.005 707 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 707 L C 2.839 179.830 176.870 0.201 0.000 1.072 707 L CA 1.222 56.157 54.840 0.158 0.000 0.744 707 L CB -0.731 41.453 42.059 0.208 0.000 0.895 707 L HN 0.311 nan 8.230 nan 0.000 0.433 708 A N -0.361 122.612 122.820 0.255 0.000 1.892 708 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 708 A C 2.176 179.874 177.584 0.190 0.000 1.188 708 A CA 1.796 54.065 52.037 0.386 0.000 0.631 708 A CB -1.235 18.066 19.000 0.501 0.000 0.822 708 A HN 0.678 nan 8.150 nan 0.000 0.447 709 W N 0.597 121.859 121.300 -0.064 0.000 2.335 709 W HA -0.200 4.460 4.660 -0.000 0.000 0.311 709 W C 2.393 178.831 176.519 -0.134 0.000 1.213 709 W CA 2.449 59.706 57.345 -0.146 0.000 1.274 709 W CB -0.525 28.846 29.460 -0.147 0.000 1.148 709 W HN 0.424 nan 8.180 nan 0.000 0.498 710 A N -0.502 122.463 122.820 0.243 0.000 1.968 710 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 710 A C 2.147 179.754 177.584 0.038 0.000 1.169 710 A CA 1.618 53.744 52.037 0.148 0.000 0.638 710 A CB -1.296 17.769 19.000 0.108 0.000 0.812 710 A HN 0.327 nan 8.150 nan 0.000 0.446 711 C N -1.065 118.263 119.300 0.048 0.000 2.462 711 C HA 0.088 4.548 4.460 -0.000 0.000 0.278 711 C C 3.302 178.249 174.990 -0.072 0.000 1.253 711 C CA 0.748 59.793 59.018 0.045 0.000 1.713 711 C CB -1.289 26.577 27.740 0.210 0.000 2.049 711 C HN 0.711 nan 8.230 nan 0.000 0.477 712 A N 0.762 123.392 122.820 -0.317 0.000 1.869 712 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 712 A C 2.006 179.373 177.584 -0.363 0.000 1.203 712 A CA 2.164 53.832 52.037 -0.615 0.000 0.638 712 A CB -0.851 17.494 19.000 -1.090 0.000 0.831 712 A HN 0.719 nan 8.150 nan 0.000 0.450 713 E N -0.899 119.109 120.200 -0.321 0.000 2.065 713 E HA -0.299 4.051 4.350 -0.000 0.000 0.201 713 E C 2.065 178.592 176.600 -0.121 0.000 1.016 713 E CA 1.693 57.975 56.400 -0.196 0.000 0.818 713 E CB -0.323 29.328 29.700 -0.081 0.000 0.749 713 E HN 0.711 nan 8.360 nan 0.000 0.453 714 N N 0.416 119.062 118.700 -0.090 0.000 2.084 714 N HA -0.123 4.617 4.740 -0.000 0.000 0.190 714 N C 1.902 177.367 175.510 -0.074 0.000 1.030 714 N CA 0.796 53.806 53.050 -0.068 0.000 0.849 714 N CB -0.083 38.370 38.487 -0.056 0.000 1.012 714 N HN 0.038 nan 8.380 nan 0.000 0.423 715 L N -0.446 120.731 121.223 -0.077 0.000 2.083 715 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 715 L C 2.239 179.066 176.870 -0.071 0.000 1.083 715 L CA 1.301 56.104 54.840 -0.061 0.000 0.752 715 L CB -0.360 41.688 42.059 -0.019 0.000 0.899 715 L HN 0.266 nan 8.230 nan 0.000 0.433 716 A N -0.499 122.259 122.820 -0.103 0.000 1.911 716 A HA -0.099 4.221 4.320 -0.000 0.000 0.212 716 A C 1.956 179.490 177.584 -0.084 0.000 1.189 716 A CA 1.337 53.314 52.037 -0.100 0.000 0.639 716 A CB -0.404 18.511 19.000 -0.142 0.000 0.839 716 A HN 0.451 nan 8.150 nan 0.000 0.449 717 N N -1.435 117.216 118.700 -0.082 0.000 2.402 717 N HA -0.025 4.715 4.740 -0.000 0.000 0.174 717 N C 1.791 177.270 175.510 -0.051 0.000 1.027 717 N CA 0.680 53.692 53.050 -0.063 0.000 0.891 717 N CB 0.171 38.624 38.487 -0.056 0.000 1.016 717 N HN 0.250 nan 8.380 nan 0.000 0.439 718 K N 1.514 121.883 120.400 -0.052 0.000 2.267 718 K HA 0.183 4.503 4.320 -0.000 0.000 0.213 718 K C 1.774 178.347 176.600 -0.044 0.000 1.060 718 K CA 0.312 56.573 56.287 -0.043 0.000 0.935 718 K CB -0.069 32.406 32.500 -0.041 0.000 1.096 718 K HN 0.005 nan 8.250 nan 0.000 0.468 719 I N 1.735 122.275 120.570 -0.050 0.000 2.353 719 I HA -0.149 4.021 4.170 -0.000 0.000 0.248 719 I C 0.512 176.598 176.117 -0.051 0.000 1.119 719 I CA 0.857 62.130 61.300 -0.045 0.000 1.417 719 I CB -0.089 37.879 38.000 -0.053 0.000 1.078 719 I HN 0.246 nan 8.210 nan 0.000 0.421 720 K N 0.210 120.576 120.400 -0.056 0.000 3.160 720 K HA -0.182 4.138 4.320 -0.000 0.000 0.280 720 K C 0.391 176.957 176.600 -0.057 0.000 1.154 720 K CA 0.377 56.627 56.287 -0.063 0.000 0.822 720 K CB -2.017 30.436 32.500 -0.078 0.000 1.239 720 K HN 0.437 nan 8.250 nan 0.000 0.489 721 A N 0.860 123.660 122.820 -0.034 0.000 2.475 721 A HA 0.290 4.609 4.320 -0.000 0.000 0.239 721 A C 0.727 178.313 177.584 0.004 0.000 1.087 721 A CA -0.045 51.989 52.037 -0.004 0.000 0.779 721 A CB 0.242 19.254 19.000 0.020 0.000 1.036 721 A HN 0.316 nan 8.150 nan 0.000 0.506 722 L N 1.200 122.439 121.223 0.027 0.000 2.319 722 L HA 0.382 4.722 4.340 -0.000 0.000 0.280 722 L C -0.068 176.837 176.870 0.058 0.000 1.099 722 L CA 0.096 54.958 54.840 0.037 0.000 0.828 722 L CB 0.655 42.741 42.059 0.044 0.000 1.150 722 L HN 0.689 nan 8.230 nan 0.000 0.442 723 T N 4.360 118.952 114.554 0.063 0.000 2.921 723 T HA 0.509 4.859 4.350 -0.000 0.000 0.297 723 T C -0.375 174.394 174.700 0.114 0.000 1.013 723 T CA -0.540 61.616 62.100 0.094 0.000 0.990 723 T CB 1.762 70.696 68.868 0.110 0.000 1.023 723 T HN 0.293 nan 8.240 nan 0.000 0.447 724 L N 3.205 124.501 121.223 0.122 0.000 2.280 724 L HA 0.540 4.879 4.340 -0.000 0.000 0.287 724 L C -0.885 176.089 176.870 0.173 0.000 1.023 724 L CA -0.762 54.168 54.840 0.151 0.000 0.819 724 L CB 0.851 42.986 42.059 0.127 0.000 1.212 724 L HN 0.625 nan 8.230 nan 0.000 0.420 725 F N 3.544 123.522 119.950 0.046 0.000 2.291 725 F HA 0.554 5.081 4.527 -0.000 0.000 0.368 725 F C 0.658 176.489 175.800 0.051 0.000 1.085 725 F CA -0.633 57.389 58.000 0.035 0.000 1.165 725 F CB 0.799 39.799 39.000 0.000 0.000 1.429 725 F HN 0.518 nan 8.300 nan 0.000 0.503 726 A N 3.999 126.795 122.820 -0.039 0.000 2.401 726 A HA 0.571 4.891 4.320 -0.000 0.000 0.259 726 A C 0.075 177.661 177.584 0.004 0.000 1.103 726 A CA 0.076 52.129 52.037 0.027 0.000 0.789 726 A CB 0.627 19.632 19.000 0.008 0.000 1.035 726 A HN 0.641 nan 8.150 nan 0.000 0.491 727 T N -0.178 114.443 114.554 0.111 0.000 2.868 727 T HA 0.453 4.803 4.350 -0.000 0.000 0.306 727 T C 0.630 175.376 174.700 0.077 0.000 1.224 727 T CA -0.244 61.917 62.100 0.102 0.000 1.012 727 T CB 0.783 69.796 68.868 0.241 0.000 1.221 727 T HN 0.833 nan 8.240 nan 0.000 0.499 728 H N 1.688 120.698 119.070 -0.100 0.000 2.563 728 H HA 0.162 4.718 4.556 -0.000 0.000 0.264 728 H C -0.524 174.795 175.328 -0.016 0.000 0.957 728 H CA -0.031 55.960 56.048 -0.095 0.000 1.173 728 H CB -0.300 29.346 29.762 -0.192 0.000 1.420 728 H HN 0.443 nan 8.280 nan 0.000 0.551 729 Y N 1.203 121.351 120.300 -0.254 0.000 2.486 729 Y HA 0.048 4.598 4.550 -0.000 0.000 0.348 729 Y C 1.080 177.024 175.900 0.075 0.000 1.000 729 Y CA -0.860 57.178 58.100 -0.103 0.000 1.253 729 Y CB -0.018 38.373 38.460 -0.116 0.000 1.140 729 Y HN 0.016 nan 8.280 nan 0.000 0.526 730 F N 2.019 122.066 119.950 0.163 0.000 2.250 730 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 730 F C 1.527 177.402 175.800 0.126 0.000 1.077 730 F CA 1.538 59.608 58.000 0.116 0.000 1.348 730 F CB 0.120 39.173 39.000 0.089 0.000 1.040 730 F HN 0.486 nan 8.300 nan 0.000 0.509 731 E N 0.200 120.488 120.200 0.147 0.000 2.204 731 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 731 E C 2.207 178.853 176.600 0.077 0.000 0.989 731 E CA 0.734 57.193 56.400 0.100 0.000 0.824 731 E CB -0.360 29.444 29.700 0.174 0.000 0.756 731 E HN 0.419 nan 8.360 nan 0.000 0.477 732 L N 0.870 122.110 121.223 0.029 0.000 2.376 732 L HA -0.075 4.265 4.340 -0.000 0.000 0.219 732 L C 1.999 178.705 176.870 -0.273 0.000 1.133 732 L CA 1.452 56.209 54.840 -0.139 0.000 0.816 732 L CB -0.787 41.237 42.059 -0.057 0.000 0.933 732 L HN 0.337 nan 8.230 nan 0.000 0.449 733 T N -4.280 110.082 114.554 -0.320 0.000 3.072 733 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 733 T C 1.604 176.118 174.700 -0.310 0.000 1.127 733 T CA 0.385 62.273 62.100 -0.353 0.000 1.107 733 T CB -0.034 68.525 68.868 -0.515 0.000 0.910 733 T HN 0.224 nan 8.240 nan 0.000 0.513 734 Q N 0.473 120.114 119.800 -0.265 0.000 2.472 734 Q HA 0.291 4.631 4.340 -0.000 0.000 0.208 734 Q C 2.176 178.071 176.000 -0.175 0.000 0.958 734 Q CA 0.201 55.920 55.803 -0.140 0.000 0.932 734 Q CB -0.459 28.285 28.738 0.010 0.000 1.007 734 Q HN 0.530 nan 8.270 nan 0.000 0.508 735 L N 0.924 121.929 121.223 -0.364 0.000 2.013 735 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 735 L C -0.568 176.145 176.870 -0.262 0.000 1.073 735 L CA 1.663 56.225 54.840 -0.464 0.000 0.753 735 L CB -1.619 40.064 42.059 -0.626 0.000 0.890 735 L HN 0.148 nan 8.230 nan 0.000 0.432 736 P HA -0.191 nan 4.420 nan 0.000 0.217 736 P C 1.123 178.370 177.300 -0.088 0.000 1.148 736 P CA 1.339 64.363 63.100 -0.127 0.000 0.828 736 P CB 0.078 31.718 31.700 -0.100 0.000 0.783 737 E N -0.756 119.398 120.200 -0.078 0.000 2.112 737 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 737 E C 1.776 178.356 176.600 -0.032 0.000 0.979 737 E CA 0.820 57.194 56.400 -0.043 0.000 0.814 737 E CB -0.238 29.446 29.700 -0.026 0.000 0.762 737 E HN 0.172 nan 8.360 nan 0.000 0.460 738 K N -0.013 120.365 120.400 -0.037 0.000 2.418 738 K HA 0.121 4.441 4.320 -0.000 0.000 0.195 738 K C 0.684 177.263 176.600 -0.036 0.000 1.035 738 K CA 0.445 56.727 56.287 -0.007 0.000 1.003 738 K CB 0.301 32.839 32.500 0.063 0.000 0.793 738 K HN 0.258 nan 8.250 nan 0.000 0.494 739 M N -1.797 117.760 119.600 -0.073 0.000 2.643 739 M HA 0.335 4.815 4.480 -0.000 0.000 0.276 739 M C -1.157 175.097 176.300 -0.076 0.000 1.200 739 M CA -0.840 54.416 55.300 -0.073 0.000 0.863 739 M CB 2.108 34.655 32.600 -0.089 0.000 1.711 739 M HN -0.354 nan 8.290 nan 0.000 0.492 740 E N 0.724 120.888 120.200 -0.060 0.000 2.373 740 E HA 0.390 4.740 4.350 -0.000 0.000 0.267 740 E C 0.917 177.481 176.600 -0.060 0.000 1.032 740 E CA 1.747 58.116 56.400 -0.052 0.000 0.889 740 E CB 1.089 30.765 29.700 -0.040 0.000 0.984 740 E HN 0.984 nan 8.360 nan 0.000 0.425 741 G N 2.602 111.372 108.800 -0.051 0.000 2.143 741 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.249 741 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.249 741 G C -0.107 174.758 174.900 -0.057 0.000 0.981 741 G CA 0.333 45.404 45.100 -0.048 0.000 0.665 741 G HN 0.394 nan 8.290 nan 0.000 0.528 742 V N -0.030 119.840 119.914 -0.073 0.000 2.495 742 V HA 0.925 5.045 4.120 -0.000 0.000 0.298 742 V C 0.414 176.467 176.094 -0.069 0.000 1.031 742 V CA -0.161 62.086 62.300 -0.090 0.000 0.871 742 V CB 1.546 33.277 31.823 -0.153 0.000 0.988 742 V HN 1.345 nan 8.190 nan 0.000 0.432 743 A N 3.758 126.550 122.820 -0.047 0.000 2.532 743 A HA 0.840 5.159 4.320 -0.000 0.000 0.290 743 A C -0.945 176.630 177.584 -0.016 0.000 1.143 743 A CA -0.813 51.207 52.037 -0.028 0.000 0.728 743 A CB 1.707 20.706 19.000 -0.003 0.000 1.317 743 A HN 0.658 nan 8.150 nan 0.000 0.414 744 N N -0.103 118.595 118.700 -0.003 0.000 2.400 744 N HA 0.610 5.350 4.740 -0.000 0.000 0.288 744 N C -0.591 174.961 175.510 0.070 0.000 1.024 744 N CA -0.042 53.018 53.050 0.017 0.000 0.894 744 N CB 1.822 40.304 38.487 -0.008 0.000 1.173 744 N HN 0.906 nan 8.380 nan 0.000 0.487 745 V N -0.523 119.452 119.914 0.101 0.000 3.167 745 V HA 0.756 4.875 4.120 -0.000 0.000 0.310 745 V C -0.909 175.314 176.094 0.216 0.000 1.207 745 V CA -0.706 61.677 62.300 0.138 0.000 1.059 745 V CB 2.614 34.462 31.823 0.041 0.000 1.079 745 V HN 0.897 nan 8.190 nan 0.000 0.446 746 H N 0.125 119.185 119.070 -0.018 0.000 3.037 746 H HA 0.675 5.231 4.556 -0.000 0.000 0.336 746 H C -2.401 172.907 175.328 -0.034 0.000 1.323 746 H CA -1.025 55.023 56.048 -0.000 0.000 1.159 746 H CB 1.387 31.182 29.762 0.056 0.000 1.882 746 H HN 0.678 nan 8.280 nan 0.000 0.535 747 L N 2.186 123.388 121.223 -0.035 0.000 2.334 747 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 747 L C 0.109 177.006 176.870 0.046 0.000 1.036 747 L CA -0.163 54.615 54.840 -0.103 0.000 0.807 747 L CB 1.442 43.445 42.059 -0.093 0.000 1.231 747 L HN 0.800 nan 8.230 nan 0.000 0.438 748 D N 0.769 121.170 120.400 0.002 0.000 2.687 748 D HA 0.870 5.510 4.640 -0.000 0.000 0.264 748 D C -1.084 175.182 176.300 -0.056 0.000 1.091 748 D CA -0.811 53.244 54.000 0.092 0.000 1.123 748 D CB 1.630 42.534 40.800 0.174 0.000 1.407 748 D HN 0.624 nan 8.370 nan 0.000 0.591 749 A N -0.862 121.857 122.820 -0.167 0.000 2.527 749 A HA 0.668 4.987 4.320 -0.000 0.000 0.293 749 A C -1.894 175.585 177.584 -0.176 0.000 1.117 749 A CA -0.791 51.029 52.037 -0.362 0.000 0.723 749 A CB 1.474 19.875 19.000 -0.999 0.000 1.313 749 A HN 0.531 nan 8.150 nan 0.000 0.411 750 L N 0.505 121.623 121.223 -0.175 0.000 2.356 750 L HA 0.593 4.933 4.340 -0.000 0.000 0.277 750 L C -0.517 176.324 176.870 -0.048 0.000 0.996 750 L CA -0.086 54.737 54.840 -0.030 0.000 0.822 750 L CB 1.453 43.530 42.059 0.030 0.000 1.256 750 L HN 0.766 nan 8.230 nan 0.000 0.413 751 E N 3.696 123.889 120.200 -0.012 0.000 2.227 751 E HA 0.529 4.879 4.350 -0.000 0.000 0.282 751 E C -1.314 175.294 176.600 0.015 0.000 1.015 751 E CA -0.239 56.120 56.400 -0.068 0.000 0.823 751 E CB 0.847 30.533 29.700 -0.023 0.000 1.081 751 E HN 0.771 nan 8.360 nan 0.000 0.396 752 H N 0.623 119.663 119.070 -0.049 0.000 3.042 752 H HA 0.551 5.107 4.556 -0.000 0.000 0.346 752 H C 0.735 176.045 175.328 -0.030 0.000 1.294 752 H CA -0.510 55.518 56.048 -0.034 0.000 1.141 752 H CB 0.604 30.344 29.762 -0.036 0.000 1.872 752 H HN 0.544 nan 8.280 nan 0.000 0.541 753 G N 0.971 109.839 108.800 0.113 0.000 2.699 753 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.347 753 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.347 753 G C 0.256 175.138 174.900 -0.032 0.000 1.225 753 G CA 1.195 46.328 45.100 0.055 0.000 0.973 753 G HN 0.863 nan 8.290 nan 0.000 0.551 754 D N 1.206 121.565 120.400 -0.069 0.000 2.599 754 D HA 0.312 4.952 4.640 -0.000 0.000 0.249 754 D C 0.772 176.994 176.300 -0.129 0.000 1.313 754 D CA 0.921 54.874 54.000 -0.078 0.000 0.815 754 D CB 0.751 41.528 40.800 -0.037 0.000 1.077 754 D HN 0.622 nan 8.370 nan 0.000 0.492 755 T N -0.910 113.489 114.554 -0.257 0.000 2.626 755 T HA 0.643 4.993 4.350 -0.000 0.000 0.279 755 T C -0.427 174.022 174.700 -0.418 0.000 0.983 755 T CA -0.812 61.113 62.100 -0.292 0.000 1.059 755 T CB 2.263 70.970 68.868 -0.269 0.000 1.396 755 T HN 0.032 nan 8.240 nan 0.000 0.519 756 I N -0.060 120.274 120.570 -0.393 0.000 2.569 756 I HA 0.707 4.877 4.170 -0.000 0.000 0.290 756 I C -1.356 174.470 176.117 -0.485 0.000 1.088 756 I CA -1.218 59.784 61.300 -0.497 0.000 1.047 756 I CB 1.512 39.184 38.000 -0.547 0.000 1.237 756 I HN 0.938 nan 8.210 nan 0.000 0.421 757 A N 7.033 129.635 122.820 -0.363 0.000 2.280 757 A HA 0.558 4.878 4.320 -0.000 0.000 0.320 757 A C -1.077 176.329 177.584 -0.297 0.000 1.366 757 A CA -0.315 51.630 52.037 -0.152 0.000 0.938 757 A CB -0.232 18.829 19.000 0.102 0.000 1.157 757 A HN 0.592 nan 8.150 nan 0.000 0.536 758 F N 3.978 123.874 119.950 -0.089 0.000 2.494 758 F HA 0.172 4.699 4.527 -0.000 0.000 0.351 758 F C 0.739 176.438 175.800 -0.169 0.000 1.205 758 F CA -0.331 57.550 58.000 -0.198 0.000 1.125 758 F CB 0.229 39.080 39.000 -0.249 0.000 1.268 758 F HN 0.415 nan 8.300 nan 0.000 0.593 759 M N 3.460 123.063 119.600 0.004 0.000 2.252 759 M HA -0.027 4.453 4.480 -0.000 0.000 0.329 759 M C 1.143 177.424 176.300 -0.032 0.000 1.101 759 M CA 0.597 55.919 55.300 0.038 0.000 1.117 759 M CB -0.024 32.567 32.600 -0.014 0.000 1.563 759 M HN 0.539 nan 8.290 nan 0.000 0.445 760 H N -0.505 118.506 119.070 -0.098 0.000 2.487 760 H HA 0.197 4.753 4.556 -0.000 0.000 0.290 760 H C 0.019 175.247 175.328 -0.167 0.000 1.081 760 H CA -0.132 55.834 56.048 -0.136 0.000 1.116 760 H CB 0.673 30.314 29.762 -0.203 0.000 1.560 760 H HN 0.539 nan 8.280 nan 0.000 0.548 761 S N 1.799 117.461 115.700 -0.063 0.000 2.422 761 S HA 0.237 4.707 4.470 -0.000 0.000 0.298 761 S C 0.130 174.611 174.600 -0.197 0.000 1.118 761 S CA -0.610 57.524 58.200 -0.111 0.000 1.083 761 S CB 0.543 63.693 63.200 -0.084 0.000 0.971 761 S HN 0.054 nan 8.310 nan 0.000 0.478 762 V N 6.988 126.750 119.914 -0.253 0.000 2.455 762 V HA 0.302 4.422 4.120 -0.000 0.000 0.273 762 V C 0.319 176.263 176.094 -0.250 0.000 1.045 762 V CA -0.129 61.963 62.300 -0.346 0.000 0.976 762 V CB 0.827 32.294 31.823 -0.594 0.000 0.993 762 V HN 0.806 nan 8.190 nan 0.000 0.475 763 Q N 2.354 121.965 119.800 -0.315 0.000 2.348 763 Q HA 0.433 4.773 4.340 -0.000 0.000 0.271 763 Q C -1.237 174.712 176.000 -0.085 0.000 1.067 763 Q CA -1.071 54.589 55.803 -0.238 0.000 0.839 763 Q CB 2.254 30.763 28.738 -0.383 0.000 1.354 763 Q HN 0.597 nan 8.270 nan 0.000 0.447 764 D N 0.575 120.993 120.400 0.029 0.000 2.399 764 D HA 0.425 5.065 4.640 -0.000 0.000 0.241 764 D C 0.557 176.990 176.300 0.221 0.000 1.133 764 D CA 1.188 55.249 54.000 0.101 0.000 0.890 764 D CB 0.846 41.686 40.800 0.066 0.000 1.201 764 D HN 0.754 nan 8.370 nan 0.000 0.432 765 G N -0.122 108.784 108.800 0.177 0.000 2.663 765 G HA2 0.310 4.270 3.960 -0.000 0.000 0.686 765 G HA3 0.310 4.270 3.960 -0.000 0.000 0.686 765 G C -0.297 174.632 174.900 0.048 0.000 1.288 765 G CA -0.431 44.732 45.100 0.105 0.000 0.836 765 G HN 0.667 nan 8.290 nan 0.000 0.584 766 A N 0.017 122.797 122.820 -0.068 0.000 2.366 766 A HA 0.893 5.212 4.320 -0.000 0.000 0.249 766 A C 1.160 178.514 177.584 -0.383 0.000 1.084 766 A CA 1.196 53.175 52.037 -0.097 0.000 0.794 766 A CB 0.329 19.334 19.000 0.009 0.000 1.034 766 A HN 2.603 nan 8.150 nan 0.000 0.491 767 A N 0.394 123.082 122.820 -0.220 0.000 2.351 767 A HA 0.516 4.835 4.320 -0.000 0.000 0.257 767 A C 0.960 178.527 177.584 -0.027 0.000 1.087 767 A CA 0.244 52.149 52.037 -0.220 0.000 0.798 767 A CB 0.096 19.161 19.000 0.108 0.000 1.033 767 A HN 1.659 nan 8.150 nan 0.000 0.488 768 S N 0.019 115.686 115.700 -0.055 0.000 2.730 768 S HA 0.330 4.800 4.470 -0.000 0.000 0.244 768 S C 0.023 174.555 174.600 -0.113 0.000 1.022 768 S CA -0.371 57.777 58.200 -0.086 0.000 1.014 768 S CB -0.080 63.083 63.200 -0.062 0.000 0.963 768 S HN 0.633 nan 8.310 nan 0.000 0.540 769 K N 1.748 122.099 120.400 -0.081 0.000 2.498 769 K HA 0.529 4.849 4.320 -0.000 0.000 0.254 769 K C -0.973 175.476 176.600 -0.252 0.000 0.933 769 K CA -0.392 55.754 56.287 -0.236 0.000 0.806 769 K CB 2.296 34.601 32.500 -0.325 0.000 1.301 769 K HN 0.279 nan 8.250 nan 0.000 0.432 770 S N 0.728 116.218 115.700 -0.350 0.000 2.651 770 S HA 0.459 4.929 4.470 -0.000 0.000 0.291 770 S C -0.197 174.089 174.600 -0.522 0.000 1.141 770 S CA -0.440 57.622 58.200 -0.229 0.000 1.027 770 S CB 0.532 63.680 63.200 -0.085 0.000 1.043 770 S HN 0.699 nan 8.310 nan 0.000 0.530 771 Y N -0.167 120.185 120.300 0.088 0.000 2.672 771 Y HA 0.358 4.908 4.550 -0.000 0.000 0.252 771 Y C 2.139 178.098 175.900 0.099 0.000 1.132 771 Y CA -0.440 57.729 58.100 0.115 0.000 1.228 771 Y CB -0.010 38.599 38.460 0.247 0.000 1.310 771 Y HN 0.820 nan 8.280 nan 0.000 0.549 772 G N 1.106 109.999 108.800 0.155 0.000 2.476 772 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 772 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 772 G C 1.513 176.457 174.900 0.073 0.000 1.164 772 G CA 1.191 46.348 45.100 0.095 0.000 0.768 772 G HN 0.334 nan 8.290 nan 0.000 0.560 773 L N 0.341 121.591 121.223 0.046 0.000 2.109 773 L HA 0.045 4.384 4.340 -0.000 0.000 0.207 773 L C 3.368 180.261 176.870 0.039 0.000 1.086 773 L CA 0.932 55.787 54.840 0.025 0.000 0.760 773 L CB -0.532 41.526 42.059 -0.003 0.000 0.910 773 L HN 0.333 nan 8.230 nan 0.000 0.437 774 A N -0.171 122.688 122.820 0.064 0.000 1.930 774 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 774 A C 2.313 179.946 177.584 0.081 0.000 1.175 774 A CA 1.304 53.384 52.037 0.071 0.000 0.627 774 A CB -0.575 18.491 19.000 0.111 0.000 0.815 774 A HN 0.195 nan 8.150 nan 0.000 0.443 775 V N -0.278 119.712 119.914 0.126 0.000 2.453 775 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 775 V C 3.007 179.141 176.094 0.067 0.000 1.048 775 V CA 1.607 63.978 62.300 0.118 0.000 1.049 775 V CB -1.011 30.914 31.823 0.171 0.000 0.672 775 V HN 0.596 nan 8.190 nan 0.000 0.457 776 A N 0.171 123.023 122.820 0.052 0.000 1.908 776 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 776 A C 2.425 180.022 177.584 0.022 0.000 1.181 776 A CA 2.136 54.191 52.037 0.030 0.000 0.627 776 A CB -0.708 18.305 19.000 0.022 0.000 0.818 776 A HN 0.553 nan 8.150 nan 0.000 0.445 777 A N -0.107 122.725 122.820 0.021 0.000 1.858 777 A HA -0.038 4.282 4.320 -0.000 0.000 0.216 777 A C 2.128 179.717 177.584 0.009 0.000 1.190 777 A CA 1.442 53.486 52.037 0.011 0.000 0.617 777 A CB -0.656 18.348 19.000 0.006 0.000 0.827 777 A HN 0.452 nan 8.150 nan 0.000 0.443 778 L N -0.793 120.437 121.223 0.011 0.000 2.081 778 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 778 L C 2.878 179.754 176.870 0.010 0.000 1.080 778 L CA 1.443 56.287 54.840 0.006 0.000 0.754 778 L CB -0.745 41.318 42.059 0.008 0.000 0.893 778 L HN 0.491 nan 8.230 nan 0.000 0.433 779 A N -0.760 122.070 122.820 0.017 0.000 2.206 779 A HA 0.217 4.537 4.320 -0.000 0.000 0.211 779 A C 1.733 179.323 177.584 0.010 0.000 1.158 779 A CA 0.977 53.023 52.037 0.016 0.000 0.761 779 A CB -0.304 18.707 19.000 0.020 0.000 0.801 779 A HN 0.585 nan 8.150 nan 0.000 0.473 780 G N -1.801 107.004 108.800 0.008 0.000 2.144 780 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 780 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 780 G C 0.131 175.034 174.900 0.004 0.000 0.988 780 G CA -0.063 45.040 45.100 0.005 0.000 0.659 780 G HN 0.724 nan 8.290 nan 0.000 0.522 781 V N 2.245 122.162 119.914 0.006 0.000 2.540 781 V HA 0.244 4.364 4.120 -0.000 0.000 0.297 781 V C -1.011 175.084 176.094 0.002 0.000 1.024 781 V CA -0.473 61.830 62.300 0.004 0.000 1.105 781 V CB 0.741 32.567 31.823 0.005 0.000 0.938 781 V HN 0.205 nan 8.190 nan 0.000 0.482 782 P HA 0.073 nan 4.420 nan 0.000 0.265 782 P C 0.633 177.932 177.300 -0.001 0.000 1.187 782 P CA -0.073 63.027 63.100 -0.000 0.000 0.766 782 P CB 0.559 32.259 31.700 -0.001 0.000 0.820 783 K N 1.903 122.302 120.400 -0.002 0.000 2.059 783 K HA -0.267 4.053 4.320 -0.000 0.000 0.212 783 K C 1.835 178.433 176.600 -0.004 0.000 1.050 783 K CA 1.977 58.262 56.287 -0.003 0.000 0.927 783 K CB -0.205 32.293 32.500 -0.003 0.000 0.714 783 K HN 0.495 nan 8.250 nan 0.000 0.447 784 E N 0.582 120.780 120.200 -0.003 0.000 2.110 784 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 784 E C 1.658 178.255 176.600 -0.004 0.000 0.988 784 E CA 1.098 57.496 56.400 -0.004 0.000 0.804 784 E CB -0.048 29.650 29.700 -0.004 0.000 0.745 784 E HN 0.065 nan 8.360 nan 0.000 0.458 785 V N 0.541 120.453 119.914 -0.003 0.000 2.295 785 V HA -0.249 3.870 4.120 -0.000 0.000 0.246 785 V C 2.372 178.463 176.094 -0.004 0.000 1.049 785 V CA 1.906 64.204 62.300 -0.003 0.000 1.024 785 V CB -0.474 31.347 31.823 -0.002 0.000 0.648 785 V HN 0.288 nan 8.190 nan 0.000 0.447 786 I N -0.249 120.319 120.570 -0.003 0.000 2.208 786 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 786 I C 2.565 178.677 176.117 -0.007 0.000 1.097 786 I CA 1.755 63.053 61.300 -0.004 0.000 1.363 786 I CB -0.472 37.526 38.000 -0.003 0.000 1.051 786 I HN 0.221 nan 8.210 nan 0.000 0.413 787 K N 0.651 121.046 120.400 -0.007 0.000 2.032 787 K HA -0.248 4.072 4.320 -0.000 0.000 0.209 787 K C 2.378 178.973 176.600 -0.010 0.000 1.048 787 K CA 1.691 57.972 56.287 -0.009 0.000 0.927 787 K CB -0.043 32.452 32.500 -0.008 0.000 0.712 787 K HN 0.067 nan 8.250 nan 0.000 0.441 788 R N -0.014 120.481 120.500 -0.008 0.000 2.092 788 R HA -0.023 4.317 4.340 -0.000 0.000 0.231 788 R C 2.091 178.385 176.300 -0.009 0.000 1.119 788 R CA 1.384 57.480 56.100 -0.008 0.000 0.970 788 R CB -0.309 29.987 30.300 -0.007 0.000 0.864 788 R HN 0.293 nan 8.270 nan 0.000 0.440 789 A N 0.173 122.988 122.820 -0.008 0.000 1.933 789 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 789 A C 2.079 179.656 177.584 -0.012 0.000 1.175 789 A CA 1.588 53.620 52.037 -0.008 0.000 0.628 789 A CB -0.416 18.580 19.000 -0.006 0.000 0.814 789 A HN 0.196 nan 8.150 nan 0.000 0.444 790 R N -0.068 120.424 120.500 -0.015 0.000 2.073 790 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 790 R C 2.350 178.638 176.300 -0.020 0.000 1.134 790 R CA 2.171 58.258 56.100 -0.021 0.000 0.952 790 R CB -0.658 29.629 30.300 -0.022 0.000 0.850 790 R HN 0.699 nan 8.270 nan 0.000 0.433 791 Q N -0.159 119.631 119.800 -0.015 0.000 2.061 791 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 791 Q C 1.714 177.707 176.000 -0.012 0.000 0.984 791 Q CA 2.115 57.910 55.803 -0.014 0.000 0.846 791 Q CB -0.108 28.624 28.738 -0.011 0.000 0.902 791 Q HN 0.093 nan 8.270 nan 0.000 0.421 792 K N 0.032 120.426 120.400 -0.010 0.000 2.097 792 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 792 K C 1.843 178.440 176.600 -0.006 0.000 1.050 792 K CA 0.767 57.050 56.287 -0.007 0.000 0.938 792 K CB -0.440 32.056 32.500 -0.007 0.000 0.718 792 K HN 0.257 nan 8.250 nan 0.000 0.442 793 L N 1.225 122.442 121.223 -0.010 0.000 2.012 793 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 793 L C 2.339 179.199 176.870 -0.016 0.000 1.073 793 L CA 1.896 56.728 54.840 -0.012 0.000 0.748 793 L CB -0.686 41.360 42.059 -0.022 0.000 0.891 793 L HN 0.233 nan 8.230 nan 0.000 0.431 794 R N -0.452 120.035 120.500 -0.022 0.000 2.081 794 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 794 R C 2.323 178.615 176.300 -0.014 0.000 1.131 794 R CA 1.784 57.869 56.100 -0.025 0.000 0.960 794 R CB -0.370 29.914 30.300 -0.026 0.000 0.856 794 R HN 0.668 nan 8.270 nan 0.000 0.436 795 E N 0.453 120.648 120.200 -0.007 0.000 2.077 795 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 795 E C 2.032 178.638 176.600 0.010 0.000 0.989 795 E CA 1.318 57.718 56.400 -0.000 0.000 0.800 795 E CB -0.143 29.556 29.700 -0.001 0.000 0.746 795 E HN 0.436 nan 8.360 nan 0.000 0.452 796 L N 0.501 121.731 121.223 0.012 0.000 2.027 796 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 796 L C 2.482 179.378 176.870 0.043 0.000 1.074 796 L CA 1.495 56.352 54.840 0.029 0.000 0.745 796 L CB -0.253 41.823 42.059 0.028 0.000 0.898 796 L HN 0.183 nan 8.230 nan 0.000 0.433 797 E N -0.745 119.470 120.200 0.025 0.000 2.274 797 E HA -0.107 4.242 4.350 -0.000 0.000 0.194 797 E C 2.165 178.776 176.600 0.017 0.000 0.996 797 E CA 0.763 57.175 56.400 0.021 0.000 0.840 797 E CB 0.139 29.822 29.700 -0.028 0.000 0.772 797 E HN 0.323 nan 8.360 nan 0.000 0.491 798 S N 0.665 116.371 115.700 0.010 0.000 2.453 798 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 798 S C 1.766 176.379 174.600 0.023 0.000 1.005 798 S CA 0.568 58.773 58.200 0.008 0.000 0.949 798 S CB -0.015 63.187 63.200 0.002 0.000 0.774 798 S HN 0.215 nan 8.310 nan 0.000 0.510 799 I N 0.346 120.938 120.570 0.035 0.000 3.251 799 I HA 0.060 4.230 4.170 -0.000 0.000 0.277 799 I C 1.272 177.417 176.117 0.047 0.000 1.268 799 I CA 0.192 61.516 61.300 0.039 0.000 1.449 799 I CB 0.009 38.039 38.000 0.049 0.000 1.083 799 I HN 0.088 nan 8.210 nan 0.000 0.464 800 S N 0.000 115.739 115.700 0.064 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 63.279 63.200 0.131 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517