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 2i78_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS 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 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.642 174.600 0.070 0.000 1.055 39 S CA 0.000 58.230 58.200 0.049 0.000 1.107 39 S CB 0.000 63.227 63.200 0.044 0.000 0.593 40 R N -0.152 120.385 120.500 0.062 0.000 3.576 40 R HA -0.174 4.165 4.340 -0.001 0.000 0.572 40 R C -0.162 176.187 176.300 0.083 0.000 0.241 40 R CA 1.450 57.593 56.100 0.070 0.000 1.771 40 R CB -1.790 28.553 30.300 0.071 0.000 0.906 40 R HN 1.170 nan 8.270 nan 0.000 0.606 41 K N 0.293 120.750 120.400 0.096 0.000 2.378 41 K HA 0.577 4.896 4.320 -0.001 0.000 0.244 41 K C -0.644 176.033 176.600 0.130 0.000 1.039 41 K CA -0.281 56.071 56.287 0.109 0.000 0.863 41 K CB 2.183 34.751 32.500 0.113 0.000 1.326 41 K HN 0.946 nan 8.250 nan 0.000 0.460 42 T N -2.665 111.977 114.554 0.147 0.000 2.922 42 T HA 0.292 4.642 4.350 -0.001 0.000 0.281 42 T C -0.605 174.249 174.700 0.258 0.000 1.005 42 T CA -0.625 61.580 62.100 0.176 0.000 0.982 42 T CB 0.485 69.445 68.868 0.153 0.000 1.158 42 T HN 0.471 nan 8.240 nan 0.000 0.566 43 Y N 2.549 122.946 120.300 0.160 0.000 2.539 43 Y HA 0.381 4.930 4.550 -0.001 0.000 0.352 43 Y C 0.898 176.975 175.900 0.294 0.000 1.004 43 Y CA -0.392 57.851 58.100 0.239 0.000 1.278 43 Y CB -0.271 38.299 38.460 0.183 0.000 1.136 43 Y HN 0.979 nan 8.280 nan 0.000 0.528 44 T N 2.591 117.132 114.554 -0.021 0.000 2.874 44 T HA 0.130 4.479 4.350 -0.001 0.000 0.281 44 T C 1.074 175.706 174.700 -0.113 0.000 0.994 44 T CA -0.801 61.344 62.100 0.075 0.000 1.015 44 T CB 1.271 70.145 68.868 0.010 0.000 1.028 44 T HN 0.663 nan 8.240 nan 0.000 0.523 45 L N 1.641 122.686 121.223 -0.296 0.000 1.990 45 L HA -0.081 4.258 4.340 -0.001 0.000 0.213 45 L C 2.670 179.395 176.870 -0.242 0.000 1.072 45 L CA 2.421 56.940 54.840 -0.534 0.000 0.755 45 L CB -1.685 39.969 42.059 -0.675 0.000 0.889 45 L HN 0.991 nan 8.230 nan 0.000 0.432 46 T N -0.767 113.670 114.554 -0.195 0.000 2.803 46 T HA -0.172 4.178 4.350 -0.001 0.000 0.269 46 T C 1.508 176.090 174.700 -0.197 0.000 1.052 46 T CA 1.347 63.348 62.100 -0.164 0.000 1.136 46 T CB -0.475 68.323 68.868 -0.117 0.000 0.864 46 T HN 0.412 nan 8.240 nan 0.000 0.467 47 D N 0.359 120.602 120.400 -0.262 0.000 2.092 47 D HA -0.106 4.534 4.640 -0.001 0.000 0.193 47 D C 1.795 177.937 176.300 -0.263 0.000 0.994 47 D CA 1.165 54.946 54.000 -0.365 0.000 0.828 47 D CB -0.554 39.909 40.800 -0.561 0.000 0.963 47 D HN 0.413 nan 8.370 nan 0.000 0.450 48 Y N 1.593 121.652 120.300 -0.401 0.000 2.128 48 Y HA -0.168 4.382 4.550 -0.001 0.000 0.284 48 Y C 2.202 178.081 175.900 -0.035 0.000 1.154 48 Y CA 1.366 59.422 58.100 -0.074 0.000 1.149 48 Y CB -0.599 37.895 38.460 0.057 0.000 0.976 48 Y HN -0.072 nan 8.280 nan 0.000 0.505 49 L N -0.268 120.724 121.223 -0.385 0.000 2.240 49 L HA -0.104 4.235 4.340 -0.001 0.000 0.211 49 L C 1.903 178.639 176.870 -0.223 0.000 1.106 49 L CA 1.003 55.602 54.840 -0.401 0.000 0.793 49 L CB -0.367 41.528 42.059 -0.274 0.000 0.927 49 L HN 0.023 nan 8.230 nan 0.000 0.446 50 K N -0.088 120.205 120.400 -0.178 0.000 2.374 50 K HA 0.059 4.378 4.320 -0.001 0.000 0.196 50 K C 0.221 176.752 176.600 -0.115 0.000 1.023 50 K CA -0.073 56.136 56.287 -0.130 0.000 1.103 50 K CB -0.305 32.121 32.500 -0.123 0.000 0.848 50 K HN 0.258 nan 8.250 nan 0.000 0.528 51 N N 2.086 120.722 118.700 -0.107 0.000 2.705 51 N HA -0.206 4.534 4.740 -0.001 0.000 0.255 51 N C 0.408 175.883 175.510 -0.058 0.000 1.008 51 N CA 0.657 53.687 53.050 -0.034 0.000 0.742 51 N CB -0.388 38.089 38.487 -0.017 0.000 0.906 51 N HN 0.333 nan 8.380 nan 0.000 0.541 52 T N -2.626 111.822 114.554 -0.177 0.000 2.915 52 T HA -0.114 4.236 4.350 -0.001 0.000 0.269 52 T C 0.656 175.181 174.700 -0.291 0.000 1.071 52 T CA 1.102 63.008 62.100 -0.323 0.000 1.132 52 T CB -0.174 68.355 68.868 -0.565 0.000 0.878 52 T HN 0.359 nan 8.240 nan 0.000 0.479 53 Y N 2.033 122.421 120.300 0.146 0.000 2.944 53 Y HA 0.569 5.119 4.550 -0.001 0.000 0.335 53 Y C 0.429 176.433 175.900 0.174 0.000 1.075 53 Y CA -2.045 56.161 58.100 0.178 0.000 1.240 53 Y CB 0.214 38.827 38.460 0.255 0.000 1.167 53 Y HN 0.064 nan 8.280 nan 0.000 0.555 54 R N 2.567 123.213 120.500 0.242 0.000 2.340 54 R HA 0.465 4.805 4.340 -0.001 0.000 0.300 54 R C -0.828 175.584 176.300 0.186 0.000 1.069 54 R CA -0.371 55.839 56.100 0.183 0.000 0.984 54 R CB 0.495 30.863 30.300 0.113 0.000 1.003 54 R HN 0.628 nan 8.270 nan 0.000 0.459 55 L N 4.448 125.784 121.223 0.189 0.000 2.416 55 L HA 0.215 4.554 4.340 -0.001 0.000 0.272 55 L C 0.624 177.582 176.870 0.147 0.000 1.161 55 L CA 0.122 55.073 54.840 0.183 0.000 0.845 55 L CB 0.664 42.849 42.059 0.209 0.000 1.119 55 L HN 0.520 nan 8.230 nan 0.000 0.464 56 K N 3.602 124.088 120.400 0.143 0.000 2.118 56 K HA 0.608 4.928 4.320 -0.001 0.000 0.267 56 K C -0.717 175.961 176.600 0.129 0.000 0.991 56 K CA -0.567 55.789 56.287 0.116 0.000 0.916 56 K CB 1.433 33.997 32.500 0.107 0.000 1.041 56 K HN 0.443 nan 8.250 nan 0.000 0.455 57 L N 1.825 123.067 121.223 0.031 0.000 2.303 57 L HA 0.409 4.749 4.340 -0.001 0.000 0.266 57 L C -0.985 175.717 176.870 -0.280 0.000 1.011 57 L CA -1.067 53.699 54.840 -0.123 0.000 0.818 57 L CB 1.253 43.285 42.059 -0.045 0.000 1.326 57 L HN 0.572 nan 8.230 nan 0.000 0.435 58 Y N 0.757 120.542 120.300 -0.859 0.000 2.705 58 Y HA 0.335 4.884 4.550 -0.001 0.000 0.355 58 Y C -0.445 175.217 175.900 -0.396 0.000 1.039 58 Y CA -0.459 57.307 58.100 -0.557 0.000 1.233 58 Y CB 1.277 39.274 38.460 -0.771 0.000 1.103 58 Y HN 0.414 nan 8.280 nan 0.000 0.624 59 S N 6.073 121.665 115.700 -0.180 0.000 2.430 59 S HA 0.529 4.998 4.470 -0.001 0.000 0.289 59 S C -0.682 173.848 174.600 -0.117 0.000 1.143 59 S CA -0.538 57.595 58.200 -0.112 0.000 1.067 59 S CB -0.085 63.071 63.200 -0.074 0.000 0.964 59 S HN 0.594 nan 8.310 nan 0.000 0.485 60 L N 1.658 122.777 121.223 -0.174 0.000 2.279 60 L HA 0.839 5.179 4.340 -0.001 0.000 0.262 60 L C -0.329 176.402 176.870 -0.231 0.000 1.019 60 L CA -0.802 53.872 54.840 -0.277 0.000 0.823 60 L CB 0.965 42.574 42.059 -0.751 0.000 1.358 60 L HN 0.224 nan 8.230 nan 0.000 0.432 61 R N 0.954 121.337 120.500 -0.195 0.000 2.507 61 R HA 0.276 4.616 4.340 -0.001 0.000 0.298 61 R C -1.901 174.383 176.300 -0.027 0.000 1.087 61 R CA -0.399 55.658 56.100 -0.072 0.000 0.917 61 R CB 1.093 31.400 30.300 0.012 0.000 1.173 61 R HN 0.848 nan 8.270 nan 0.000 0.472 62 W N 4.863 126.243 121.300 0.134 0.000 2.397 62 W HA 0.064 4.723 4.660 -0.001 0.000 0.327 62 W C 1.838 178.429 176.519 0.120 0.000 1.421 62 W CA -0.321 57.119 57.345 0.158 0.000 1.288 62 W CB 0.408 29.955 29.460 0.146 0.000 1.312 62 W HN 0.621 nan 8.180 nan 0.000 0.559 63 I N 0.340 121.128 120.570 0.364 0.000 3.939 63 I HA 0.214 4.384 4.170 -0.001 0.000 0.313 63 I C 0.854 177.103 176.117 0.219 0.000 1.274 63 I CA 0.035 61.458 61.300 0.206 0.000 1.301 63 I CB -0.026 38.018 38.000 0.073 0.000 1.105 63 I HN 0.230 nan 8.210 nan 0.000 0.427 64 S N -0.536 115.343 115.700 0.299 0.000 2.880 64 S HA 0.333 4.803 4.470 -0.001 0.000 0.308 64 S C 0.121 174.832 174.600 0.185 0.000 1.195 64 S CA -0.291 58.062 58.200 0.255 0.000 0.866 64 S CB 1.325 64.724 63.200 0.331 0.000 1.254 64 S HN 0.058 nan 8.310 nan 0.000 0.571 65 D N -0.493 119.907 120.400 -0.000 0.000 2.348 65 D HA 0.104 4.744 4.640 -0.001 0.000 0.216 65 D C 0.919 177.021 176.300 -0.329 0.000 0.970 65 D CA 1.292 55.079 54.000 -0.355 0.000 0.889 65 D CB -0.094 40.307 40.800 -0.665 0.000 0.912 65 D HN 0.660 nan 8.370 nan 0.000 0.524 66 H N -1.855 117.382 119.070 0.279 0.000 3.400 66 H HA 0.442 4.998 4.556 -0.001 0.000 0.251 66 H C 0.065 175.546 175.328 0.256 0.000 1.040 66 H CA -0.264 55.958 56.048 0.290 0.000 1.175 66 H CB 0.815 30.703 29.762 0.210 0.000 1.487 66 H HN -0.040 nan 8.280 nan 0.000 0.505 67 E N 0.421 120.895 120.200 0.456 0.000 2.392 67 E HA 0.428 4.778 4.350 -0.001 0.000 0.269 67 E C -1.490 175.347 176.600 0.395 0.000 0.924 67 E CA -1.294 55.289 56.400 0.306 0.000 0.784 67 E CB 2.924 32.723 29.700 0.164 0.000 1.292 67 E HN 0.202 nan 8.360 nan 0.000 0.447 68 Y N -1.190 119.146 120.300 0.060 0.000 2.597 68 Y HA 0.595 5.144 4.550 -0.001 0.000 0.340 68 Y C -1.693 174.168 175.900 -0.065 0.000 1.097 68 Y CA -1.298 56.712 58.100 -0.151 0.000 1.037 68 Y CB 0.672 38.679 38.460 -0.755 0.000 1.305 68 Y HN 0.333 nan 8.280 nan 0.000 0.463 69 L N 2.553 123.849 121.223 0.122 0.000 2.379 69 L HA 0.422 4.762 4.340 -0.001 0.000 0.269 69 L C -1.221 175.802 176.870 0.255 0.000 1.084 69 L CA -1.009 53.881 54.840 0.082 0.000 0.802 69 L CB 1.216 43.214 42.059 -0.102 0.000 1.175 69 L HN 0.793 nan 8.230 nan 0.000 0.448 70 Y N 2.279 122.607 120.300 0.048 0.000 2.517 70 Y HA 0.300 4.849 4.550 -0.001 0.000 0.346 70 Y C -0.338 175.500 175.900 -0.103 0.000 1.113 70 Y CA -1.205 56.848 58.100 -0.078 0.000 1.295 70 Y CB 0.317 38.691 38.460 -0.142 0.000 1.094 70 Y HN 0.462 nan 8.280 nan 0.000 0.608 71 K N 3.007 123.168 120.400 -0.397 0.000 2.285 71 K HA 0.181 4.500 4.320 -0.001 0.000 0.255 71 K C -0.222 175.995 176.600 -0.639 0.000 1.000 71 K CA 0.129 56.153 56.287 -0.439 0.000 0.887 71 K CB 0.684 32.980 32.500 -0.340 0.000 0.997 71 K HN 0.702 nan 8.250 nan 0.000 0.510 72 Q N -0.261 119.288 119.800 -0.418 0.000 2.860 72 Q HA 0.090 4.430 4.340 -0.001 0.000 0.401 72 Q C 0.491 176.374 176.000 -0.195 0.000 0.669 72 Q CA -0.843 54.741 55.803 -0.366 0.000 0.916 72 Q CB 0.474 29.030 28.738 -0.303 0.000 1.310 72 Q HN 0.622 nan 8.270 nan 0.000 0.394 73 E N -0.058 120.065 120.200 -0.129 0.000 2.442 73 E HA 0.045 4.395 4.350 -0.001 0.000 0.195 73 E C 0.248 176.819 176.600 -0.048 0.000 1.030 73 E CA 0.472 56.831 56.400 -0.068 0.000 0.869 73 E CB 0.436 30.109 29.700 -0.045 0.000 0.857 73 E HN 0.363 nan 8.360 nan 0.000 0.505 74 N N 0.058 118.717 118.700 -0.069 0.000 3.261 74 N HA 0.019 4.758 4.740 -0.001 0.000 0.217 74 N C -0.008 175.462 175.510 -0.068 0.000 1.152 74 N CA 0.084 53.105 53.050 -0.049 0.000 1.153 74 N CB 0.204 38.666 38.487 -0.042 0.000 1.474 74 N HN 0.047 nan 8.380 nan 0.000 0.577 75 N N 0.433 119.075 118.700 -0.097 0.000 2.577 75 N HA 0.450 5.189 4.740 -0.001 0.000 0.285 75 N C -1.246 174.181 175.510 -0.139 0.000 1.309 75 N CA -0.549 52.437 53.050 -0.106 0.000 0.798 75 N CB 1.319 39.765 38.487 -0.068 0.000 1.463 75 N HN 0.061 nan 8.380 nan 0.000 0.518 76 I N 0.570 121.075 120.570 -0.108 0.000 2.330 76 I HA 0.310 4.480 4.170 -0.001 0.000 0.289 76 I C -0.578 175.563 176.117 0.040 0.000 1.001 76 I CA -0.666 60.586 61.300 -0.079 0.000 1.193 76 I CB 0.618 38.561 38.000 -0.094 0.000 1.345 76 I HN 0.243 nan 8.210 nan 0.000 0.461 77 L N 6.672 127.934 121.223 0.064 0.000 2.331 77 L HA 0.587 4.927 4.340 -0.001 0.000 0.275 77 L C -0.273 176.658 176.870 0.102 0.000 1.022 77 L CA -0.997 53.889 54.840 0.076 0.000 0.812 77 L CB 2.186 44.295 42.059 0.082 0.000 1.257 77 L HN 0.316 nan 8.230 nan 0.000 0.435 78 V N 2.738 122.656 119.914 0.006 0.000 2.370 78 V HA 0.463 4.583 4.120 -0.001 0.000 0.283 78 V C -0.896 175.072 176.094 -0.209 0.000 1.023 78 V CA -0.161 62.121 62.300 -0.030 0.000 0.857 78 V CB 1.042 32.908 31.823 0.071 0.000 0.985 78 V HN 0.460 nan 8.190 nan 0.000 0.443 79 F N 5.779 125.466 119.950 -0.440 0.000 2.420 79 F HA 0.456 4.983 4.527 -0.001 0.000 0.342 79 F C 0.683 176.211 175.800 -0.453 0.000 1.113 79 F CA -0.380 57.287 58.000 -0.555 0.000 1.059 79 F CB 1.457 39.784 39.000 -1.122 0.000 1.128 79 F HN 0.535 nan 8.300 nan 0.000 0.475 80 N N 2.539 121.184 118.700 -0.093 0.000 2.430 80 N HA 0.150 4.889 4.740 -0.001 0.000 0.265 80 N C 0.517 175.987 175.510 -0.068 0.000 1.100 80 N CA 0.157 53.187 53.050 -0.034 0.000 0.961 80 N CB 1.666 40.175 38.487 0.036 0.000 1.075 80 N HN 0.833 nan 8.380 nan 0.000 0.478 81 A N 3.756 126.499 122.820 -0.129 0.000 1.968 81 A HA -0.141 4.179 4.320 -0.001 0.000 0.217 81 A C 1.910 179.234 177.584 -0.434 0.000 1.169 81 A CA 1.274 53.146 52.037 -0.275 0.000 0.638 81 A CB -0.299 18.381 19.000 -0.534 0.000 0.812 81 A HN 0.818 nan 8.150 nan 0.000 0.446 82 E N -0.751 119.183 120.200 -0.443 0.000 2.015 82 E HA -0.152 4.197 4.350 -0.001 0.000 0.191 82 E C 1.450 177.794 176.600 -0.426 0.000 0.991 82 E CA 1.786 57.913 56.400 -0.455 0.000 0.802 82 E CB -0.359 28.926 29.700 -0.692 0.000 0.759 82 E HN 0.685 nan 8.360 nan 0.000 0.447 83 Y N -1.536 118.776 120.300 0.020 0.000 2.509 83 Y HA 0.369 4.918 4.550 -0.001 0.000 0.270 83 Y C 1.650 177.561 175.900 0.018 0.000 1.103 83 Y CA 0.351 58.462 58.100 0.018 0.000 1.278 83 Y CB 0.482 38.950 38.460 0.014 0.000 1.087 83 Y HN 0.242 nan 8.280 nan 0.000 0.542 84 G N 0.862 109.738 108.800 0.126 0.000 2.157 84 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.248 84 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.248 84 G C -0.116 174.861 174.900 0.128 0.000 0.979 84 G CA 0.102 45.296 45.100 0.157 0.000 0.650 84 G HN 0.457 nan 8.290 nan 0.000 0.529 85 N N 0.629 119.368 118.700 0.066 0.000 2.482 85 N HA 0.518 5.258 4.740 -0.001 0.000 0.260 85 N C -0.025 175.351 175.510 -0.223 0.000 1.236 85 N CA 0.582 53.605 53.050 -0.046 0.000 0.938 85 N CB 1.385 39.866 38.487 -0.010 0.000 1.128 85 N HN 0.862 nan 8.380 nan 0.000 0.448 86 S N -0.574 114.911 115.700 -0.359 0.000 2.541 86 S HA 0.640 5.109 4.470 -0.001 0.000 0.280 86 S C -0.689 173.717 174.600 -0.323 0.000 1.112 86 S CA -0.906 56.950 58.200 -0.574 0.000 0.925 86 S CB 1.385 63.814 63.200 -1.284 0.000 1.067 86 S HN 0.578 nan 8.310 nan 0.000 0.479 87 S N 0.730 116.283 115.700 -0.245 0.000 2.747 87 S HA 0.668 5.137 4.470 -0.001 0.000 0.300 87 S C -0.399 174.131 174.600 -0.117 0.000 1.121 87 S CA -0.845 57.269 58.200 -0.143 0.000 0.995 87 S CB 1.231 64.383 63.200 -0.081 0.000 1.113 87 S HN 0.690 nan 8.310 nan 0.000 0.547 88 V N 2.339 122.207 119.914 -0.076 0.000 2.432 88 V HA 0.194 4.313 4.120 -0.001 0.000 0.271 88 V C 0.516 176.610 176.094 -0.001 0.000 1.046 88 V CA -0.112 62.163 62.300 -0.041 0.000 0.945 88 V CB 0.274 32.061 31.823 -0.061 0.000 0.992 88 V HN 0.905 nan 8.190 nan 0.000 0.471 89 F N 6.190 126.092 119.950 -0.079 0.000 2.098 89 F HA 0.092 4.618 4.527 -0.001 0.000 0.294 89 F C 0.663 176.433 175.800 -0.050 0.000 1.107 89 F CA 1.229 59.195 58.000 -0.056 0.000 1.234 89 F CB 0.460 39.436 39.000 -0.040 0.000 1.002 89 F HN 0.376 nan 8.300 nan 0.000 0.472 90 L N -0.624 120.607 121.223 0.013 0.000 2.506 90 L HA 0.465 4.805 4.340 -0.001 0.000 0.257 90 L C -1.006 175.818 176.870 -0.077 0.000 0.964 90 L CA -1.154 53.633 54.840 -0.088 0.000 0.836 90 L CB 0.752 42.760 42.059 -0.086 0.000 1.384 90 L HN -0.157 nan 8.230 nan 0.000 0.410 91 E N 1.570 121.695 120.200 -0.125 0.000 2.392 91 E HA 0.145 4.494 4.350 -0.001 0.000 0.264 91 E C 1.438 177.974 176.600 -0.107 0.000 1.024 91 E CA 0.700 57.033 56.400 -0.112 0.000 0.903 91 E CB 0.812 30.438 29.700 -0.124 0.000 0.963 91 E HN 0.770 nan 8.360 nan 0.000 0.432 92 N N 1.503 120.161 118.700 -0.069 0.000 2.272 92 N HA -0.237 4.502 4.740 -0.001 0.000 0.185 92 N C 1.177 176.666 175.510 -0.035 0.000 1.014 92 N CA 1.341 54.370 53.050 -0.035 0.000 0.870 92 N CB -0.099 38.371 38.487 -0.028 0.000 0.975 92 N HN 0.381 nan 8.380 nan 0.000 0.433 93 S N 0.015 115.670 115.700 -0.076 0.000 2.496 93 S HA -0.009 4.461 4.470 -0.001 0.000 0.224 93 S C 1.753 176.265 174.600 -0.147 0.000 0.996 93 S CA 0.699 58.852 58.200 -0.078 0.000 0.927 93 S CB -0.500 62.657 63.200 -0.072 0.000 0.774 93 S HN 0.274 nan 8.310 nan 0.000 0.524 94 T N 1.742 116.123 114.554 -0.287 0.000 2.714 94 T HA -0.104 4.245 4.350 -0.001 0.000 0.268 94 T C 0.284 174.574 174.700 -0.683 0.000 1.036 94 T CA 1.433 63.178 62.100 -0.591 0.000 1.148 94 T CB -0.558 67.711 68.868 -0.997 0.000 0.856 94 T HN 0.575 nan 8.240 nan 0.000 0.462 95 F N 1.084 120.971 119.950 -0.105 0.000 2.963 95 F HA 0.373 4.900 4.527 -0.001 0.000 0.321 95 F C 1.053 176.857 175.800 0.007 0.000 1.234 95 F CA -1.392 56.563 58.000 -0.075 0.000 1.296 95 F CB -0.014 38.853 39.000 -0.221 0.000 0.981 95 F HN -0.063 nan 8.300 nan 0.000 0.507 96 D N 1.024 121.480 120.400 0.093 0.000 2.084 96 D HA -0.169 4.471 4.640 -0.001 0.000 0.194 96 D C 1.635 177.988 176.300 0.089 0.000 0.990 96 D CA 1.459 55.502 54.000 0.071 0.000 0.826 96 D CB -0.010 40.801 40.800 0.018 0.000 0.971 96 D HN 0.563 nan 8.370 nan 0.000 0.453 97 E N -0.196 120.058 120.200 0.090 0.000 2.335 97 E HA 0.010 4.359 4.350 -0.001 0.000 0.191 97 E C 1.171 177.838 176.600 0.112 0.000 1.077 97 E CA -0.300 56.139 56.400 0.066 0.000 1.010 97 E CB -0.406 29.314 29.700 0.035 0.000 1.141 97 E HN 0.085 nan 8.360 nan 0.000 0.452 98 F N 1.978 121.937 119.950 0.015 0.000 2.186 98 F HA 0.089 4.616 4.527 -0.001 0.000 0.299 98 F C 1.842 177.548 175.800 -0.156 0.000 1.090 98 F CA 2.001 59.994 58.000 -0.012 0.000 1.307 98 F CB -0.104 38.893 39.000 -0.005 0.000 1.019 98 F HN 0.325 nan 8.300 nan 0.000 0.489 99 G N -0.624 108.038 108.800 -0.229 0.000 2.157 99 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.248 99 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.248 99 G C -0.039 174.397 174.900 -0.773 0.000 0.979 99 G CA 0.260 45.074 45.100 -0.477 0.000 0.650 99 G HN 0.574 nan 8.290 nan 0.000 0.529 100 H N -0.543 118.384 119.070 -0.238 0.000 2.894 100 H HA 0.540 5.095 4.556 -0.001 0.000 0.367 100 H C -0.470 174.864 175.328 0.009 0.000 1.144 100 H CA -0.133 55.809 56.048 -0.176 0.000 1.180 100 H CB 1.652 31.099 29.762 -0.526 0.000 1.758 100 H HN 0.145 nan 8.280 nan 0.000 0.541 101 S N 2.524 118.311 115.700 0.144 0.000 2.481 101 S HA 0.171 4.640 4.470 -0.001 0.000 0.282 101 S C 0.353 175.005 174.600 0.087 0.000 1.243 101 S CA -0.592 57.665 58.200 0.095 0.000 1.078 101 S CB -0.783 62.461 63.200 0.074 0.000 0.916 101 S HN 0.341 nan 8.310 nan 0.000 0.495 102 I N 6.128 126.695 120.570 -0.005 0.000 2.416 102 I HA 0.148 4.317 4.170 -0.001 0.000 0.288 102 I C 1.701 177.721 176.117 -0.162 0.000 1.051 102 I CA -0.209 61.006 61.300 -0.141 0.000 1.375 102 I CB 0.735 38.491 38.000 -0.407 0.000 1.407 102 I HN 0.739 nan 8.210 nan 0.000 0.516 103 N N 3.812 122.421 118.700 -0.152 0.000 2.305 103 N HA -0.024 4.716 4.740 -0.001 0.000 0.179 103 N C 0.066 175.461 175.510 -0.190 0.000 1.019 103 N CA 0.797 53.744 53.050 -0.171 0.000 0.869 103 N CB 0.600 38.981 38.487 -0.177 0.000 1.000 103 N HN 0.638 nan 8.380 nan 0.000 0.431 104 D N -1.821 118.444 120.400 -0.226 0.000 2.622 104 D HA 0.258 4.897 4.640 -0.001 0.000 0.255 104 D C -1.656 174.508 176.300 -0.227 0.000 1.246 104 D CA -0.367 53.562 54.000 -0.119 0.000 0.795 104 D CB 1.183 41.985 40.800 0.004 0.000 1.369 104 D HN -0.101 nan 8.370 nan 0.000 0.425 105 Y N -0.138 120.180 120.300 0.029 0.000 2.587 105 Y HA 0.590 5.140 4.550 -0.001 0.000 0.337 105 Y C 0.238 176.216 175.900 0.130 0.000 1.065 105 Y CA -0.778 57.358 58.100 0.060 0.000 1.126 105 Y CB 2.174 40.663 38.460 0.049 0.000 1.279 105 Y HN 0.128 nan 8.280 nan 0.000 0.489 106 S N 1.876 117.799 115.700 0.372 0.000 2.653 106 S HA 0.528 4.998 4.470 -0.001 0.000 0.268 106 S C -1.488 173.423 174.600 0.519 0.000 1.153 106 S CA -0.509 57.935 58.200 0.406 0.000 1.036 106 S CB -0.088 63.339 63.200 0.379 0.000 1.103 106 S HN 0.566 nan 8.310 nan 0.000 0.466 107 I N 4.594 125.343 120.570 0.299 0.000 2.342 107 I HA 0.276 4.445 4.170 -0.001 0.000 0.291 107 I C 0.989 176.990 176.117 -0.193 0.000 1.010 107 I CA -0.500 60.882 61.300 0.137 0.000 1.308 107 I CB 1.656 39.679 38.000 0.039 0.000 1.400 107 I HN 0.771 nan 8.210 nan 0.000 0.488 108 S N 6.103 121.387 115.700 -0.692 0.000 2.558 108 S HA 0.090 4.559 4.470 -0.001 0.000 0.288 108 S C -1.801 172.500 174.600 -0.499 0.000 1.318 108 S CA -0.913 56.472 58.200 -1.358 0.000 1.056 108 S CB 0.499 62.751 63.200 -1.580 0.000 0.853 108 S HN 0.436 nan 8.310 nan 0.000 0.505 109 P HA -0.115 nan 4.420 nan 0.000 0.217 109 P C 0.998 178.251 177.300 -0.078 0.000 1.148 109 P CA 1.153 64.177 63.100 -0.127 0.000 0.828 109 P CB -0.055 31.598 31.700 -0.079 0.000 0.783 110 D N -0.928 119.417 120.400 -0.092 0.000 2.191 110 D HA -0.171 4.469 4.640 -0.001 0.000 0.195 110 D C 1.755 178.065 176.300 0.016 0.000 1.003 110 D CA 2.121 56.119 54.000 -0.005 0.000 0.867 110 D CB -0.907 39.942 40.800 0.081 0.000 0.926 110 D HN 0.215 nan 8.370 nan 0.000 0.450 111 G N -0.302 108.500 108.800 0.003 0.000 2.168 111 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.263 111 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.263 111 G C 0.956 175.906 174.900 0.084 0.000 0.977 111 G CA 0.817 45.996 45.100 0.131 0.000 0.659 111 G HN 0.454 nan 8.290 nan 0.000 0.533 112 Q N -1.598 118.165 119.800 -0.062 0.000 2.391 112 Q HA 0.400 4.739 4.340 -0.001 0.000 0.211 112 Q C 0.161 175.782 176.000 -0.633 0.000 0.908 112 Q CA 0.527 56.125 55.803 -0.341 0.000 0.920 112 Q CB 0.483 28.973 28.738 -0.413 0.000 1.056 112 Q HN 0.556 nan 8.270 nan 0.000 0.523 113 F N -0.083 119.824 119.950 -0.073 0.000 2.588 113 F HA 0.505 5.032 4.527 -0.001 0.000 0.314 113 F C -0.450 175.466 175.800 0.193 0.000 1.069 113 F CA -1.106 56.925 58.000 0.052 0.000 0.931 113 F CB 1.648 40.691 39.000 0.073 0.000 1.260 113 F HN -0.235 nan 8.300 nan 0.000 0.465 114 I N 3.361 124.264 120.570 0.556 0.000 2.406 114 I HA 0.351 4.521 4.170 -0.001 0.000 0.290 114 I C -1.254 175.172 176.117 0.515 0.000 0.999 114 I CA -0.983 60.633 61.300 0.526 0.000 1.124 114 I CB 1.973 40.262 38.000 0.481 0.000 1.289 114 I HN 0.306 nan 8.210 nan 0.000 0.441 115 L N 7.624 129.155 121.223 0.514 0.000 2.276 115 L HA 0.475 4.814 4.340 -0.001 0.000 0.286 115 L C -0.821 176.146 176.870 0.162 0.000 1.061 115 L CA 0.021 55.047 54.840 0.309 0.000 0.807 115 L CB 0.786 42.958 42.059 0.189 0.000 1.177 115 L HN 0.443 nan 8.230 nan 0.000 0.429 116 L N 5.196 126.455 121.223 0.059 0.000 2.298 116 L HA 0.498 4.838 4.340 -0.001 0.000 0.284 116 L C -0.125 176.736 176.870 -0.015 0.000 1.013 116 L CA -0.427 54.324 54.840 -0.149 0.000 0.824 116 L CB 1.529 43.301 42.059 -0.477 0.000 1.221 116 L HN 0.619 nan 8.230 nan 0.000 0.418 117 E N 3.911 124.038 120.200 -0.122 0.000 2.156 117 E HA 0.461 4.810 4.350 -0.001 0.000 0.279 117 E C -1.566 174.958 176.600 -0.127 0.000 0.965 117 E CA -0.465 55.754 56.400 -0.300 0.000 0.789 117 E CB 1.074 30.682 29.700 -0.153 0.000 1.098 117 E HN 0.445 nan 8.360 nan 0.000 0.397 118 Y N 1.445 121.540 120.300 -0.341 0.000 2.744 118 Y HA 0.416 4.965 4.550 -0.001 0.000 0.330 118 Y C -0.216 175.587 175.900 -0.162 0.000 1.263 118 Y CA -1.569 56.425 58.100 -0.177 0.000 1.065 118 Y CB 0.412 38.825 38.460 -0.079 0.000 1.306 118 Y HN 0.474 nan 8.280 nan 0.000 0.459 119 N N -0.357 118.351 118.700 0.012 0.000 2.735 119 N HA -0.299 4.441 4.740 -0.001 0.000 0.248 119 N C -1.036 174.443 175.510 -0.051 0.000 1.083 119 N CA 1.037 54.051 53.050 -0.059 0.000 0.703 119 N CB -1.555 36.803 38.487 -0.214 0.000 1.005 119 N HN 0.858 nan 8.380 nan 0.000 0.550 120 Y N 0.092 120.326 120.300 -0.109 0.000 2.544 120 Y HA 0.317 4.867 4.550 -0.001 0.000 0.330 120 Y C -0.036 175.836 175.900 -0.046 0.000 1.136 120 Y CA -0.097 57.945 58.100 -0.096 0.000 1.417 120 Y CB 0.706 39.057 38.460 -0.182 0.000 1.229 120 Y HN -0.020 nan 8.280 nan 0.000 0.532 121 V N 8.042 127.624 119.914 -0.554 0.000 2.482 121 V HA 0.214 4.333 4.120 -0.001 0.000 0.295 121 V C -0.353 175.371 176.094 -0.616 0.000 1.026 121 V CA -1.394 60.637 62.300 -0.448 0.000 0.856 121 V CB 1.428 33.126 31.823 -0.207 0.000 1.001 121 V HN 0.754 nan 8.190 nan 0.000 0.424 122 K N 3.790 123.851 120.400 -0.566 0.000 2.326 122 K HA 0.277 4.597 4.320 -0.001 0.000 0.275 122 K C 0.303 176.738 176.600 -0.275 0.000 1.018 122 K CA 0.146 56.216 56.287 -0.362 0.000 0.962 122 K CB 1.229 33.684 32.500 -0.075 0.000 0.953 122 K HN 0.806 nan 8.250 nan 0.000 0.475 123 Q N 2.776 122.396 119.800 -0.300 0.000 2.729 123 Q HA 0.198 4.538 4.340 -0.001 0.000 0.228 123 Q C -0.082 175.688 176.000 -0.383 0.000 1.021 123 Q CA -0.366 55.077 55.803 -0.600 0.000 0.561 123 Q CB 0.117 28.337 28.738 -0.865 0.000 3.921 123 Q HN 0.705 nan 8.270 nan 0.000 0.430 124 W N 0.294 121.578 121.300 -0.027 0.000 1.833 124 W HA 0.289 4.948 4.660 -0.001 0.000 0.593 124 W C 1.769 178.268 176.519 -0.034 0.000 1.936 124 W CA -0.509 56.847 57.345 0.018 0.000 2.192 124 W CB -0.126 29.310 29.460 -0.041 0.000 2.633 124 W HN 0.348 nan 8.180 nan 0.000 0.783 125 R N -0.590 119.990 120.500 0.133 0.000 2.115 125 R HA -0.140 4.199 4.340 -0.001 0.000 0.230 125 R C 1.609 177.765 176.300 -0.240 0.000 1.111 125 R CA 1.888 57.910 56.100 -0.131 0.000 0.976 125 R CB -0.446 29.664 30.300 -0.317 0.000 0.870 125 R HN 0.498 nan 8.270 nan 0.000 0.445 126 H N -0.615 118.528 119.070 0.122 0.000 2.695 126 H HA 0.191 4.746 4.556 -0.001 0.000 0.267 126 H C 0.581 176.009 175.328 0.167 0.000 0.973 126 H CA 0.574 56.715 56.048 0.154 0.000 1.223 126 H CB 0.192 30.019 29.762 0.108 0.000 1.442 126 H HN 0.221 nan 8.280 nan 0.000 0.478 127 S N 1.252 116.962 115.700 0.016 0.000 2.585 127 S HA 0.369 4.838 4.470 -0.001 0.000 0.273 127 S C -0.259 174.253 174.600 -0.146 0.000 1.339 127 S CA -0.474 57.447 58.200 -0.466 0.000 1.028 127 S CB 0.670 62.971 63.200 -1.499 0.000 0.906 127 S HN 0.455 nan 8.310 nan 0.000 0.528 128 Y N -2.302 117.872 120.300 -0.211 0.000 2.741 128 Y HA 0.693 5.242 4.550 -0.001 0.000 0.339 128 Y C -0.673 175.203 175.900 -0.041 0.000 1.226 128 Y CA -0.899 57.069 58.100 -0.220 0.000 1.072 128 Y CB 0.626 38.909 38.460 -0.294 0.000 1.331 128 Y HN 0.887 nan 8.280 nan 0.000 0.453 129 T N -0.197 114.389 114.554 0.053 0.000 2.930 129 T HA 1.004 5.354 4.350 -0.001 0.000 0.290 129 T C -0.579 174.198 174.700 0.128 0.000 1.052 129 T CA -0.151 62.002 62.100 0.089 0.000 1.017 129 T CB 1.747 70.633 68.868 0.029 0.000 1.137 129 T HN 1.876 nan 8.240 nan 0.000 0.511 130 A N 0.846 123.714 122.820 0.080 0.000 2.586 130 A HA 0.763 5.082 4.320 -0.001 0.000 0.290 130 A C -0.534 176.822 177.584 -0.381 0.000 1.086 130 A CA -0.964 50.977 52.037 -0.159 0.000 0.665 130 A CB 1.086 19.976 19.000 -0.183 0.000 1.279 130 A HN 0.883 nan 8.150 nan 0.000 0.423 131 S N -0.696 114.540 115.700 -0.773 0.000 2.651 131 S HA 0.791 5.260 4.470 -0.001 0.000 0.291 131 S C -1.487 172.387 174.600 -1.210 0.000 1.141 131 S CA -0.047 57.595 58.200 -0.930 0.000 1.027 131 S CB 0.632 63.048 63.200 -1.307 0.000 1.043 131 S HN 0.450 nan 8.310 nan 0.000 0.530 132 Y N 0.210 120.238 120.300 -0.454 0.000 2.421 132 Y HA 0.437 4.987 4.550 -0.001 0.000 0.339 132 Y C -0.288 175.609 175.900 -0.006 0.000 0.996 132 Y CA -0.862 57.118 58.100 -0.200 0.000 1.046 132 Y CB 1.749 40.054 38.460 -0.258 0.000 1.226 132 Y HN 0.522 nan 8.280 nan 0.000 0.445 133 D N 2.973 123.553 120.400 0.300 0.000 2.527 133 D HA 0.569 5.209 4.640 -0.001 0.000 0.233 133 D C -0.935 175.479 176.300 0.190 0.000 1.063 133 D CA -0.409 53.746 54.000 0.258 0.000 0.880 133 D CB 2.887 43.937 40.800 0.416 0.000 1.457 133 D HN 0.408 nan 8.370 nan 0.000 0.475 134 I N 1.753 122.439 120.570 0.193 0.000 2.382 134 I HA 0.203 4.373 4.170 -0.001 0.000 0.286 134 I C -0.891 175.436 176.117 0.351 0.000 1.002 134 I CA -0.932 60.522 61.300 0.257 0.000 1.135 134 I CB 1.299 39.408 38.000 0.181 0.000 1.288 134 I HN 0.217 nan 8.210 nan 0.000 0.448 135 Y N 6.032 126.498 120.300 0.277 0.000 2.341 135 Y HA 0.260 4.810 4.550 -0.001 0.000 0.340 135 Y C 0.015 176.099 175.900 0.307 0.000 0.997 135 Y CA -0.487 57.792 58.100 0.297 0.000 1.149 135 Y CB 0.878 39.558 38.460 0.367 0.000 1.171 135 Y HN 0.500 nan 8.280 nan 0.000 0.494 136 D N 6.673 126.932 120.400 -0.235 0.000 2.365 136 D HA 0.078 4.718 4.640 -0.001 0.000 0.237 136 D C 0.433 176.399 176.300 -0.557 0.000 1.190 136 D CA 0.109 53.927 54.000 -0.304 0.000 0.867 136 D CB 0.890 41.604 40.800 -0.143 0.000 1.050 136 D HN 0.868 nan 8.370 nan 0.000 0.491 137 L N 3.538 124.508 121.223 -0.421 0.000 2.551 137 L HA -0.055 4.285 4.340 -0.001 0.000 0.228 137 L C 1.859 178.562 176.870 -0.279 0.000 1.153 137 L CA 0.184 54.876 54.840 -0.246 0.000 0.851 137 L CB -0.206 41.773 42.059 -0.132 0.000 0.959 137 L HN 0.311 nan 8.230 nan 0.000 0.451 138 N N 1.157 119.647 118.700 -0.350 0.000 2.197 138 N HA -0.111 4.629 4.740 -0.001 0.000 0.184 138 N C 1.526 176.917 175.510 -0.199 0.000 1.030 138 N CA 1.159 54.058 53.050 -0.251 0.000 0.851 138 N CB -0.064 38.273 38.487 -0.250 0.000 1.003 138 N HN 0.447 nan 8.380 nan 0.000 0.430 139 K N 0.842 121.111 120.400 -0.218 0.000 2.387 139 K HA 0.241 4.561 4.320 -0.001 0.000 0.198 139 K C -0.205 176.278 176.600 -0.195 0.000 1.022 139 K CA -0.225 55.963 56.287 -0.165 0.000 1.128 139 K CB 0.477 32.904 32.500 -0.121 0.000 0.853 139 K HN -0.214 nan 8.250 nan 0.000 0.523 140 R N 0.490 120.815 120.500 -0.291 0.000 3.701 140 R HA -0.205 4.135 4.340 -0.001 0.000 0.276 140 R C -0.908 175.214 176.300 -0.297 0.000 1.150 140 R CA 1.011 56.934 56.100 -0.296 0.000 0.763 140 R CB -2.623 27.660 30.300 -0.028 0.000 1.147 140 R HN 0.585 nan 8.270 nan 0.000 0.489 141 Q N -0.462 119.098 119.800 -0.400 0.000 2.345 141 Q HA 0.603 4.942 4.340 -0.001 0.000 0.268 141 Q C -0.031 175.878 176.000 -0.152 0.000 1.054 141 Q CA -0.789 54.928 55.803 -0.143 0.000 0.835 141 Q CB 1.726 30.434 28.738 -0.050 0.000 1.339 141 Q HN 0.175 nan 8.270 nan 0.000 0.447 142 L N 2.349 123.683 121.223 0.185 0.000 2.453 142 L HA 0.208 4.548 4.340 -0.001 0.000 0.272 142 L C -0.303 176.658 176.870 0.153 0.000 1.182 142 L CA 0.059 55.070 54.840 0.284 0.000 0.858 142 L CB 0.361 42.660 42.059 0.399 0.000 1.120 142 L HN 0.515 nan 8.230 nan 0.000 0.474 143 I N 2.224 122.886 120.570 0.153 0.000 2.416 143 I HA 0.022 4.191 4.170 -0.001 0.000 0.288 143 I C 1.191 177.360 176.117 0.088 0.000 1.051 143 I CA 0.233 61.595 61.300 0.103 0.000 1.375 143 I CB 1.267 39.328 38.000 0.101 0.000 1.407 143 I HN 0.753 nan 8.210 nan 0.000 0.516 144 T N 0.830 115.418 114.554 0.057 0.000 2.985 144 T HA 0.183 4.533 4.350 -0.001 0.000 0.254 144 T C 0.403 175.109 174.700 0.008 0.000 1.021 144 T CA -0.412 61.712 62.100 0.040 0.000 0.957 144 T CB -0.040 68.851 68.868 0.039 0.000 1.047 144 T HN 0.608 nan 8.240 nan 0.000 0.511 145 E N 1.763 121.964 120.200 0.001 0.000 2.242 145 E HA 0.368 4.718 4.350 -0.001 0.000 0.275 145 E C -0.548 176.026 176.600 -0.043 0.000 1.002 145 E CA -0.909 55.479 56.400 -0.021 0.000 0.841 145 E CB 0.589 30.281 29.700 -0.015 0.000 1.109 145 E HN 0.058 nan 8.360 nan 0.000 0.394 146 E N 0.901 121.061 120.200 -0.067 0.000 2.328 146 E HA -0.245 4.104 4.350 -0.001 0.000 0.233 146 E C -0.281 176.241 176.600 -0.129 0.000 1.219 146 E CA 0.867 57.208 56.400 -0.099 0.000 0.717 146 E CB -1.459 28.191 29.700 -0.084 0.000 1.210 146 E HN 0.661 nan 8.360 nan 0.000 0.381 147 R N -0.227 120.193 120.500 -0.134 0.000 2.679 147 R HA 0.435 4.775 4.340 -0.001 0.000 0.269 147 R C 0.825 176.949 176.300 -0.294 0.000 1.076 147 R CA -0.641 55.360 56.100 -0.164 0.000 1.160 147 R CB 0.520 30.763 30.300 -0.095 0.000 1.054 147 R HN -0.015 nan 8.270 nan 0.000 0.507 148 I N 3.215 123.550 120.570 -0.391 0.000 2.741 148 I HA -0.018 4.151 4.170 -0.001 0.000 0.288 148 I C -1.487 174.327 176.117 -0.506 0.000 1.192 148 I CA -1.285 59.609 61.300 -0.677 0.000 1.426 148 I CB 0.130 37.689 38.000 -0.735 0.000 1.367 148 I HN 0.461 nan 8.210 nan 0.000 0.563 149 P HA 0.056 nan 4.420 nan 0.000 0.270 149 P C -0.726 176.388 177.300 -0.309 0.000 1.223 149 P CA -0.335 62.425 63.100 -0.567 0.000 0.785 149 P CB 0.442 31.453 31.700 -1.148 0.000 0.923 150 N N 1.864 120.458 118.700 -0.177 0.000 2.340 150 N HA -0.020 4.719 4.740 -0.001 0.000 0.236 150 N C 0.830 176.421 175.510 0.136 0.000 1.296 150 N CA 0.277 53.288 53.050 -0.065 0.000 0.896 150 N CB -0.538 37.908 38.487 -0.068 0.000 1.127 150 N HN 0.435 nan 8.380 nan 0.000 0.442 151 N N -1.759 117.003 118.700 0.104 0.000 2.782 151 N HA -0.160 4.580 4.740 -0.001 0.000 0.251 151 N C -0.793 174.879 175.510 0.270 0.000 1.101 151 N CA 0.763 53.909 53.050 0.161 0.000 0.764 151 N CB -1.760 36.830 38.487 0.172 0.000 1.122 151 N HN 0.483 nan 8.380 nan 0.000 0.561 152 T N 0.830 115.568 114.554 0.307 0.000 2.916 152 T HA 0.098 4.448 4.350 -0.001 0.000 0.303 152 T C 1.701 176.555 174.700 0.257 0.000 1.025 152 T CA 0.224 62.532 62.100 0.346 0.000 1.142 152 T CB 1.112 70.113 68.868 0.221 0.000 0.947 152 T HN 0.168 nan 8.240 nan 0.000 0.544 153 Q N 1.506 121.440 119.800 0.223 0.000 2.297 153 Q HA 0.185 4.524 4.340 -0.001 0.000 0.203 153 Q C 0.078 176.210 176.000 0.221 0.000 0.931 153 Q CA 0.367 56.304 55.803 0.225 0.000 0.885 153 Q CB 0.809 29.630 28.738 0.138 0.000 0.991 153 Q HN 0.697 nan 8.270 nan 0.000 0.498 154 W N -0.067 121.165 121.300 -0.112 0.000 3.571 154 W HA 0.450 5.109 4.660 -0.001 0.000 0.294 154 W C -2.275 174.128 176.519 -0.193 0.000 1.257 154 W CA -0.623 56.611 57.345 -0.184 0.000 1.206 154 W CB 1.237 30.535 29.460 -0.269 0.000 1.325 154 W HN -0.368 nan 8.180 nan 0.000 0.546 155 V N 3.263 122.502 119.914 -1.125 0.000 2.760 155 V HA 0.665 4.784 4.120 -0.001 0.000 0.309 155 V C -0.466 175.001 176.094 -1.045 0.000 1.077 155 V CA -0.619 61.120 62.300 -0.934 0.000 0.910 155 V CB 1.772 32.937 31.823 -1.097 0.000 1.008 155 V HN 0.480 nan 8.190 nan 0.000 0.424 156 T N 3.110 117.361 114.554 -0.505 0.000 3.032 156 T HA 0.509 4.858 4.350 -0.001 0.000 0.312 156 T C -1.403 173.301 174.700 0.006 0.000 1.078 156 T CA -0.303 61.686 62.100 -0.184 0.000 1.028 156 T CB 0.749 69.742 68.868 0.209 0.000 1.091 156 T HN 0.529 nan 8.240 nan 0.000 0.457 157 W N 3.641 124.965 121.300 0.040 0.000 2.170 157 W HA 0.407 5.066 4.660 -0.001 0.000 0.336 157 W C 1.321 177.686 176.519 -0.257 0.000 1.283 157 W CA -0.645 56.669 57.345 -0.051 0.000 1.224 157 W CB 0.611 30.046 29.460 -0.041 0.000 1.132 157 W HN 0.800 nan 8.180 nan 0.000 0.571 158 S N 2.185 117.594 115.700 -0.485 0.000 2.569 158 S HA 0.024 4.493 4.470 -0.001 0.000 0.274 158 S C -1.681 172.663 174.600 -0.426 0.000 1.353 158 S CA -0.828 56.606 58.200 -1.276 0.000 1.023 158 S CB 0.594 62.967 63.200 -1.378 0.000 0.876 158 S HN 0.350 nan 8.310 nan 0.000 0.540 159 P HA 0.072 nan 4.420 nan 0.000 0.241 159 P C 1.158 178.415 177.300 -0.071 0.000 1.191 159 P CA 0.394 63.451 63.100 -0.071 0.000 0.771 159 P CB -0.220 31.490 31.700 0.017 0.000 0.929 160 V N -4.890 114.941 119.914 -0.138 0.000 2.948 160 V HA 0.481 4.601 4.120 -0.001 0.000 0.234 160 V C 1.598 177.626 176.094 -0.111 0.000 1.205 160 V CA 0.976 63.219 62.300 -0.096 0.000 1.234 160 V CB -0.896 30.881 31.823 -0.076 0.000 1.020 160 V HN 0.063 nan 8.190 nan 0.000 0.491 161 G N 1.063 109.760 108.800 -0.172 0.000 2.992 161 G HA2 0.294 4.253 3.960 -0.001 0.000 0.201 161 G HA3 0.294 4.253 3.960 -0.001 0.000 0.201 161 G C 0.773 175.585 174.900 -0.146 0.000 2.057 161 G CA 0.605 45.595 45.100 -0.183 0.000 0.800 161 G HN 0.886 nan 8.290 nan 0.000 0.700 162 H N -0.673 118.356 119.070 -0.069 0.000 3.109 162 H HA 0.352 4.908 4.556 -0.001 0.000 0.248 162 H C -0.350 175.074 175.328 0.159 0.000 1.177 162 H CA -0.467 55.570 56.048 -0.018 0.000 0.977 162 H CB -0.274 29.478 29.762 -0.017 0.000 2.165 162 H HN 0.175 nan 8.280 nan 0.000 0.693 163 K N 1.697 122.092 120.400 -0.010 0.000 2.440 163 K HA 0.328 4.647 4.320 -0.001 0.000 0.270 163 K C -0.341 176.359 176.600 0.167 0.000 0.980 163 K CA 0.073 56.370 56.287 0.017 0.000 0.953 163 K CB 1.345 33.691 32.500 -0.256 0.000 0.925 163 K HN 0.158 nan 8.250 nan 0.000 0.497 164 L N 0.900 122.249 121.223 0.211 0.000 2.401 164 L HA 0.563 4.903 4.340 -0.001 0.000 0.266 164 L C -1.032 176.037 176.870 0.331 0.000 0.991 164 L CA -0.884 54.047 54.840 0.151 0.000 0.818 164 L CB 2.158 44.171 42.059 -0.077 0.000 1.321 164 L HN 0.737 nan 8.230 nan 0.000 0.413 165 A N 2.690 125.693 122.820 0.305 0.000 2.356 165 A HA 0.772 5.092 4.320 -0.001 0.000 0.310 165 A C -1.558 176.058 177.584 0.054 0.000 1.075 165 A CA -0.374 51.743 52.037 0.134 0.000 0.746 165 A CB 1.140 20.149 19.000 0.016 0.000 1.221 165 A HN 0.636 nan 8.150 nan 0.000 0.443 166 Y N -0.250 119.998 120.300 -0.087 0.000 2.576 166 Y HA 0.789 5.338 4.550 -0.001 0.000 0.346 166 Y C -0.986 174.916 175.900 0.004 0.000 1.018 166 Y CA -1.597 56.434 58.100 -0.116 0.000 1.050 166 Y CB 1.433 39.769 38.460 -0.208 0.000 1.280 166 Y HN 0.323 nan 8.280 nan 0.000 0.474 167 V N 2.555 122.559 119.914 0.149 0.000 2.384 167 V HA 0.278 4.397 4.120 -0.001 0.000 0.287 167 V C -1.326 174.946 176.094 0.297 0.000 1.020 167 V CA -0.603 61.757 62.300 0.100 0.000 0.850 167 V CB 0.907 32.703 31.823 -0.045 0.000 0.987 167 V HN 0.881 nan 8.190 nan 0.000 0.436 168 W N 5.226 126.626 121.300 0.166 0.000 2.839 168 W HA 0.466 5.126 4.660 -0.001 0.000 0.334 168 W C 0.363 176.947 176.519 0.109 0.000 1.064 168 W CA -0.712 56.721 57.345 0.146 0.000 1.236 168 W CB 1.207 30.759 29.460 0.153 0.000 1.405 168 W HN 0.767 nan 8.180 nan 0.000 0.478 169 N N 5.694 123.940 118.700 -0.755 0.000 2.716 169 N HA -0.367 4.372 4.740 -0.001 0.000 0.250 169 N C 0.075 175.383 175.510 -0.336 0.000 1.033 169 N CA 1.131 53.758 53.050 -0.705 0.000 0.727 169 N CB -1.018 36.771 38.487 -1.164 0.000 0.950 169 N HN 0.822 nan 8.380 nan 0.000 0.541 170 N N -2.000 116.577 118.700 -0.204 0.000 2.878 170 N HA -0.160 4.580 4.740 -0.001 0.000 0.247 170 N C -1.290 174.115 175.510 -0.174 0.000 1.021 170 N CA 1.112 54.062 53.050 -0.167 0.000 0.873 170 N CB -0.376 37.969 38.487 -0.236 0.000 1.128 170 N HN 0.465 nan 8.380 nan 0.000 0.571 171 D N 0.464 120.763 120.400 -0.168 0.000 2.419 171 D HA 0.529 5.169 4.640 -0.001 0.000 0.234 171 D C 0.142 176.192 176.300 -0.415 0.000 1.014 171 D CA -0.358 53.451 54.000 -0.320 0.000 0.919 171 D CB 1.764 42.336 40.800 -0.381 0.000 1.366 171 D HN 0.001 nan 8.370 nan 0.000 0.490 172 I N 1.284 121.426 120.570 -0.713 0.000 2.392 172 I HA 0.289 4.458 4.170 -0.001 0.000 0.295 172 I C -0.829 174.676 176.117 -1.020 0.000 0.985 172 I CA -0.571 60.296 61.300 -0.722 0.000 1.221 172 I CB 0.711 38.243 38.000 -0.780 0.000 1.366 172 I HN 0.153 nan 8.210 nan 0.000 0.467 173 Y N 4.192 124.098 120.300 -0.656 0.000 2.499 173 Y HA 0.637 5.187 4.550 -0.001 0.000 0.347 173 Y C -0.368 175.209 175.900 -0.539 0.000 0.987 173 Y CA -1.001 56.681 58.100 -0.698 0.000 1.044 173 Y CB 2.110 39.901 38.460 -1.116 0.000 1.245 173 Y HN 0.111 nan 8.280 nan 0.000 0.461 174 V N 2.863 122.725 119.914 -0.087 0.000 2.531 174 V HA 0.399 4.519 4.120 -0.001 0.000 0.301 174 V C -0.754 175.486 176.094 0.244 0.000 1.034 174 V CA -1.341 61.007 62.300 0.080 0.000 0.865 174 V CB 1.805 33.673 31.823 0.077 0.000 0.995 174 V HN 0.623 nan 8.190 nan 0.000 0.424 175 K N 4.123 124.667 120.400 0.240 0.000 2.240 175 K HA 0.552 4.871 4.320 -0.001 0.000 0.271 175 K C 0.576 177.314 176.600 0.230 0.000 1.018 175 K CA -0.441 55.983 56.287 0.228 0.000 0.874 175 K CB 1.798 34.386 32.500 0.147 0.000 1.098 175 K HN 0.567 nan 8.250 nan 0.000 0.458 176 I N 1.361 122.088 120.570 0.261 0.000 2.480 176 I HA -0.072 4.097 4.170 -0.001 0.000 0.251 176 I C 0.443 176.666 176.117 0.176 0.000 1.124 176 I CA 1.005 62.420 61.300 0.192 0.000 1.444 176 I CB 0.334 38.450 38.000 0.193 0.000 1.098 176 I HN 0.523 nan 8.210 nan 0.000 0.428 177 E N 0.189 120.490 120.200 0.168 0.000 2.256 177 E HA 0.247 4.596 4.350 -0.001 0.000 0.267 177 E C -1.955 174.650 176.600 0.008 0.000 0.892 177 E CA -1.840 54.639 56.400 0.130 0.000 0.775 177 E CB 1.582 31.355 29.700 0.122 0.000 1.207 177 E HN -0.167 nan 8.360 nan 0.000 0.420 178 P HA -0.113 nan 4.420 nan 0.000 0.222 178 P C 0.851 178.090 177.300 -0.102 0.000 1.147 178 P CA 1.101 64.079 63.100 -0.203 0.000 0.790 178 P CB 0.284 31.671 31.700 -0.521 0.000 0.780 179 N N -1.327 117.337 118.700 -0.060 0.000 2.325 179 N HA 0.014 4.754 4.740 -0.001 0.000 0.182 179 N C 0.232 175.731 175.510 -0.019 0.000 1.088 179 N CA 0.171 53.210 53.050 -0.019 0.000 0.879 179 N CB -0.232 38.265 38.487 0.016 0.000 0.983 179 N HN 0.056 nan 8.380 nan 0.000 0.471 180 L N 1.883 123.099 121.223 -0.012 0.000 2.399 180 L HA 0.463 4.803 4.340 -0.001 0.000 0.266 180 L C -2.075 174.757 176.870 -0.062 0.000 1.114 180 L CA -2.065 52.761 54.840 -0.022 0.000 0.804 180 L CB 0.317 42.383 42.059 0.012 0.000 1.146 180 L HN -0.061 nan 8.230 nan 0.000 0.451 181 P HA 0.084 nan 4.420 nan 0.000 0.266 181 P C -0.776 176.390 177.300 -0.223 0.000 1.195 181 P CA -0.224 62.782 63.100 -0.156 0.000 0.768 181 P CB 0.362 31.954 31.700 -0.179 0.000 0.838 182 S N 2.354 117.971 115.700 -0.138 0.000 2.632 182 S HA 0.358 4.827 4.470 -0.001 0.000 0.267 182 S C -0.653 173.849 174.600 -0.163 0.000 1.276 182 S CA -0.373 57.787 58.200 -0.066 0.000 0.998 182 S CB 0.114 63.374 63.200 0.099 0.000 0.953 182 S HN 0.266 nan 8.310 nan 0.000 0.547 183 Y N 0.101 120.417 120.300 0.026 0.000 2.320 183 Y HA 0.423 4.972 4.550 -0.001 0.000 0.334 183 Y C 1.123 176.960 175.900 -0.104 0.000 1.055 183 Y CA -0.882 57.214 58.100 -0.007 0.000 1.143 183 Y CB 0.931 39.385 38.460 -0.010 0.000 1.193 183 Y HN 0.457 nan 8.280 nan 0.000 0.477 184 R N 3.864 124.328 120.500 -0.061 0.000 2.296 184 R HA 0.126 4.465 4.340 -0.001 0.000 0.323 184 R C 0.335 176.370 176.300 -0.443 0.000 1.067 184 R CA 0.138 55.907 56.100 -0.552 0.000 0.946 184 R CB 0.516 30.189 30.300 -1.045 0.000 0.991 184 R HN 0.774 nan 8.270 nan 0.000 0.448 185 I N 1.047 121.270 120.570 -0.579 0.000 2.703 185 I HA -0.010 4.160 4.170 -0.001 0.000 0.259 185 I C 0.927 176.783 176.117 -0.435 0.000 1.151 185 I CA 1.073 62.129 61.300 -0.407 0.000 1.470 185 I CB -0.179 37.541 38.000 -0.465 0.000 1.112 185 I HN 0.324 nan 8.210 nan 0.000 0.437 186 T N -0.888 113.249 114.554 -0.695 0.000 2.912 186 T HA 0.331 4.681 4.350 -0.001 0.000 0.299 186 T C -0.786 173.563 174.700 -0.585 0.000 1.052 186 T CA -0.306 61.485 62.100 -0.515 0.000 0.996 186 T CB 1.638 70.173 68.868 -0.556 0.000 1.070 186 T HN 0.127 nan 8.240 nan 0.000 0.465 187 W N 0.622 121.799 121.300 -0.206 0.000 2.534 187 W HA 0.186 4.845 4.660 -0.001 0.000 0.339 187 W C 1.841 178.301 176.519 -0.098 0.000 0.961 187 W CA -0.326 56.944 57.345 -0.125 0.000 1.545 187 W CB -0.012 29.401 29.460 -0.079 0.000 1.104 187 W HN 0.716 nan 8.180 nan 0.000 0.538 188 T N -2.505 112.087 114.554 0.064 0.000 3.086 188 T HA 0.298 4.647 4.350 -0.001 0.000 0.250 188 T C 1.175 175.863 174.700 -0.021 0.000 1.074 188 T CA 0.166 62.286 62.100 0.032 0.000 0.988 188 T CB -0.131 68.752 68.868 0.025 0.000 0.988 188 T HN 0.005 nan 8.240 nan 0.000 0.530 189 G N 1.388 110.146 108.800 -0.070 0.000 2.313 189 G HA2 0.383 4.343 3.960 -0.001 0.000 0.250 189 G HA3 0.383 4.343 3.960 -0.001 0.000 0.250 189 G C -0.640 174.185 174.900 -0.126 0.000 1.281 189 G CA -0.455 44.573 45.100 -0.121 0.000 0.917 189 G HN 0.544 nan 8.290 nan 0.000 0.501 190 K N 2.150 122.453 120.400 -0.162 0.000 2.535 190 K HA 0.219 4.538 4.320 -0.001 0.000 0.250 190 K C -0.014 176.444 176.600 -0.237 0.000 0.948 190 K CA -0.686 55.507 56.287 -0.157 0.000 0.796 190 K CB 1.612 34.059 32.500 -0.088 0.000 1.216 190 K HN 0.560 nan 8.250 nan 0.000 0.432 191 E N 3.129 123.203 120.200 -0.209 0.000 2.966 191 E HA -0.195 4.155 4.350 -0.001 0.000 0.254 191 E C -0.550 175.958 176.600 -0.153 0.000 0.923 191 E CA 1.179 57.464 56.400 -0.192 0.000 0.960 191 E CB 0.153 29.782 29.700 -0.119 0.000 0.901 191 E HN 0.675 nan 8.360 nan 0.000 0.525 192 D N 2.274 122.574 120.400 -0.167 0.000 3.059 192 D HA -0.246 4.393 4.640 -0.001 0.000 0.213 192 D C 0.582 176.925 176.300 0.072 0.000 1.144 192 D CA 1.304 55.342 54.000 0.062 0.000 0.975 192 D CB -0.489 40.376 40.800 0.108 0.000 1.125 192 D HN 0.392 nan 8.370 nan 0.000 0.412 193 I N -0.702 119.808 120.570 -0.101 0.000 3.623 193 I HA 0.219 4.388 4.170 -0.001 0.000 0.253 193 I C 1.050 177.198 176.117 0.052 0.000 1.144 193 I CA 0.386 61.704 61.300 0.029 0.000 1.461 193 I CB 0.046 38.050 38.000 0.007 0.000 1.575 193 I HN -0.141 nan 8.210 nan 0.000 0.445 194 I N 0.800 121.301 120.570 -0.115 0.000 2.436 194 I HA 0.256 4.426 4.170 -0.001 0.000 0.289 194 I C -1.462 174.567 176.117 -0.147 0.000 1.010 194 I CA -0.546 60.756 61.300 0.004 0.000 1.098 194 I CB 1.897 39.910 38.000 0.021 0.000 1.266 194 I HN -0.016 nan 8.210 nan 0.000 0.434 195 Y N 4.872 125.249 120.300 0.128 0.000 2.345 195 Y HA 0.405 4.955 4.550 -0.001 0.000 0.331 195 Y C -0.012 175.920 175.900 0.053 0.000 0.959 195 Y CA -0.939 57.235 58.100 0.123 0.000 1.204 195 Y CB 0.950 39.574 38.460 0.272 0.000 1.135 195 Y HN 0.424 nan 8.280 nan 0.000 0.477 196 N N 2.326 121.055 118.700 0.049 0.000 2.444 196 N HA 0.332 5.072 4.740 -0.001 0.000 0.262 196 N C 0.810 176.215 175.510 -0.176 0.000 0.974 196 N CA 0.381 53.382 53.050 -0.081 0.000 0.933 196 N CB 1.867 40.209 38.487 -0.241 0.000 1.137 196 N HN 0.999 nan 8.380 nan 0.000 0.498 197 G N 1.665 110.378 108.800 -0.145 0.000 2.184 197 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.264 197 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.264 197 G C 0.120 174.852 174.900 -0.279 0.000 0.975 197 G CA 0.824 45.776 45.100 -0.247 0.000 0.642 197 G HN 0.670 nan 8.290 nan 0.000 0.536 198 I N -2.072 118.411 120.570 -0.146 0.000 2.934 198 I HA 0.838 5.008 4.170 -0.001 0.000 0.306 198 I C 0.346 176.524 176.117 0.103 0.000 1.110 198 I CA -0.693 60.458 61.300 -0.249 0.000 1.019 198 I CB 1.999 39.660 38.000 -0.565 0.000 1.227 198 I HN 0.177 nan 8.210 nan 0.000 0.434 199 T N -0.556 113.992 114.554 -0.010 0.000 2.899 199 T HA 0.406 4.755 4.350 -0.001 0.000 0.284 199 T C -0.206 174.321 174.700 -0.288 0.000 1.004 199 T CA -0.625 61.347 62.100 -0.213 0.000 1.043 199 T CB 1.256 70.042 68.868 -0.136 0.000 1.013 199 T HN 0.787 nan 8.240 nan 0.000 0.518 200 D N 0.129 120.107 120.400 -0.703 0.000 2.478 200 D HA 0.050 4.690 4.640 -0.001 0.000 0.274 200 D C 0.954 177.160 176.300 -0.157 0.000 1.234 200 D CA -1.142 52.414 54.000 -0.740 0.000 1.069 200 D CB 0.053 40.372 40.800 -0.802 0.000 1.113 200 D HN 0.717 nan 8.370 nan 0.000 0.571 201 W N 0.018 121.234 121.300 -0.139 0.000 2.335 201 W HA -0.191 4.469 4.660 -0.001 0.000 0.311 201 W C 2.074 178.486 176.519 -0.179 0.000 1.213 201 W CA 2.124 59.378 57.345 -0.152 0.000 1.274 201 W CB -0.343 28.958 29.460 -0.266 0.000 1.148 201 W HN 0.178 nan 8.180 nan 0.000 0.498 202 V N -0.151 119.845 119.914 0.137 0.000 2.379 202 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 202 V C 1.893 177.833 176.094 -0.257 0.000 1.044 202 V CA 1.944 64.230 62.300 -0.023 0.000 1.036 202 V CB -0.763 31.055 31.823 -0.008 0.000 0.664 202 V HN 0.274 nan 8.190 nan 0.000 0.453 203 Y N 0.684 120.814 120.300 -0.283 0.000 2.293 203 Y HA -0.186 4.364 4.550 -0.001 0.000 0.291 203 Y C 2.570 178.362 175.900 -0.179 0.000 1.137 203 Y CA 2.099 60.037 58.100 -0.270 0.000 1.202 203 Y CB -0.070 38.094 38.460 -0.493 0.000 0.990 203 Y HN 0.386 nan 8.280 nan 0.000 0.537 204 E N 0.293 120.443 120.200 -0.084 0.000 2.031 204 E HA -0.296 4.054 4.350 -0.001 0.000 0.193 204 E C 1.994 178.530 176.600 -0.106 0.000 0.994 204 E CA 1.583 57.955 56.400 -0.048 0.000 0.800 204 E CB -0.005 29.652 29.700 -0.071 0.000 0.752 204 E HN 0.394 nan 8.360 nan 0.000 0.447 205 E N -0.132 119.816 120.200 -0.420 0.000 2.158 205 E HA -0.131 4.219 4.350 -0.001 0.000 0.191 205 E C 1.410 177.881 176.600 -0.215 0.000 0.982 205 E CA 1.194 57.339 56.400 -0.426 0.000 0.823 205 E CB 0.300 29.393 29.700 -1.010 0.000 0.766 205 E HN 0.193 nan 8.360 nan 0.000 0.468 206 E N -1.000 119.057 120.200 -0.238 0.000 2.485 206 E HA 0.082 4.431 4.350 -0.001 0.000 0.213 206 E C 1.453 177.915 176.600 -0.230 0.000 0.923 206 E CA 0.612 56.905 56.400 -0.178 0.000 1.054 206 E CB 1.117 30.694 29.700 -0.205 0.000 1.077 206 E HN 0.239 nan 8.360 nan 0.000 0.509 207 V N -1.225 118.518 119.914 -0.284 0.000 2.950 207 V HA 0.139 4.258 4.120 -0.001 0.000 0.231 207 V C 0.983 176.851 176.094 -0.377 0.000 1.205 207 V CA 0.367 62.424 62.300 -0.406 0.000 1.239 207 V CB -0.141 31.299 31.823 -0.638 0.000 1.050 207 V HN 0.006 nan 8.190 nan 0.000 0.498 208 F N 1.683 121.653 119.950 0.034 0.000 2.754 208 F HA 0.411 4.938 4.527 -0.001 0.000 0.297 208 F C 1.647 177.416 175.800 -0.051 0.000 1.122 208 F CA 0.719 58.752 58.000 0.056 0.000 1.400 208 F CB -0.278 38.803 39.000 0.134 0.000 1.117 208 F HN 0.200 nan 8.300 nan 0.000 0.587 209 S N 0.456 116.169 115.700 0.021 0.000 3.462 209 S HA -0.049 4.420 4.470 -0.001 0.000 0.370 209 S C 0.150 174.350 174.600 -0.667 0.000 1.028 209 S CA 0.446 58.534 58.200 -0.187 0.000 1.119 209 S CB -1.676 61.464 63.200 -0.100 0.000 0.906 209 S HN 0.619 nan 8.310 nan 0.000 0.471 210 A N -0.644 122.000 122.820 -0.293 0.000 2.610 210 A HA 0.717 5.036 4.320 -0.001 0.000 0.291 210 A C -0.225 177.335 177.584 -0.039 0.000 1.086 210 A CA -0.526 51.352 52.037 -0.264 0.000 0.677 210 A CB 0.314 19.176 19.000 -0.230 0.000 1.278 210 A HN 0.242 nan 8.150 nan 0.000 0.414 211 Y N 1.084 121.230 120.300 -0.256 0.000 2.365 211 Y HA 0.198 4.748 4.550 -0.001 0.000 0.293 211 Y C 1.551 177.171 175.900 -0.467 0.000 1.119 211 Y CA 0.972 58.925 58.100 -0.245 0.000 1.203 211 Y CB -0.019 38.337 38.460 -0.173 0.000 1.026 211 Y HN 0.615 nan 8.280 nan 0.000 0.549 212 S N 0.657 115.857 115.700 -0.832 0.000 2.533 212 S HA 0.435 4.904 4.470 -0.001 0.000 0.282 212 S C 0.263 174.340 174.600 -0.871 0.000 1.304 212 S CA 0.237 57.699 58.200 -1.230 0.000 1.063 212 S CB 0.217 62.464 63.200 -1.590 0.000 0.881 212 S HN 0.409 nan 8.310 nan 0.000 0.493 213 A N 4.831 127.145 122.820 -0.844 0.000 2.992 213 A HA 0.527 4.847 4.320 -0.001 0.000 0.263 213 A C -0.779 176.131 177.584 -1.124 0.000 0.928 213 A CA -0.635 50.848 52.037 -0.924 0.000 1.061 213 A CB -0.340 18.529 19.000 -0.218 0.000 1.173 213 A HN 0.843 nan 8.150 nan 0.000 0.482 214 L N -4.864 115.511 121.223 -1.412 0.000 2.409 214 L HA 0.912 5.251 4.340 -0.001 0.000 0.262 214 L C -1.299 175.027 176.870 -0.906 0.000 0.992 214 L CA -1.073 53.223 54.840 -0.907 0.000 0.817 214 L CB 1.187 42.986 42.059 -0.434 0.000 1.350 214 L HN 0.236 nan 8.230 nan 0.000 0.411 215 W N 1.583 122.913 121.300 0.050 0.000 2.728 215 W HA 0.300 4.959 4.660 -0.001 0.000 0.324 215 W C -1.419 175.273 176.519 0.289 0.000 1.012 215 W CA -0.797 56.698 57.345 0.250 0.000 1.279 215 W CB 1.238 30.929 29.460 0.384 0.000 1.289 215 W HN 0.628 nan 8.180 nan 0.000 0.418 216 W N 2.529 123.993 121.300 0.274 0.000 2.209 216 W HA 0.114 4.774 4.660 -0.001 0.000 0.344 216 W C 1.434 177.713 176.519 -0.401 0.000 1.285 216 W CA 0.669 58.031 57.345 0.028 0.000 1.267 216 W CB 0.561 30.029 29.460 0.015 0.000 1.167 216 W HN 0.192 nan 8.180 nan 0.000 0.574 217 S N 2.517 117.864 115.700 -0.588 0.000 2.600 217 S HA 0.164 4.633 4.470 -0.001 0.000 0.265 217 S C -1.708 172.653 174.600 -0.399 0.000 1.325 217 S CA -1.040 56.377 58.200 -1.305 0.000 1.002 217 S CB 0.968 63.453 63.200 -1.191 0.000 0.921 217 S HN 0.289 nan 8.310 nan 0.000 0.554 218 P HA -0.126 nan 4.420 nan 0.000 0.216 218 P C 0.891 178.166 177.300 -0.043 0.000 1.150 218 P CA 1.487 64.563 63.100 -0.041 0.000 0.843 218 P CB -0.220 31.502 31.700 0.037 0.000 0.787 219 N N -1.633 117.029 118.700 -0.063 0.000 2.270 219 N HA 0.115 4.854 4.740 -0.001 0.000 0.198 219 N C 1.115 176.555 175.510 -0.117 0.000 1.117 219 N CA 0.477 53.485 53.050 -0.070 0.000 0.845 219 N CB -0.747 37.714 38.487 -0.043 0.000 0.980 219 N HN 0.165 nan 8.380 nan 0.000 0.486 220 G N -0.904 107.830 108.800 -0.110 0.000 2.179 220 G HA2 -0.343 3.617 3.960 -0.001 0.000 0.260 220 G HA3 -0.343 3.617 3.960 -0.001 0.000 0.260 220 G C 0.979 175.906 174.900 0.045 0.000 0.977 220 G CA 0.769 45.811 45.100 -0.097 0.000 0.641 220 G HN 0.380 nan 8.290 nan 0.000 0.533 221 T N -0.000 114.501 114.554 -0.088 0.000 2.708 221 T HA 0.160 4.510 4.350 -0.001 0.000 0.266 221 T C 0.843 175.353 174.700 -0.316 0.000 1.037 221 T CA 1.398 63.333 62.100 -0.275 0.000 1.146 221 T CB -0.110 68.470 68.868 -0.480 0.000 0.865 221 T HN 0.303 nan 8.240 nan 0.000 0.435 222 F N 0.267 120.239 119.950 0.035 0.000 2.458 222 F HA 0.604 5.130 4.527 -0.001 0.000 0.330 222 F C -0.213 175.615 175.800 0.046 0.000 1.082 222 F CA -1.548 56.496 58.000 0.074 0.000 0.995 222 F CB 1.111 40.225 39.000 0.190 0.000 1.170 222 F HN -0.101 nan 8.300 nan 0.000 0.478 223 L N 3.046 124.370 121.223 0.168 0.000 2.316 223 L HA 0.762 5.101 4.340 -0.001 0.000 0.280 223 L C -0.441 176.499 176.870 0.118 0.000 1.006 223 L CA -0.475 54.293 54.840 -0.120 0.000 0.836 223 L CB 0.552 42.274 42.059 -0.561 0.000 1.221 223 L HN 0.673 nan 8.230 nan 0.000 0.418 224 A N 4.959 127.946 122.820 0.278 0.000 2.327 224 A HA 0.696 5.016 4.320 -0.001 0.000 0.283 224 A C -1.281 176.363 177.584 0.099 0.000 1.127 224 A CA -0.186 51.914 52.037 0.105 0.000 0.810 224 A CB 0.337 19.505 19.000 0.281 0.000 1.066 224 A HN 0.855 nan 8.150 nan 0.000 0.492 225 Y N -1.366 118.691 120.300 -0.406 0.000 2.581 225 Y HA 0.731 5.280 4.550 -0.001 0.000 0.337 225 Y C -0.335 175.309 175.900 -0.425 0.000 1.108 225 Y CA -0.905 57.027 58.100 -0.281 0.000 1.033 225 Y CB 0.854 39.144 38.460 -0.283 0.000 1.318 225 Y HN 0.893 nan 8.280 nan 0.000 0.459 226 A N 2.636 125.439 122.820 -0.029 0.000 2.306 226 A HA 0.655 4.975 4.320 -0.001 0.000 0.330 226 A C -1.049 176.360 177.584 -0.293 0.000 1.146 226 A CA -0.823 51.077 52.037 -0.228 0.000 0.827 226 A CB 1.579 20.433 19.000 -0.244 0.000 1.178 226 A HN 0.821 nan 8.150 nan 0.000 0.490 227 Q N 1.114 120.689 119.800 -0.375 0.000 2.330 227 Q HA 0.598 4.937 4.340 -0.001 0.000 0.269 227 Q C -1.997 173.728 176.000 -0.458 0.000 1.022 227 Q CA -0.373 55.295 55.803 -0.224 0.000 0.796 227 Q CB 1.002 29.842 28.738 0.171 0.000 1.271 227 Q HN 0.602 nan 8.270 nan 0.000 0.450 228 F N 2.167 122.205 119.950 0.148 0.000 2.450 228 F HA 0.430 4.956 4.527 -0.001 0.000 0.332 228 F C 0.442 176.392 175.800 0.250 0.000 1.093 228 F CA -0.964 57.109 58.000 0.122 0.000 1.003 228 F CB 1.273 40.254 39.000 -0.031 0.000 1.151 228 F HN 0.436 nan 8.300 nan 0.000 0.474 229 N N 1.618 120.548 118.700 0.383 0.000 2.479 229 N HA 0.212 4.952 4.740 -0.001 0.000 0.261 229 N C -0.686 175.004 175.510 0.300 0.000 0.979 229 N CA -0.328 52.905 53.050 0.305 0.000 0.930 229 N CB 1.064 39.672 38.487 0.202 0.000 1.172 229 N HN 0.527 nan 8.380 nan 0.000 0.499 230 D N 1.508 122.110 120.400 0.337 0.000 2.349 230 D HA 0.084 4.724 4.640 -0.001 0.000 0.214 230 D C 1.212 177.628 176.300 0.194 0.000 1.063 230 D CA 0.310 54.482 54.000 0.287 0.000 0.847 230 D CB 0.429 41.463 40.800 0.390 0.000 0.933 230 D HN 0.526 nan 8.370 nan 0.000 0.513 231 T N 0.545 115.194 114.554 0.158 0.000 2.624 231 T HA -0.219 4.131 4.350 -0.001 0.000 0.266 231 T C 1.476 176.232 174.700 0.092 0.000 1.050 231 T CA 1.301 63.466 62.100 0.108 0.000 1.163 231 T CB -0.008 68.912 68.868 0.086 0.000 0.861 231 T HN 0.157 nan 8.240 nan 0.000 0.443 232 E N 0.585 120.840 120.200 0.093 0.000 2.479 232 E HA 0.149 4.498 4.350 -0.001 0.000 0.193 232 E C 0.068 176.715 176.600 0.079 0.000 1.049 232 E CA -0.033 56.412 56.400 0.075 0.000 0.870 232 E CB 0.122 29.861 29.700 0.065 0.000 0.944 232 E HN 0.292 nan 8.360 nan 0.000 0.492 233 V N 3.910 123.884 119.914 0.101 0.000 2.488 233 V HA 0.108 4.227 4.120 -0.001 0.000 0.277 233 V C -2.004 174.143 176.094 0.089 0.000 1.046 233 V CA -1.326 61.036 62.300 0.103 0.000 0.986 233 V CB 0.697 32.600 31.823 0.134 0.000 0.989 233 V HN 0.020 nan 8.190 nan 0.000 0.475 234 P HA 0.323 nan 4.420 nan 0.000 0.274 234 P C -0.848 176.487 177.300 0.057 0.000 1.246 234 P CA -0.408 62.728 63.100 0.060 0.000 0.795 234 P CB 0.588 32.322 31.700 0.056 0.000 1.006 235 L N 1.541 122.774 121.223 0.016 0.000 2.296 235 L HA 0.413 4.753 4.340 -0.001 0.000 0.286 235 L C 0.348 177.162 176.870 -0.094 0.000 1.023 235 L CA -1.056 53.771 54.840 -0.022 0.000 0.812 235 L CB 1.155 43.195 42.059 -0.033 0.000 1.223 235 L HN 0.292 nan 8.230 nan 0.000 0.421 236 I N 3.104 123.566 120.570 -0.181 0.000 2.529 236 I HA 0.170 4.340 4.170 -0.001 0.000 0.284 236 I C -0.231 175.705 176.117 -0.301 0.000 1.082 236 I CA 0.390 61.474 61.300 -0.361 0.000 1.406 236 I CB 0.629 38.124 38.000 -0.841 0.000 1.405 236 I HN 0.572 nan 8.210 nan 0.000 0.548 237 E N 7.311 127.356 120.200 -0.258 0.000 2.256 237 E HA 0.470 4.819 4.350 -0.001 0.000 0.268 237 E C -1.797 174.706 176.600 -0.162 0.000 0.877 237 E CA -0.587 55.659 56.400 -0.258 0.000 0.757 237 E CB 1.992 31.586 29.700 -0.176 0.000 1.183 237 E HN 0.556 nan 8.360 nan 0.000 0.418 238 Y N -1.622 118.585 120.300 -0.154 0.000 2.597 238 Y HA 0.567 5.117 4.550 -0.001 0.000 0.340 238 Y C -0.554 175.268 175.900 -0.129 0.000 1.097 238 Y CA -1.279 56.739 58.100 -0.137 0.000 1.037 238 Y CB 0.960 39.349 38.460 -0.119 0.000 1.305 238 Y HN 0.182 nan 8.280 nan 0.000 0.463 239 S N 2.020 117.707 115.700 -0.021 0.000 2.565 239 S HA 0.422 4.891 4.470 -0.001 0.000 0.276 239 S C -1.323 173.139 174.600 -0.231 0.000 1.326 239 S CA -0.358 57.684 58.200 -0.262 0.000 1.045 239 S CB 0.301 63.180 63.200 -0.535 0.000 0.918 239 S HN 0.528 nan 8.310 nan 0.000 0.505 240 F N 2.410 122.123 119.950 -0.395 0.000 2.493 240 F HA 0.448 4.975 4.527 -0.001 0.000 0.329 240 F C -0.267 175.328 175.800 -0.341 0.000 1.126 240 F CA -0.899 56.951 58.000 -0.250 0.000 0.937 240 F CB 0.857 39.841 39.000 -0.027 0.000 1.146 240 F HN 0.655 nan 8.300 nan 0.000 0.442 241 Y N 2.714 122.782 120.300 -0.388 0.000 2.476 241 Y HA 0.169 4.719 4.550 -0.001 0.000 0.283 241 Y C 1.629 177.413 175.900 -0.194 0.000 1.109 241 Y CA 0.916 58.880 58.100 -0.226 0.000 1.246 241 Y CB -0.500 37.832 38.460 -0.213 0.000 1.068 241 Y HN 0.741 nan 8.280 nan 0.000 0.552 242 S N -0.194 115.332 115.700 -0.290 0.000 3.633 242 S HA -0.216 4.253 4.470 -0.001 0.000 0.637 242 S C -0.685 173.933 174.600 0.029 0.000 2.289 242 S CA 0.122 58.329 58.200 0.013 0.000 2.476 242 S CB -1.159 62.185 63.200 0.241 0.000 0.330 242 S HN 0.451 nan 8.310 nan 0.000 1.787 243 D N 1.728 122.176 120.400 0.081 0.000 2.443 243 D HA 0.124 4.764 4.640 -0.001 0.000 0.239 243 D C 1.420 177.744 176.300 0.039 0.000 1.136 243 D CA 0.567 54.600 54.000 0.054 0.000 0.879 243 D CB 0.361 41.198 40.800 0.062 0.000 1.195 243 D HN 0.601 nan 8.370 nan 0.000 0.443 244 E N 1.115 121.327 120.200 0.020 0.000 2.197 244 E HA -0.307 4.043 4.350 -0.001 0.000 0.205 244 E C 1.483 178.090 176.600 0.013 0.000 1.029 244 E CA 1.794 58.199 56.400 0.007 0.000 0.828 244 E CB 0.117 29.817 29.700 -0.001 0.000 0.737 244 E HN 0.486 nan 8.360 nan 0.000 0.464 245 S N -0.082 115.632 115.700 0.023 0.000 2.507 245 S HA -0.058 4.411 4.470 -0.001 0.000 0.235 245 S C 1.075 175.696 174.600 0.035 0.000 0.988 245 S CA 0.022 58.237 58.200 0.025 0.000 0.944 245 S CB -0.093 63.125 63.200 0.029 0.000 0.762 245 S HN 0.241 nan 8.310 nan 0.000 0.526 246 L N 2.339 123.591 121.223 0.049 0.000 2.385 246 L HA 0.177 4.517 4.340 -0.001 0.000 0.281 246 L C 1.539 178.440 176.870 0.052 0.000 1.106 246 L CA -0.033 54.849 54.840 0.069 0.000 0.856 246 L CB 1.058 43.173 42.059 0.094 0.000 1.186 246 L HN 0.415 nan 8.230 nan 0.000 0.453 247 Q N 4.217 124.051 119.800 0.056 0.000 2.016 247 Q HA -0.119 4.220 4.340 -0.001 0.000 0.200 247 Q C -0.545 175.386 176.000 -0.115 0.000 0.978 247 Q CA 1.528 57.316 55.803 -0.025 0.000 0.833 247 Q CB 0.150 28.902 28.738 0.023 0.000 0.895 247 Q HN 0.594 nan 8.270 nan 0.000 0.427 248 Y N 0.599 120.913 120.300 0.024 0.000 2.341 248 Y HA 0.372 4.922 4.550 -0.001 0.000 0.337 248 Y C -2.012 173.901 175.900 0.022 0.000 1.014 248 Y CA -2.955 55.156 58.100 0.020 0.000 1.111 248 Y CB 1.212 39.675 38.460 0.006 0.000 1.194 248 Y HN 0.176 nan 8.280 nan 0.000 0.462 249 P HA 0.027 nan 4.420 nan 0.000 0.267 249 P C -0.912 176.406 177.300 0.031 0.000 1.200 249 P CA -0.405 62.723 63.100 0.047 0.000 0.772 249 P CB 0.525 32.201 31.700 -0.039 0.000 0.855 250 K N 0.393 120.800 120.400 0.011 0.000 2.118 250 K HA 0.504 4.823 4.320 -0.001 0.000 0.254 250 K C -0.920 175.645 176.600 -0.057 0.000 0.961 250 K CA -0.608 55.681 56.287 0.004 0.000 0.876 250 K CB 0.773 33.296 32.500 0.038 0.000 1.077 250 K HN 0.206 nan 8.250 nan 0.000 0.440 251 T N 2.312 116.814 114.554 -0.086 0.000 2.733 251 T HA 0.198 4.548 4.350 -0.001 0.000 0.294 251 T C -0.280 174.296 174.700 -0.207 0.000 0.956 251 T CA -0.681 61.329 62.100 -0.150 0.000 0.987 251 T CB 0.898 69.688 68.868 -0.129 0.000 0.920 251 T HN 0.380 nan 8.240 nan 0.000 0.470 252 V N 6.066 125.765 119.914 -0.358 0.000 2.530 252 V HA 0.405 4.525 4.120 -0.001 0.000 0.282 252 V C 0.591 176.382 176.094 -0.504 0.000 1.048 252 V CA -0.552 61.476 62.300 -0.454 0.000 0.997 252 V CB 0.374 31.805 31.823 -0.653 0.000 0.987 252 V HN 0.786 nan 8.190 nan 0.000 0.477 253 R N 4.316 124.654 120.500 -0.269 0.000 2.451 253 R HA 0.748 5.087 4.340 -0.001 0.000 0.307 253 R C -1.464 174.790 176.300 -0.076 0.000 0.965 253 R CA -0.567 55.413 56.100 -0.199 0.000 0.865 253 R CB 1.713 31.934 30.300 -0.132 0.000 1.174 253 R HN 0.485 nan 8.270 nan 0.000 0.455 254 V N 1.751 121.612 119.914 -0.088 0.000 2.540 254 V HA 0.534 4.654 4.120 -0.001 0.000 0.302 254 V C -2.721 173.394 176.094 0.036 0.000 1.035 254 V CA -2.651 59.666 62.300 0.028 0.000 0.873 254 V CB 2.265 34.104 31.823 0.027 0.000 0.992 254 V HN 0.610 nan 8.190 nan 0.000 0.428 255 P HA 0.188 nan 4.420 nan 0.000 0.264 255 P C -1.653 175.739 177.300 0.154 0.000 1.229 255 P CA 0.669 63.860 63.100 0.153 0.000 0.780 255 P CB -0.449 31.386 31.700 0.224 0.000 0.808 256 Y N 6.582 126.852 120.300 -0.050 0.000 2.301 256 Y HA 0.376 4.925 4.550 -0.001 0.000 0.325 256 Y C -2.811 173.060 175.900 -0.048 0.000 1.103 256 Y CA -2.999 55.025 58.100 -0.127 0.000 1.182 256 Y CB 1.665 39.929 38.460 -0.327 0.000 1.139 256 Y HN 0.263 nan 8.280 nan 0.000 0.443 257 P HA 0.275 nan 4.420 nan 0.000 0.286 257 P C -0.850 176.480 177.300 0.050 0.000 1.321 257 P CA -0.167 62.965 63.100 0.052 0.000 0.790 257 P CB 1.237 32.954 31.700 0.027 0.000 0.897 258 K N 1.949 122.473 120.400 0.206 0.000 2.118 258 K HA 0.511 4.830 4.320 -0.001 0.000 0.240 258 K C 0.572 177.275 176.600 0.172 0.000 1.035 258 K CA -0.759 55.677 56.287 0.248 0.000 0.899 258 K CB 0.431 33.114 32.500 0.305 0.000 1.085 258 K HN 0.426 nan 8.250 nan 0.000 0.498 259 A N 0.648 123.601 122.820 0.222 0.000 2.580 259 A HA 0.258 4.578 4.320 -0.001 0.000 0.244 259 A C 1.196 178.831 177.584 0.085 0.000 1.045 259 A CA 0.982 53.140 52.037 0.203 0.000 0.761 259 A CB -1.313 17.898 19.000 0.352 0.000 0.962 259 A HN 0.896 nan 8.150 nan 0.000 0.512 260 G N 0.915 109.751 108.800 0.061 0.000 2.184 260 G HA2 0.093 4.052 3.960 -0.001 0.000 0.264 260 G HA3 0.093 4.052 3.960 -0.001 0.000 0.264 260 G C 0.663 175.579 174.900 0.026 0.000 0.975 260 G CA 0.862 45.970 45.100 0.014 0.000 0.642 260 G HN 2.159 nan 8.290 nan 0.000 0.536 261 A N -0.617 122.235 122.820 0.053 0.000 2.249 261 A HA 0.776 5.096 4.320 -0.001 0.000 0.281 261 A C 0.850 178.463 177.584 0.049 0.000 1.127 261 A CA 0.248 52.318 52.037 0.054 0.000 0.833 261 A CB 0.662 19.708 19.000 0.077 0.000 1.140 261 A HN 1.141 nan 8.150 nan 0.000 0.502 262 V N 2.213 122.156 119.914 0.049 0.000 2.529 262 V HA 0.035 4.155 4.120 -0.001 0.000 0.292 262 V C 0.286 176.418 176.094 0.063 0.000 1.028 262 V CA -0.096 62.232 62.300 0.047 0.000 1.074 262 V CB -0.073 31.778 31.823 0.048 0.000 0.958 262 V HN 0.778 nan 8.190 nan 0.000 0.481 263 N N 6.027 124.761 118.700 0.057 0.000 2.495 263 N HA 0.462 5.202 4.740 -0.001 0.000 0.280 263 N C -2.402 173.180 175.510 0.119 0.000 1.168 263 N CA -1.530 51.572 53.050 0.087 0.000 0.978 263 N CB 1.096 39.617 38.487 0.056 0.000 1.191 263 N HN 0.394 nan 8.380 nan 0.000 0.497 264 P HA 0.081 nan 4.420 nan 0.000 0.272 264 P C -0.320 177.123 177.300 0.239 0.000 1.223 264 P CA -0.129 63.118 63.100 0.245 0.000 0.784 264 P CB 0.302 32.205 31.700 0.339 0.000 0.923 265 T N -1.423 113.253 114.554 0.203 0.000 2.936 265 T HA 0.604 4.953 4.350 -0.001 0.000 0.282 265 T C -0.183 174.658 174.700 0.235 0.000 1.003 265 T CA -0.813 61.374 62.100 0.145 0.000 1.005 265 T CB 1.401 70.313 68.868 0.073 0.000 1.097 265 T HN 0.351 nan 8.240 nan 0.000 0.532 266 V N -0.008 120.023 119.914 0.195 0.000 2.971 266 V HA 0.749 4.869 4.120 -0.001 0.000 0.309 266 V C -1.622 174.571 176.094 0.166 0.000 1.130 266 V CA -0.865 61.539 62.300 0.172 0.000 0.964 266 V CB 2.192 34.188 31.823 0.288 0.000 1.029 266 V HN 1.069 nan 8.190 nan 0.000 0.427 267 K N 3.975 124.403 120.400 0.046 0.000 2.444 267 K HA 0.641 4.960 4.320 -0.001 0.000 0.252 267 K C -1.948 174.581 176.600 -0.119 0.000 0.993 267 K CA -0.500 55.781 56.287 -0.011 0.000 0.847 267 K CB 2.803 35.268 32.500 -0.059 0.000 1.340 267 K HN 0.544 nan 8.250 nan 0.000 0.446 268 F N 1.543 121.193 119.950 -0.500 0.000 2.565 268 F HA 0.602 5.129 4.527 -0.001 0.000 0.313 268 F C -1.585 173.647 175.800 -0.946 0.000 1.091 268 F CA -0.606 57.076 58.000 -0.529 0.000 0.915 268 F CB 1.050 39.881 39.000 -0.282 0.000 1.208 268 F HN 0.393 nan 8.300 nan 0.000 0.453 269 F N 3.715 122.992 119.950 -1.121 0.000 2.613 269 F HA 0.720 5.247 4.527 -0.001 0.000 0.310 269 F C -1.090 174.134 175.800 -0.960 0.000 1.085 269 F CA -1.159 56.293 58.000 -0.914 0.000 0.945 269 F CB 2.171 40.486 39.000 -1.141 0.000 1.298 269 F HN 0.138 nan 8.300 nan 0.000 0.455 270 V N 2.747 122.482 119.914 -0.298 0.000 2.531 270 V HA 0.645 4.765 4.120 -0.001 0.000 0.301 270 V C -1.031 175.133 176.094 0.117 0.000 1.034 270 V CA -0.882 61.303 62.300 -0.192 0.000 0.865 270 V CB 1.821 33.312 31.823 -0.554 0.000 0.995 270 V HN 0.619 nan 8.190 nan 0.000 0.424 271 V N 4.168 124.214 119.914 0.221 0.000 2.628 271 V HA 0.543 4.663 4.120 -0.001 0.000 0.306 271 V C -0.084 176.225 176.094 0.360 0.000 1.045 271 V CA -0.589 61.873 62.300 0.270 0.000 0.905 271 V CB 1.833 33.758 31.823 0.169 0.000 0.997 271 V HN 1.005 nan 8.190 nan 0.000 0.436 272 N N 3.280 122.181 118.700 0.335 0.000 2.420 272 N HA 0.163 4.902 4.740 -0.001 0.000 0.262 272 N C 1.161 176.662 175.510 -0.014 0.000 1.144 272 N CA 0.437 53.556 53.050 0.114 0.000 0.952 272 N CB 1.148 39.693 38.487 0.097 0.000 1.081 272 N HN 0.936 nan 8.380 nan 0.000 0.480 273 T N -0.199 114.319 114.554 -0.060 0.000 3.100 273 T HA 0.035 4.384 4.350 -0.001 0.000 0.253 273 T C 0.681 175.318 174.700 -0.104 0.000 1.118 273 T CA 0.429 62.500 62.100 -0.047 0.000 1.058 273 T CB 0.150 69.090 68.868 0.120 0.000 0.953 273 T HN 0.385 nan 8.240 nan 0.000 0.515 274 D N 1.537 121.854 120.400 -0.138 0.000 2.183 274 D HA 0.080 4.719 4.640 -0.001 0.000 0.205 274 D C 2.255 178.493 176.300 -0.104 0.000 0.962 274 D CA 0.681 54.606 54.000 -0.125 0.000 0.849 274 D CB -0.326 40.388 40.800 -0.143 0.000 0.978 274 D HN 0.343 nan 8.370 nan 0.000 0.488 275 S N 0.703 116.349 115.700 -0.090 0.000 2.419 275 S HA -0.043 4.426 4.470 -0.001 0.000 0.233 275 S C 1.184 175.747 174.600 -0.061 0.000 1.016 275 S CA 0.031 58.206 58.200 -0.042 0.000 0.974 275 S CB -0.345 62.861 63.200 0.011 0.000 0.786 275 S HN 0.372 nan 8.310 nan 0.000 0.492 276 L N 2.533 123.672 121.223 -0.140 0.000 2.600 276 L HA 0.258 4.597 4.340 -0.001 0.000 0.278 276 L C 0.835 177.592 176.870 -0.189 0.000 1.139 276 L CA -0.494 54.219 54.840 -0.212 0.000 0.933 276 L CB -0.253 41.573 42.059 -0.388 0.000 1.266 276 L HN 0.165 nan 8.230 nan 0.000 0.471 277 S N 3.881 119.567 115.700 -0.023 0.000 2.154 277 S HA 0.031 4.500 4.470 -0.001 0.000 0.154 277 S C 0.935 175.667 174.600 0.220 0.000 1.392 277 S CA 0.544 58.792 58.200 0.080 0.000 2.418 277 S CB -0.272 62.972 63.200 0.075 0.000 0.325 277 S HN 1.343 nan 8.310 nan 0.000 0.348 278 S N -2.177 113.647 115.700 0.206 0.000 4.504 278 S HA -0.001 4.469 4.470 -0.001 0.000 0.056 278 S C 0.113 174.807 174.600 0.156 0.000 0.859 278 S CA 0.102 58.450 58.200 0.247 0.000 0.883 278 S CB -1.031 62.392 63.200 0.372 0.000 0.592 278 S HN 0.554 nan 8.310 nan 0.000 0.782 279 V N 1.892 121.875 119.914 0.115 0.000 3.573 279 V HA 0.327 4.446 4.120 -0.001 0.000 0.270 279 V C 0.581 176.718 176.094 0.071 0.000 1.221 279 V CA 2.089 64.438 62.300 0.080 0.000 1.163 279 V CB -0.084 31.776 31.823 0.062 0.000 0.847 279 V HN 0.865 nan 8.190 nan 0.000 0.468 280 T N -1.541 113.068 114.554 0.091 0.000 2.700 280 T HA 0.149 4.499 4.350 -0.001 0.000 0.307 280 T C -0.813 173.959 174.700 0.120 0.000 1.580 280 T CA -0.882 61.263 62.100 0.075 0.000 0.992 280 T CB 0.698 69.595 68.868 0.048 0.000 1.577 280 T HN -0.042 nan 8.240 nan 0.000 0.496 281 N N 1.917 120.678 118.700 0.103 0.000 2.347 281 N HA 0.318 5.057 4.740 -0.001 0.000 0.278 281 N C 0.171 175.752 175.510 0.119 0.000 1.367 281 N CA 0.303 53.441 53.050 0.147 0.000 0.898 281 N CB -0.006 38.530 38.487 0.081 0.000 1.203 281 N HN 0.858 nan 8.380 nan 0.000 0.491 282 A N 2.832 125.727 122.820 0.125 0.000 2.565 282 A HA 0.168 4.488 4.320 -0.001 0.000 0.237 282 A C 0.496 178.134 177.584 0.089 0.000 1.053 282 A CA -0.054 52.032 52.037 0.081 0.000 0.755 282 A CB -0.147 18.874 19.000 0.036 0.000 0.980 282 A HN 0.635 nan 8.150 nan 0.000 0.506 283 T N 1.273 115.887 114.554 0.100 0.000 2.728 283 T HA 0.500 4.850 4.350 -0.001 0.000 0.296 283 T C 0.098 174.885 174.700 0.145 0.000 0.940 283 T CA -0.492 61.678 62.100 0.116 0.000 1.013 283 T CB 0.672 69.616 68.868 0.127 0.000 0.912 283 T HN 0.455 nan 8.240 nan 0.000 0.484 284 S N 3.105 118.875 115.700 0.116 0.000 2.505 284 S HA 0.363 4.833 4.470 -0.001 0.000 0.276 284 S C 0.087 174.846 174.600 0.265 0.000 1.274 284 S CA -0.669 57.622 58.200 0.152 0.000 1.053 284 S CB -0.121 63.051 63.200 -0.046 0.000 0.919 284 S HN 0.597 nan 8.310 nan 0.000 0.490 285 I N 3.054 123.802 120.570 0.296 0.000 2.321 285 I HA 0.224 4.394 4.170 -0.001 0.000 0.291 285 I C 0.481 176.730 176.117 0.220 0.000 0.998 285 I CA -0.038 61.439 61.300 0.294 0.000 1.227 285 I CB 1.260 39.482 38.000 0.370 0.000 1.368 285 I HN 0.595 nan 8.210 nan 0.000 0.466 286 Q N 5.963 125.856 119.800 0.155 0.000 2.332 286 Q HA 0.449 4.788 4.340 -0.001 0.000 0.263 286 Q C -1.000 174.941 176.000 -0.099 0.000 0.979 286 Q CA -0.091 55.583 55.803 -0.214 0.000 0.885 286 Q CB 0.808 29.386 28.738 -0.267 0.000 1.218 286 Q HN 0.547 nan 8.270 nan 0.000 0.405 287 I N 3.784 124.279 120.570 -0.124 0.000 2.389 287 I HA 0.253 4.422 4.170 -0.001 0.000 0.288 287 I C 0.392 176.491 176.117 -0.030 0.000 0.999 287 I CA -0.564 60.725 61.300 -0.018 0.000 1.129 287 I CB 1.708 39.720 38.000 0.020 0.000 1.288 287 I HN 0.723 nan 8.210 nan 0.000 0.444 288 T N 2.926 117.428 114.554 -0.087 0.000 2.892 288 T HA 0.895 5.245 4.350 -0.001 0.000 0.280 288 T C 0.516 174.994 174.700 -0.370 0.000 1.004 288 T CA 0.199 62.190 62.100 -0.182 0.000 0.950 288 T CB 1.778 70.545 68.868 -0.170 0.000 1.309 288 T HN 1.108 nan 8.240 nan 0.000 0.592 289 A N 0.409 122.878 122.820 -0.585 0.000 5.805 289 A HA 0.033 4.353 4.320 -0.001 0.000 0.256 289 A C -2.480 174.384 177.584 -1.201 0.000 2.214 289 A CA -0.029 51.601 52.037 -0.679 0.000 0.709 289 A CB -2.811 15.956 19.000 -0.389 0.000 1.038 289 A HN 0.972 nan 8.150 nan 0.000 0.350 290 P HA 0.444 nan 4.420 nan 0.000 0.274 290 P C 0.981 178.062 177.300 -0.364 0.000 1.256 290 P CA 0.722 63.567 63.100 -0.426 0.000 0.795 290 P CB 0.645 32.184 31.700 -0.269 0.000 1.038 291 A N 1.567 124.249 122.820 -0.230 0.000 1.917 291 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 291 A C 2.245 179.732 177.584 -0.161 0.000 1.182 291 A CA 2.743 54.673 52.037 -0.179 0.000 0.633 291 A CB -1.968 16.960 19.000 -0.120 0.000 0.819 291 A HN 0.686 nan 8.150 nan 0.000 0.448 292 S N -2.024 113.604 115.700 -0.121 0.000 2.507 292 S HA -0.047 4.423 4.470 -0.001 0.000 0.235 292 S C 1.655 176.199 174.600 -0.094 0.000 0.988 292 S CA 1.664 59.823 58.200 -0.070 0.000 0.944 292 S CB -0.242 62.991 63.200 0.056 0.000 0.762 292 S HN 0.428 nan 8.310 nan 0.000 0.526 293 M N 0.546 120.020 119.600 -0.210 0.000 2.657 293 M HA 0.470 4.949 4.480 -0.001 0.000 0.262 293 M C 1.576 177.631 176.300 -0.408 0.000 1.213 293 M CA 0.780 55.892 55.300 -0.314 0.000 1.182 293 M CB -0.096 32.187 32.600 -0.528 0.000 1.303 293 M HN 0.222 nan 8.290 nan 0.000 0.501 294 L N 0.571 121.550 121.223 -0.406 0.000 2.456 294 L HA -0.120 4.219 4.340 -0.001 0.000 0.224 294 L C 2.076 178.892 176.870 -0.090 0.000 1.148 294 L CA 0.625 55.315 54.840 -0.249 0.000 0.825 294 L CB -0.997 40.925 42.059 -0.228 0.000 0.937 294 L HN 0.430 nan 8.230 nan 0.000 0.450 295 I N -2.390 118.125 120.570 -0.092 0.000 2.361 295 I HA -0.001 4.169 4.170 -0.001 0.000 0.251 295 I C 1.272 177.375 176.117 -0.023 0.000 1.133 295 I CA 1.210 62.475 61.300 -0.057 0.000 1.413 295 I CB -0.556 37.402 38.000 -0.071 0.000 1.073 295 I HN 0.100 nan 8.210 nan 0.000 0.424 296 G N -0.201 108.603 108.800 0.007 0.000 2.947 296 G HA2 0.308 4.267 3.960 -0.001 0.000 0.293 296 G HA3 0.308 4.267 3.960 -0.001 0.000 0.293 296 G C -1.759 173.190 174.900 0.082 0.000 1.243 296 G CA -0.470 44.645 45.100 0.024 0.000 0.802 296 G HN 0.038 nan 8.290 nan 0.000 0.560 297 D N 1.284 121.684 120.400 0.001 0.000 2.424 297 D HA 0.434 5.074 4.640 -0.001 0.000 0.244 297 D C 0.173 176.413 176.300 -0.099 0.000 1.134 297 D CA 0.562 54.505 54.000 -0.096 0.000 0.881 297 D CB 0.466 41.182 40.800 -0.140 0.000 1.191 297 D HN 0.513 nan 8.370 nan 0.000 0.445 298 H N -0.317 118.620 119.070 -0.222 0.000 3.017 298 H HA 0.421 4.977 4.556 -0.001 0.000 0.346 298 H C -1.353 173.855 175.328 -0.200 0.000 1.286 298 H CA -0.821 55.111 56.048 -0.193 0.000 1.120 298 H CB 0.318 30.090 29.762 0.016 0.000 1.860 298 H HN 0.271 nan 8.280 nan 0.000 0.542 299 Y N 0.261 120.797 120.300 0.394 0.000 2.524 299 Y HA 0.382 4.931 4.550 -0.001 0.000 0.344 299 Y C -0.156 176.033 175.900 0.482 0.000 1.012 299 Y CA -1.216 57.121 58.100 0.395 0.000 1.068 299 Y CB 1.878 40.412 38.460 0.123 0.000 1.249 299 Y HN 0.468 nan 8.280 nan 0.000 0.468 300 L N 3.075 124.659 121.223 0.603 0.000 2.278 300 L HA 0.337 4.676 4.340 -0.001 0.000 0.287 300 L C 0.468 177.398 176.870 0.101 0.000 1.072 300 L CA -0.170 54.696 54.840 0.042 0.000 0.819 300 L CB 0.311 42.295 42.059 -0.125 0.000 1.176 300 L HN 1.013 nan 8.230 nan 0.000 0.435 301 C N 1.406 120.621 119.300 -0.141 0.000 3.228 301 C HA 0.498 4.957 4.460 -0.001 0.000 0.290 301 C C 0.228 175.039 174.990 -0.298 0.000 1.301 301 C CA -0.414 58.437 59.018 -0.279 0.000 1.703 301 C CB -0.747 26.893 27.740 -0.167 0.000 2.141 301 C HN 0.852 nan 8.230 nan 0.000 0.656 302 D N 0.099 120.373 120.400 -0.209 0.000 2.745 302 D HA 0.360 5.000 4.640 -0.001 0.000 0.221 302 D C -1.805 174.273 176.300 -0.370 0.000 1.237 302 D CA 0.096 54.013 54.000 -0.139 0.000 0.781 302 D CB 2.644 43.346 40.800 -0.164 0.000 1.575 302 D HN 0.269 nan 8.370 nan 0.000 0.482 303 V N 1.506 121.131 119.914 -0.482 0.000 2.638 303 V HA 0.817 4.937 4.120 -0.001 0.000 0.306 303 V C -1.555 174.177 176.094 -0.603 0.000 1.052 303 V CA 0.063 61.864 62.300 -0.832 0.000 0.885 303 V CB 1.923 32.910 31.823 -1.394 0.000 0.999 303 V HN 0.612 nan 8.190 nan 0.000 0.424 304 T N 6.315 120.598 114.554 -0.451 0.000 3.170 304 T HA 0.357 4.707 4.350 -0.001 0.000 0.315 304 T C -0.972 173.610 174.700 -0.197 0.000 0.967 304 T CA -0.198 61.801 62.100 -0.169 0.000 1.024 304 T CB 0.635 69.472 68.868 -0.052 0.000 1.018 304 T HN 0.784 nan 8.240 nan 0.000 0.449 305 W N 2.089 123.342 121.300 -0.078 0.000 2.193 305 W HA 0.421 5.081 4.660 -0.001 0.000 0.338 305 W C 1.183 177.582 176.519 -0.200 0.000 1.310 305 W CA 0.019 57.309 57.345 -0.091 0.000 1.243 305 W CB 0.497 29.984 29.460 0.046 0.000 1.165 305 W HN 0.824 nan 8.180 nan 0.000 0.566 306 A N 1.610 124.335 122.820 -0.158 0.000 1.970 306 A HA 0.236 4.555 4.320 -0.001 0.000 0.204 306 A C 0.836 178.362 177.584 -0.097 0.000 1.325 306 A CA 1.381 53.064 52.037 -0.591 0.000 0.767 306 A CB -0.305 17.825 19.000 -1.449 0.000 0.949 306 A HN 0.532 nan 8.150 nan 0.000 0.481 307 T N -5.359 109.249 114.554 0.090 0.000 2.618 307 T HA 0.326 4.675 4.350 -0.001 0.000 0.286 307 T C 0.210 175.084 174.700 0.290 0.000 1.027 307 T CA -0.274 61.930 62.100 0.173 0.000 1.063 307 T CB 0.531 69.484 68.868 0.141 0.000 1.440 307 T HN -0.052 nan 8.240 nan 0.000 0.505 308 Q N 0.349 120.285 119.800 0.226 0.000 2.297 308 Q HA 0.007 4.347 4.340 -0.001 0.000 0.208 308 Q C 0.946 177.213 176.000 0.444 0.000 0.981 308 Q CA 1.544 57.491 55.803 0.240 0.000 0.876 308 Q CB -0.142 28.701 28.738 0.173 0.000 0.921 308 Q HN 0.821 nan 8.270 nan 0.000 0.446 309 E N -0.668 119.797 120.200 0.441 0.000 2.743 309 E HA 0.190 4.540 4.350 -0.001 0.000 0.222 309 E C -0.198 176.651 176.600 0.415 0.000 0.959 309 E CA -0.155 56.502 56.400 0.428 0.000 1.198 309 E CB 1.180 31.041 29.700 0.268 0.000 1.100 309 E HN -0.055 nan 8.360 nan 0.000 0.518 310 R N 1.717 122.469 120.500 0.421 0.000 2.502 310 R HA 0.499 4.839 4.340 -0.001 0.000 0.300 310 R C -1.581 174.727 176.300 0.013 0.000 0.984 310 R CA -0.408 55.815 56.100 0.205 0.000 0.882 310 R CB 1.381 31.702 30.300 0.034 0.000 1.180 310 R HN 0.051 nan 8.270 nan 0.000 0.444 311 I N 3.014 123.441 120.570 -0.239 0.000 2.474 311 I HA 0.377 4.547 4.170 -0.001 0.000 0.294 311 I C -0.564 175.227 176.117 -0.543 0.000 1.005 311 I CA -0.424 60.440 61.300 -0.727 0.000 1.113 311 I CB 2.033 39.151 38.000 -1.470 0.000 1.289 311 I HN 0.744 nan 8.210 nan 0.000 0.436 312 S N 7.640 123.015 115.700 -0.541 0.000 2.509 312 S HA 0.758 5.228 4.470 -0.001 0.000 0.297 312 S C -1.072 173.199 174.600 -0.548 0.000 1.118 312 S CA -0.707 57.249 58.200 -0.408 0.000 1.074 312 S CB 1.745 64.823 63.200 -0.204 0.000 1.038 312 S HN 0.424 nan 8.310 nan 0.000 0.498 313 L N 2.078 122.993 121.223 -0.514 0.000 2.410 313 L HA 0.535 4.874 4.340 -0.001 0.000 0.270 313 L C -0.330 176.241 176.870 -0.498 0.000 0.983 313 L CA -0.319 54.114 54.840 -0.679 0.000 0.822 313 L CB 1.667 43.228 42.059 -0.830 0.000 1.285 313 L HN 0.856 nan 8.230 nan 0.000 0.409 314 Q N 1.880 121.368 119.800 -0.520 0.000 2.316 314 Q HA 0.490 4.829 4.340 -0.001 0.000 0.264 314 Q C -1.500 174.265 176.000 -0.391 0.000 0.987 314 Q CA -0.358 55.249 55.803 -0.327 0.000 0.852 314 Q CB 2.006 30.612 28.738 -0.220 0.000 1.287 314 Q HN 0.476 nan 8.270 nan 0.000 0.448 315 W N 2.571 123.824 121.300 -0.079 0.000 2.639 315 W HA 0.652 5.311 4.660 -0.001 0.000 0.347 315 W C -0.850 175.696 176.519 0.045 0.000 1.067 315 W CA -0.687 56.661 57.345 0.004 0.000 1.218 315 W CB 1.070 30.508 29.460 -0.037 0.000 1.393 315 W HN 0.412 nan 8.180 nan 0.000 0.557 316 L N 1.972 123.427 121.223 0.386 0.000 2.431 316 L HA 0.575 4.915 4.340 -0.001 0.000 0.266 316 L C -0.292 176.785 176.870 0.344 0.000 0.978 316 L CA -1.013 54.011 54.840 0.307 0.000 0.822 316 L CB 1.546 43.754 42.059 0.248 0.000 1.310 316 L HN 0.416 nan 8.230 nan 0.000 0.409 317 R N 2.117 122.781 120.500 0.274 0.000 2.694 317 R HA 0.231 4.570 4.340 -0.001 0.000 0.268 317 R C 1.173 177.567 176.300 0.156 0.000 1.061 317 R CA 0.219 56.434 56.100 0.192 0.000 1.133 317 R CB 0.679 31.080 30.300 0.167 0.000 1.020 317 R HN 0.715 nan 8.270 nan 0.000 0.475 318 R N 1.955 122.449 120.500 -0.009 0.000 2.103 318 R HA -0.106 4.233 4.340 -0.001 0.000 0.242 318 R C 0.340 176.708 176.300 0.114 0.000 1.142 318 R CA 1.252 57.337 56.100 -0.026 0.000 0.960 318 R CB 0.063 30.285 30.300 -0.129 0.000 0.858 318 R HN 0.385 nan 8.270 nan 0.000 0.439 319 I N 2.981 123.595 120.570 0.072 0.000 2.389 319 I HA -0.029 4.140 4.170 -0.001 0.000 0.295 319 I C 0.168 176.347 176.117 0.103 0.000 1.117 319 I CA 0.627 61.970 61.300 0.071 0.000 1.317 319 I CB 0.714 38.737 38.000 0.039 0.000 1.431 319 I HN 0.326 nan 8.210 nan 0.000 0.521 320 Q N 4.394 124.250 119.800 0.094 0.000 2.600 320 Q HA 0.018 4.357 4.340 -0.001 0.000 0.276 320 Q C 0.767 176.833 176.000 0.111 0.000 1.006 320 Q CA -0.015 55.852 55.803 0.107 0.000 0.942 320 Q CB 0.052 28.805 28.738 0.026 0.000 1.383 320 Q HN 0.458 nan 8.270 nan 0.000 0.414 321 N N -0.468 118.309 118.700 0.129 0.000 2.348 321 N HA 0.011 4.751 4.740 -0.001 0.000 0.183 321 N C -1.218 174.405 175.510 0.188 0.000 1.094 321 N CA 0.383 53.508 53.050 0.124 0.000 0.885 321 N CB 0.704 39.257 38.487 0.110 0.000 1.065 321 N HN 0.296 nan 8.380 nan 0.000 0.472 322 Y N 0.612 120.937 120.300 0.043 0.000 2.330 322 Y HA 0.380 4.930 4.550 -0.001 0.000 0.324 322 Y C -1.085 174.853 175.900 0.064 0.000 1.093 322 Y CA -0.947 57.178 58.100 0.042 0.000 1.103 322 Y CB 1.023 39.501 38.460 0.029 0.000 1.183 322 Y HN -0.076 nan 8.280 nan 0.000 0.433 323 S N 4.069 119.694 115.700 -0.124 0.000 2.536 323 S HA 0.895 5.365 4.470 -0.001 0.000 0.298 323 S C -1.628 172.851 174.600 -0.201 0.000 1.083 323 S CA -0.796 57.366 58.200 -0.063 0.000 0.995 323 S CB 2.070 65.263 63.200 -0.013 0.000 1.058 323 S HN 0.383 nan 8.310 nan 0.000 0.488 324 V N 3.374 123.254 119.914 -0.056 0.000 2.487 324 V HA 0.490 4.610 4.120 -0.001 0.000 0.298 324 V C -0.356 175.757 176.094 0.032 0.000 1.028 324 V CA -0.670 61.601 62.300 -0.048 0.000 0.860 324 V CB 1.718 33.537 31.823 -0.008 0.000 0.991 324 V HN 1.042 nan 8.190 nan 0.000 0.427 325 M N 4.026 123.619 119.600 -0.011 0.000 2.157 325 M HA 0.502 4.982 4.480 -0.001 0.000 0.354 325 M C -1.075 175.232 176.300 0.013 0.000 1.170 325 M CA -0.201 55.075 55.300 -0.041 0.000 1.060 325 M CB 0.873 33.393 32.600 -0.134 0.000 1.615 325 M HN 0.567 nan 8.290 nan 0.000 0.460 326 D N 5.157 125.557 120.400 0.001 0.000 2.181 326 D HA 0.557 5.197 4.640 -0.001 0.000 0.248 326 D C -0.881 175.379 176.300 -0.067 0.000 1.020 326 D CA 0.018 54.016 54.000 -0.003 0.000 0.891 326 D CB 1.658 42.479 40.800 0.035 0.000 1.187 326 D HN 0.600 nan 8.370 nan 0.000 0.443 327 I N 1.868 122.425 120.570 -0.022 0.000 2.439 327 I HA 0.303 4.472 4.170 -0.001 0.000 0.285 327 I C -0.807 175.305 176.117 -0.009 0.000 1.021 327 I CA -0.632 60.649 61.300 -0.030 0.000 1.091 327 I CB 1.415 39.454 38.000 0.065 0.000 1.242 327 I HN 0.157 nan 8.210 nan 0.000 0.439 328 c N 3.664 122.250 118.600 -0.023 0.000 2.408 328 c HA 0.523 5.092 4.570 -0.001 0.000 0.321 328 c C -0.328 173.903 174.090 0.236 0.000 1.245 328 c CA -0.717 55.669 56.329 0.095 0.000 1.523 328 c CB 1.199 43.763 42.510 0.091 0.000 2.178 328 c HN 0.584 nan 8.230 nan 0.000 0.488 329 D N 0.593 121.093 120.400 0.168 0.000 2.192 329 D HA 0.312 4.951 4.640 -0.001 0.000 0.246 329 D C -0.537 175.623 176.300 -0.234 0.000 1.042 329 D CA -0.172 53.857 54.000 0.048 0.000 0.847 329 D CB 0.784 41.576 40.800 -0.013 0.000 1.186 329 D HN 0.561 nan 8.370 nan 0.000 0.461 330 Y N 1.868 121.663 120.300 -0.841 0.000 2.526 330 Y HA 0.120 4.670 4.550 -0.001 0.000 0.330 330 Y C -0.005 175.556 175.900 -0.565 0.000 1.156 330 Y CA 0.205 57.515 58.100 -1.316 0.000 1.419 330 Y CB 0.573 38.209 38.460 -1.373 0.000 1.250 330 Y HN 0.198 nan 8.280 nan 0.000 0.540 331 D N 5.696 125.440 120.400 -1.094 0.000 2.427 331 D HA 0.073 4.712 4.640 -0.001 0.000 0.226 331 D C 0.610 176.307 176.300 -1.004 0.000 1.076 331 D CA -0.084 53.461 54.000 -0.759 0.000 0.849 331 D CB 1.018 41.554 40.800 -0.440 0.000 1.052 331 D HN 0.900 nan 8.370 nan 0.000 0.515 332 E N 1.179 120.938 120.200 -0.735 0.000 2.160 332 E HA -0.128 4.221 4.350 -0.001 0.000 0.195 332 E C 0.989 177.440 176.600 -0.247 0.000 0.991 332 E CA 0.852 56.995 56.400 -0.427 0.000 0.810 332 E CB 0.271 29.890 29.700 -0.135 0.000 0.742 332 E HN 0.168 nan 8.360 nan 0.000 0.466 333 S N -1.081 114.487 115.700 -0.220 0.000 2.840 333 S HA 0.026 4.496 4.470 -0.001 0.000 0.235 333 S C 0.408 174.940 174.600 -0.112 0.000 0.968 333 S CA 0.511 58.635 58.200 -0.127 0.000 1.026 333 S CB 0.055 63.195 63.200 -0.101 0.000 0.788 333 S HN 0.388 nan 8.310 nan 0.000 0.487 334 S N -2.572 113.046 115.700 -0.137 0.000 1.984 334 S HA 0.204 4.674 4.470 -0.001 0.000 0.220 334 S C 1.133 175.703 174.600 -0.050 0.000 0.849 334 S CA 0.341 58.492 58.200 -0.081 0.000 1.653 334 S CB -0.834 62.314 63.200 -0.086 0.000 1.163 334 S HN 0.844 nan 8.310 nan 0.000 0.522 335 G N 2.137 110.864 108.800 -0.122 0.000 2.168 335 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.257 335 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.257 335 G C 0.039 175.007 174.900 0.113 0.000 0.997 335 G CA 0.636 45.775 45.100 0.064 0.000 0.708 335 G HN 0.782 nan 8.290 nan 0.000 0.520 336 R N -1.851 118.603 120.500 -0.078 0.000 2.700 336 R HA 0.667 5.007 4.340 -0.001 0.000 0.253 336 R C -0.664 175.551 176.300 -0.141 0.000 1.091 336 R CA -0.783 55.337 56.100 0.034 0.000 1.104 336 R CB 0.763 31.078 30.300 0.025 0.000 1.202 336 R HN 0.175 nan 8.270 nan 0.000 0.532 337 W N 0.371 121.690 121.300 0.032 0.000 2.475 337 W HA 0.381 5.041 4.660 -0.001 0.000 0.317 337 W C -0.645 175.856 176.519 -0.030 0.000 1.046 337 W CA -0.384 56.965 57.345 0.006 0.000 1.215 337 W CB 1.193 30.653 29.460 0.001 0.000 1.335 337 W HN 0.419 nan 8.180 nan 0.000 0.471 338 N N 2.104 120.869 118.700 0.108 0.000 2.407 338 N HA 0.431 5.170 4.740 -0.001 0.000 0.277 338 N C -1.466 174.077 175.510 0.056 0.000 0.995 338 N CA -0.593 52.486 53.050 0.048 0.000 0.903 338 N CB 1.052 39.528 38.487 -0.018 0.000 1.218 338 N HN 0.203 nan 8.380 nan 0.000 0.487 339 c N 3.336 121.958 118.600 0.038 0.000 2.146 339 c HA 0.300 4.870 4.570 -0.001 0.000 0.338 339 c C 0.577 174.666 174.090 -0.001 0.000 1.074 339 c CA -1.047 55.293 56.329 0.019 0.000 1.527 339 c CB -1.583 40.928 42.510 0.001 0.000 1.915 339 c HN 0.627 nan 8.230 nan 0.000 0.453 340 L N 3.509 124.733 121.223 0.002 0.000 2.638 340 L HA 0.066 4.405 4.340 -0.001 0.000 0.273 340 L C 0.795 177.655 176.870 -0.018 0.000 1.147 340 L CA 0.283 55.118 54.840 -0.009 0.000 0.941 340 L CB 0.117 42.175 42.059 -0.002 0.000 1.251 340 L HN 0.609 nan 8.230 nan 0.000 0.479 341 V N 5.169 125.064 119.914 -0.031 0.000 2.694 341 V HA 0.329 4.449 4.120 -0.001 0.000 0.306 341 V C 1.022 177.087 176.094 -0.048 0.000 1.054 341 V CA 0.899 63.172 62.300 -0.045 0.000 1.161 341 V CB 0.700 32.494 31.823 -0.048 0.000 0.916 341 V HN 1.107 nan 8.190 nan 0.000 0.490 342 A N 4.671 127.446 122.820 -0.074 0.000 3.066 342 A HA -0.141 4.179 4.320 -0.001 0.000 0.203 342 A C 1.471 179.001 177.584 -0.090 0.000 0.667 342 A CA 0.717 52.709 52.037 -0.074 0.000 1.981 342 A CB -1.448 17.529 19.000 -0.038 0.000 0.890 342 A HN 0.808 nan 8.150 nan 0.000 0.627 343 R N 0.424 120.901 120.500 -0.039 0.000 2.356 343 R HA 0.202 4.542 4.340 -0.001 0.000 0.234 343 R C 0.758 177.047 176.300 -0.018 0.000 0.929 343 R CA 0.525 56.650 56.100 0.041 0.000 1.084 343 R CB 0.154 30.524 30.300 0.117 0.000 1.105 343 R HN 0.703 nan 8.270 nan 0.000 0.515 344 Q N 0.792 120.493 119.800 -0.165 0.000 2.286 344 Q HA 0.090 4.429 4.340 -0.001 0.000 0.257 344 Q C -1.150 174.629 176.000 -0.368 0.000 0.941 344 Q CA -0.116 55.603 55.803 -0.141 0.000 0.912 344 Q CB 0.649 29.328 28.738 -0.098 0.000 1.192 344 Q HN 0.222 nan 8.270 nan 0.000 0.410 345 H N 2.830 121.889 119.070 -0.017 0.000 2.589 345 H HA 0.458 5.013 4.556 -0.001 0.000 0.351 345 H C -0.914 174.373 175.328 -0.068 0.000 1.074 345 H CA -0.500 55.542 56.048 -0.010 0.000 1.203 345 H CB 1.288 31.050 29.762 0.000 0.000 1.558 345 H HN 0.536 nan 8.280 nan 0.000 0.522 346 I N 2.082 122.658 120.570 0.010 0.000 2.354 346 I HA 0.257 4.426 4.170 -0.001 0.000 0.292 346 I C -0.228 175.824 176.117 -0.108 0.000 0.989 346 I CA -0.335 60.877 61.300 -0.147 0.000 1.188 346 I CB 1.511 39.391 38.000 -0.200 0.000 1.342 346 I HN 0.555 nan 8.210 nan 0.000 0.457 347 E N 8.395 128.490 120.200 -0.175 0.000 2.224 347 E HA 0.666 5.016 4.350 -0.001 0.000 0.265 347 E C -1.362 175.167 176.600 -0.118 0.000 0.878 347 E CA -0.702 55.649 56.400 -0.081 0.000 0.759 347 E CB 1.681 31.367 29.700 -0.024 0.000 1.164 347 E HN 0.621 nan 8.360 nan 0.000 0.414 348 M N 1.074 120.644 119.600 -0.049 0.000 2.683 348 M HA 0.607 5.086 4.480 -0.001 0.000 0.274 348 M C -0.985 175.325 176.300 0.015 0.000 1.272 348 M CA -0.994 54.306 55.300 -0.000 0.000 0.833 348 M CB 2.281 34.918 32.600 0.062 0.000 1.708 348 M HN 0.204 nan 8.290 nan 0.000 0.463 349 S N -0.813 114.896 115.700 0.016 0.000 2.540 349 S HA 0.639 5.108 4.470 -0.001 0.000 0.275 349 S C 0.043 174.630 174.600 -0.022 0.000 1.123 349 S CA 0.112 58.298 58.200 -0.023 0.000 0.907 349 S CB 1.864 65.007 63.200 -0.094 0.000 1.081 349 S HN 0.997 nan 8.310 nan 0.000 0.476 350 T N -0.513 114.026 114.554 -0.025 0.000 2.990 350 T HA 0.096 4.446 4.350 -0.001 0.000 0.250 350 T C 1.428 176.105 174.700 -0.038 0.000 1.041 350 T CA 0.891 62.981 62.100 -0.017 0.000 1.010 350 T CB -0.265 68.602 68.868 -0.002 0.000 1.003 350 T HN 0.678 nan 8.240 nan 0.000 0.499 351 T N -1.954 112.564 114.554 -0.060 0.000 3.022 351 T HA 0.618 4.968 4.350 -0.001 0.000 0.250 351 T C 1.062 175.616 174.700 -0.245 0.000 1.060 351 T CA 0.428 62.490 62.100 -0.063 0.000 1.013 351 T CB 0.397 69.286 68.868 0.036 0.000 0.982 351 T HN 0.641 nan 8.240 nan 0.000 0.508 352 G N 0.405 108.923 108.800 -0.469 0.000 2.604 352 G HA2 0.472 4.431 3.960 -0.001 0.000 0.242 352 G HA3 0.472 4.431 3.960 -0.001 0.000 0.242 352 G C -1.723 172.909 174.900 -0.446 0.000 1.208 352 G CA -0.617 43.988 45.100 -0.825 0.000 0.912 352 G HN 0.506 nan 8.290 nan 0.000 0.502 353 W N 0.162 121.170 121.300 -0.486 0.000 2.390 353 W HA 0.735 5.395 4.660 -0.001 0.000 0.362 353 W C -0.323 176.120 176.519 -0.127 0.000 1.206 353 W CA -1.318 55.874 57.345 -0.255 0.000 1.355 353 W CB 0.813 30.088 29.460 -0.307 0.000 1.278 353 W HN 0.273 nan 8.180 nan 0.000 0.653 354 V N 3.601 123.564 119.914 0.081 0.000 2.461 354 V HA 0.637 4.757 4.120 -0.001 0.000 0.275 354 V C 0.881 177.038 176.094 0.105 0.000 1.047 354 V CA 0.493 62.811 62.300 0.030 0.000 0.955 354 V CB -0.170 31.680 31.823 0.044 0.000 0.988 354 V HN 1.315 nan 8.190 nan 0.000 0.471 355 G N 4.991 113.806 108.800 0.025 0.000 2.795 355 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.664 355 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.664 355 G C 0.351 175.323 174.900 0.120 0.000 1.381 355 G CA 0.203 45.347 45.100 0.073 0.000 0.853 355 G HN 0.627 nan 8.290 nan 0.000 0.545 356 R N -0.784 119.780 120.500 0.108 0.000 2.064 356 R HA 0.074 4.414 4.340 -0.001 0.000 0.228 356 R C 2.265 178.557 176.300 -0.014 0.000 1.144 356 R CA 2.360 58.481 56.100 0.034 0.000 0.932 356 R CB -0.195 30.122 30.300 0.029 0.000 0.833 356 R HN 0.492 nan 8.270 nan 0.000 0.429 357 F N -0.744 119.344 119.950 0.229 0.000 2.637 357 F HA 0.210 4.737 4.527 -0.001 0.000 0.284 357 F C 0.689 176.529 175.800 0.068 0.000 1.105 357 F CA -0.270 57.823 58.000 0.155 0.000 1.356 357 F CB 0.496 39.578 39.000 0.137 0.000 1.096 357 F HN -0.075 nan 8.300 nan 0.000 0.616 358 R N -0.877 119.764 120.500 0.235 0.000 2.831 358 R HA 0.520 4.859 4.340 -0.001 0.000 0.266 358 R C -3.122 173.232 176.300 0.090 0.000 1.051 358 R CA -2.292 53.866 56.100 0.097 0.000 0.943 358 R CB -0.328 29.971 30.300 -0.003 0.000 1.228 358 R HN -0.372 nan 8.270 nan 0.000 0.467 359 P HA -0.036 nan 4.420 nan 0.000 0.262 359 P C -0.286 177.030 177.300 0.026 0.000 1.182 359 P CA 0.078 63.193 63.100 0.024 0.000 0.761 359 P CB 0.692 32.382 31.700 -0.016 0.000 0.795 360 S N 2.073 117.803 115.700 0.050 0.000 2.580 360 S HA 0.123 4.593 4.470 -0.001 0.000 0.266 360 S C 0.239 174.858 174.600 0.031 0.000 1.354 360 S CA -0.633 57.613 58.200 0.076 0.000 1.008 360 S CB 0.354 63.620 63.200 0.111 0.000 0.898 360 S HN 0.541 nan 8.310 nan 0.000 0.555 361 E N 1.444 121.680 120.200 0.061 0.000 2.249 361 E HA 0.399 4.749 4.350 -0.001 0.000 0.280 361 E C -2.817 173.785 176.600 0.003 0.000 1.016 361 E CA -2.499 53.898 56.400 -0.005 0.000 0.830 361 E CB 0.622 30.326 29.700 0.006 0.000 1.081 361 E HN 0.450 nan 8.360 nan 0.000 0.395 362 P HA 0.195 nan 4.420 nan 0.000 0.277 362 P C -0.684 176.558 177.300 -0.097 0.000 1.240 362 P CA -0.135 62.858 63.100 -0.179 0.000 0.798 362 P CB 0.674 31.917 31.700 -0.762 0.000 0.979 363 H N 1.633 120.735 119.070 0.053 0.000 2.539 363 H HA 0.316 4.872 4.556 -0.001 0.000 0.332 363 H C -0.464 174.991 175.328 0.212 0.000 1.031 363 H CA -0.360 55.795 56.048 0.179 0.000 1.206 363 H CB 0.671 30.559 29.762 0.209 0.000 1.446 363 H HN 0.321 nan 8.280 nan 0.000 0.496 364 F N 1.876 122.030 119.950 0.339 0.000 2.394 364 F HA 0.075 4.602 4.527 -0.001 0.000 0.340 364 F C 1.344 177.345 175.800 0.334 0.000 1.105 364 F CA -0.639 57.559 58.000 0.329 0.000 1.124 364 F CB 1.299 40.421 39.000 0.202 0.000 1.145 364 F HN 0.427 nan 8.300 nan 0.000 0.505 365 T N 1.274 116.143 114.554 0.524 0.000 2.903 365 T HA 0.028 4.378 4.350 -0.001 0.000 0.314 365 T C 1.193 176.096 174.700 0.339 0.000 1.078 365 T CA -0.762 61.583 62.100 0.407 0.000 1.114 365 T CB 0.734 69.828 68.868 0.376 0.000 0.987 365 T HN 0.623 nan 8.240 nan 0.000 0.548 366 L N 1.711 123.085 121.223 0.252 0.000 2.021 366 L HA -0.160 4.179 4.340 -0.001 0.000 0.215 366 L C 2.178 179.159 176.870 0.185 0.000 1.074 366 L CA 2.627 57.587 54.840 0.200 0.000 0.760 366 L CB -1.160 40.992 42.059 0.153 0.000 0.889 366 L HN 0.966 nan 8.230 nan 0.000 0.433 367 D N -1.132 119.376 120.400 0.180 0.000 2.371 367 D HA 0.021 4.660 4.640 -0.001 0.000 0.221 367 D C 1.655 178.057 176.300 0.170 0.000 0.986 367 D CA 0.841 54.934 54.000 0.155 0.000 0.899 367 D CB -0.703 40.178 40.800 0.135 0.000 0.902 367 D HN 0.533 nan 8.370 nan 0.000 0.530 368 G N 0.427 109.367 108.800 0.232 0.000 2.153 368 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.252 368 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.252 368 G C 0.679 175.766 174.900 0.311 0.000 0.994 368 G CA 0.484 45.736 45.100 0.255 0.000 0.698 368 G HN 0.523 nan 8.290 nan 0.000 0.521 369 N N -0.245 118.618 118.700 0.271 0.000 2.353 369 N HA 0.319 5.059 4.740 -0.001 0.000 0.185 369 N C 0.822 176.456 175.510 0.207 0.000 1.098 369 N CA 0.598 53.779 53.050 0.218 0.000 0.872 369 N CB 0.353 38.924 38.487 0.141 0.000 0.970 369 N HN 0.656 nan 8.380 nan 0.000 0.467 370 S N -0.222 115.634 115.700 0.260 0.000 2.638 370 S HA 0.733 5.202 4.470 -0.001 0.000 0.274 370 S C -1.202 173.500 174.600 0.169 0.000 1.157 370 S CA -1.042 57.199 58.200 0.069 0.000 0.826 370 S CB 1.537 64.664 63.200 -0.123 0.000 1.139 370 S HN 0.167 nan 8.310 nan 0.000 0.474 371 F N -1.967 117.820 119.950 -0.272 0.000 2.713 371 F HA 0.827 5.354 4.527 -0.001 0.000 0.311 371 F C -2.466 173.162 175.800 -0.287 0.000 1.141 371 F CA -1.501 56.277 58.000 -0.370 0.000 0.939 371 F CB 0.676 39.021 39.000 -1.091 0.000 1.325 371 F HN 0.601 nan 8.300 nan 0.000 0.453 372 Y N 1.020 121.475 120.300 0.258 0.000 2.391 372 Y HA 0.669 5.219 4.550 -0.001 0.000 0.341 372 Y C -0.801 175.266 175.900 0.278 0.000 0.965 372 Y CA -1.053 57.191 58.100 0.239 0.000 1.067 372 Y CB 2.258 40.806 38.460 0.147 0.000 1.199 372 Y HN 0.668 nan 8.280 nan 0.000 0.450 373 K N 1.820 122.463 120.400 0.405 0.000 2.502 373 K HA 0.695 5.015 4.320 -0.001 0.000 0.257 373 K C -1.481 175.268 176.600 0.248 0.000 0.938 373 K CA -0.826 55.639 56.287 0.297 0.000 0.819 373 K CB 2.179 34.789 32.500 0.184 0.000 1.333 373 K HN 0.529 nan 8.250 nan 0.000 0.434 374 I N 3.877 124.561 120.570 0.190 0.000 2.505 374 I HA 0.168 4.338 4.170 -0.001 0.000 0.287 374 I C 0.305 176.518 176.117 0.160 0.000 1.104 374 I CA -0.232 61.160 61.300 0.152 0.000 1.387 374 I CB -0.235 37.832 38.000 0.112 0.000 1.404 374 I HN 0.606 nan 8.210 nan 0.000 0.528 375 I N 1.866 122.560 120.570 0.207 0.000 3.108 375 I HA 0.522 4.692 4.170 -0.001 0.000 0.312 375 I C -0.061 176.176 176.117 0.200 0.000 1.095 375 I CA -0.832 60.584 61.300 0.195 0.000 1.000 375 I CB 2.066 40.196 38.000 0.217 0.000 1.229 375 I HN 0.301 nan 8.210 nan 0.000 0.454 376 S N 2.359 118.123 115.700 0.108 0.000 2.533 376 S HA 0.176 4.646 4.470 -0.001 0.000 0.282 376 S C 0.219 174.847 174.600 0.047 0.000 1.304 376 S CA -0.214 57.996 58.200 0.016 0.000 1.063 376 S CB -0.350 62.816 63.200 -0.055 0.000 0.881 376 S HN 0.663 nan 8.310 nan 0.000 0.493 377 N N 2.088 120.714 118.700 -0.124 0.000 2.235 377 N HA 0.036 4.775 4.740 -0.001 0.000 0.231 377 N C 1.126 176.536 175.510 -0.166 0.000 1.330 377 N CA -0.049 52.801 53.050 -0.333 0.000 0.898 377 N CB 0.253 38.570 38.487 -0.283 0.000 1.151 377 N HN 0.708 nan 8.380 nan 0.000 0.472 378 E N 0.294 120.381 120.200 -0.188 0.000 2.152 378 E HA -0.045 4.305 4.350 -0.001 0.000 0.192 378 E C 0.623 177.171 176.600 -0.086 0.000 0.983 378 E CA 1.120 57.465 56.400 -0.092 0.000 0.818 378 E CB 0.075 29.732 29.700 -0.072 0.000 0.758 378 E HN 0.508 nan 8.360 nan 0.000 0.467 379 E N -1.101 119.046 120.200 -0.087 0.000 2.502 379 E HA 0.020 4.369 4.350 -0.001 0.000 0.194 379 E C 0.630 177.198 176.600 -0.054 0.000 1.062 379 E CA 0.468 56.863 56.400 -0.008 0.000 0.867 379 E CB 0.131 29.878 29.700 0.077 0.000 0.888 379 E HN 0.426 nan 8.360 nan 0.000 0.510 380 G N 0.870 109.582 108.800 -0.146 0.000 2.179 380 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.260 380 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.260 380 G C -0.117 174.526 174.900 -0.428 0.000 0.977 380 G CA 0.179 45.098 45.100 -0.303 0.000 0.641 380 G HN 0.252 nan 8.290 nan 0.000 0.533 381 Y N 0.548 120.713 120.300 -0.225 0.000 2.299 381 Y HA 0.607 5.156 4.550 -0.001 0.000 0.326 381 Y C 1.312 177.051 175.900 -0.268 0.000 1.164 381 Y CA -0.561 57.390 58.100 -0.248 0.000 1.234 381 Y CB 0.759 39.084 38.460 -0.224 0.000 1.219 381 Y HN 0.076 nan 8.280 nan 0.000 0.497 382 R N 3.537 123.901 120.500 -0.228 0.000 2.234 382 R HA 0.304 4.643 4.340 -0.001 0.000 0.324 382 R C -0.821 175.189 176.300 -0.482 0.000 1.054 382 R CA -0.170 55.795 56.100 -0.225 0.000 0.912 382 R CB 0.234 30.451 30.300 -0.137 0.000 1.030 382 R HN 0.685 nan 8.270 nan 0.000 0.455 383 H N 1.843 120.862 119.070 -0.085 0.000 2.977 383 H HA 0.331 4.886 4.556 -0.001 0.000 0.350 383 H C -0.264 175.111 175.328 0.078 0.000 1.238 383 H CA -0.874 55.102 56.048 -0.118 0.000 1.124 383 H CB 1.587 31.171 29.762 -0.297 0.000 1.866 383 H HN 0.327 nan 8.280 nan 0.000 0.550 384 I N 1.161 121.810 120.570 0.133 0.000 2.441 384 I HA 0.077 4.247 4.170 -0.001 0.000 0.287 384 I C 0.356 176.541 176.117 0.113 0.000 1.049 384 I CA 0.075 61.429 61.300 0.091 0.000 1.381 384 I CB 0.467 38.432 38.000 -0.059 0.000 1.409 384 I HN 0.139 nan 8.210 nan 0.000 0.523 385 c N 6.815 125.435 118.600 0.032 0.000 2.417 385 c HA 0.461 5.031 4.570 -0.001 0.000 0.324 385 c C -0.523 173.441 174.090 -0.210 0.000 1.240 385 c CA -0.482 55.650 56.329 -0.328 0.000 1.632 385 c CB 1.034 43.112 42.510 -0.720 0.000 2.241 385 c HN 0.648 nan 8.230 nan 0.000 0.499 386 Y N 4.338 124.300 120.300 -0.563 0.000 2.328 386 Y HA 0.697 5.246 4.550 -0.001 0.000 0.337 386 Y C -1.161 174.273 175.900 -0.777 0.000 1.008 386 Y CA -1.031 56.688 58.100 -0.635 0.000 1.129 386 Y CB 0.420 38.591 38.460 -0.481 0.000 1.185 386 Y HN 0.607 nan 8.280 nan 0.000 0.476 387 F N 4.323 123.520 119.950 -1.255 0.000 2.495 387 F HA 0.440 4.966 4.527 -0.001 0.000 0.327 387 F C -0.236 174.839 175.800 -1.209 0.000 1.103 387 F CA -0.961 56.266 58.000 -1.289 0.000 0.949 387 F CB 1.631 39.437 39.000 -1.989 0.000 1.142 387 F HN 0.325 nan 8.300 nan 0.000 0.457 388 Q N 3.613 123.064 119.800 -0.582 0.000 2.259 388 Q HA 0.285 4.624 4.340 -0.001 0.000 0.249 388 Q C 1.408 177.383 176.000 -0.041 0.000 0.914 388 Q CA -0.248 55.369 55.803 -0.310 0.000 0.904 388 Q CB 1.666 30.279 28.738 -0.208 0.000 1.213 388 Q HN 0.892 nan 8.270 nan 0.000 0.428 389 I N -1.043 119.592 120.570 0.109 0.000 2.454 389 I HA -0.195 3.975 4.170 -0.001 0.000 0.254 389 I C 0.715 177.053 176.117 0.368 0.000 1.156 389 I CA 1.555 63.066 61.300 0.352 0.000 1.433 389 I CB -0.179 38.038 38.000 0.361 0.000 1.082 389 I HN 0.385 nan 8.210 nan 0.000 0.432 390 D N 0.143 120.649 120.400 0.177 0.000 2.440 390 D HA 0.198 4.837 4.640 -0.001 0.000 0.216 390 D C 0.023 176.343 176.300 0.033 0.000 1.150 390 D CA -0.242 53.808 54.000 0.085 0.000 0.832 390 D CB 0.110 40.939 40.800 0.048 0.000 0.992 390 D HN 0.281 nan 8.370 nan 0.000 0.502 391 K N 0.109 120.551 120.400 0.070 0.000 2.259 391 K HA 0.351 4.670 4.320 -0.001 0.000 0.252 391 K C 0.726 177.363 176.600 0.062 0.000 0.936 391 K CA -0.716 55.579 56.287 0.013 0.000 0.810 391 K CB 2.105 34.579 32.500 -0.044 0.000 1.143 391 K HN -0.183 nan 8.250 nan 0.000 0.427 392 K N -0.534 119.862 120.400 -0.007 0.000 2.305 392 K HA 0.113 4.433 4.320 -0.001 0.000 0.199 392 K C -0.229 176.376 176.600 0.007 0.000 1.047 392 K CA 0.747 57.047 56.287 0.022 0.000 0.976 392 K CB 0.219 32.699 32.500 -0.034 0.000 0.765 392 K HN 0.291 nan 8.250 nan 0.000 0.474 393 D N 1.488 121.833 120.400 -0.091 0.000 2.249 393 D HA 0.116 4.756 4.640 -0.001 0.000 0.246 393 D C -0.103 175.961 176.300 -0.394 0.000 1.114 393 D CA -0.541 53.342 54.000 -0.197 0.000 0.854 393 D CB 1.207 41.915 40.800 -0.153 0.000 1.132 393 D HN 0.394 nan 8.370 nan 0.000 0.461 394 c N 0.887 119.087 118.600 -0.667 0.000 2.335 394 c HA 0.800 5.369 4.570 -0.001 0.000 0.363 394 c C 0.319 173.983 174.090 -0.709 0.000 1.198 394 c CA -0.574 55.132 56.329 -1.038 0.000 2.279 394 c CB 0.976 42.213 42.510 -2.121 0.000 2.334 394 c HN 0.469 nan 8.230 nan 0.000 0.559 395 T N 2.096 116.294 114.554 -0.593 0.000 2.786 395 T HA 0.468 4.818 4.350 -0.001 0.000 0.283 395 T C -0.635 173.855 174.700 -0.348 0.000 0.992 395 T CA 0.120 62.024 62.100 -0.326 0.000 0.954 395 T CB 0.337 69.162 68.868 -0.072 0.000 0.934 395 T HN 0.488 nan 8.240 nan 0.000 0.440 396 F N 3.288 123.127 119.950 -0.185 0.000 2.538 396 F HA 0.224 4.750 4.527 -0.001 0.000 0.371 396 F C 1.644 177.292 175.800 -0.253 0.000 1.087 396 F CA -0.736 57.142 58.000 -0.203 0.000 1.250 396 F CB 0.339 39.220 39.000 -0.198 0.000 1.110 396 F HN 0.583 nan 8.300 nan 0.000 0.570 397 I N -0.854 119.615 120.570 -0.168 0.000 4.035 397 I HA 0.220 4.390 4.170 -0.001 0.000 0.321 397 I C 0.307 176.254 176.117 -0.283 0.000 1.289 397 I CA 0.134 61.119 61.300 -0.525 0.000 1.236 397 I CB 0.185 37.604 38.000 -0.968 0.000 1.076 397 I HN 0.491 nan 8.210 nan 0.000 0.418 398 T N 0.343 114.792 114.554 -0.176 0.000 2.916 398 T HA 0.723 5.072 4.350 -0.001 0.000 0.292 398 T C -0.678 173.674 174.700 -0.580 0.000 1.055 398 T CA -0.706 61.281 62.100 -0.188 0.000 1.009 398 T CB 2.571 71.418 68.868 -0.035 0.000 1.118 398 T HN 0.485 nan 8.240 nan 0.000 0.497 399 K N -0.391 119.508 120.400 -0.836 0.000 2.607 399 K HA 0.782 5.102 4.320 -0.001 0.000 0.287 399 K C -0.418 175.555 176.600 -1.044 0.000 0.996 399 K CA -0.912 54.606 56.287 -1.283 0.000 0.876 399 K CB 1.392 33.508 32.500 -0.640 0.000 1.496 399 K HN 1.558 nan 8.250 nan 0.000 0.415 400 G N -0.034 108.173 108.800 -0.989 0.000 2.353 400 G HA2 0.059 4.019 3.960 -0.001 0.000 0.424 400 G HA3 0.059 4.019 3.960 -0.001 0.000 0.424 400 G C -0.652 173.702 174.900 -0.911 0.000 1.320 400 G CA -0.379 44.313 45.100 -0.680 0.000 0.995 400 G HN 1.078 nan 8.290 nan 0.000 0.580 401 T N -0.555 113.589 114.554 -0.682 0.000 4.058 401 T HA 0.555 4.905 4.350 -0.001 0.000 0.252 401 T C 0.236 174.741 174.700 -0.324 0.000 1.264 401 T CA 0.647 62.163 62.100 -0.972 0.000 1.094 401 T CB -0.979 67.553 68.868 -0.561 0.000 1.316 401 T HN 1.545 nan 8.240 nan 0.000 0.872 402 W N -0.258 120.907 121.300 -0.225 0.000 2.937 402 W HA 0.635 5.295 4.660 -0.001 0.000 0.360 402 W C -1.533 174.960 176.519 -0.042 0.000 1.215 402 W CA -0.997 56.333 57.345 -0.026 0.000 1.183 402 W CB 0.632 30.063 29.460 -0.048 0.000 1.458 402 W HN 0.189 nan 8.180 nan 0.000 0.574 403 E N 0.799 121.155 120.200 0.261 0.000 2.317 403 E HA 0.423 4.773 4.350 -0.001 0.000 0.270 403 E C -1.082 175.626 176.600 0.179 0.000 0.885 403 E CA -1.205 55.145 56.400 -0.084 0.000 0.760 403 E CB 3.308 32.996 29.700 -0.020 0.000 1.227 403 E HN 0.167 nan 8.360 nan 0.000 0.434 404 V N 3.921 123.812 119.914 -0.037 0.000 2.446 404 V HA -0.036 4.084 4.120 -0.001 0.000 0.276 404 V C 1.346 177.525 176.094 0.141 0.000 1.030 404 V CA 0.124 62.497 62.300 0.123 0.000 1.033 404 V CB 0.046 31.843 31.823 -0.043 0.000 0.993 404 V HN 0.693 nan 8.190 nan 0.000 0.477 405 I N 3.523 124.204 120.570 0.186 0.000 2.235 405 I HA 0.177 4.346 4.170 -0.001 0.000 0.241 405 I C 1.186 177.419 176.117 0.194 0.000 1.085 405 I CA 1.358 62.763 61.300 0.175 0.000 1.378 405 I CB -0.846 37.193 38.000 0.065 0.000 1.076 405 I HN 0.734 nan 8.210 nan 0.000 0.415 406 G N 0.493 109.410 108.800 0.195 0.000 2.720 406 G HA2 0.574 4.533 3.960 -0.001 0.000 0.295 406 G HA3 0.574 4.533 3.960 -0.001 0.000 0.295 406 G C -1.150 173.856 174.900 0.178 0.000 1.437 406 G CA -0.530 44.686 45.100 0.194 0.000 0.886 406 G HN -0.022 nan 8.290 nan 0.000 0.509 407 I N 1.567 122.190 120.570 0.089 0.000 2.371 407 I HA 0.234 4.403 4.170 -0.001 0.000 0.290 407 I C 0.622 176.694 176.117 -0.075 0.000 1.028 407 I CA -0.450 60.792 61.300 -0.098 0.000 1.345 407 I CB 1.688 39.386 38.000 -0.503 0.000 1.407 407 I HN 0.512 nan 8.210 nan 0.000 0.501 408 E N 4.752 124.971 120.200 0.032 0.000 2.330 408 E HA 0.349 4.698 4.350 -0.001 0.000 0.200 408 E C 0.100 176.715 176.600 0.026 0.000 0.922 408 E CA 0.231 56.722 56.400 0.151 0.000 0.935 408 E CB 1.002 30.885 29.700 0.305 0.000 0.917 408 E HN 0.697 nan 8.360 nan 0.000 0.491 409 A N 0.541 123.270 122.820 -0.152 0.000 2.608 409 A HA 0.619 4.938 4.320 -0.001 0.000 0.292 409 A C -2.037 175.493 177.584 -0.090 0.000 1.066 409 A CA -0.616 51.255 52.037 -0.277 0.000 0.676 409 A CB 1.270 19.642 19.000 -1.048 0.000 1.277 409 A HN 0.032 nan 8.150 nan 0.000 0.413 410 L N 1.227 122.430 121.223 -0.033 0.000 2.476 410 L HA 0.760 5.099 4.340 -0.001 0.000 0.269 410 L C 0.225 177.126 176.870 0.052 0.000 0.965 410 L CA 0.496 55.344 54.840 0.014 0.000 0.845 410 L CB 1.977 44.071 42.059 0.058 0.000 1.259 410 L HN 1.213 nan 8.230 nan 0.000 0.403 411 T N -0.281 114.319 114.554 0.076 0.000 2.870 411 T HA 0.421 4.771 4.350 -0.001 0.000 0.277 411 T C 1.119 175.859 174.700 0.067 0.000 1.000 411 T CA 0.099 62.253 62.100 0.089 0.000 0.982 411 T CB 1.083 70.036 68.868 0.142 0.000 1.249 411 T HN 0.626 nan 8.240 nan 0.000 0.589 412 S N -0.421 115.317 115.700 0.063 0.000 2.423 412 S HA -0.077 4.393 4.470 -0.001 0.000 0.231 412 S C 1.006 175.592 174.600 -0.024 0.000 1.014 412 S CA 1.025 59.249 58.200 0.040 0.000 0.965 412 S CB -0.528 62.698 63.200 0.043 0.000 0.785 412 S HN 0.705 nan 8.310 nan 0.000 0.495 413 D N -0.707 119.660 120.400 -0.054 0.000 2.388 413 D HA 0.276 4.915 4.640 -0.001 0.000 0.208 413 D C -0.518 175.457 176.300 -0.542 0.000 1.035 413 D CA 0.488 54.329 54.000 -0.265 0.000 0.875 413 D CB 0.337 40.995 40.800 -0.237 0.000 0.984 413 D HN 0.431 nan 8.370 nan 0.000 0.508 414 Y N -0.022 120.200 120.300 -0.130 0.000 2.545 414 Y HA 0.402 4.952 4.550 -0.001 0.000 0.348 414 Y C -0.542 175.155 175.900 -0.338 0.000 1.002 414 Y CA -1.223 56.703 58.100 -0.291 0.000 1.039 414 Y CB 2.352 40.508 38.460 -0.507 0.000 1.271 414 Y HN -0.262 nan 8.280 nan 0.000 0.467 415 L N 3.216 124.302 121.223 -0.227 0.000 2.333 415 L HA 0.536 4.876 4.340 -0.001 0.000 0.280 415 L C -1.970 174.757 176.870 -0.237 0.000 1.004 415 L CA -1.105 53.579 54.840 -0.260 0.000 0.820 415 L CB 0.476 42.293 42.059 -0.404 0.000 1.247 415 L HN 0.612 nan 8.230 nan 0.000 0.416 416 Y N 5.872 126.110 120.300 -0.103 0.000 2.360 416 Y HA 0.599 5.149 4.550 -0.001 0.000 0.337 416 Y C -0.185 175.736 175.900 0.034 0.000 1.039 416 Y CA -0.264 57.781 58.100 -0.092 0.000 1.109 416 Y CB 1.489 39.812 38.460 -0.230 0.000 1.201 416 Y HN 0.607 nan 8.280 nan 0.000 0.458 417 Y N 0.112 120.480 120.300 0.114 0.000 2.655 417 Y HA 0.802 5.352 4.550 -0.001 0.000 0.336 417 Y C -1.820 174.156 175.900 0.126 0.000 1.154 417 Y CA -1.951 56.199 58.100 0.083 0.000 1.055 417 Y CB 1.196 39.675 38.460 0.031 0.000 1.295 417 Y HN 0.383 nan 8.280 nan 0.000 0.465 418 I N 2.930 123.670 120.570 0.283 0.000 2.441 418 I HA 0.645 4.814 4.170 -0.001 0.000 0.295 418 I C -0.503 175.777 176.117 0.272 0.000 0.994 418 I CA -0.609 60.795 61.300 0.174 0.000 1.144 418 I CB 2.072 40.133 38.000 0.102 0.000 1.314 418 I HN 0.880 nan 8.210 nan 0.000 0.445 419 S N 3.155 118.963 115.700 0.179 0.000 2.638 419 S HA 0.389 4.858 4.470 -0.001 0.000 0.274 419 S C -0.547 174.074 174.600 0.035 0.000 1.157 419 S CA -0.884 57.407 58.200 0.152 0.000 0.826 419 S CB 1.807 65.091 63.200 0.140 0.000 1.139 419 S HN 0.658 nan 8.310 nan 0.000 0.474 420 N N -0.254 118.473 118.700 0.045 0.000 2.376 420 N HA 0.156 4.895 4.740 -0.001 0.000 0.249 420 N C 0.576 176.047 175.510 -0.063 0.000 1.140 420 N CA -0.330 52.709 53.050 -0.018 0.000 0.870 420 N CB 0.263 38.727 38.487 -0.039 0.000 1.124 420 N HN 0.797 nan 8.380 nan 0.000 0.505 421 E N -0.066 119.940 120.200 -0.324 0.000 2.051 421 E HA -0.220 4.130 4.350 -0.001 0.000 0.192 421 E C -0.350 176.110 176.600 -0.233 0.000 0.991 421 E CA 0.475 56.452 56.400 -0.706 0.000 0.799 421 E CB -0.081 28.621 29.700 -1.664 0.000 0.748 421 E HN 0.429 nan 8.360 nan 0.000 0.449 422 Y N 1.619 121.829 120.300 -0.150 0.000 2.802 422 Y HA -0.112 4.438 4.550 -0.001 0.000 0.333 422 Y C 0.492 176.357 175.900 -0.057 0.000 1.244 422 Y CA 0.819 58.882 58.100 -0.061 0.000 1.558 422 Y CB 0.018 38.467 38.460 -0.018 0.000 1.233 422 Y HN 0.115 nan 8.280 nan 0.000 0.547 423 K N 3.299 123.465 120.400 -0.390 0.000 3.547 423 K HA -0.202 4.118 4.320 -0.001 0.000 0.309 423 K C 0.777 177.305 176.600 -0.119 0.000 1.324 423 K CA 1.222 57.301 56.287 -0.346 0.000 0.988 423 K CB -1.568 30.660 32.500 -0.452 0.000 1.261 423 K HN 1.358 nan 8.250 nan 0.000 0.444 424 G N 0.528 109.279 108.800 -0.082 0.000 2.203 424 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.263 424 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.263 424 G C -0.002 174.885 174.900 -0.020 0.000 1.012 424 G CA 0.818 45.913 45.100 -0.007 0.000 0.749 424 G HN 0.430 nan 8.290 nan 0.000 0.512 425 M N -1.503 118.003 119.600 -0.157 0.000 2.061 425 M HA 0.502 4.981 4.480 -0.001 0.000 0.346 425 M C -2.015 174.002 176.300 -0.471 0.000 1.112 425 M CA -2.263 52.736 55.300 -0.501 0.000 1.021 425 M CB 1.840 34.144 32.600 -0.494 0.000 1.530 425 M HN -0.135 nan 8.290 nan 0.000 0.437 426 P HA 0.038 nan 4.420 nan 0.000 0.230 426 P C 1.119 178.256 177.300 -0.272 0.000 1.158 426 P CA 0.938 63.846 63.100 -0.320 0.000 0.769 426 P CB 0.148 31.669 31.700 -0.298 0.000 0.807 427 G N -0.979 107.598 108.800 -0.372 0.000 3.605 427 G HA2 0.397 4.356 3.960 -0.001 0.000 0.277 427 G HA3 0.397 4.356 3.960 -0.001 0.000 0.277 427 G C 0.412 175.292 174.900 -0.034 0.000 1.093 427 G CA -0.093 44.914 45.100 -0.155 0.000 0.821 427 G HN 0.352 nan 8.290 nan 0.000 0.532 428 G N 0.015 108.740 108.800 -0.124 0.000 2.473 428 G HA2 0.669 4.628 3.960 -0.001 0.000 0.321 428 G HA3 0.669 4.628 3.960 -0.001 0.000 0.321 428 G C -0.917 173.839 174.900 -0.240 0.000 1.200 428 G CA -0.814 44.239 45.100 -0.079 0.000 0.963 428 G HN 0.100 nan 8.290 nan 0.000 0.483 429 R N 1.190 121.495 120.500 -0.324 0.000 2.575 429 R HA 0.479 4.818 4.340 -0.001 0.000 0.293 429 R C -1.288 174.995 176.300 -0.029 0.000 0.983 429 R CA -0.864 55.051 56.100 -0.308 0.000 0.887 429 R CB 2.201 32.096 30.300 -0.675 0.000 1.184 429 R HN 0.569 nan 8.270 nan 0.000 0.445 430 N N 1.518 120.221 118.700 0.004 0.000 2.329 430 N HA 0.308 5.047 4.740 -0.001 0.000 0.282 430 N C -1.344 174.069 175.510 -0.162 0.000 1.198 430 N CA -0.815 52.169 53.050 -0.111 0.000 0.790 430 N CB 2.708 41.050 38.487 -0.242 0.000 1.579 430 N HN 0.254 nan 8.380 nan 0.000 0.475 431 L N 2.314 123.294 121.223 -0.405 0.000 2.290 431 L HA 0.446 4.786 4.340 -0.001 0.000 0.284 431 L C -1.335 175.199 176.870 -0.560 0.000 1.078 431 L CA 0.096 54.719 54.840 -0.362 0.000 0.815 431 L CB -0.178 41.652 42.059 -0.382 0.000 1.162 431 L HN 0.403 nan 8.230 nan 0.000 0.435 432 Y N 3.641 123.593 120.300 -0.580 0.000 2.562 432 Y HA 0.611 5.161 4.550 -0.001 0.000 0.343 432 Y C -0.284 175.284 175.900 -0.553 0.000 1.025 432 Y CA -0.879 56.837 58.100 -0.641 0.000 1.082 432 Y CB 1.650 39.531 38.460 -0.965 0.000 1.264 432 Y HN 0.558 nan 8.280 nan 0.000 0.478 433 K N 1.901 122.152 120.400 -0.249 0.000 2.395 433 K HA 0.843 5.162 4.320 -0.001 0.000 0.247 433 K C -1.802 174.783 176.600 -0.025 0.000 0.973 433 K CA -0.835 55.267 56.287 -0.309 0.000 0.828 433 K CB 3.028 35.106 32.500 -0.704 0.000 1.272 433 K HN 0.760 nan 8.250 nan 0.000 0.439 434 I N 0.795 121.418 120.570 0.089 0.000 2.582 434 I HA 0.181 4.351 4.170 -0.001 0.000 0.292 434 I C -1.189 175.022 176.117 0.156 0.000 1.066 434 I CA -0.745 60.663 61.300 0.182 0.000 1.053 434 I CB 2.385 40.505 38.000 0.201 0.000 1.241 434 I HN 0.824 nan 8.210 nan 0.000 0.421 435 Q N 5.270 125.121 119.800 0.085 0.000 2.295 435 Q HA 0.172 4.511 4.340 -0.001 0.000 0.259 435 Q C 0.122 176.040 176.000 -0.135 0.000 0.976 435 Q CA -0.652 55.010 55.803 -0.235 0.000 0.923 435 Q CB 1.366 30.003 28.738 -0.169 0.000 1.185 435 Q HN 0.747 nan 8.270 nan 0.000 0.410 436 L N 2.884 123.964 121.223 -0.239 0.000 2.083 436 L HA -0.167 4.172 4.340 -0.001 0.000 0.209 436 L C 2.113 178.883 176.870 -0.167 0.000 1.083 436 L CA 1.481 56.269 54.840 -0.087 0.000 0.752 436 L CB -1.090 40.893 42.059 -0.127 0.000 0.899 436 L HN 0.633 nan 8.230 nan 0.000 0.433 437 S N -1.201 114.365 115.700 -0.224 0.000 2.400 437 S HA -0.140 4.330 4.470 -0.001 0.000 0.232 437 S C 0.649 175.069 174.600 -0.300 0.000 1.025 437 S CA 1.302 59.364 58.200 -0.229 0.000 0.993 437 S CB -0.173 62.916 63.200 -0.185 0.000 0.808 437 S HN 0.517 nan 8.310 nan 0.000 0.478 438 D N -1.192 119.037 120.400 -0.286 0.000 2.333 438 D HA 0.176 4.816 4.640 -0.001 0.000 0.225 438 D C -0.306 175.945 176.300 -0.081 0.000 1.345 438 D CA -0.496 53.353 54.000 -0.251 0.000 0.971 438 D CB -0.071 40.647 40.800 -0.136 0.000 1.451 438 D HN -0.100 nan 8.370 nan 0.000 0.561 439 Y N 1.627 121.906 120.300 -0.035 0.000 2.421 439 Y HA -0.053 4.497 4.550 -0.001 0.000 0.292 439 Y C 2.485 178.390 175.900 0.009 0.000 1.136 439 Y CA 0.879 58.970 58.100 -0.015 0.000 1.255 439 Y CB -0.830 37.621 38.460 -0.015 0.000 0.991 439 Y HN 0.381 nan 8.280 nan 0.000 0.552 440 T N 0.169 114.805 114.554 0.136 0.000 2.778 440 T HA -0.160 4.189 4.350 -0.001 0.000 0.269 440 T C 0.785 175.535 174.700 0.084 0.000 1.050 440 T CA 1.169 63.320 62.100 0.085 0.000 1.137 440 T CB -0.261 68.630 68.868 0.038 0.000 0.860 440 T HN 0.198 nan 8.240 nan 0.000 0.468 441 K N 1.984 122.434 120.400 0.084 0.000 2.244 441 K HA 0.418 4.737 4.320 -0.001 0.000 0.263 441 K C -0.874 175.798 176.600 0.120 0.000 1.103 441 K CA -0.239 56.099 56.287 0.084 0.000 0.966 441 K CB 1.399 33.937 32.500 0.063 0.000 1.429 441 K HN 0.079 nan 8.250 nan 0.000 0.434 442 V N 1.689 121.675 119.914 0.121 0.000 2.540 442 V HA 0.464 4.584 4.120 -0.001 0.000 0.302 442 V C -0.856 175.298 176.094 0.099 0.000 1.035 442 V CA -0.139 62.246 62.300 0.142 0.000 0.873 442 V CB 1.987 33.932 31.823 0.204 0.000 0.992 442 V HN 0.567 nan 8.190 nan 0.000 0.428 443 T N 6.268 120.847 114.554 0.042 0.000 2.786 443 T HA 0.322 4.672 4.350 -0.001 0.000 0.283 443 T C -0.391 174.192 174.700 -0.195 0.000 0.992 443 T CA -0.212 61.851 62.100 -0.062 0.000 0.954 443 T CB 0.919 69.725 68.868 -0.104 0.000 0.934 443 T HN 1.005 nan 8.240 nan 0.000 0.440 444 C N 4.893 123.988 119.300 -0.342 0.000 2.585 444 C HA 0.409 4.868 4.460 -0.001 0.000 0.406 444 C C 1.558 176.195 174.990 -0.588 0.000 1.312 444 C CA -0.421 58.108 59.018 -0.815 0.000 1.924 444 C CB -1.469 25.673 27.740 -0.997 0.000 2.578 444 C HN 0.981 nan 8.230 nan 0.000 0.580 445 L N 4.513 125.354 121.223 -0.637 0.000 2.638 445 L HA 0.132 4.472 4.340 -0.001 0.000 0.232 445 L C 2.005 178.559 176.870 -0.527 0.000 1.099 445 L CA 0.692 55.257 54.840 -0.458 0.000 0.883 445 L CB -0.097 41.734 42.059 -0.381 0.000 1.136 445 L HN 0.893 nan 8.230 nan 0.000 0.492 446 S N -3.091 112.177 115.700 -0.720 0.000 2.628 446 S HA -0.013 4.456 4.470 -0.001 0.000 0.246 446 S C 1.721 175.900 174.600 -0.701 0.000 1.062 446 S CA -0.117 57.538 58.200 -0.909 0.000 1.028 446 S CB -0.244 61.981 63.200 -1.625 0.000 0.985 446 S HN 0.277 nan 8.310 nan 0.000 0.551 447 C N 1.978 120.849 119.300 -0.715 0.000 2.413 447 C HA 0.075 4.535 4.460 -0.001 0.000 0.277 447 C C 2.492 177.187 174.990 -0.492 0.000 1.265 447 C CA 1.264 59.792 59.018 -0.817 0.000 1.752 447 C CB -1.008 25.850 27.740 -1.471 0.000 1.998 447 C HN 0.582 nan 8.230 nan 0.000 0.489 448 E N -0.110 119.871 120.200 -0.364 0.000 2.476 448 E HA 0.198 4.548 4.350 -0.001 0.000 0.199 448 E C 1.966 178.511 176.600 -0.091 0.000 1.021 448 E CA -0.018 56.274 56.400 -0.180 0.000 0.907 448 E CB -0.264 29.336 29.700 -0.166 0.000 0.974 448 E HN 0.543 nan 8.360 nan 0.000 0.489 449 L N 0.331 121.496 121.223 -0.098 0.000 2.079 449 L HA -0.092 4.248 4.340 -0.001 0.000 0.210 449 L C 0.847 177.732 176.870 0.024 0.000 1.081 449 L CA 1.016 55.842 54.840 -0.024 0.000 0.752 449 L CB -0.014 42.041 42.059 -0.007 0.000 0.896 449 L HN 0.102 nan 8.230 nan 0.000 0.433 450 N N -1.571 117.160 118.700 0.053 0.000 3.029 450 N HA 0.062 4.801 4.740 -0.001 0.000 0.198 450 N C -2.209 173.339 175.510 0.063 0.000 1.444 450 N CA -0.677 52.401 53.050 0.046 0.000 0.784 450 N CB 0.714 39.220 38.487 0.032 0.000 1.539 450 N HN -0.190 nan 8.380 nan 0.000 0.582 451 P HA -0.062 nan 4.420 nan 0.000 0.222 451 P C 0.645 177.997 177.300 0.088 0.000 1.147 451 P CA 1.123 64.293 63.100 0.117 0.000 0.790 451 P CB 0.661 32.452 31.700 0.150 0.000 0.780 452 E N -0.737 119.493 120.200 0.049 0.000 2.250 452 E HA -0.021 4.328 4.350 -0.001 0.000 0.192 452 E C 2.272 178.875 176.600 0.005 0.000 0.986 452 E CA 0.218 56.636 56.400 0.029 0.000 0.849 452 E CB 0.003 29.714 29.700 0.018 0.000 0.797 452 E HN 0.150 nan 8.360 nan 0.000 0.482 453 R N -0.408 120.085 120.500 -0.012 0.000 2.175 453 R HA 0.135 4.475 4.340 -0.001 0.000 0.202 453 R C -0.132 176.120 176.300 -0.081 0.000 1.018 453 R CA 0.486 56.552 56.100 -0.055 0.000 1.029 453 R CB 0.582 30.839 30.300 -0.072 0.000 0.959 453 R HN 0.027 nan 8.270 nan 0.000 0.480 454 c N 1.459 120.024 118.600 -0.059 0.000 2.437 454 c HA 0.391 4.960 4.570 -0.001 0.000 0.307 454 c C -0.128 173.932 174.090 -0.049 0.000 1.093 454 c CA -0.673 55.556 56.329 -0.166 0.000 1.463 454 c CB 1.078 43.459 42.510 -0.214 0.000 1.926 454 c HN 0.506 nan 8.230 nan 0.000 0.420 455 Q N 0.520 120.301 119.800 -0.032 0.000 2.139 455 Q HA 0.237 4.577 4.340 -0.001 0.000 0.219 455 Q C -0.895 175.176 176.000 0.118 0.000 0.805 455 Q CA 0.082 55.950 55.803 0.109 0.000 1.024 455 Q CB 1.246 30.057 28.738 0.123 0.000 1.163 455 Q HN 0.772 nan 8.270 nan 0.000 0.485 456 Y N 0.257 120.441 120.300 -0.193 0.000 2.307 456 Y HA 0.366 4.915 4.550 -0.001 0.000 0.323 456 Y C -1.736 174.001 175.900 -0.272 0.000 1.100 456 Y CA -1.111 56.909 58.100 -0.132 0.000 1.140 456 Y CB 1.000 39.396 38.460 -0.107 0.000 1.159 456 Y HN -0.058 nan 8.280 nan 0.000 0.436 457 Y N 2.363 122.629 120.300 -0.057 0.000 2.536 457 Y HA 0.688 5.237 4.550 -0.001 0.000 0.347 457 Y C 0.040 175.921 175.900 -0.032 0.000 1.000 457 Y CA -0.720 57.361 58.100 -0.032 0.000 1.051 457 Y CB 2.442 40.842 38.460 -0.100 0.000 1.259 457 Y HN 0.517 nan 8.280 nan 0.000 0.468 458 S N 0.699 116.513 115.700 0.190 0.000 2.667 458 S HA 0.889 5.358 4.470 -0.001 0.000 0.292 458 S C -1.681 172.990 174.600 0.118 0.000 1.126 458 S CA -0.726 57.560 58.200 0.143 0.000 0.881 458 S CB 1.898 65.198 63.200 0.166 0.000 1.132 458 S HN 0.609 nan 8.310 nan 0.000 0.492 459 V N 0.314 120.281 119.914 0.088 0.000 3.078 459 V HA 0.887 5.006 4.120 -0.001 0.000 0.311 459 V C -1.168 174.963 176.094 0.061 0.000 1.138 459 V CA -0.281 62.020 62.300 0.002 0.000 1.007 459 V CB 2.373 34.079 31.823 -0.194 0.000 1.045 459 V HN 1.203 nan 8.190 nan 0.000 0.432 460 S N 4.052 119.768 115.700 0.026 0.000 2.721 460 S HA 0.593 5.062 4.470 -0.001 0.000 0.264 460 S C -1.197 173.522 174.600 0.198 0.000 1.161 460 S CA -0.415 57.909 58.200 0.207 0.000 1.113 460 S CB 0.279 63.657 63.200 0.297 0.000 1.079 460 S HN 0.476 nan 8.310 nan 0.000 0.479 461 F N 3.332 123.359 119.950 0.128 0.000 2.389 461 F HA 0.406 4.932 4.527 -0.001 0.000 0.337 461 F C 1.524 176.953 175.800 -0.618 0.000 1.112 461 F CA -0.098 57.814 58.000 -0.146 0.000 1.192 461 F CB 1.249 40.138 39.000 -0.184 0.000 1.185 461 F HN 0.640 nan 8.300 nan 0.000 0.552 462 S N 2.372 117.437 115.700 -1.058 0.000 2.606 462 S HA 0.129 4.599 4.470 -0.001 0.000 0.257 462 S C 1.293 175.648 174.600 -0.408 0.000 1.327 462 S CA -0.849 56.527 58.200 -1.372 0.000 0.984 462 S CB 0.752 63.099 63.200 -1.422 0.000 0.941 462 S HN 0.537 nan 8.310 nan 0.000 0.576 463 K N 0.992 121.269 120.400 -0.204 0.000 2.052 463 K HA -0.119 4.200 4.320 -0.001 0.000 0.215 463 K C 1.177 177.748 176.600 -0.049 0.000 1.053 463 K CA 1.713 57.977 56.287 -0.039 0.000 0.934 463 K CB -0.566 31.950 32.500 0.026 0.000 0.717 463 K HN 0.699 nan 8.250 nan 0.000 0.450 464 E N -0.743 119.399 120.200 -0.097 0.000 2.496 464 E HA 0.244 4.594 4.350 -0.001 0.000 0.200 464 E C 0.098 176.636 176.600 -0.104 0.000 1.016 464 E CA 0.173 56.531 56.400 -0.069 0.000 0.962 464 E CB 0.404 30.074 29.700 -0.049 0.000 1.071 464 E HN 0.255 nan 8.360 nan 0.000 0.457 465 A N 1.215 123.954 122.820 -0.134 0.000 2.860 465 A HA -0.325 3.994 4.320 -0.001 0.000 0.267 465 A C 1.549 179.076 177.584 -0.095 0.000 1.421 465 A CA 1.579 53.548 52.037 -0.113 0.000 0.831 465 A CB -2.067 16.715 19.000 -0.363 0.000 1.041 465 A HN 0.282 nan 8.150 nan 0.000 0.623 466 K N -1.828 118.450 120.400 -0.202 0.000 2.148 466 K HA -0.010 4.309 4.320 -0.001 0.000 0.204 466 K C 0.087 176.343 176.600 -0.573 0.000 1.050 466 K CA 1.636 57.703 56.287 -0.366 0.000 0.942 466 K CB -0.048 32.184 32.500 -0.446 0.000 0.724 466 K HN 0.710 nan 8.250 nan 0.000 0.446 467 Y N -1.123 119.060 120.300 -0.195 0.000 2.576 467 Y HA 0.302 4.852 4.550 -0.001 0.000 0.346 467 Y C -0.804 175.007 175.900 -0.150 0.000 1.018 467 Y CA -1.435 56.561 58.100 -0.173 0.000 1.050 467 Y CB 1.577 39.934 38.460 -0.171 0.000 1.280 467 Y HN -0.052 nan 8.280 nan 0.000 0.474 468 Y N -1.051 119.228 120.300 -0.037 0.000 2.524 468 Y HA 0.551 5.100 4.550 -0.001 0.000 0.347 468 Y C -1.101 174.811 175.900 0.019 0.000 1.005 468 Y CA -1.525 56.412 58.100 -0.273 0.000 1.025 468 Y CB 1.531 39.356 38.460 -1.058 0.000 1.275 468 Y HN 0.577 nan 8.280 nan 0.000 0.460 469 Q N 3.753 123.669 119.800 0.193 0.000 2.290 469 Q HA 0.496 4.836 4.340 -0.001 0.000 0.259 469 Q C -1.674 174.404 176.000 0.131 0.000 0.941 469 Q CA -0.614 55.269 55.803 0.133 0.000 0.912 469 Q CB 1.230 30.017 28.738 0.082 0.000 1.244 469 Q HN 0.977 nan 8.270 nan 0.000 0.441 470 L N 4.225 125.539 121.223 0.151 0.000 2.334 470 L HA 0.510 4.849 4.340 -0.001 0.000 0.277 470 L C -0.122 176.826 176.870 0.131 0.000 1.075 470 L CA -0.498 54.429 54.840 0.144 0.000 0.804 470 L CB 1.165 43.296 42.059 0.120 0.000 1.174 470 L HN 0.581 nan 8.230 nan 0.000 0.438 471 R N 2.321 122.880 120.500 0.099 0.000 2.412 471 R HA 0.302 4.642 4.340 -0.001 0.000 0.304 471 R C -1.089 175.095 176.300 -0.194 0.000 1.066 471 R CA -0.534 55.481 56.100 -0.142 0.000 0.923 471 R CB 1.460 31.787 30.300 0.045 0.000 1.156 471 R HN 0.596 nan 8.270 nan 0.000 0.513 472 c N 2.582 120.947 118.600 -0.391 0.000 2.369 472 c HA 0.394 4.963 4.570 -0.001 0.000 0.358 472 c C 1.506 175.359 174.090 -0.395 0.000 1.274 472 c CA -0.194 55.805 56.329 -0.550 0.000 1.935 472 c CB 0.302 42.423 42.510 -0.648 0.000 2.431 472 c HN 0.972 nan 8.230 nan 0.000 0.545 473 S N 3.690 119.241 115.700 -0.248 0.000 2.650 473 S HA 0.622 5.091 4.470 -0.001 0.000 0.240 473 S C 0.423 174.961 174.600 -0.103 0.000 1.007 473 S CA 0.266 58.380 58.200 -0.143 0.000 0.984 473 S CB -0.040 63.111 63.200 -0.081 0.000 0.910 473 S HN 2.065 nan 8.310 nan 0.000 0.509 474 G N 1.896 110.622 108.800 -0.124 0.000 2.359 474 G HA2 0.315 4.274 3.960 -0.001 0.000 0.293 474 G HA3 0.315 4.274 3.960 -0.001 0.000 0.293 474 G C -2.963 171.907 174.900 -0.049 0.000 1.300 474 G CA -0.312 44.757 45.100 -0.052 0.000 0.888 474 G HN -0.115 nan 8.290 nan 0.000 0.541 475 P HA 0.121 nan 4.420 nan 0.000 0.229 475 P C 1.336 178.657 177.300 0.035 0.000 1.160 475 P CA 1.547 64.672 63.100 0.041 0.000 0.777 475 P CB 0.208 31.931 31.700 0.040 0.000 0.814 476 G N 0.209 108.961 108.800 -0.081 0.000 2.510 476 G HA2 0.417 4.376 3.960 -0.001 0.000 0.280 476 G HA3 0.417 4.376 3.960 -0.001 0.000 0.280 476 G C -0.451 174.193 174.900 -0.425 0.000 1.386 476 G CA -0.737 44.232 45.100 -0.218 0.000 1.047 476 G HN 0.051 nan 8.290 nan 0.000 0.527 477 L N 1.376 122.270 121.223 -0.550 0.000 2.426 477 L HA 0.204 4.543 4.340 -0.001 0.000 0.271 477 L C -1.844 174.830 176.870 -0.326 0.000 1.169 477 L CA -1.333 53.131 54.840 -0.627 0.000 0.836 477 L CB 1.008 42.781 42.059 -0.477 0.000 1.112 477 L HN 0.239 nan 8.230 nan 0.000 0.465 478 P HA 0.047 nan 4.420 nan 0.000 0.264 478 P C -1.035 176.135 177.300 -0.217 0.000 1.183 478 P CA 0.016 62.993 63.100 -0.205 0.000 0.763 478 P CB 0.601 32.269 31.700 -0.053 0.000 0.807 479 L N 4.855 125.848 121.223 -0.383 0.000 2.464 479 L HA 0.511 4.850 4.340 -0.001 0.000 0.266 479 L C -1.888 174.746 176.870 -0.394 0.000 0.965 479 L CA -0.680 54.009 54.840 -0.251 0.000 0.833 479 L CB 1.233 43.199 42.059 -0.156 0.000 1.296 479 L HN 0.224 nan 8.230 nan 0.000 0.405 480 Y N 2.440 122.698 120.300 -0.069 0.000 2.364 480 Y HA 0.778 5.327 4.550 -0.001 0.000 0.340 480 Y C 0.247 176.045 175.900 -0.170 0.000 0.975 480 Y CA -0.461 57.578 58.100 -0.101 0.000 1.089 480 Y CB 2.360 40.733 38.460 -0.144 0.000 1.192 480 Y HN 0.677 nan 8.280 nan 0.000 0.454 481 T N 1.321 115.884 114.554 0.015 0.000 2.903 481 T HA 0.639 4.988 4.350 -0.001 0.000 0.299 481 T C -1.255 173.383 174.700 -0.103 0.000 1.093 481 T CA -0.907 61.147 62.100 -0.078 0.000 1.002 481 T CB 1.597 70.478 68.868 0.020 0.000 1.127 481 T HN 0.539 nan 8.240 nan 0.000 0.488 482 L N 1.710 122.768 121.223 -0.275 0.000 2.334 482 L HA 0.643 4.982 4.340 -0.001 0.000 0.275 482 L C -0.913 175.659 176.870 -0.498 0.000 1.036 482 L CA -0.758 53.943 54.840 -0.232 0.000 0.807 482 L CB 1.453 43.407 42.059 -0.174 0.000 1.231 482 L HN 0.894 nan 8.230 nan 0.000 0.438 483 H N 0.073 118.933 119.070 -0.349 0.000 2.930 483 H HA 0.326 4.882 4.556 -0.001 0.000 0.371 483 H C -0.639 174.490 175.328 -0.332 0.000 1.169 483 H CA -0.601 55.138 56.048 -0.515 0.000 1.157 483 H CB 2.035 31.074 29.762 -1.205 0.000 1.789 483 H HN 0.481 nan 8.280 nan 0.000 0.547 484 S N 0.567 116.233 115.700 -0.057 0.000 2.475 484 S HA 0.266 4.735 4.470 -0.001 0.000 0.298 484 S C 0.430 174.998 174.600 -0.053 0.000 1.119 484 S CA -0.654 57.493 58.200 -0.088 0.000 1.085 484 S CB 1.676 64.820 63.200 -0.093 0.000 1.028 484 S HN 0.578 nan 8.310 nan 0.000 0.489 485 S N 2.357 118.037 115.700 -0.034 0.000 2.423 485 S HA -0.102 4.367 4.470 -0.001 0.000 0.231 485 S C 1.829 176.456 174.600 0.045 0.000 1.014 485 S CA 0.854 59.127 58.200 0.122 0.000 0.965 485 S CB -0.463 62.794 63.200 0.096 0.000 0.785 485 S HN 0.694 nan 8.310 nan 0.000 0.495 486 V N 2.632 122.528 119.914 -0.031 0.000 2.332 486 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 486 V C 0.533 176.630 176.094 0.006 0.000 1.055 486 V CA 2.068 64.360 62.300 -0.012 0.000 1.038 486 V CB -0.432 31.370 31.823 -0.034 0.000 0.651 486 V HN 0.563 nan 8.190 nan 0.000 0.450 487 N N -0.971 117.732 118.700 0.005 0.000 2.240 487 N HA 0.211 4.951 4.740 -0.001 0.000 0.240 487 N C -0.468 175.055 175.510 0.022 0.000 1.277 487 N CA 0.308 53.363 53.050 0.008 0.000 0.873 487 N CB 0.729 39.221 38.487 0.008 0.000 1.222 487 N HN 0.321 nan 8.380 nan 0.000 0.507 488 D N 0.464 120.900 120.400 0.061 0.000 2.870 488 D HA -0.202 4.437 4.640 -0.001 0.000 0.228 488 D C -0.235 176.124 176.300 0.099 0.000 1.147 488 D CA 0.914 54.986 54.000 0.119 0.000 0.757 488 D CB -0.617 40.246 40.800 0.105 0.000 1.091 488 D HN 0.437 nan 8.370 nan 0.000 0.429 489 K N 1.005 121.431 120.400 0.043 0.000 2.368 489 K HA 0.308 4.627 4.320 -0.001 0.000 0.282 489 K C 0.740 177.309 176.600 -0.050 0.000 1.035 489 K CA 0.108 56.401 56.287 0.009 0.000 0.973 489 K CB 0.652 33.147 32.500 -0.009 0.000 0.957 489 K HN 0.115 nan 8.250 nan 0.000 0.474 490 G N 4.601 113.337 108.800 -0.107 0.000 2.367 490 G HA2 0.127 4.087 3.960 -0.001 0.000 0.280 490 G HA3 0.127 4.087 3.960 -0.001 0.000 0.280 490 G C 0.763 175.486 174.900 -0.295 0.000 1.175 490 G CA -0.366 44.481 45.100 -0.421 0.000 1.001 490 G HN 0.708 nan 8.290 nan 0.000 0.437 491 L N 1.994 123.016 121.223 -0.335 0.000 2.127 491 L HA 0.276 4.616 4.340 -0.001 0.000 0.203 491 L C 1.677 178.453 176.870 -0.156 0.000 1.080 491 L CA 0.847 55.582 54.840 -0.174 0.000 0.768 491 L CB -0.164 41.822 42.059 -0.122 0.000 0.924 491 L HN 0.772 nan 8.230 nan 0.000 0.444 492 R N -2.470 117.902 120.500 -0.215 0.000 2.828 492 R HA 0.311 4.650 4.340 -0.001 0.000 0.280 492 R C -1.617 174.564 176.300 -0.199 0.000 1.020 492 R CA -0.927 55.074 56.100 -0.166 0.000 0.855 492 R CB 1.027 31.260 30.300 -0.112 0.000 1.278 492 R HN -0.300 nan 8.270 nan 0.000 0.495 493 V N 2.896 122.718 119.914 -0.153 0.000 2.488 493 V HA 0.152 4.271 4.120 -0.001 0.000 0.277 493 V C 1.419 177.383 176.094 -0.217 0.000 1.046 493 V CA -0.254 61.955 62.300 -0.152 0.000 0.986 493 V CB 1.074 32.842 31.823 -0.092 0.000 0.989 493 V HN 0.617 nan 8.190 nan 0.000 0.475 494 L N 2.623 123.651 121.223 -0.326 0.000 2.221 494 L HA 0.309 4.649 4.340 -0.001 0.000 0.202 494 L C 0.711 177.346 176.870 -0.392 0.000 1.074 494 L CA 0.648 55.099 54.840 -0.647 0.000 0.795 494 L CB 0.183 41.458 42.059 -1.307 0.000 0.960 494 L HN 0.683 nan 8.230 nan 0.000 0.458 495 E N -0.024 120.094 120.200 -0.137 0.000 2.343 495 E HA 0.090 4.439 4.350 -0.001 0.000 0.288 495 E C -1.165 175.503 176.600 0.112 0.000 0.907 495 E CA -0.340 56.089 56.400 0.048 0.000 0.792 495 E CB 1.135 30.909 29.700 0.124 0.000 1.275 495 E HN 0.174 nan 8.360 nan 0.000 0.402 496 D N 2.944 123.377 120.400 0.055 0.000 2.398 496 D HA 0.142 4.781 4.640 -0.001 0.000 0.210 496 D C -0.258 176.049 176.300 0.013 0.000 1.094 496 D CA -0.240 53.772 54.000 0.020 0.000 0.839 496 D CB 0.021 40.814 40.800 -0.011 0.000 0.963 496 D HN 0.435 nan 8.370 nan 0.000 0.506 497 N N 0.288 119.019 118.700 0.051 0.000 2.735 497 N HA -0.207 4.532 4.740 -0.001 0.000 0.248 497 N C 0.917 176.432 175.510 0.008 0.000 1.083 497 N CA 0.912 53.984 53.050 0.037 0.000 0.703 497 N CB -1.322 37.172 38.487 0.012 0.000 1.005 497 N HN 0.495 nan 8.380 nan 0.000 0.550 498 S N -0.978 114.731 115.700 0.014 0.000 2.371 498 S HA 0.009 4.478 4.470 -0.001 0.000 0.224 498 S C 2.146 176.758 174.600 0.019 0.000 1.029 498 S CA 0.904 59.108 58.200 0.005 0.000 0.978 498 S CB -0.246 62.959 63.200 0.007 0.000 0.833 498 S HN 0.491 nan 8.310 nan 0.000 0.466 499 A N 2.063 124.905 122.820 0.037 0.000 1.917 499 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 499 A C 2.263 179.884 177.584 0.062 0.000 1.182 499 A CA 1.882 53.950 52.037 0.052 0.000 0.633 499 A CB -0.943 18.094 19.000 0.063 0.000 0.819 499 A HN 0.563 nan 8.150 nan 0.000 0.448 500 L N -0.093 121.168 121.223 0.062 0.000 2.109 500 L HA -0.077 4.262 4.340 -0.001 0.000 0.207 500 L C 1.888 178.772 176.870 0.022 0.000 1.086 500 L CA 2.658 57.543 54.840 0.074 0.000 0.760 500 L CB -0.705 41.407 42.059 0.088 0.000 0.910 500 L HN 0.415 nan 8.230 nan 0.000 0.437 501 D N -0.418 119.976 120.400 -0.010 0.000 2.116 501 D HA -0.226 4.413 4.640 -0.001 0.000 0.193 501 D C 1.962 178.248 176.300 -0.024 0.000 0.998 501 D CA 1.287 55.263 54.000 -0.040 0.000 0.836 501 D CB 0.127 40.899 40.800 -0.046 0.000 0.951 501 D HN 0.147 nan 8.370 nan 0.000 0.449 502 K N -0.186 120.215 120.400 0.001 0.000 2.057 502 K HA -0.037 4.283 4.320 -0.001 0.000 0.207 502 K C 2.297 178.908 176.600 0.018 0.000 1.049 502 K CA 0.772 57.066 56.287 0.012 0.000 0.931 502 K CB -0.600 31.915 32.500 0.026 0.000 0.714 502 K HN 0.373 nan 8.250 nan 0.000 0.440 503 M N 0.280 119.901 119.600 0.035 0.000 2.296 503 M HA -0.071 4.408 4.480 -0.001 0.000 0.265 503 M C 1.931 178.190 176.300 -0.069 0.000 1.064 503 M CA 1.137 56.471 55.300 0.057 0.000 1.109 503 M CB -0.187 32.518 32.600 0.175 0.000 1.396 503 M HN 0.007 nan 8.290 nan 0.000 0.430 504 L N 0.072 121.219 121.223 -0.126 0.000 2.478 504 L HA -0.148 4.192 4.340 -0.001 0.000 0.223 504 L C 2.067 178.875 176.870 -0.104 0.000 1.140 504 L CA 0.747 55.466 54.840 -0.202 0.000 0.842 504 L CB -0.276 41.692 42.059 -0.151 0.000 0.953 504 L HN 0.458 nan 8.230 nan 0.000 0.452 505 Q N -1.790 117.980 119.800 -0.050 0.000 2.319 505 Q HA 0.056 4.395 4.340 -0.001 0.000 0.202 505 Q C 0.909 176.911 176.000 0.004 0.000 0.896 505 Q CA 0.018 55.809 55.803 -0.021 0.000 0.942 505 Q CB -0.072 28.659 28.738 -0.013 0.000 1.083 505 Q HN 0.485 nan 8.270 nan 0.000 0.510 506 N N 1.147 119.854 118.700 0.012 0.000 2.521 506 N HA 0.012 4.751 4.740 -0.001 0.000 0.188 506 N C -0.059 175.483 175.510 0.052 0.000 1.146 506 N CA 0.363 53.438 53.050 0.043 0.000 0.893 506 N CB 1.040 39.568 38.487 0.069 0.000 0.975 506 N HN 0.124 nan 8.380 nan 0.000 0.451 507 V N 0.725 120.653 119.914 0.023 0.000 2.735 507 V HA 0.202 4.322 4.120 -0.001 0.000 0.310 507 V C -1.062 175.049 176.094 0.028 0.000 1.061 507 V CA -0.845 61.481 62.300 0.044 0.000 0.913 507 V CB 2.231 34.085 31.823 0.051 0.000 1.005 507 V HN 0.009 nan 8.190 nan 0.000 0.428 508 Q N 6.373 126.206 119.800 0.055 0.000 2.431 508 Q HA 0.313 4.652 4.340 -0.001 0.000 0.234 508 Q C -0.368 175.631 176.000 -0.002 0.000 1.203 508 Q CA -0.191 55.623 55.803 0.020 0.000 0.902 508 Q CB 0.488 29.261 28.738 0.059 0.000 1.455 508 Q HN 0.615 nan 8.270 nan 0.000 0.515 509 M N 3.699 123.275 119.600 -0.039 0.000 2.241 509 M HA 0.316 4.795 4.480 -0.001 0.000 0.335 509 M C -1.878 174.367 176.300 -0.092 0.000 1.122 509 M CA -2.444 52.822 55.300 -0.056 0.000 1.164 509 M CB -0.146 32.420 32.600 -0.057 0.000 1.459 509 M HN 0.344 nan 8.290 nan 0.000 0.461 510 P HA 0.238 nan 4.420 nan 0.000 0.277 510 P C -0.801 176.420 177.300 -0.131 0.000 1.276 510 P CA -0.346 62.672 63.100 -0.137 0.000 0.788 510 P CB 0.589 32.193 31.700 -0.160 0.000 1.114 511 S N -1.578 114.029 115.700 -0.155 0.000 2.634 511 S HA 0.576 5.045 4.470 -0.001 0.000 0.296 511 S C -0.804 173.703 174.600 -0.155 0.000 1.104 511 S CA -0.830 57.292 58.200 -0.129 0.000 0.920 511 S CB 1.956 65.083 63.200 -0.121 0.000 1.111 511 S HN 0.457 nan 8.310 nan 0.000 0.493 512 K N 0.991 121.328 120.400 -0.105 0.000 2.274 512 K HA 0.403 4.723 4.320 -0.001 0.000 0.262 512 K C -1.065 175.491 176.600 -0.072 0.000 0.961 512 K CA -0.535 55.698 56.287 -0.091 0.000 0.833 512 K CB 1.106 33.576 32.500 -0.049 0.000 1.102 512 K HN 0.746 nan 8.250 nan 0.000 0.436 513 K N 6.212 126.564 120.400 -0.080 0.000 2.265 513 K HA 0.283 4.603 4.320 -0.001 0.000 0.267 513 K C -1.365 175.238 176.600 0.004 0.000 0.994 513 K CA -0.665 55.597 56.287 -0.041 0.000 0.860 513 K CB 0.966 33.423 32.500 -0.072 0.000 1.099 513 K HN 0.560 nan 8.250 nan 0.000 0.448 514 L N 4.813 126.048 121.223 0.019 0.000 2.298 514 L HA 0.439 4.778 4.340 -0.001 0.000 0.284 514 L C -1.211 175.686 176.870 0.045 0.000 1.013 514 L CA -0.150 54.725 54.840 0.058 0.000 0.824 514 L CB 1.154 43.294 42.059 0.136 0.000 1.221 514 L HN 0.914 nan 8.230 nan 0.000 0.418 515 D N 3.082 123.339 120.400 -0.239 0.000 2.921 515 D HA 0.504 5.143 4.640 -0.001 0.000 0.329 515 D C -1.404 174.518 176.300 -0.629 0.000 1.293 515 D CA 0.014 53.772 54.000 -0.404 0.000 0.964 515 D CB 2.150 42.665 40.800 -0.474 0.000 1.435 515 D HN 0.240 nan 8.370 nan 0.000 0.548 516 F N -0.324 119.213 119.950 -0.688 0.000 2.692 516 F HA 0.781 5.307 4.527 -0.001 0.000 0.320 516 F C -0.965 174.872 175.800 0.062 0.000 1.123 516 F CA -1.025 56.689 58.000 -0.476 0.000 0.961 516 F CB 0.770 39.023 39.000 -1.246 0.000 1.383 516 F HN 0.299 nan 8.300 nan 0.000 0.483 517 I N -0.695 120.084 120.570 0.348 0.000 3.095 517 I HA 0.695 4.865 4.170 -0.001 0.000 0.310 517 I C -1.637 174.702 176.117 0.370 0.000 1.196 517 I CA -1.275 60.185 61.300 0.268 0.000 0.985 517 I CB 2.638 40.797 38.000 0.266 0.000 1.250 517 I HN 0.631 nan 8.210 nan 0.000 0.446 518 I N 3.907 124.631 120.570 0.256 0.000 2.378 518 I HA 0.511 4.681 4.170 -0.001 0.000 0.291 518 I C -0.956 175.301 176.117 0.234 0.000 0.992 518 I CA -0.550 60.894 61.300 0.240 0.000 1.154 518 I CB 1.665 39.765 38.000 0.166 0.000 1.315 518 I HN 0.377 nan 8.210 nan 0.000 0.448 519 L N 5.517 126.941 121.223 0.335 0.000 2.386 519 L HA 0.374 4.714 4.340 -0.001 0.000 0.271 519 L C -0.250 176.764 176.870 0.240 0.000 0.993 519 L CA -1.090 53.923 54.840 0.287 0.000 0.819 519 L CB 1.865 44.126 42.059 0.336 0.000 1.294 519 L HN 0.702 nan 8.230 nan 0.000 0.414 520 N N 2.724 121.503 118.700 0.131 0.000 2.974 520 N HA -0.285 4.455 4.740 -0.001 0.000 0.298 520 N C 0.152 175.707 175.510 0.076 0.000 1.048 520 N CA 1.107 54.206 53.050 0.082 0.000 0.849 520 N CB -0.765 37.752 38.487 0.050 0.000 0.952 520 N HN 0.783 nan 8.380 nan 0.000 0.615 521 E N -3.830 116.407 120.200 0.062 0.000 4.141 521 E HA -0.191 4.159 4.350 -0.001 0.000 0.158 521 E C -0.163 176.435 176.600 -0.003 0.000 1.031 521 E CA 1.936 58.352 56.400 0.027 0.000 2.664 521 E CB -1.943 27.763 29.700 0.009 0.000 1.592 521 E HN 0.654 nan 8.360 nan 0.000 0.585 522 T N 4.185 118.717 114.554 -0.037 0.000 2.860 522 T HA 0.316 4.666 4.350 -0.001 0.000 0.299 522 T C 0.612 175.127 174.700 -0.308 0.000 1.045 522 T CA 0.221 62.185 62.100 -0.227 0.000 1.071 522 T CB 0.848 69.475 68.868 -0.403 0.000 0.985 522 T HN 0.189 nan 8.240 nan 0.000 0.537 523 K N 1.154 121.316 120.400 -0.397 0.000 2.123 523 K HA 0.602 4.921 4.320 -0.001 0.000 0.259 523 K C -1.427 174.867 176.600 -0.509 0.000 0.960 523 K CA -0.669 55.434 56.287 -0.307 0.000 0.872 523 K CB 1.085 33.383 32.500 -0.337 0.000 1.079 523 K HN 0.452 nan 8.250 nan 0.000 0.440 524 F N 0.923 120.947 119.950 0.123 0.000 2.562 524 F HA 0.315 4.841 4.527 -0.001 0.000 0.319 524 F C -0.989 174.913 175.800 0.170 0.000 1.154 524 F CA -0.837 57.232 58.000 0.115 0.000 0.931 524 F CB 1.208 40.230 39.000 0.037 0.000 1.198 524 F HN 0.525 nan 8.300 nan 0.000 0.444 525 W N 3.183 124.603 121.300 0.200 0.000 2.283 525 W HA 0.547 5.207 4.660 -0.000 0.000 0.341 525 W C -0.602 176.081 176.519 0.274 0.000 1.206 525 W CA -0.635 56.842 57.345 0.221 0.000 1.294 525 W CB 0.553 30.084 29.460 0.118 0.000 1.154 525 W HN 0.435 nan 8.180 nan 0.000 0.613 526 Y N -0.773 119.857 120.300 0.549 0.000 2.597 526 Y HA 0.600 5.150 4.550 -0.000 0.000 0.340 526 Y C -0.865 175.280 175.900 0.409 0.000 1.097 526 Y CA -1.891 56.528 58.100 0.531 0.000 1.037 526 Y CB 0.908 39.842 38.460 0.791 0.000 1.305 526 Y HN 0.584 nan 8.280 nan 0.000 0.463 527 Q N 2.318 122.406 119.800 0.480 0.000 2.416 527 Q HA 0.834 5.173 4.340 -0.001 0.000 0.279 527 Q C -1.654 174.522 176.000 0.292 0.000 1.101 527 Q CA -1.247 54.728 55.803 0.287 0.000 0.830 527 Q CB 3.362 32.206 28.738 0.177 0.000 1.402 527 Q HN 0.875 nan 8.270 nan 0.000 0.445 528 M N 1.953 121.627 119.600 0.124 0.000 2.277 528 M HA 0.386 4.865 4.480 -0.001 0.000 0.282 528 M C -1.464 174.765 176.300 -0.118 0.000 1.074 528 M CA -0.722 54.559 55.300 -0.032 0.000 0.954 528 M CB 2.369 34.907 32.600 -0.103 0.000 1.672 528 M HN 0.613 nan 8.290 nan 0.000 0.471 529 I N 5.289 125.778 120.570 -0.135 0.000 2.291 529 I HA 0.306 4.475 4.170 -0.001 0.000 0.292 529 I C -0.462 175.497 176.117 -0.263 0.000 1.064 529 I CA -0.210 60.984 61.300 -0.175 0.000 1.269 529 I CB -0.002 37.916 38.000 -0.137 0.000 1.418 529 I HN 0.628 nan 8.210 nan 0.000 0.485 530 L N 8.500 129.514 121.223 -0.349 0.000 2.312 530 L HA 0.418 4.758 4.340 -0.001 0.000 0.281 530 L C -2.093 174.584 176.870 -0.321 0.000 1.070 530 L CA -1.748 52.795 54.840 -0.494 0.000 0.805 530 L CB 0.652 42.225 42.059 -0.811 0.000 1.174 530 L HN 0.270 nan 8.230 nan 0.000 0.434 531 P HA 0.052 nan 4.420 nan 0.000 0.269 531 P C -2.456 174.791 177.300 -0.088 0.000 1.217 531 P CA -0.760 62.262 63.100 -0.130 0.000 0.783 531 P CB -0.234 31.443 31.700 -0.038 0.000 0.898 532 P HA -0.002 nan 4.420 nan 0.000 0.269 532 P C -0.475 176.784 177.300 -0.068 0.000 1.217 532 P CA 0.341 63.327 63.100 -0.189 0.000 0.783 532 P CB -0.293 31.253 31.700 -0.258 0.000 0.898 533 H N -2.828 116.284 119.070 0.070 0.000 2.713 533 H HA -0.225 4.330 4.556 -0.001 0.000 0.311 533 H C 0.160 175.563 175.328 0.125 0.000 1.175 533 H CA -0.194 55.903 56.048 0.081 0.000 1.143 533 H CB -2.283 27.517 29.762 0.063 0.000 1.434 533 H HN 0.286 nan 8.280 nan 0.000 0.418 534 F N 1.762 121.712 119.950 -0.001 0.000 2.586 534 F HA 0.217 4.744 4.527 -0.001 0.000 0.344 534 F C 0.553 176.376 175.800 0.037 0.000 1.188 534 F CA 0.365 58.317 58.000 -0.080 0.000 1.359 534 F CB 0.658 39.495 39.000 -0.271 0.000 1.129 534 F HN 0.312 nan 8.300 nan 0.000 0.609 535 D N 3.256 123.110 120.400 -0.910 0.000 2.764 535 D HA 0.123 4.763 4.640 -0.001 0.000 0.227 535 D C -0.154 175.663 176.300 -0.806 0.000 1.347 535 D CA -0.556 53.084 54.000 -0.601 0.000 0.953 535 D CB 1.404 42.089 40.800 -0.193 0.000 1.476 535 D HN 0.616 nan 8.370 nan 0.000 0.585 536 K N 0.925 121.000 120.400 -0.540 0.000 2.574 536 K HA -0.032 4.287 4.320 -0.001 0.000 0.193 536 K C 1.184 177.834 176.600 0.082 0.000 1.035 536 K CA 1.208 57.452 56.287 -0.072 0.000 0.982 536 K CB 0.038 32.688 32.500 0.249 0.000 0.795 536 K HN 0.173 nan 8.250 nan 0.000 0.491 537 S N -0.047 115.633 115.700 -0.032 0.000 2.421 537 S HA 0.057 4.527 4.470 -0.001 0.000 0.224 537 S C 0.745 175.333 174.600 -0.019 0.000 1.035 537 S CA -0.255 57.938 58.200 -0.011 0.000 0.953 537 S CB -0.032 63.146 63.200 -0.036 0.000 0.810 537 S HN 0.182 nan 8.310 nan 0.000 0.497 538 K N 1.117 121.479 120.400 -0.063 0.000 2.156 538 K HA 0.325 4.645 4.320 -0.001 0.000 0.242 538 K C -0.695 175.873 176.600 -0.053 0.000 1.033 538 K CA 0.132 56.337 56.287 -0.137 0.000 0.878 538 K CB 0.249 32.555 32.500 -0.323 0.000 1.057 538 K HN -0.006 nan 8.250 nan 0.000 0.505 539 K N 1.796 122.103 120.400 -0.156 0.000 2.540 539 K HA 0.224 4.543 4.320 -0.001 0.000 0.218 539 K C -1.485 175.058 176.600 -0.096 0.000 1.017 539 K CA -0.192 56.072 56.287 -0.038 0.000 1.029 539 K CB 0.400 32.870 32.500 -0.050 0.000 1.348 539 K HN 0.325 nan 8.250 nan 0.000 0.508 540 Y N 2.458 122.777 120.300 0.032 0.000 2.326 540 Y HA 0.191 4.740 4.550 -0.001 0.000 0.333 540 Y C -1.671 174.169 175.900 -0.101 0.000 1.240 540 Y CA -1.903 56.188 58.100 -0.016 0.000 1.365 540 Y CB 0.293 38.783 38.460 0.051 0.000 1.289 540 Y HN 0.419 nan 8.280 nan 0.000 0.548 541 P HA 0.217 nan 4.420 nan 0.000 0.278 541 P C -1.175 175.974 177.300 -0.251 0.000 1.238 541 P CA -0.311 62.529 63.100 -0.433 0.000 0.794 541 P CB 1.420 32.542 31.700 -0.962 0.000 0.955 542 L N 3.249 124.353 121.223 -0.198 0.000 2.356 542 L HA 0.480 4.819 4.340 -0.001 0.000 0.277 542 L C -0.944 176.063 176.870 0.228 0.000 0.996 542 L CA -0.981 53.879 54.840 0.032 0.000 0.822 542 L CB 1.407 43.495 42.059 0.048 0.000 1.256 542 L HN 0.251 nan 8.230 nan 0.000 0.413 543 L N 5.766 127.142 121.223 0.255 0.000 2.265 543 L HA 0.364 4.704 4.340 -0.001 0.000 0.289 543 L C -0.880 176.188 176.870 0.330 0.000 1.033 543 L CA -0.869 54.183 54.840 0.353 0.000 0.814 543 L CB 1.550 43.777 42.059 0.279 0.000 1.203 543 L HN 0.599 nan 8.230 nan 0.000 0.423 544 L N 5.495 126.966 121.223 0.412 0.000 2.342 544 L HA 0.226 4.565 4.340 -0.001 0.000 0.285 544 L C -0.138 176.975 176.870 0.405 0.000 1.095 544 L CA 0.161 55.242 54.840 0.402 0.000 0.843 544 L CB 0.499 42.846 42.059 0.481 0.000 1.201 544 L HN 0.470 nan 8.230 nan 0.000 0.445 545 D N 4.353 124.976 120.400 0.371 0.000 2.316 545 D HA 0.247 4.886 4.640 -0.001 0.000 0.245 545 D C -0.834 175.568 176.300 0.170 0.000 1.171 545 D CA 0.007 54.178 54.000 0.285 0.000 0.856 545 D CB 1.312 42.355 40.800 0.406 0.000 1.090 545 D HN 0.309 nan 8.370 nan 0.000 0.476 546 V N 5.630 125.566 119.914 0.037 0.000 2.864 546 V HA 0.515 4.634 4.120 -0.001 0.000 0.314 546 V C -1.005 175.193 176.094 0.173 0.000 1.073 546 V CA -0.437 61.953 62.300 0.150 0.000 0.956 546 V CB 1.842 33.776 31.823 0.185 0.000 1.023 546 V HN 0.654 nan 8.190 nan 0.000 0.435 547 Y N 4.555 124.930 120.300 0.125 0.000 3.266 547 Y HA 0.506 5.055 4.550 -0.001 0.000 0.189 547 Y C 1.444 177.488 175.900 0.240 0.000 0.895 547 Y CA 1.248 59.444 58.100 0.161 0.000 1.706 547 Y CB -0.154 38.381 38.460 0.125 0.000 1.449 547 Y HN 1.520 nan 8.280 nan 0.000 0.391 548 A N 1.280 124.167 122.820 0.111 0.000 2.816 548 A HA -0.138 4.181 4.320 -0.001 0.000 0.270 548 A C 1.005 178.424 177.584 -0.275 0.000 1.413 548 A CA 1.162 53.195 52.037 -0.007 0.000 0.866 548 A CB -2.404 16.733 19.000 0.228 0.000 1.032 548 A HN 1.061 nan 8.150 nan 0.000 0.642 549 G N -0.491 107.810 108.800 -0.832 0.000 2.606 549 G HA2 0.478 4.437 3.960 -0.001 0.000 0.252 549 G HA3 0.478 4.437 3.960 -0.001 0.000 0.252 549 G C -1.901 172.545 174.900 -0.756 0.000 1.206 549 G CA -0.639 43.729 45.100 -1.221 0.000 0.861 549 G HN 0.373 nan 8.290 nan 0.000 0.561 550 P HA 0.011 nan 4.420 nan 0.000 0.261 550 P C 0.700 177.761 177.300 -0.399 0.000 1.183 550 P CA 0.171 62.959 63.100 -0.521 0.000 0.761 550 P CB 0.692 31.785 31.700 -1.012 0.000 0.785 551 C N 2.248 121.379 119.300 -0.281 0.000 4.465 551 C HA -0.152 4.307 4.460 -0.001 0.000 0.274 551 C C 1.086 175.955 174.990 -0.202 0.000 1.337 551 C CA 1.188 59.996 59.018 -0.350 0.000 1.822 551 C CB -2.614 24.755 27.740 -0.617 0.000 1.357 551 C HN 0.815 nan 8.230 nan 0.000 0.753 552 S N 0.113 115.660 115.700 -0.256 0.000 2.603 552 S HA 0.547 5.017 4.470 -0.001 0.000 0.268 552 S C -0.614 173.987 174.600 0.002 0.000 1.317 552 S CA 0.103 58.140 58.200 -0.271 0.000 1.012 552 S CB 1.629 64.256 63.200 -0.954 0.000 0.926 552 S HN 0.782 nan 8.310 nan 0.000 0.539 553 Q N 0.120 120.020 119.800 0.167 0.000 2.309 553 Q HA 0.346 4.685 4.340 -0.001 0.000 0.254 553 Q C -0.695 175.439 176.000 0.224 0.000 0.938 553 Q CA -0.625 55.309 55.803 0.218 0.000 0.789 553 Q CB 1.064 30.000 28.738 0.330 0.000 1.313 553 Q HN 0.697 nan 8.270 nan 0.000 0.438 554 K N 0.958 121.479 120.400 0.202 0.000 2.355 554 K HA 0.325 4.645 4.320 -0.001 0.000 0.198 554 K C -0.365 176.358 176.600 0.204 0.000 1.039 554 K CA 0.243 56.663 56.287 0.223 0.000 1.075 554 K CB 1.502 34.154 32.500 0.254 0.000 0.870 554 K HN 0.487 nan 8.250 nan 0.000 0.540 555 A N 2.845 125.784 122.820 0.198 0.000 2.322 555 A HA 0.413 4.732 4.320 -0.001 0.000 0.327 555 A C -0.742 176.918 177.584 0.126 0.000 1.394 555 A CA -0.528 51.627 52.037 0.196 0.000 0.921 555 A CB 0.069 19.235 19.000 0.275 0.000 1.153 555 A HN 0.230 nan 8.150 nan 0.000 0.523 556 D N -0.030 120.430 120.400 0.100 0.000 2.798 556 D HA 0.464 5.103 4.640 -0.001 0.000 0.308 556 D C 0.352 176.685 176.300 0.055 0.000 1.187 556 D CA 0.284 54.334 54.000 0.084 0.000 1.033 556 D CB 0.365 41.231 40.800 0.110 0.000 1.445 556 D HN 0.159 nan 8.370 nan 0.000 0.550 557 T N -2.337 112.264 114.554 0.077 0.000 3.214 557 T HA 0.370 4.719 4.350 -0.001 0.000 0.264 557 T C 0.269 174.933 174.700 -0.059 0.000 1.012 557 T CA -0.423 61.708 62.100 0.051 0.000 0.901 557 T CB -0.733 68.211 68.868 0.127 0.000 1.070 557 T HN 0.268 nan 8.240 nan 0.000 0.561 558 V N 2.311 122.090 119.914 -0.225 0.000 2.686 558 V HA 0.356 4.475 4.120 -0.001 0.000 0.295 558 V C 0.097 176.141 176.094 -0.082 0.000 1.055 558 V CA -0.989 61.131 62.300 -0.300 0.000 1.050 558 V CB 0.277 31.814 31.823 -0.476 0.000 0.984 558 V HN 0.556 nan 8.190 nan 0.000 0.482 559 F N 5.898 125.749 119.950 -0.165 0.000 2.444 559 F HA 0.501 5.027 4.527 -0.001 0.000 0.360 559 F C 0.527 176.273 175.800 -0.091 0.000 1.106 559 F CA -0.183 57.749 58.000 -0.113 0.000 1.170 559 F CB 0.168 39.108 39.000 -0.100 0.000 1.113 559 F HN 0.420 nan 8.300 nan 0.000 0.521 560 R N 5.496 125.603 120.500 -0.655 0.000 2.670 560 R HA 0.567 4.906 4.340 -0.001 0.000 0.289 560 R C -1.746 174.139 176.300 -0.692 0.000 0.965 560 R CA -1.222 54.578 56.100 -0.501 0.000 0.899 560 R CB 1.794 31.951 30.300 -0.239 0.000 1.173 560 R HN 0.433 nan 8.270 nan 0.000 0.456 561 L N 4.440 125.425 121.223 -0.396 0.000 2.313 561 L HA 0.335 4.675 4.340 -0.001 0.000 0.273 561 L C -0.643 176.191 176.870 -0.061 0.000 1.028 561 L CA -0.427 54.238 54.840 -0.291 0.000 0.871 561 L CB 0.136 42.153 42.059 -0.069 0.000 1.242 561 L HN 0.744 nan 8.230 nan 0.000 0.434 562 N N 0.376 118.971 118.700 -0.176 0.000 3.439 562 N HA 0.184 4.924 4.740 -0.001 0.000 0.343 562 N C 0.535 175.728 175.510 -0.527 0.000 1.597 562 N CA -0.742 52.125 53.050 -0.306 0.000 0.733 562 N CB -0.051 38.356 38.487 -0.134 0.000 1.973 562 N HN 0.198 nan 8.380 nan 0.000 0.646 563 W N 0.575 121.306 121.300 -0.948 0.000 2.358 563 W HA 0.214 4.874 4.660 -0.001 0.000 0.303 563 W C 2.084 178.561 176.519 -0.070 0.000 1.208 563 W CA 2.746 59.744 57.345 -0.579 0.000 1.274 563 W CB -1.045 28.202 29.460 -0.356 0.000 1.138 563 W HN 0.683 nan 8.180 nan 0.000 0.515 564 A N -0.452 122.334 122.820 -0.057 0.000 1.978 564 A HA -0.210 4.109 4.320 -0.001 0.000 0.220 564 A C 1.920 179.400 177.584 -0.172 0.000 1.170 564 A CA 2.500 54.444 52.037 -0.155 0.000 0.636 564 A CB -1.282 17.719 19.000 0.001 0.000 0.810 564 A HN 0.303 nan 8.150 nan 0.000 0.448 565 T N -1.319 113.148 114.554 -0.144 0.000 2.788 565 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 565 T C 1.770 176.489 174.700 0.032 0.000 1.044 565 T CA 1.649 63.635 62.100 -0.191 0.000 1.139 565 T CB -0.439 68.135 68.868 -0.489 0.000 0.867 565 T HN 0.718 nan 8.240 nan 0.000 0.454 566 Y N 1.952 122.327 120.300 0.125 0.000 2.184 566 Y HA 0.046 4.595 4.550 -0.001 0.000 0.290 566 Y C 1.928 177.822 175.900 -0.010 0.000 1.129 566 Y CA 0.825 59.048 58.100 0.206 0.000 1.144 566 Y CB -0.709 37.860 38.460 0.181 0.000 0.995 566 Y HN 0.079 nan 8.280 nan 0.000 0.513 567 L N 0.554 121.376 121.223 -0.668 0.000 2.042 567 L HA -0.231 4.109 4.340 -0.001 0.000 0.210 567 L C 2.873 179.497 176.870 -0.411 0.000 1.076 567 L CA 1.473 55.859 54.840 -0.756 0.000 0.749 567 L CB -1.043 40.628 42.059 -0.646 0.000 0.893 567 L HN 0.422 nan 8.230 nan 0.000 0.432 568 A N -1.091 121.567 122.820 -0.270 0.000 1.855 568 A HA -0.218 4.102 4.320 -0.001 0.000 0.215 568 A C 2.534 180.044 177.584 -0.123 0.000 1.191 568 A CA 1.944 53.875 52.037 -0.176 0.000 0.613 568 A CB -0.848 18.047 19.000 -0.175 0.000 0.829 568 A HN 0.352 nan 8.150 nan 0.000 0.442 569 S N -1.206 114.442 115.700 -0.087 0.000 2.356 569 S HA -0.131 4.338 4.470 -0.001 0.000 0.223 569 S C 1.911 176.519 174.600 0.015 0.000 1.032 569 S CA 2.341 60.542 58.200 0.003 0.000 1.005 569 S CB -0.413 62.861 63.200 0.122 0.000 0.867 569 S HN 0.594 nan 8.310 nan 0.000 0.449 570 T N 0.704 115.226 114.554 -0.053 0.000 3.039 570 T HA 0.231 4.581 4.350 -0.001 0.000 0.250 570 T C 1.303 175.953 174.700 -0.083 0.000 1.052 570 T CA 0.361 62.444 62.100 -0.027 0.000 1.125 570 T CB 0.041 68.946 68.868 0.062 0.000 0.908 570 T HN 0.300 nan 8.240 nan 0.000 0.473 571 E N 1.097 121.173 120.200 -0.206 0.000 2.489 571 E HA 0.206 4.555 4.350 -0.001 0.000 0.204 571 E C -0.044 176.533 176.600 -0.039 0.000 1.006 571 E CA -0.064 56.251 56.400 -0.141 0.000 0.936 571 E CB -0.039 29.500 29.700 -0.268 0.000 1.002 571 E HN 0.519 nan 8.360 nan 0.000 0.488 572 N N 0.753 119.441 118.700 -0.020 0.000 2.758 572 N HA -0.183 4.557 4.740 -0.001 0.000 0.248 572 N C -0.738 174.850 175.510 0.130 0.000 1.076 572 N CA 0.201 53.311 53.050 0.100 0.000 0.696 572 N CB -1.286 37.312 38.487 0.185 0.000 0.979 572 N HN 0.184 nan 8.380 nan 0.000 0.550 573 I N 0.847 121.421 120.570 0.006 0.000 2.437 573 I HA 0.352 4.521 4.170 -0.001 0.000 0.298 573 I C 0.717 176.800 176.117 -0.057 0.000 0.984 573 I CA -0.808 60.500 61.300 0.013 0.000 1.214 573 I CB 1.270 39.294 38.000 0.039 0.000 1.365 573 I HN 0.027 nan 8.210 nan 0.000 0.469 574 I N 5.931 126.470 120.570 -0.052 0.000 2.371 574 I HA 0.174 4.343 4.170 -0.001 0.000 0.290 574 I C -0.460 175.617 176.117 -0.067 0.000 1.028 574 I CA -0.481 60.741 61.300 -0.131 0.000 1.345 574 I CB 1.041 38.955 38.000 -0.144 0.000 1.407 574 I HN 0.196 nan 8.210 nan 0.000 0.501 575 V N 6.351 126.214 119.914 -0.084 0.000 2.347 575 V HA 0.651 4.771 4.120 -0.001 0.000 0.280 575 V C 0.301 176.396 176.094 0.001 0.000 1.021 575 V CA -0.500 61.799 62.300 -0.001 0.000 0.847 575 V CB 1.072 32.898 31.823 0.004 0.000 0.990 575 V HN 0.831 nan 8.190 nan 0.000 0.444 576 A N 3.827 126.669 122.820 0.037 0.000 2.356 576 A HA 0.945 5.265 4.320 -0.001 0.000 0.323 576 A C -0.195 177.514 177.584 0.209 0.000 1.119 576 A CA -0.516 51.526 52.037 0.007 0.000 0.790 576 A CB 1.757 20.557 19.000 -0.334 0.000 1.273 576 A HN 0.701 nan 8.150 nan 0.000 0.452 577 S N -0.068 115.817 115.700 0.309 0.000 2.549 577 S HA 0.723 5.192 4.470 -0.001 0.000 0.280 577 S C -1.499 173.459 174.600 0.596 0.000 1.109 577 S CA -0.312 58.132 58.200 0.407 0.000 0.905 577 S CB 1.310 64.697 63.200 0.311 0.000 1.081 577 S HN 0.734 nan 8.310 nan 0.000 0.477 578 F N 2.037 122.233 119.950 0.411 0.000 2.540 578 F HA 0.497 5.024 4.527 -0.000 0.000 0.317 578 F C -1.316 174.675 175.800 0.318 0.000 1.104 578 F CA -0.812 57.445 58.000 0.429 0.000 0.913 578 F CB 1.373 40.588 39.000 0.358 0.000 1.170 578 F HN 0.390 nan 8.300 nan 0.000 0.450 579 D N 4.470 124.722 120.400 -0.246 0.000 2.373 579 D HA 0.418 5.057 4.640 -0.001 0.000 0.227 579 D C 0.233 176.220 176.300 -0.521 0.000 1.091 579 D CA 0.110 53.987 54.000 -0.205 0.000 0.840 579 D CB 1.605 42.419 40.800 0.022 0.000 1.060 579 D HN 0.776 nan 8.370 nan 0.000 0.502 580 G N 1.314 109.931 108.800 -0.305 0.000 2.971 580 G HA2 0.379 4.339 3.960 -0.001 0.000 0.235 580 G HA3 0.379 4.339 3.960 -0.001 0.000 0.235 580 G C -0.035 174.870 174.900 0.009 0.000 1.351 580 G CA -0.770 44.180 45.100 -0.249 0.000 1.039 580 G HN 0.260 nan 8.290 nan 0.000 0.563 581 R N -0.879 119.617 120.500 -0.008 0.000 2.566 581 R HA 0.346 4.685 4.340 -0.001 0.000 0.273 581 R C 1.440 177.816 176.300 0.128 0.000 0.981 581 R CA 2.219 58.398 56.100 0.132 0.000 1.091 581 R CB 0.232 30.604 30.300 0.119 0.000 0.924 581 R HN 1.391 nan 8.270 nan 0.000 0.411 582 G N 1.221 110.088 108.800 0.113 0.000 2.234 582 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.235 582 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.235 582 G C 0.251 175.138 174.900 -0.022 0.000 0.997 582 G CA 0.161 45.300 45.100 0.066 0.000 0.623 582 G HN 0.664 nan 8.290 nan 0.000 0.514 583 S N 0.649 116.343 115.700 -0.010 0.000 2.563 583 S HA 0.470 4.940 4.470 -0.001 0.000 0.269 583 S C 1.003 175.545 174.600 -0.095 0.000 1.364 583 S CA 0.569 58.744 58.200 -0.042 0.000 1.010 583 S CB 0.907 64.127 63.200 0.033 0.000 0.877 583 S HN 1.413 nan 8.310 nan 0.000 0.549 584 G N -0.675 108.039 108.800 -0.143 0.000 2.597 584 G HA2 0.527 4.486 3.960 -0.001 0.000 0.317 584 G HA3 0.527 4.486 3.960 -0.001 0.000 0.317 584 G C -1.070 173.707 174.900 -0.205 0.000 1.230 584 G CA -0.796 44.085 45.100 -0.366 0.000 0.996 584 G HN 0.813 nan 8.290 nan 0.000 0.490 585 Y N -2.305 117.965 120.300 -0.049 0.000 4.409 585 Y HA -0.232 4.318 4.550 -0.001 0.000 0.228 585 Y C 1.355 177.237 175.900 -0.030 0.000 1.108 585 Y CA 1.112 59.194 58.100 -0.031 0.000 1.955 585 Y CB -2.150 36.315 38.460 0.007 0.000 1.615 585 Y HN 0.541 nan 8.280 nan 0.000 0.665 586 Q N -0.052 119.751 119.800 0.004 0.000 2.093 586 Q HA 0.500 4.840 4.340 -0.001 0.000 0.217 586 Q C 0.868 176.736 176.000 -0.221 0.000 0.785 586 Q CA 0.215 56.022 55.803 0.007 0.000 1.038 586 Q CB 1.762 30.505 28.738 0.008 0.000 1.190 586 Q HN 0.602 nan 8.270 nan 0.000 0.468 587 G N 0.759 109.301 108.800 -0.430 0.000 2.675 587 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 587 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 587 G C -0.548 173.972 174.900 -0.634 0.000 1.215 587 G CA -0.632 43.950 45.100 -0.863 0.000 0.777 587 G HN 0.095 nan 8.290 nan 0.000 0.638 588 D N 0.104 120.094 120.400 -0.683 0.000 2.264 588 D HA -0.035 4.604 4.640 -0.001 0.000 0.208 588 D C 2.197 178.208 176.300 -0.480 0.000 0.966 588 D CA 1.241 54.787 54.000 -0.757 0.000 0.864 588 D CB 0.084 40.375 40.800 -0.848 0.000 0.933 588 D HN 0.562 nan 8.370 nan 0.000 0.499 589 K N 0.333 120.508 120.400 -0.375 0.000 2.026 589 K HA -0.056 4.263 4.320 -0.001 0.000 0.208 589 K C 2.004 178.521 176.600 -0.139 0.000 1.048 589 K CA 0.857 57.018 56.287 -0.210 0.000 0.929 589 K CB -0.065 32.326 32.500 -0.181 0.000 0.713 589 K HN 0.086 nan 8.250 nan 0.000 0.439 590 I N 0.136 120.610 120.570 -0.160 0.000 2.353 590 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 590 I C 2.493 178.582 176.117 -0.046 0.000 1.119 590 I CA 0.992 62.263 61.300 -0.048 0.000 1.417 590 I CB -0.068 37.916 38.000 -0.027 0.000 1.078 590 I HN 0.319 nan 8.210 nan 0.000 0.421 591 M N -0.384 119.107 119.600 -0.181 0.000 2.288 591 M HA -0.144 4.336 4.480 -0.001 0.000 0.266 591 M C 1.644 177.974 176.300 0.050 0.000 1.072 591 M CA 1.805 57.022 55.300 -0.140 0.000 1.132 591 M CB -0.113 32.285 32.600 -0.335 0.000 1.386 591 M HN 0.252 nan 8.290 nan 0.000 0.432 592 H N -1.023 117.965 119.070 -0.137 0.000 2.551 592 H HA 0.274 4.830 4.556 -0.001 0.000 0.271 592 H C 1.765 177.124 175.328 0.053 0.000 0.984 592 H CA 0.164 56.145 56.048 -0.110 0.000 1.164 592 H CB 0.373 29.967 29.762 -0.280 0.000 1.437 592 H HN 0.482 nan 8.280 nan 0.000 0.550 593 A N 1.459 124.391 122.820 0.187 0.000 2.125 593 A HA -0.110 4.210 4.320 -0.001 0.000 0.219 593 A C 1.995 179.799 177.584 0.368 0.000 1.156 593 A CA 1.017 53.187 52.037 0.222 0.000 0.671 593 A CB -0.670 18.415 19.000 0.141 0.000 0.794 593 A HN 0.593 nan 8.150 nan 0.000 0.459 594 I N -3.731 117.020 120.570 0.302 0.000 3.976 594 I HA 0.166 4.336 4.170 -0.001 0.000 0.337 594 I C 0.398 176.608 176.117 0.154 0.000 1.359 594 I CA -0.512 60.919 61.300 0.217 0.000 1.098 594 I CB -0.430 37.671 38.000 0.168 0.000 1.027 594 I HN 0.179 nan 8.210 nan 0.000 0.394 595 N N 3.373 122.216 118.700 0.239 0.000 2.294 595 N HA -0.123 4.616 4.740 -0.001 0.000 0.263 595 N C 0.236 175.784 175.510 0.065 0.000 1.281 595 N CA 0.653 53.834 53.050 0.218 0.000 0.846 595 N CB 0.324 38.907 38.487 0.159 0.000 1.061 595 N HN 0.448 nan 8.380 nan 0.000 0.478 596 R N 0.447 120.961 120.500 0.022 0.000 3.922 596 R HA -0.187 4.153 4.340 -0.001 0.000 0.447 596 R C -0.211 175.995 176.300 -0.157 0.000 1.035 596 R CA 0.867 56.943 56.100 -0.041 0.000 1.289 596 R CB -0.874 29.413 30.300 -0.022 0.000 1.906 596 R HN 0.543 nan 8.270 nan 0.000 0.540 597 R N 0.898 121.291 120.500 -0.179 0.000 2.648 597 R HA 0.368 4.707 4.340 -0.001 0.000 0.341 597 R C -0.621 175.664 176.300 -0.025 0.000 1.154 597 R CA -0.199 55.665 56.100 -0.393 0.000 1.228 597 R CB 0.410 30.474 30.300 -0.392 0.000 1.311 597 R HN 0.078 nan 8.270 nan 0.000 0.659 598 L N -0.422 120.873 121.223 0.120 0.000 2.461 598 L HA 0.255 4.595 4.340 -0.001 0.000 0.272 598 L C 1.330 178.421 176.870 0.368 0.000 1.197 598 L CA 0.844 55.754 54.840 0.117 0.000 0.836 598 L CB 0.651 42.522 42.059 -0.312 0.000 1.105 598 L HN 0.689 nan 8.230 nan 0.000 0.477 599 G N 0.838 109.911 108.800 0.455 0.000 2.153 599 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.252 599 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.252 599 G C 0.556 175.560 174.900 0.172 0.000 0.994 599 G CA 0.693 46.025 45.100 0.387 0.000 0.698 599 G HN 0.818 nan 8.290 nan 0.000 0.521 600 T N -2.984 111.617 114.554 0.079 0.000 3.507 600 T HA 0.446 4.795 4.350 -0.001 0.000 0.197 600 T C 1.718 176.384 174.700 -0.057 0.000 0.847 600 T CA 1.014 63.038 62.100 -0.126 0.000 1.531 600 T CB -0.169 68.406 68.868 -0.489 0.000 1.834 600 T HN 0.109 nan 8.240 nan 0.000 0.433 601 F N 3.341 123.344 119.950 0.089 0.000 2.171 601 F HA 0.061 4.587 4.527 -0.001 0.000 0.300 601 F C 2.843 178.691 175.800 0.079 0.000 1.090 601 F CA 1.132 59.172 58.000 0.067 0.000 1.293 601 F CB -0.779 38.255 39.000 0.055 0.000 1.013 601 F HN 0.495 nan 8.300 nan 0.000 0.486 602 E N 1.247 121.615 120.200 0.280 0.000 2.150 602 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 602 E C 2.311 179.042 176.600 0.218 0.000 0.985 602 E CA 1.651 58.194 56.400 0.239 0.000 0.814 602 E CB -1.222 28.627 29.700 0.247 0.000 0.752 602 E HN 0.360 nan 8.360 nan 0.000 0.466 603 V N 0.612 120.634 119.914 0.180 0.000 2.323 603 V HA -0.171 3.949 4.120 -0.001 0.000 0.244 603 V C 2.204 178.357 176.094 0.099 0.000 1.041 603 V CA 2.011 64.377 62.300 0.110 0.000 1.025 603 V CB -0.359 31.477 31.823 0.022 0.000 0.656 603 V HN 0.156 nan 8.190 nan 0.000 0.451 604 E N 0.015 120.282 120.200 0.111 0.000 2.065 604 E HA -0.297 4.052 4.350 -0.001 0.000 0.201 604 E C 1.940 178.584 176.600 0.072 0.000 1.016 604 E CA 2.094 58.555 56.400 0.102 0.000 0.818 604 E CB -0.218 29.578 29.700 0.160 0.000 0.749 604 E HN 0.704 nan 8.360 nan 0.000 0.453 605 D N -0.287 120.174 120.400 0.101 0.000 2.269 605 D HA -0.116 4.524 4.640 -0.001 0.000 0.208 605 D C 1.882 178.178 176.300 -0.006 0.000 0.963 605 D CA 0.680 54.714 54.000 0.056 0.000 0.864 605 D CB -0.100 40.789 40.800 0.149 0.000 0.936 605 D HN 0.058 nan 8.370 nan 0.000 0.505 606 Q N 0.236 120.101 119.800 0.109 0.000 2.123 606 Q HA 0.043 4.382 4.340 -0.001 0.000 0.199 606 Q C 2.164 178.225 176.000 0.101 0.000 0.966 606 Q CA 0.647 56.526 55.803 0.126 0.000 0.845 606 Q CB -0.105 28.745 28.738 0.186 0.000 0.907 606 Q HN 0.319 nan 8.270 nan 0.000 0.439 607 I N 0.137 120.778 120.570 0.118 0.000 2.113 607 I HA -0.244 3.925 4.170 -0.001 0.000 0.238 607 I C 2.197 178.287 176.117 -0.044 0.000 1.070 607 I CA 1.085 62.485 61.300 0.168 0.000 1.332 607 I CB -0.315 37.770 38.000 0.142 0.000 1.044 607 I HN 0.183 nan 8.210 nan 0.000 0.402 608 E N 1.061 121.185 120.200 -0.127 0.000 2.097 608 E HA -0.263 4.087 4.350 -0.001 0.000 0.196 608 E C 2.275 178.603 176.600 -0.454 0.000 1.000 608 E CA 1.661 57.919 56.400 -0.238 0.000 0.804 608 E CB -0.338 29.236 29.700 -0.210 0.000 0.740 608 E HN 0.493 nan 8.360 nan 0.000 0.454 609 A N 1.154 123.543 122.820 -0.720 0.000 1.892 609 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 609 A C 2.431 179.411 177.584 -1.007 0.000 1.188 609 A CA 2.678 53.953 52.037 -1.269 0.000 0.631 609 A CB -0.731 17.312 19.000 -1.595 0.000 0.822 609 A HN 0.315 nan 8.150 nan 0.000 0.447 610 A N -0.887 121.708 122.820 -0.375 0.000 1.898 610 A HA -0.140 4.180 4.320 -0.001 0.000 0.216 610 A C 2.261 179.722 177.584 -0.204 0.000 1.181 610 A CA 1.588 53.560 52.037 -0.107 0.000 0.620 610 A CB -0.481 18.433 19.000 -0.143 0.000 0.819 610 A HN 0.528 nan 8.150 nan 0.000 0.442 611 R N -0.757 119.587 120.500 -0.260 0.000 2.083 611 R HA -0.147 4.192 4.340 -0.001 0.000 0.237 611 R C 2.452 178.618 176.300 -0.224 0.000 1.137 611 R CA 1.650 57.620 56.100 -0.217 0.000 0.951 611 R CB -0.216 29.971 30.300 -0.187 0.000 0.851 611 R HN 0.586 nan 8.270 nan 0.000 0.434 612 Q N -0.676 118.925 119.800 -0.332 0.000 2.170 612 Q HA -0.154 4.186 4.340 -0.001 0.000 0.203 612 Q C 1.953 177.794 176.000 -0.266 0.000 0.976 612 Q CA 1.211 56.810 55.803 -0.339 0.000 0.858 612 Q CB -0.100 28.351 28.738 -0.478 0.000 0.907 612 Q HN 0.300 nan 8.270 nan 0.000 0.433 613 F N 1.141 120.945 119.950 -0.243 0.000 2.186 613 F HA -0.129 4.397 4.527 -0.001 0.000 0.299 613 F C 2.705 178.362 175.800 -0.238 0.000 1.090 613 F CA 1.272 59.129 58.000 -0.238 0.000 1.307 613 F CB -0.900 38.001 39.000 -0.166 0.000 1.019 613 F HN 0.069 nan 8.300 nan 0.000 0.489 614 S N -0.765 114.925 115.700 -0.018 0.000 2.406 614 S HA -0.086 4.384 4.470 -0.001 0.000 0.228 614 S C 1.833 176.349 174.600 -0.139 0.000 1.020 614 S CA 0.523 58.674 58.200 -0.081 0.000 0.965 614 S CB -0.292 62.858 63.200 -0.084 0.000 0.798 614 S HN 0.145 nan 8.310 nan 0.000 0.488 615 K N 1.175 121.489 120.400 -0.143 0.000 2.439 615 K HA 0.238 4.558 4.320 -0.001 0.000 0.197 615 K C 1.551 178.036 176.600 -0.191 0.000 1.041 615 K CA 0.480 56.680 56.287 -0.145 0.000 0.970 615 K CB -0.474 31.952 32.500 -0.123 0.000 0.773 615 K HN 0.507 nan 8.250 nan 0.000 0.479 616 M N -0.610 118.821 119.600 -0.282 0.000 2.686 616 M HA -0.048 4.432 4.480 -0.001 0.000 0.246 616 M C 1.049 177.013 176.300 -0.560 0.000 1.096 616 M CA 0.980 56.024 55.300 -0.427 0.000 1.076 616 M CB -0.031 32.242 32.600 -0.545 0.000 1.504 616 M HN 0.389 nan 8.290 nan 0.000 0.524 617 G N 0.642 109.202 108.800 -0.400 0.000 2.195 617 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.246 617 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.246 617 G C 0.365 175.195 174.900 -0.115 0.000 0.984 617 G CA 0.347 45.315 45.100 -0.219 0.000 0.633 617 G HN 0.597 nan 8.290 nan 0.000 0.525 618 F N 0.053 120.050 119.950 0.079 0.000 2.698 618 F HA 0.769 5.296 4.527 -0.000 0.000 0.304 618 F C 0.029 175.923 175.800 0.156 0.000 1.108 618 F CA -1.817 56.258 58.000 0.125 0.000 1.263 618 F CB -0.149 38.970 39.000 0.197 0.000 1.013 618 F HN 0.093 nan 8.300 nan 0.000 0.532 619 V N 1.281 121.301 119.914 0.176 0.000 2.581 619 V HA 0.315 4.435 4.120 -0.001 0.000 0.303 619 V C -0.814 175.299 176.094 0.032 0.000 1.041 619 V CA -0.714 61.670 62.300 0.140 0.000 0.907 619 V CB 1.905 33.764 31.823 0.060 0.000 0.994 619 V HN 0.142 nan 8.190 nan 0.000 0.442 620 D N 3.379 123.776 120.400 -0.005 0.000 2.347 620 D HA 0.086 4.726 4.640 -0.001 0.000 0.235 620 D C 0.943 177.204 176.300 -0.065 0.000 1.149 620 D CA -0.399 53.568 54.000 -0.054 0.000 0.850 620 D CB 0.828 41.572 40.800 -0.093 0.000 1.061 620 D HN 0.603 nan 8.370 nan 0.000 0.487 621 N N 3.763 122.428 118.700 -0.059 0.000 2.515 621 N HA -0.091 4.648 4.740 -0.001 0.000 0.191 621 N C 0.527 176.002 175.510 -0.058 0.000 1.182 621 N CA 0.288 53.297 53.050 -0.069 0.000 0.879 621 N CB 0.120 38.561 38.487 -0.077 0.000 0.984 621 N HN 0.375 nan 8.380 nan 0.000 0.453 622 K N 0.094 120.467 120.400 -0.046 0.000 2.354 622 K HA 0.196 4.515 4.320 -0.001 0.000 0.194 622 K C 0.100 176.707 176.600 0.012 0.000 1.038 622 K CA 0.071 56.348 56.287 -0.017 0.000 1.052 622 K CB 0.715 33.206 32.500 -0.015 0.000 0.861 622 K HN 0.193 nan 8.250 nan 0.000 0.535 623 R N 1.187 121.661 120.500 -0.043 0.000 2.748 623 R HA 0.371 4.710 4.340 -0.001 0.000 0.283 623 R C -0.797 175.435 176.300 -0.114 0.000 1.507 623 R CA -0.134 55.915 56.100 -0.085 0.000 1.666 623 R CB 0.510 30.586 30.300 -0.372 0.000 1.237 623 R HN -0.034 nan 8.270 nan 0.000 0.633 624 I N 1.134 121.781 120.570 0.128 0.000 2.362 624 I HA 0.493 4.662 4.170 -0.001 0.000 0.289 624 I C 0.105 176.513 176.117 0.485 0.000 0.994 624 I CA -0.641 60.784 61.300 0.208 0.000 1.158 624 I CB 1.844 39.839 38.000 -0.009 0.000 1.315 624 I HN 0.282 nan 8.210 nan 0.000 0.451 625 A N 7.102 130.307 122.820 0.643 0.000 2.344 625 A HA 0.951 5.271 4.320 -0.001 0.000 0.307 625 A C -0.983 176.943 177.584 0.569 0.000 1.151 625 A CA -0.687 51.699 52.037 0.581 0.000 0.842 625 A CB 1.990 21.228 19.000 0.397 0.000 1.350 625 A HN 0.731 nan 8.150 nan 0.000 0.459 626 I N 0.026 120.857 120.570 0.434 0.000 2.743 626 I HA 0.597 4.767 4.170 -0.001 0.000 0.292 626 I C -2.088 174.291 176.117 0.436 0.000 1.343 626 I CA -0.532 60.976 61.300 0.347 0.000 1.038 626 I CB 1.531 39.509 38.000 -0.035 0.000 1.311 626 I HN 0.945 nan 8.210 nan 0.000 0.426 627 W N 7.152 128.591 121.300 0.231 0.000 3.107 627 W HA 0.891 5.550 4.660 -0.001 0.000 0.331 627 W C -1.493 175.175 176.519 0.248 0.000 1.204 627 W CA -1.312 56.178 57.345 0.241 0.000 1.184 627 W CB 1.296 30.949 29.460 0.321 0.000 1.421 627 W HN 0.797 nan 8.180 nan 0.000 0.544 628 G N 1.468 110.263 108.800 -0.009 0.000 2.733 628 G HA2 0.476 4.436 3.960 -0.001 0.000 0.297 628 G HA3 0.476 4.436 3.960 -0.001 0.000 0.297 628 G C -2.554 172.292 174.900 -0.091 0.000 1.422 628 G CA -0.649 44.300 45.100 -0.252 0.000 0.942 628 G HN 0.580 nan 8.290 nan 0.000 0.510 629 W N 1.541 122.638 121.300 -0.338 0.000 2.570 629 W HA 0.613 5.273 4.660 -0.001 0.000 0.337 629 W C 0.780 177.230 176.519 -0.116 0.000 1.067 629 W CA 0.289 57.524 57.345 -0.183 0.000 1.229 629 W CB 1.690 31.031 29.460 -0.198 0.000 1.355 629 W HN 0.914 nan 8.180 nan 0.000 0.555 630 S N 1.417 117.301 115.700 0.306 0.000 4.069 630 S HA -0.413 4.057 4.470 -0.001 0.000 0.626 630 S C 0.872 175.598 174.600 0.210 0.000 2.000 630 S CA 1.437 59.814 58.200 0.295 0.000 4.174 630 S CB -1.676 61.705 63.200 0.301 0.000 0.210 630 S HN 0.727 nan 8.310 nan 0.000 0.602 631 Y N 2.526 122.914 120.300 0.147 0.000 2.207 631 Y HA -0.071 4.478 4.550 -0.001 0.000 0.287 631 Y C 2.348 178.448 175.900 0.333 0.000 1.156 631 Y CA 2.548 60.811 58.100 0.273 0.000 1.182 631 Y CB -1.034 37.683 38.460 0.429 0.000 0.979 631 Y HN 0.545 nan 8.280 nan 0.000 0.521 632 G N -0.925 108.165 108.800 0.484 0.000 2.442 632 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 632 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 632 G C 1.924 176.927 174.900 0.171 0.000 1.141 632 G CA 0.808 46.096 45.100 0.314 0.000 0.763 632 G HN 0.600 nan 8.290 nan 0.000 0.554 633 G N 0.025 108.907 108.800 0.136 0.000 2.421 633 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.216 633 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.216 633 G C 1.597 176.551 174.900 0.090 0.000 1.171 633 G CA 1.153 46.302 45.100 0.081 0.000 0.775 633 G HN 0.437 nan 8.290 nan 0.000 0.543 634 Y N 1.346 121.600 120.300 -0.076 0.000 2.081 634 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 634 Y C 2.837 178.688 175.900 -0.081 0.000 1.163 634 Y CA 2.085 60.086 58.100 -0.165 0.000 1.135 634 Y CB -0.560 37.664 38.460 -0.393 0.000 0.970 634 Y HN 0.040 nan 8.280 nan 0.000 0.498 635 V N -0.171 119.719 119.914 -0.040 0.000 2.255 635 V HA -0.360 3.759 4.120 -0.001 0.000 0.247 635 V C 2.341 178.370 176.094 -0.108 0.000 1.051 635 V CA 2.517 64.775 62.300 -0.070 0.000 1.018 635 V CB -1.294 30.648 31.823 0.198 0.000 0.641 635 V HN 0.528 nan 8.190 nan 0.000 0.445 636 T N -0.082 114.460 114.554 -0.021 0.000 2.624 636 T HA -0.250 4.099 4.350 -0.001 0.000 0.268 636 T C 2.135 176.795 174.700 -0.067 0.000 1.041 636 T CA 2.159 64.239 62.100 -0.033 0.000 1.159 636 T CB -0.368 68.552 68.868 0.086 0.000 0.863 636 T HN 0.498 nan 8.240 nan 0.000 0.434 637 S N 0.838 116.530 115.700 -0.014 0.000 2.370 637 S HA -0.044 4.425 4.470 -0.001 0.000 0.226 637 S C 2.135 176.658 174.600 -0.130 0.000 1.033 637 S CA 1.027 59.236 58.200 0.015 0.000 1.011 637 S CB -0.304 62.930 63.200 0.056 0.000 0.852 637 S HN 0.330 nan 8.310 nan 0.000 0.457 638 M N 0.713 120.141 119.600 -0.287 0.000 2.213 638 M HA -0.024 4.455 4.480 -0.001 0.000 0.263 638 M C 2.138 178.288 176.300 -0.250 0.000 1.062 638 M CA 0.998 56.109 55.300 -0.315 0.000 1.105 638 M CB -1.273 31.035 32.600 -0.486 0.000 1.385 638 M HN 0.187 nan 8.290 nan 0.000 0.417 639 V N 0.519 120.281 119.914 -0.253 0.000 2.255 639 V HA -0.206 3.914 4.120 -0.001 0.000 0.243 639 V C 2.416 178.317 176.094 -0.322 0.000 1.038 639 V CA 1.238 63.383 62.300 -0.258 0.000 1.008 639 V CB -0.604 31.013 31.823 -0.344 0.000 0.645 639 V HN 0.382 nan 8.190 nan 0.000 0.449 640 L N 0.654 121.625 121.223 -0.419 0.000 2.450 640 L HA -0.127 4.212 4.340 -0.001 0.000 0.225 640 L C 1.948 178.230 176.870 -0.979 0.000 1.145 640 L CA 1.303 55.805 54.840 -0.564 0.000 0.801 640 L CB -0.653 41.078 42.059 -0.546 0.000 0.924 640 L HN 0.499 nan 8.230 nan 0.000 0.447 641 G N -1.914 106.425 108.800 -0.769 0.000 3.453 641 G HA2 0.030 3.989 3.960 -0.001 0.000 0.263 641 G HA3 0.030 3.989 3.960 -0.001 0.000 0.263 641 G C 1.249 175.977 174.900 -0.287 0.000 1.060 641 G CA 0.516 45.217 45.100 -0.664 0.000 0.793 641 G HN 0.400 nan 8.290 nan 0.000 0.532 642 S N -0.802 114.763 115.700 -0.225 0.000 2.517 642 S HA 0.346 4.816 4.470 -0.001 0.000 0.214 642 S C 1.679 176.235 174.600 -0.073 0.000 0.991 642 S CA 0.703 58.838 58.200 -0.109 0.000 0.906 642 S CB 0.159 63.319 63.200 -0.067 0.000 0.789 642 S HN 1.310 nan 8.310 nan 0.000 0.513 643 G N 2.062 110.806 108.800 -0.094 0.000 2.314 643 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.292 643 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.292 643 G C 0.653 175.543 174.900 -0.016 0.000 1.059 643 G CA 0.599 45.667 45.100 -0.053 0.000 0.982 643 G HN 1.143 nan 8.290 nan 0.000 0.505 644 S N -1.198 114.507 115.700 0.009 0.000 2.503 644 S HA 0.386 4.856 4.470 -0.001 0.000 0.217 644 S C 2.360 176.967 174.600 0.012 0.000 0.999 644 S CA 1.290 59.505 58.200 0.024 0.000 0.914 644 S CB 0.207 63.450 63.200 0.072 0.000 0.782 644 S HN 2.354 nan 8.310 nan 0.000 0.520 645 G N 0.626 109.440 108.800 0.024 0.000 2.189 645 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.267 645 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.267 645 G C 0.772 175.660 174.900 -0.019 0.000 0.975 645 G CA 0.513 45.619 45.100 0.010 0.000 0.644 645 G HN 0.702 nan 8.290 nan 0.000 0.537 646 V N -0.737 119.141 119.914 -0.060 0.000 2.719 646 V HA 0.287 4.407 4.120 -0.001 0.000 0.252 646 V C 1.078 176.927 176.094 -0.409 0.000 1.065 646 V CA 1.322 63.450 62.300 -0.288 0.000 1.086 646 V CB -0.324 31.215 31.823 -0.474 0.000 0.700 646 V HN 0.309 nan 8.190 nan 0.000 0.467 647 F N -0.247 119.725 119.950 0.037 0.000 2.469 647 F HA 0.424 4.951 4.527 -0.000 0.000 0.332 647 F C 1.058 176.908 175.800 0.083 0.000 1.103 647 F CA -0.565 57.483 58.000 0.080 0.000 0.979 647 F CB 1.639 40.686 39.000 0.079 0.000 1.137 647 F HN -0.289 nan 8.300 nan 0.000 0.463 648 K N 1.546 122.120 120.400 0.290 0.000 2.128 648 K HA 0.105 4.425 4.320 -0.001 0.000 0.202 648 K C 0.203 176.939 176.600 0.227 0.000 1.050 648 K CA 0.924 57.341 56.287 0.215 0.000 0.966 648 K CB 0.273 32.895 32.500 0.204 0.000 0.759 648 K HN 0.809 nan 8.250 nan 0.000 0.454 649 c N -2.524 116.242 118.600 0.276 0.000 3.321 649 c HA 0.945 5.514 4.570 -0.001 0.000 0.363 649 c C -0.007 174.310 174.090 0.378 0.000 1.705 649 c CA -0.402 56.109 56.329 0.303 0.000 1.298 649 c CB 1.041 43.636 42.510 0.142 0.000 2.086 649 c HN 0.424 nan 8.230 nan 0.000 0.438 650 G N -0.342 108.771 108.800 0.522 0.000 2.411 650 G HA2 0.577 4.537 3.960 -0.001 0.000 0.295 650 G HA3 0.577 4.537 3.960 -0.001 0.000 0.295 650 G C -2.089 173.077 174.900 0.443 0.000 1.542 650 G CA -0.635 44.746 45.100 0.469 0.000 0.814 650 G HN 0.970 nan 8.290 nan 0.000 0.557 651 I N 0.898 121.686 120.570 0.364 0.000 2.447 651 I HA 0.625 4.794 4.170 -0.001 0.000 0.287 651 I C 0.289 176.534 176.117 0.214 0.000 1.023 651 I CA -0.938 60.464 61.300 0.169 0.000 1.083 651 I CB 2.205 40.308 38.000 0.172 0.000 1.245 651 I HN 0.726 nan 8.210 nan 0.000 0.434 652 A N 6.635 129.475 122.820 0.034 0.000 2.287 652 A HA 0.786 5.106 4.320 -0.001 0.000 0.317 652 A C -0.726 176.762 177.584 -0.160 0.000 1.220 652 A CA -0.497 51.557 52.037 0.027 0.000 0.835 652 A CB 1.009 20.096 19.000 0.146 0.000 1.180 652 A HN 0.443 nan 8.150 nan 0.000 0.500 653 V N 2.146 121.916 119.914 -0.241 0.000 2.409 653 V HA 0.576 4.695 4.120 -0.001 0.000 0.291 653 V C 0.890 176.571 176.094 -0.688 0.000 1.020 653 V CA 0.215 62.151 62.300 -0.608 0.000 0.848 653 V CB 0.830 32.007 31.823 -1.077 0.000 0.990 653 V HN 2.050 nan 8.190 nan 0.000 0.430 654 A N 5.753 128.136 122.820 -0.729 0.000 2.364 654 A HA -0.105 4.215 4.320 -0.001 0.000 0.288 654 A C -1.905 175.524 177.584 -0.258 0.000 1.433 654 A CA 0.348 51.891 52.037 -0.824 0.000 0.757 654 A CB -1.487 17.194 19.000 -0.532 0.000 1.098 654 A HN 0.603 nan 8.150 nan 0.000 0.380 655 P HA 0.417 nan 4.420 nan 0.000 0.282 655 P C 0.356 177.637 177.300 -0.033 0.000 1.249 655 P CA -0.243 62.839 63.100 -0.029 0.000 0.806 655 P CB 1.240 32.945 31.700 0.008 0.000 0.984 656 V N 2.397 122.211 119.914 -0.167 0.000 2.872 656 V HA -0.000 4.119 4.120 -0.001 0.000 0.307 656 V C 1.802 177.781 176.094 -0.192 0.000 1.072 656 V CA 1.491 63.563 62.300 -0.381 0.000 1.148 656 V CB 0.512 31.714 31.823 -1.036 0.000 0.954 656 V HN 0.881 nan 8.190 nan 0.000 0.490 657 S N 3.533 119.132 115.700 -0.169 0.000 2.670 657 S HA 0.256 4.726 4.470 -0.001 0.000 0.241 657 S C 0.415 174.914 174.600 -0.167 0.000 1.077 657 S CA -0.294 57.871 58.200 -0.059 0.000 0.899 657 S CB 0.395 63.609 63.200 0.023 0.000 0.835 657 S HN 0.853 nan 8.310 nan 0.000 0.481 658 R N -1.227 119.066 120.500 -0.345 0.000 2.626 658 R HA 0.533 4.873 4.340 -0.001 0.000 0.274 658 R C -0.858 175.146 176.300 -0.494 0.000 1.031 658 R CA -0.918 54.894 56.100 -0.478 0.000 0.898 658 R CB 0.037 30.034 30.300 -0.504 0.000 1.222 658 R HN 0.146 nan 8.270 nan 0.000 0.455 659 W N 1.090 122.321 121.300 -0.114 0.000 2.425 659 W HA 0.030 4.690 4.660 -0.001 0.000 0.277 659 W C 1.226 177.880 176.519 0.224 0.000 1.231 659 W CA 0.760 58.109 57.345 0.007 0.000 1.248 659 W CB 0.219 29.565 29.460 -0.190 0.000 1.117 659 W HN 0.751 nan 8.180 nan 0.000 0.568 660 E N -0.837 119.560 120.200 0.329 0.000 2.333 660 E HA -0.207 4.142 4.350 -0.001 0.000 0.198 660 E C 1.328 178.080 176.600 0.254 0.000 1.007 660 E CA 0.947 57.479 56.400 0.220 0.000 0.845 660 E CB -0.246 29.471 29.700 0.028 0.000 0.766 660 E HN 0.363 nan 8.360 nan 0.000 0.507 661 Y N -1.527 118.889 120.300 0.195 0.000 2.519 661 Y HA 0.044 4.594 4.550 -0.001 0.000 0.287 661 Y C 0.650 176.697 175.900 0.245 0.000 1.128 661 Y CA -0.140 58.051 58.100 0.153 0.000 1.282 661 Y CB -0.374 38.117 38.460 0.051 0.000 1.027 661 Y HN 0.017 nan 8.280 nan 0.000 0.551 662 Y N 1.661 122.147 120.300 0.310 0.000 2.458 662 Y HA 0.302 4.851 4.550 -0.001 0.000 0.322 662 Y C 0.227 176.349 175.900 0.370 0.000 1.259 662 Y CA -2.244 56.047 58.100 0.318 0.000 1.302 662 Y CB 0.438 39.096 38.460 0.329 0.000 1.314 662 Y HN 0.164 nan 8.280 nan 0.000 0.509 663 D N -0.639 119.529 120.400 -0.386 0.000 2.357 663 D HA 0.115 4.754 4.640 -0.001 0.000 0.242 663 D C 0.958 177.236 176.300 -0.036 0.000 1.153 663 D CA 0.303 54.100 54.000 -0.338 0.000 0.918 663 D CB 0.899 41.264 40.800 -0.726 0.000 1.181 663 D HN 0.482 nan 8.370 nan 0.000 0.435 664 S N 1.002 116.690 115.700 -0.021 0.000 2.353 664 S HA -0.247 4.223 4.470 -0.001 0.000 0.222 664 S C 1.915 176.546 174.600 0.053 0.000 1.035 664 S CA 1.320 59.562 58.200 0.070 0.000 1.025 664 S CB -1.071 62.177 63.200 0.080 0.000 0.902 664 S HN 0.443 nan 8.310 nan 0.000 0.440 665 V N 0.731 120.617 119.914 -0.047 0.000 2.295 665 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 665 V C 2.311 178.331 176.094 -0.122 0.000 1.049 665 V CA 2.153 64.336 62.300 -0.195 0.000 1.024 665 V CB -1.121 30.435 31.823 -0.444 0.000 0.648 665 V HN 0.591 nan 8.190 nan 0.000 0.447 666 Y N 1.487 121.743 120.300 -0.073 0.000 2.153 666 Y HA -0.204 4.346 4.550 -0.001 0.000 0.289 666 Y C 2.717 178.684 175.900 0.111 0.000 1.127 666 Y CA 2.258 60.411 58.100 0.088 0.000 1.131 666 Y CB -0.542 38.133 38.460 0.358 0.000 0.995 666 Y HN 0.237 nan 8.280 nan 0.000 0.505 667 T N 0.302 115.080 114.554 0.374 0.000 2.674 667 T HA -0.192 4.158 4.350 -0.001 0.000 0.265 667 T C 1.556 176.255 174.700 -0.002 0.000 1.039 667 T CA 1.906 64.162 62.100 0.259 0.000 1.150 667 T CB -0.366 68.792 68.868 0.484 0.000 0.864 667 T HN 0.425 nan 8.240 nan 0.000 0.427 668 E N 0.707 120.934 120.200 0.044 0.000 2.153 668 E HA -0.111 4.238 4.350 -0.001 0.000 0.194 668 E C 2.341 178.838 176.600 -0.171 0.000 0.988 668 E CA 0.566 56.977 56.400 0.019 0.000 0.811 668 E CB -0.149 29.601 29.700 0.084 0.000 0.746 668 E HN 0.322 nan 8.360 nan 0.000 0.466 669 R N 0.133 120.389 120.500 -0.408 0.000 2.113 669 R HA -0.216 4.123 4.340 -0.001 0.000 0.244 669 R C 1.423 177.213 176.300 -0.851 0.000 1.142 669 R CA 1.820 57.471 56.100 -0.748 0.000 0.953 669 R CB -0.107 29.386 30.300 -1.346 0.000 0.860 669 R HN 0.263 nan 8.270 nan 0.000 0.438 670 Y N -2.328 117.666 120.300 -0.510 0.000 2.509 670 Y HA 0.192 4.741 4.550 -0.001 0.000 0.270 670 Y C 1.736 177.456 175.900 -0.301 0.000 1.103 670 Y CA 0.055 57.857 58.100 -0.496 0.000 1.278 670 Y CB 0.415 38.442 38.460 -0.721 0.000 1.087 670 Y HN -0.007 nan 8.280 nan 0.000 0.542 671 M N -0.587 118.920 119.600 -0.154 0.000 2.331 671 M HA 0.351 4.830 4.480 -0.001 0.000 0.266 671 M C 1.127 177.467 176.300 0.068 0.000 1.055 671 M CA 0.779 55.992 55.300 -0.145 0.000 1.048 671 M CB -0.246 32.084 32.600 -0.450 0.000 1.460 671 M HN 0.330 nan 8.290 nan 0.000 0.519 672 G N 1.886 110.731 108.800 0.076 0.000 2.645 672 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.246 672 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.246 672 G C -0.724 174.318 174.900 0.236 0.000 1.322 672 G CA -0.770 44.408 45.100 0.130 0.000 0.898 672 G HN 0.247 nan 8.290 nan 0.000 0.573 673 L N 2.409 123.725 121.223 0.156 0.000 2.350 673 L HA 0.507 4.846 4.340 -0.001 0.000 0.275 673 L C -1.114 175.727 176.870 -0.047 0.000 1.099 673 L CA -1.745 53.134 54.840 0.065 0.000 0.808 673 L CB 1.176 43.247 42.059 0.019 0.000 1.149 673 L HN 0.432 nan 8.230 nan 0.000 0.442 674 P HA 0.074 nan 4.420 nan 0.000 0.235 674 P C -0.397 176.748 177.300 -0.258 0.000 1.725 674 P CA -0.238 62.449 63.100 -0.689 0.000 0.894 674 P CB -0.536 30.455 31.700 -1.182 0.000 1.704 675 T N -2.979 111.509 114.554 -0.111 0.000 2.928 675 T HA 0.359 4.708 4.350 -0.001 0.000 0.284 675 T C -1.598 173.094 174.700 -0.014 0.000 1.008 675 T CA -2.269 59.800 62.100 -0.052 0.000 1.057 675 T CB 1.302 70.153 68.868 -0.028 0.000 1.018 675 T HN -0.165 nan 8.240 nan 0.000 0.493 676 P HA -0.109 nan 4.420 nan 0.000 0.218 676 P C 0.915 178.226 177.300 0.019 0.000 1.148 676 P CA 1.163 64.271 63.100 0.013 0.000 0.822 676 P CB 0.190 31.895 31.700 0.008 0.000 0.784 677 E N -0.340 119.867 120.200 0.012 0.000 2.077 677 E HA -0.143 4.206 4.350 -0.001 0.000 0.193 677 E C 1.820 178.435 176.600 0.024 0.000 0.989 677 E CA 1.189 57.597 56.400 0.015 0.000 0.800 677 E CB -0.596 29.108 29.700 0.007 0.000 0.746 677 E HN 0.312 nan 8.360 nan 0.000 0.452 678 D N -0.446 119.973 120.400 0.030 0.000 2.384 678 D HA 0.030 4.670 4.640 -0.001 0.000 0.268 678 D C 0.525 176.874 176.300 0.081 0.000 1.288 678 D CA 0.472 54.502 54.000 0.050 0.000 1.013 678 D CB -0.048 40.783 40.800 0.052 0.000 0.919 678 D HN 0.018 nan 8.370 nan 0.000 0.270 679 N N -0.284 118.493 118.700 0.129 0.000 2.299 679 N HA 0.020 4.759 4.740 -0.001 0.000 0.246 679 N C 1.348 177.036 175.510 0.297 0.000 1.254 679 N CA -0.175 53.002 53.050 0.211 0.000 0.879 679 N CB 0.691 39.337 38.487 0.265 0.000 1.214 679 N HN 0.013 nan 8.380 nan 0.000 0.510 680 L N 1.345 122.662 121.223 0.156 0.000 2.051 680 L HA -0.179 4.161 4.340 -0.001 0.000 0.214 680 L C 1.255 178.228 176.870 0.171 0.000 1.076 680 L CA 2.047 56.951 54.840 0.108 0.000 0.758 680 L CB -0.501 41.565 42.059 0.011 0.000 0.890 680 L HN 0.126 nan 8.230 nan 0.000 0.433 681 D N -1.836 118.654 120.400 0.149 0.000 2.123 681 D HA -0.236 4.404 4.640 -0.001 0.000 0.196 681 D C 2.106 178.513 176.300 0.179 0.000 0.992 681 D CA 1.626 55.707 54.000 0.135 0.000 0.833 681 D CB -0.083 40.782 40.800 0.108 0.000 0.954 681 D HN 0.599 nan 8.370 nan 0.000 0.455 682 H N -1.179 117.967 119.070 0.127 0.000 2.428 682 H HA -0.036 4.519 4.556 -0.001 0.000 0.296 682 H C 1.565 176.973 175.328 0.134 0.000 1.062 682 H CA 1.259 57.363 56.048 0.093 0.000 1.350 682 H CB -0.343 29.441 29.762 0.035 0.000 1.403 682 H HN 0.206 nan 8.280 nan 0.000 0.533 683 Y N 0.403 120.688 120.300 -0.025 0.000 2.151 683 Y HA -0.216 4.334 4.550 -0.001 0.000 0.284 683 Y C 2.379 178.248 175.900 -0.053 0.000 1.166 683 Y CA 1.625 59.710 58.100 -0.024 0.000 1.163 683 Y CB 0.113 38.598 38.460 0.042 0.000 0.974 683 Y HN 0.151 nan 8.280 nan 0.000 0.511 684 R N -0.473 120.105 120.500 0.131 0.000 2.200 684 R HA -0.032 4.308 4.340 -0.001 0.000 0.208 684 R C 1.233 177.542 176.300 0.016 0.000 1.033 684 R CA 0.845 56.980 56.100 0.058 0.000 1.000 684 R CB -0.588 29.744 30.300 0.054 0.000 0.906 684 R HN 0.393 nan 8.270 nan 0.000 0.462 685 N N 0.128 118.823 118.700 -0.008 0.000 2.422 685 N HA -0.061 4.679 4.740 -0.001 0.000 0.181 685 N C 0.464 175.944 175.510 -0.051 0.000 1.080 685 N CA 0.492 53.537 53.050 -0.009 0.000 0.893 685 N CB 0.401 38.920 38.487 0.053 0.000 0.973 685 N HN 0.078 nan 8.380 nan 0.000 0.456 686 S N -0.872 114.753 115.700 -0.125 0.000 2.537 686 S HA 0.122 4.592 4.470 -0.001 0.000 0.246 686 S C 0.359 175.011 174.600 0.087 0.000 1.036 686 S CA -0.769 57.408 58.200 -0.038 0.000 1.041 686 S CB -0.593 62.502 63.200 -0.175 0.000 0.799 686 S HN 0.155 nan 8.310 nan 0.000 0.456 687 T N -1.678 112.884 114.554 0.012 0.000 2.922 687 T HA 0.524 4.873 4.350 -0.001 0.000 0.285 687 T C 1.284 175.969 174.700 -0.025 0.000 1.005 687 T CA -0.655 61.435 62.100 -0.015 0.000 1.061 687 T CB 1.409 70.244 68.868 -0.054 0.000 1.007 687 T HN -0.032 nan 8.240 nan 0.000 0.502 688 V N 2.685 122.575 119.914 -0.040 0.000 2.358 688 V HA -0.144 3.975 4.120 -0.001 0.000 0.246 688 V C 2.713 178.781 176.094 -0.044 0.000 1.047 688 V CA 1.754 64.017 62.300 -0.061 0.000 1.035 688 V CB -0.838 30.941 31.823 -0.074 0.000 0.658 688 V HN 0.894 nan 8.190 nan 0.000 0.452 689 M N 1.105 120.673 119.600 -0.054 0.000 2.296 689 M HA -0.076 4.404 4.480 -0.001 0.000 0.265 689 M C 2.387 178.670 176.300 -0.028 0.000 1.064 689 M CA 2.113 57.377 55.300 -0.060 0.000 1.109 689 M CB -2.035 30.534 32.600 -0.051 0.000 1.396 689 M HN 0.540 nan 8.290 nan 0.000 0.430 690 S N 1.112 116.803 115.700 -0.015 0.000 2.440 690 S HA -0.115 4.355 4.470 -0.001 0.000 0.238 690 S C 1.723 176.330 174.600 0.012 0.000 1.010 690 S CA 0.818 59.017 58.200 -0.001 0.000 0.972 690 S CB -0.501 62.699 63.200 -0.001 0.000 0.774 690 S HN 0.634 nan 8.310 nan 0.000 0.501 691 R N 0.480 120.995 120.500 0.025 0.000 2.515 691 R HA 0.511 4.850 4.340 -0.001 0.000 0.294 691 R C 1.954 178.344 176.300 0.150 0.000 1.021 691 R CA 0.423 56.556 56.100 0.055 0.000 1.081 691 R CB -0.183 30.133 30.300 0.026 0.000 1.263 691 R HN 0.475 nan 8.270 nan 0.000 0.557 692 A N 1.108 123.985 122.820 0.096 0.000 1.908 692 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 692 A C 2.018 179.696 177.584 0.157 0.000 1.181 692 A CA 1.767 53.855 52.037 0.086 0.000 0.627 692 A CB -0.197 18.787 19.000 -0.027 0.000 0.818 692 A HN 0.293 nan 8.150 nan 0.000 0.445 693 E N 0.699 120.957 120.200 0.097 0.000 2.085 693 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 693 E C 1.629 178.282 176.600 0.087 0.000 0.994 693 E CA 1.948 58.397 56.400 0.081 0.000 0.801 693 E CB -0.575 29.154 29.700 0.049 0.000 0.743 693 E HN 0.793 nan 8.360 nan 0.000 0.453 694 N N -1.091 117.644 118.700 0.059 0.000 2.519 694 N HA -0.113 4.626 4.740 -0.001 0.000 0.186 694 N C 1.027 176.499 175.510 -0.063 0.000 1.062 694 N CA 0.341 53.379 53.050 -0.020 0.000 0.910 694 N CB -0.180 38.251 38.487 -0.094 0.000 0.958 694 N HN 0.140 nan 8.380 nan 0.000 0.445 695 F N 1.646 121.557 119.950 -0.064 0.000 2.451 695 F HA 0.011 4.537 4.527 -0.001 0.000 0.299 695 F C 2.004 177.812 175.800 0.013 0.000 1.101 695 F CA 0.703 58.661 58.000 -0.070 0.000 1.436 695 F CB 0.053 38.965 39.000 -0.147 0.000 1.074 695 F HN -0.082 nan 8.300 nan 0.000 0.553 696 K N -0.213 120.290 120.400 0.172 0.000 2.286 696 K HA -0.192 4.128 4.320 -0.001 0.000 0.203 696 K C 1.386 178.048 176.600 0.105 0.000 1.045 696 K CA 0.943 57.310 56.287 0.133 0.000 0.935 696 K CB -0.186 32.370 32.500 0.094 0.000 0.737 696 K HN 0.320 nan 8.250 nan 0.000 0.460 697 Q N 0.217 120.057 119.800 0.067 0.000 2.280 697 Q HA 0.054 4.393 4.340 -0.001 0.000 0.201 697 Q C 0.399 176.438 176.000 0.066 0.000 0.890 697 Q CA 0.140 55.974 55.803 0.051 0.000 0.947 697 Q CB 0.609 29.359 28.738 0.020 0.000 1.081 697 Q HN 0.178 nan 8.270 nan 0.000 0.502 698 V N -3.273 116.699 119.914 0.098 0.000 3.114 698 V HA 0.526 4.646 4.120 -0.001 0.000 0.308 698 V C -0.789 175.456 176.094 0.252 0.000 1.168 698 V CA -1.326 61.061 62.300 0.145 0.000 1.015 698 V CB 2.300 34.172 31.823 0.081 0.000 1.050 698 V HN -0.064 nan 8.190 nan 0.000 0.433 699 E N 1.746 122.122 120.200 0.294 0.000 2.229 699 E HA 0.485 4.834 4.350 -0.001 0.000 0.283 699 E C -1.730 175.256 176.600 0.643 0.000 1.030 699 E CA -0.260 56.392 56.400 0.420 0.000 0.836 699 E CB 1.432 31.318 29.700 0.309 0.000 1.068 699 E HN 0.675 nan 8.360 nan 0.000 0.401 700 Y N 3.373 123.944 120.300 0.452 0.000 2.425 700 Y HA 0.424 4.974 4.550 -0.001 0.000 0.344 700 Y C -1.599 174.358 175.900 0.095 0.000 0.969 700 Y CA -1.187 57.107 58.100 0.322 0.000 1.052 700 Y CB 1.019 39.697 38.460 0.364 0.000 1.215 700 Y HN 0.430 nan 8.280 nan 0.000 0.451 701 L N 7.755 128.636 121.223 -0.569 0.000 2.349 701 L HA 0.521 4.860 4.340 -0.001 0.000 0.278 701 L C -1.754 174.646 176.870 -0.784 0.000 0.996 701 L CA -0.829 53.554 54.840 -0.760 0.000 0.825 701 L CB 1.385 42.723 42.059 -1.202 0.000 1.243 701 L HN 0.664 nan 8.230 nan 0.000 0.412 702 L N 6.657 127.528 121.223 -0.586 0.000 2.325 702 L HA 0.601 4.940 4.340 -0.001 0.000 0.281 702 L C -0.994 175.741 176.870 -0.224 0.000 1.004 702 L CA -0.485 54.065 54.840 -0.483 0.000 0.823 702 L CB 1.705 43.520 42.059 -0.406 0.000 1.236 702 L HN 0.594 nan 8.230 nan 0.000 0.415 703 I N 3.871 124.315 120.570 -0.209 0.000 2.582 703 I HA 0.492 4.661 4.170 -0.001 0.000 0.292 703 I C -1.072 175.004 176.117 -0.069 0.000 1.066 703 I CA -0.791 60.432 61.300 -0.130 0.000 1.053 703 I CB 2.205 40.084 38.000 -0.201 0.000 1.241 703 I HN 0.521 nan 8.210 nan 0.000 0.421 704 H N 2.858 121.968 119.070 0.067 0.000 3.129 704 H HA 0.336 4.891 4.556 -0.001 0.000 0.342 704 H C -0.648 174.909 175.328 0.381 0.000 1.092 704 H CA -0.522 55.633 56.048 0.178 0.000 1.310 704 H CB 2.432 32.260 29.762 0.110 0.000 1.932 704 H HN 0.806 nan 8.280 nan 0.000 0.507 705 G N 1.242 110.384 108.800 0.570 0.000 2.442 705 G HA2 0.207 4.166 3.960 -0.001 0.000 0.249 705 G HA3 0.207 4.166 3.960 -0.001 0.000 0.249 705 G C 1.145 176.309 174.900 0.440 0.000 1.263 705 G CA 0.282 45.671 45.100 0.481 0.000 0.846 705 G HN 0.652 nan 8.290 nan 0.000 0.555 706 T N -0.760 113.914 114.554 0.200 0.000 3.023 706 T HA 0.117 4.466 4.350 -0.001 0.000 0.266 706 T C 1.753 176.423 174.700 -0.051 0.000 1.093 706 T CA 1.224 63.266 62.100 -0.097 0.000 1.129 706 T CB 0.170 68.923 68.868 -0.191 0.000 0.899 706 T HN 0.688 nan 8.240 nan 0.000 0.491 707 A N 1.161 124.020 122.820 0.065 0.000 2.577 707 A HA 0.299 4.619 4.320 -0.001 0.000 0.280 707 A C 0.502 178.011 177.584 -0.125 0.000 1.331 707 A CA -0.472 51.551 52.037 -0.024 0.000 0.935 707 A CB -0.424 18.845 19.000 0.449 0.000 1.082 707 A HN 0.358 nan 8.150 nan 0.000 0.525 708 D N 1.801 122.173 120.400 -0.047 0.000 2.357 708 D HA -0.047 4.593 4.640 -0.001 0.000 0.265 708 D C 0.677 176.942 176.300 -0.058 0.000 1.334 708 D CA 0.215 54.288 54.000 0.121 0.000 0.984 708 D CB 0.423 41.461 40.800 0.397 0.000 1.077 708 D HN 0.590 nan 8.370 nan 0.000 0.514 709 D N 2.331 122.748 120.400 0.028 0.000 2.310 709 D HA -0.194 4.446 4.640 -0.001 0.000 0.212 709 D C 0.959 177.253 176.300 -0.010 0.000 0.965 709 D CA 0.290 54.299 54.000 0.014 0.000 0.879 709 D CB 0.409 41.192 40.800 -0.028 0.000 0.921 709 D HN 0.256 nan 8.370 nan 0.000 0.510 710 N N 0.646 119.412 118.700 0.110 0.000 2.530 710 N HA -0.055 4.684 4.740 -0.001 0.000 0.216 710 N C -0.105 175.352 175.510 -0.088 0.000 1.031 710 N CA 0.431 53.572 53.050 0.152 0.000 1.063 710 N CB 0.399 39.004 38.487 0.198 0.000 1.346 710 N HN -0.095 nan 8.380 nan 0.000 0.515 711 V N 3.194 123.051 119.914 -0.094 0.000 2.304 711 V HA 0.224 4.344 4.120 -0.001 0.000 0.262 711 V C -0.463 175.675 176.094 0.074 0.000 1.061 711 V CA -0.438 61.855 62.300 -0.013 0.000 0.872 711 V CB -0.550 31.314 31.823 0.069 0.000 1.077 711 V HN 0.289 nan 8.190 nan 0.000 0.480 712 H N 3.001 122.058 119.070 -0.022 0.000 2.871 712 H HA 0.013 4.568 4.556 -0.001 0.000 0.355 712 H C 0.807 175.978 175.328 -0.263 0.000 1.092 712 H CA -0.052 55.896 56.048 -0.166 0.000 1.420 712 H CB 0.803 30.394 29.762 -0.286 0.000 1.400 712 H HN 0.607 nan 8.280 nan 0.000 0.604 713 F N 1.797 121.535 119.950 -0.353 0.000 2.192 713 F HA -0.306 4.221 4.527 -0.001 0.000 0.301 713 F C 2.602 178.132 175.800 -0.450 0.000 1.079 713 F CA 1.736 59.336 58.000 -0.668 0.000 1.303 713 F CB -0.192 38.580 39.000 -0.379 0.000 1.024 713 F HN 0.681 nan 8.300 nan 0.000 0.494 714 Q N 0.151 119.819 119.800 -0.221 0.000 2.207 714 Q HA -0.368 3.971 4.340 -0.001 0.000 0.215 714 Q C 2.069 177.803 176.000 -0.444 0.000 1.006 714 Q CA 2.631 58.236 55.803 -0.331 0.000 0.903 714 Q CB -0.368 28.149 28.738 -0.368 0.000 0.947 714 Q HN 0.619 nan 8.270 nan 0.000 0.414 715 Q N -0.692 118.886 119.800 -0.370 0.000 2.079 715 Q HA -0.087 4.253 4.340 -0.001 0.000 0.200 715 Q C 2.273 178.162 176.000 -0.185 0.000 0.974 715 Q CA 1.571 57.271 55.803 -0.171 0.000 0.840 715 Q CB 0.002 28.743 28.738 0.005 0.000 0.898 715 Q HN 0.326 nan 8.270 nan 0.000 0.430 716 S N 0.853 116.348 115.700 -0.343 0.000 2.406 716 S HA -0.033 4.436 4.470 -0.001 0.000 0.228 716 S C 2.052 176.392 174.600 -0.433 0.000 1.020 716 S CA 0.736 58.728 58.200 -0.347 0.000 0.965 716 S CB -0.103 62.891 63.200 -0.344 0.000 0.798 716 S HN 0.454 nan 8.310 nan 0.000 0.488 717 A N 1.594 124.058 122.820 -0.594 0.000 1.908 717 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 717 A C 2.134 179.612 177.584 -0.177 0.000 1.181 717 A CA 1.220 53.055 52.037 -0.337 0.000 0.627 717 A CB -0.460 18.404 19.000 -0.228 0.000 0.818 717 A HN 0.395 nan 8.150 nan 0.000 0.445 718 Q N -0.520 119.181 119.800 -0.166 0.000 2.172 718 Q HA -0.038 4.301 4.340 -0.001 0.000 0.200 718 Q C 2.131 178.083 176.000 -0.080 0.000 0.964 718 Q CA 1.037 56.801 55.803 -0.065 0.000 0.855 718 Q CB -0.352 28.416 28.738 0.050 0.000 0.918 718 Q HN 0.782 nan 8.270 nan 0.000 0.444 719 I N 1.334 121.828 120.570 -0.128 0.000 2.099 719 I HA -0.325 3.844 4.170 -0.001 0.000 0.239 719 I C 2.639 178.601 176.117 -0.257 0.000 1.066 719 I CA 1.628 62.810 61.300 -0.198 0.000 1.324 719 I CB -0.568 37.305 38.000 -0.212 0.000 1.037 719 I HN 0.197 nan 8.210 nan 0.000 0.401 720 S N 0.999 116.569 115.700 -0.218 0.000 2.365 720 S HA -0.327 4.142 4.470 -0.001 0.000 0.225 720 S C 2.028 176.619 174.600 -0.014 0.000 1.039 720 S CA 1.793 59.924 58.200 -0.114 0.000 1.033 720 S CB -0.603 62.682 63.200 0.141 0.000 0.887 720 S HN 0.390 nan 8.310 nan 0.000 0.447 721 K N 1.808 122.195 120.400 -0.022 0.000 2.103 721 K HA -0.014 4.306 4.320 -0.001 0.000 0.207 721 K C 2.181 178.774 176.600 -0.011 0.000 1.048 721 K CA 1.257 57.545 56.287 0.003 0.000 0.930 721 K CB -0.648 31.848 32.500 -0.006 0.000 0.716 721 K HN 0.486 nan 8.250 nan 0.000 0.444 722 A N 0.625 123.411 122.820 -0.058 0.000 1.970 722 A HA 0.003 4.323 4.320 -0.001 0.000 0.216 722 A C 2.013 179.555 177.584 -0.070 0.000 1.170 722 A CA 0.840 52.842 52.037 -0.060 0.000 0.645 722 A CB -0.373 18.578 19.000 -0.081 0.000 0.816 722 A HN 0.291 nan 8.150 nan 0.000 0.447 723 L N -0.678 120.465 121.223 -0.134 0.000 2.056 723 L HA -0.124 4.215 4.340 -0.001 0.000 0.207 723 L C 2.493 179.406 176.870 0.071 0.000 1.078 723 L CA 0.864 55.641 54.840 -0.106 0.000 0.749 723 L CB -0.644 41.208 42.059 -0.345 0.000 0.901 723 L HN 0.216 nan 8.230 nan 0.000 0.433 724 V N -0.030 119.957 119.914 0.122 0.000 2.287 724 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 724 V C 1.852 177.990 176.094 0.074 0.000 1.053 724 V CA 1.991 64.371 62.300 0.132 0.000 1.027 724 V CB -0.504 31.394 31.823 0.125 0.000 0.646 724 V HN 0.420 nan 8.190 nan 0.000 0.447 725 D N -0.881 119.546 120.400 0.045 0.000 2.378 725 D HA -0.061 4.578 4.640 -0.001 0.000 0.222 725 D C 1.385 177.704 176.300 0.032 0.000 0.980 725 D CA 0.707 54.726 54.000 0.032 0.000 0.907 725 D CB 0.336 41.148 40.800 0.019 0.000 0.899 725 D HN 0.348 nan 8.370 nan 0.000 0.527 726 V N -1.165 118.773 119.914 0.039 0.000 3.398 726 V HA 0.251 4.371 4.120 -0.001 0.000 0.298 726 V C 1.034 177.163 176.094 0.058 0.000 1.496 726 V CA 0.489 62.813 62.300 0.041 0.000 1.044 726 V CB 0.778 32.620 31.823 0.032 0.000 0.880 726 V HN 0.255 nan 8.190 nan 0.000 0.443 727 G N 1.305 110.147 108.800 0.070 0.000 2.256 727 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.272 727 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.272 727 G C -0.064 174.899 174.900 0.106 0.000 1.076 727 G CA 0.358 45.506 45.100 0.080 0.000 0.882 727 G HN 0.472 nan 8.290 nan 0.000 0.497 728 V N 0.463 120.464 119.914 0.144 0.000 2.370 728 V HA 0.446 4.566 4.120 -0.001 0.000 0.279 728 V C 0.459 176.727 176.094 0.289 0.000 1.029 728 V CA -0.595 61.822 62.300 0.195 0.000 0.870 728 V CB 1.707 33.641 31.823 0.185 0.000 0.984 728 V HN 0.457 nan 8.190 nan 0.000 0.451 729 D N 4.069 124.609 120.400 0.233 0.000 2.341 729 D HA 0.557 5.197 4.640 -0.001 0.000 0.245 729 D C -0.553 175.962 176.300 0.359 0.000 1.106 729 D CA 0.302 54.420 54.000 0.197 0.000 0.905 729 D CB 0.682 41.547 40.800 0.109 0.000 1.202 729 D HN 0.387 nan 8.370 nan 0.000 0.426 730 F N -0.428 119.588 119.950 0.110 0.000 2.773 730 F HA 0.428 4.954 4.527 -0.001 0.000 0.314 730 F C -1.631 174.205 175.800 0.060 0.000 1.160 730 F CA -1.146 56.934 58.000 0.133 0.000 0.920 730 F CB 0.760 39.865 39.000 0.175 0.000 1.323 730 F HN 0.101 nan 8.300 nan 0.000 0.457 731 Q N 1.448 121.305 119.800 0.095 0.000 2.235 731 Q HA 0.816 5.156 4.340 -0.001 0.000 0.256 731 Q C -0.810 175.165 176.000 -0.041 0.000 0.951 731 Q CA -0.782 54.979 55.803 -0.069 0.000 0.890 731 Q CB 2.172 30.888 28.738 -0.036 0.000 1.279 731 Q HN 1.037 nan 8.270 nan 0.000 0.444 732 A N 1.784 124.543 122.820 -0.101 0.000 2.527 732 A HA 0.872 5.191 4.320 -0.001 0.000 0.293 732 A C -1.286 176.217 177.584 -0.134 0.000 1.117 732 A CA -0.602 51.415 52.037 -0.034 0.000 0.723 732 A CB 1.995 21.042 19.000 0.077 0.000 1.313 732 A HN 0.635 nan 8.150 nan 0.000 0.411 733 M N 1.091 120.595 119.600 -0.160 0.000 2.296 733 M HA 0.528 5.007 4.480 -0.001 0.000 0.268 733 M C -1.916 174.223 176.300 -0.268 0.000 1.048 733 M CA -0.468 54.583 55.300 -0.414 0.000 0.966 733 M CB 0.953 33.185 32.600 -0.613 0.000 1.912 733 M HN 0.970 nan 8.290 nan 0.000 0.484 734 W N 4.222 125.354 121.300 -0.281 0.000 2.436 734 W HA 0.778 5.437 4.660 -0.001 0.000 0.347 734 W C -1.911 174.329 176.519 -0.465 0.000 1.136 734 W CA -0.684 56.563 57.345 -0.164 0.000 1.286 734 W CB 0.335 29.736 29.460 -0.098 0.000 1.253 734 W HN 0.608 nan 8.180 nan 0.000 0.617 735 Y N 2.147 122.568 120.300 0.201 0.000 2.376 735 Y HA 0.291 4.841 4.550 -0.001 0.000 0.326 735 Y C 0.681 176.690 175.900 0.181 0.000 0.970 735 Y CA -1.208 56.935 58.100 0.073 0.000 1.248 735 Y CB 1.476 39.951 38.460 0.024 0.000 1.117 735 Y HN 0.617 nan 8.280 nan 0.000 0.476 736 T N 1.543 116.274 114.554 0.294 0.000 2.834 736 T HA 0.165 4.514 4.350 -0.001 0.000 0.298 736 T C 0.336 175.112 174.700 0.126 0.000 0.966 736 T CA 0.111 62.330 62.100 0.197 0.000 1.141 736 T CB 0.170 69.085 68.868 0.079 0.000 0.905 736 T HN 0.772 nan 8.240 nan 0.000 0.535 737 D N 1.049 121.512 120.400 0.104 0.000 3.077 737 D HA -0.108 4.531 4.640 -0.001 0.000 0.212 737 D C -0.074 176.365 176.300 0.233 0.000 1.125 737 D CA 1.047 55.065 54.000 0.029 0.000 0.970 737 D CB -0.690 39.907 40.800 -0.338 0.000 1.110 737 D HN 0.688 nan 8.370 nan 0.000 0.419 738 E N 0.897 121.243 120.200 0.244 0.000 2.277 738 E HA 0.354 4.704 4.350 -0.001 0.000 0.274 738 E C 0.711 177.492 176.600 0.300 0.000 1.022 738 E CA -0.295 56.264 56.400 0.265 0.000 0.853 738 E CB 1.244 31.089 29.700 0.242 0.000 1.086 738 E HN 0.337 nan 8.360 nan 0.000 0.397 739 D N -0.465 120.122 120.400 0.312 0.000 2.560 739 D HA 0.011 4.651 4.640 -0.001 0.000 0.277 739 D C 1.074 177.609 176.300 0.392 0.000 1.194 739 D CA -0.201 54.007 54.000 0.347 0.000 1.092 739 D CB -0.141 40.885 40.800 0.377 0.000 1.169 739 D HN 0.397 nan 8.370 nan 0.000 0.607 740 H N -1.428 117.826 119.070 0.305 0.000 2.422 740 H HA 0.062 4.617 4.556 -0.001 0.000 0.298 740 H C 1.972 177.539 175.328 0.398 0.000 1.098 740 H CA 2.256 58.505 56.048 0.334 0.000 1.315 740 H CB -0.456 29.479 29.762 0.289 0.000 1.382 740 H HN 0.505 nan 8.280 nan 0.000 0.523 741 G N -0.031 108.942 108.800 0.288 0.000 2.448 741 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.218 741 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.218 741 G C 0.697 175.758 174.900 0.268 0.000 1.135 741 G CA 0.394 45.578 45.100 0.140 0.000 0.784 741 G HN 0.539 nan 8.290 nan 0.000 0.543 742 I N 0.055 120.822 120.570 0.328 0.000 6.347 742 I HA -0.319 3.851 4.170 -0.001 0.000 0.126 742 I C 1.437 177.681 176.117 0.212 0.000 1.576 742 I CA 0.152 61.604 61.300 0.253 0.000 2.463 742 I CB -1.066 37.080 38.000 0.242 0.000 2.990 742 I HN 0.271 nan 8.210 nan 0.000 0.281 743 A N 1.257 124.169 122.820 0.154 0.000 2.431 743 A HA 0.299 4.618 4.320 -0.001 0.000 0.239 743 A C 1.122 178.745 177.584 0.064 0.000 1.230 743 A CA 0.558 52.653 52.037 0.096 0.000 0.928 743 A CB 0.249 19.274 19.000 0.043 0.000 1.006 743 A HN 0.624 nan 8.150 nan 0.000 0.520 744 S N -0.164 115.587 115.700 0.085 0.000 2.576 744 S HA 0.162 4.632 4.470 -0.001 0.000 0.272 744 S C 1.283 175.922 174.600 0.065 0.000 1.352 744 S CA 0.391 58.633 58.200 0.069 0.000 1.021 744 S CB 1.051 64.298 63.200 0.079 0.000 0.887 744 S HN 0.626 nan 8.310 nan 0.000 0.542 745 S N 1.582 117.309 115.700 0.044 0.000 2.374 745 S HA -0.182 4.288 4.470 -0.001 0.000 0.227 745 S C 1.970 176.611 174.600 0.069 0.000 1.037 745 S CA 2.161 60.387 58.200 0.043 0.000 1.024 745 S CB -1.558 61.653 63.200 0.019 0.000 0.861 745 S HN 1.039 nan 8.310 nan 0.000 0.456 746 T N -0.814 113.772 114.554 0.053 0.000 2.896 746 T HA 0.328 4.678 4.350 -0.001 0.000 0.263 746 T C 1.996 176.724 174.700 0.046 0.000 1.050 746 T CA 0.966 63.096 62.100 0.050 0.000 1.140 746 T CB -0.756 68.135 68.868 0.037 0.000 0.877 746 T HN 0.450 nan 8.240 nan 0.000 0.457 747 A N 1.289 124.114 122.820 0.009 0.000 1.968 747 A HA -0.026 4.294 4.320 -0.001 0.000 0.217 747 A C 2.147 179.649 177.584 -0.138 0.000 1.169 747 A CA 1.775 53.730 52.037 -0.136 0.000 0.638 747 A CB -1.084 17.805 19.000 -0.185 0.000 0.812 747 A HN 0.748 nan 8.150 nan 0.000 0.446 748 H N -0.149 118.886 119.070 -0.059 0.000 2.321 748 H HA -0.108 4.447 4.556 -0.001 0.000 0.300 748 H C 2.098 177.472 175.328 0.078 0.000 1.087 748 H CA 2.272 58.344 56.048 0.041 0.000 1.319 748 H CB -0.194 29.595 29.762 0.045 0.000 1.379 748 H HN 0.556 nan 8.280 nan 0.000 0.501 749 Q N -0.781 118.994 119.800 -0.042 0.000 2.050 749 Q HA -0.206 4.133 4.340 -0.001 0.000 0.202 749 Q C 2.275 178.238 176.000 -0.060 0.000 0.980 749 Q CA 1.506 57.254 55.803 -0.093 0.000 0.840 749 Q CB -0.271 28.454 28.738 -0.023 0.000 0.898 749 Q HN 0.629 nan 8.270 nan 0.000 0.424 750 H N 0.690 119.711 119.070 -0.083 0.000 2.353 750 H HA -0.103 4.452 4.556 -0.001 0.000 0.300 750 H C 2.075 177.381 175.328 -0.037 0.000 1.090 750 H CA 1.482 57.516 56.048 -0.023 0.000 1.327 750 H CB -0.075 29.715 29.762 0.048 0.000 1.383 750 H HN 0.289 nan 8.280 nan 0.000 0.508 751 I N 0.116 120.641 120.570 -0.075 0.000 2.226 751 I HA -0.330 3.839 4.170 -0.001 0.000 0.245 751 I C 1.786 177.659 176.117 -0.407 0.000 1.100 751 I CA 1.351 62.522 61.300 -0.216 0.000 1.374 751 I CB -0.253 37.465 38.000 -0.470 0.000 1.057 751 I HN 0.145 nan 8.210 nan 0.000 0.413 752 Y N 0.779 120.852 120.300 -0.379 0.000 2.314 752 Y HA -0.170 4.380 4.550 -0.001 0.000 0.293 752 Y C 2.678 178.354 175.900 -0.373 0.000 1.129 752 Y CA 1.684 59.447 58.100 -0.561 0.000 1.201 752 Y CB -0.823 37.281 38.460 -0.592 0.000 0.999 752 Y HN 0.143 nan 8.280 nan 0.000 0.541 753 T N -1.427 113.022 114.554 -0.176 0.000 2.684 753 T HA -0.281 4.069 4.350 -0.001 0.000 0.267 753 T C 1.560 176.110 174.700 -0.251 0.000 1.036 753 T CA 2.115 64.066 62.100 -0.248 0.000 1.148 753 T CB -0.517 68.210 68.868 -0.234 0.000 0.863 753 T HN 0.432 nan 8.240 nan 0.000 0.436 754 H N 0.339 119.263 119.070 -0.244 0.000 2.389 754 H HA 0.171 4.727 4.556 -0.001 0.000 0.299 754 H C 2.182 177.480 175.328 -0.050 0.000 1.081 754 H CA 1.320 57.303 56.048 -0.109 0.000 1.345 754 H CB -0.162 29.530 29.762 -0.116 0.000 1.393 754 H HN 0.259 nan 8.280 nan 0.000 0.520 755 M N -0.977 118.576 119.600 -0.078 0.000 2.200 755 M HA -0.133 4.346 4.480 -0.001 0.000 0.265 755 M C 2.384 178.807 176.300 0.203 0.000 1.066 755 M CA 1.258 56.521 55.300 -0.062 0.000 1.127 755 M CB 0.133 32.440 32.600 -0.489 0.000 1.379 755 M HN 0.195 nan 8.290 nan 0.000 0.420 756 S N -0.405 115.428 115.700 0.223 0.000 2.353 756 S HA -0.185 4.284 4.470 -0.001 0.000 0.222 756 S C 1.707 176.400 174.600 0.155 0.000 1.035 756 S CA 1.195 59.601 58.200 0.344 0.000 1.025 756 S CB -0.747 62.623 63.200 0.283 0.000 0.902 756 S HN 0.456 nan 8.310 nan 0.000 0.440 757 H N 0.018 119.137 119.070 0.083 0.000 2.357 757 H HA -0.121 4.434 4.556 -0.001 0.000 0.296 757 H C 1.983 177.315 175.328 0.006 0.000 1.108 757 H CA 1.583 57.632 56.048 0.002 0.000 1.273 757 H CB -0.812 28.888 29.762 -0.103 0.000 1.367 757 H HN 0.453 nan 8.280 nan 0.000 0.498 758 F N 1.004 120.947 119.950 -0.011 0.000 2.134 758 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 758 F C 2.317 178.074 175.800 -0.072 0.000 1.097 758 F CA 0.829 58.797 58.000 -0.053 0.000 1.264 758 F CB -0.233 38.728 39.000 -0.065 0.000 1.001 758 F HN -0.034 nan 8.300 nan 0.000 0.479 759 I N 0.761 121.313 120.570 -0.031 0.000 2.202 759 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 759 I C 2.225 178.127 176.117 -0.360 0.000 1.091 759 I CA 1.298 62.412 61.300 -0.310 0.000 1.368 759 I CB -1.247 36.670 38.000 -0.139 0.000 1.058 759 I HN 0.185 nan 8.210 nan 0.000 0.410 760 K N 0.338 120.685 120.400 -0.088 0.000 2.020 760 K HA -0.262 4.058 4.320 -0.001 0.000 0.212 760 K C 2.018 178.595 176.600 -0.039 0.000 1.050 760 K CA 1.312 57.600 56.287 0.003 0.000 0.929 760 K CB -0.508 32.046 32.500 0.091 0.000 0.714 760 K HN 0.327 nan 8.250 nan 0.000 0.443 761 Q N 1.333 121.083 119.800 -0.084 0.000 2.112 761 Q HA -0.222 4.117 4.340 -0.001 0.000 0.206 761 Q C 2.270 178.163 176.000 -0.179 0.000 0.987 761 Q CA 1.784 57.518 55.803 -0.115 0.000 0.858 761 Q CB -0.573 28.088 28.738 -0.128 0.000 0.905 761 Q HN 0.438 nan 8.270 nan 0.000 0.420 762 c N -0.122 118.252 118.600 -0.377 0.000 2.419 762 c HA -0.090 4.479 4.570 -0.001 0.000 0.283 762 c C 2.128 176.213 174.090 -0.008 0.000 1.373 762 c CA 0.471 56.586 56.329 -0.358 0.000 1.781 762 c CB -1.165 40.940 42.510 -0.675 0.000 1.886 762 c HN 0.518 nan 8.230 nan 0.000 0.520 763 F N 0.115 120.021 119.950 -0.073 0.000 2.680 763 F HA 0.331 4.858 4.527 -0.001 0.000 0.290 763 F C 1.821 177.605 175.800 -0.027 0.000 1.114 763 F CA -0.115 57.865 58.000 -0.034 0.000 1.333 763 F CB -1.133 37.855 39.000 -0.021 0.000 1.091 763 F HN -0.005 nan 8.300 nan 0.000 0.606 764 S N 0.000 115.790 115.700 0.150 0.000 2.498 764 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 764 S CA 0.000 58.252 58.200 0.086 0.000 1.107 764 S CB 0.000 63.237 63.200 0.063 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517