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 1nu6_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 IKQcFSLP 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 0.000 174.644 174.600 0.074 0.000 1.055 39 S CA 0.000 58.238 58.200 0.064 0.000 1.107 39 S CB 0.000 63.228 63.200 0.047 0.000 0.593 40 R N 3.435 123.985 120.500 0.083 0.000 2.802 40 R HA 0.260 4.600 4.340 -0.000 0.000 0.264 40 R C 0.436 176.788 176.300 0.088 0.000 0.996 40 R CA 0.502 56.650 56.100 0.080 0.000 1.123 40 R CB -0.003 30.342 30.300 0.074 0.000 0.996 40 R HN 0.614 nan 8.270 nan 0.000 0.444 41 K N -0.118 120.338 120.400 0.092 0.000 2.230 41 K HA 0.124 4.444 4.320 -0.000 0.000 0.253 41 K C -0.211 176.457 176.600 0.113 0.000 1.008 41 K CA -0.317 56.034 56.287 0.106 0.000 0.910 41 K CB 0.670 33.243 32.500 0.122 0.000 0.994 41 K HN 0.353 nan 8.250 nan 0.000 0.495 42 T N 0.613 115.242 114.554 0.126 0.000 2.943 42 T HA 0.130 4.480 4.350 -0.000 0.000 0.284 42 T C -1.464 173.359 174.700 0.204 0.000 1.015 42 T CA -0.575 61.609 62.100 0.141 0.000 1.042 42 T CB 0.292 69.236 68.868 0.127 0.000 1.055 42 T HN 0.463 nan 8.240 nan 0.000 0.500 43 Y N 3.522 123.888 120.300 0.110 0.000 2.531 43 Y HA 0.339 4.888 4.550 -0.000 0.000 0.347 43 Y C 0.966 177.022 175.900 0.261 0.000 1.024 43 Y CA -0.453 57.749 58.100 0.171 0.000 1.306 43 Y CB -0.101 38.424 38.460 0.108 0.000 1.149 43 Y HN 0.664 nan 8.280 nan 0.000 0.527 44 T N 2.582 117.088 114.554 -0.080 0.000 2.897 44 T HA 0.168 4.518 4.350 -0.000 0.000 0.278 44 T C 0.918 175.482 174.700 -0.227 0.000 0.981 44 T CA -0.715 61.395 62.100 0.016 0.000 0.973 44 T CB 1.210 70.074 68.868 -0.006 0.000 1.092 44 T HN 0.669 nan 8.240 nan 0.000 0.543 45 L N 0.762 121.682 121.223 -0.504 0.000 2.046 45 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 45 L C 2.590 179.296 176.870 -0.273 0.000 1.077 45 L CA 2.107 56.526 54.840 -0.701 0.000 0.747 45 L CB -1.496 40.048 42.059 -0.859 0.000 0.896 45 L HN 0.936 nan 8.230 nan 0.000 0.432 46 T N -0.447 113.981 114.554 -0.211 0.000 2.833 46 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 46 T C 1.451 176.056 174.700 -0.158 0.000 1.054 46 T CA 1.345 63.356 62.100 -0.148 0.000 1.135 46 T CB -0.341 68.465 68.868 -0.103 0.000 0.869 46 T HN 0.425 nan 8.240 nan 0.000 0.466 47 D N 0.224 120.496 120.400 -0.213 0.000 2.117 47 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 47 D C 1.736 177.945 176.300 -0.151 0.000 0.987 47 D CA 1.074 54.927 54.000 -0.245 0.000 0.829 47 D CB -0.306 40.263 40.800 -0.384 0.000 0.961 47 D HN 0.439 nan 8.370 nan 0.000 0.460 48 Y N 1.242 121.369 120.300 -0.288 0.000 2.220 48 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 48 Y C 1.994 177.891 175.900 -0.003 0.000 1.129 48 Y CA 0.835 58.920 58.100 -0.025 0.000 1.161 48 Y CB -0.424 38.067 38.460 0.053 0.000 0.997 48 Y HN -0.167 nan 8.280 nan 0.000 0.522 49 L N 0.734 121.779 121.223 -0.296 0.000 2.046 49 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 49 L C 1.911 178.663 176.870 -0.197 0.000 1.077 49 L CA 1.837 56.483 54.840 -0.324 0.000 0.747 49 L CB -0.907 41.040 42.059 -0.187 0.000 0.896 49 L HN 0.160 nan 8.230 nan 0.000 0.432 50 K N -0.793 119.521 120.400 -0.143 0.000 2.417 50 K HA 0.110 4.430 4.320 -0.000 0.000 0.196 50 K C 0.274 176.820 176.600 -0.091 0.000 1.023 50 K CA -0.053 56.171 56.287 -0.105 0.000 1.122 50 K CB -0.098 32.344 32.500 -0.096 0.000 0.850 50 K HN 0.239 nan 8.250 nan 0.000 0.521 51 N N 1.135 119.789 118.700 -0.077 0.000 2.740 51 N HA -0.186 4.554 4.740 -0.000 0.000 0.248 51 N C -0.117 175.371 175.510 -0.036 0.000 1.062 51 N CA 0.429 53.469 53.050 -0.016 0.000 0.704 51 N CB -0.554 37.915 38.487 -0.030 0.000 0.968 51 N HN 0.208 nan 8.380 nan 0.000 0.547 52 T N -0.729 113.757 114.554 -0.113 0.000 2.867 52 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 52 T C 0.310 174.779 174.700 -0.385 0.000 1.057 52 T CA 1.216 63.128 62.100 -0.313 0.000 1.136 52 T CB -0.079 68.472 68.868 -0.528 0.000 0.874 52 T HN 0.309 nan 8.240 nan 0.000 0.466 53 Y N 2.067 122.462 120.300 0.158 0.000 2.593 53 Y HA 0.463 5.013 4.550 -0.000 0.000 0.331 53 Y C 0.416 176.416 175.900 0.166 0.000 0.986 53 Y CA -1.245 56.963 58.100 0.180 0.000 1.262 53 Y CB 0.239 38.860 38.460 0.269 0.000 1.098 53 Y HN -0.144 nan 8.280 nan 0.000 0.506 54 R N 3.067 123.699 120.500 0.219 0.000 2.312 54 R HA 0.483 4.823 4.340 -0.000 0.000 0.311 54 R C -0.820 175.576 176.300 0.160 0.000 1.004 54 R CA -0.871 55.325 56.100 0.161 0.000 0.902 54 R CB 1.350 31.704 30.300 0.091 0.000 1.073 54 R HN 0.571 nan 8.270 nan 0.000 0.457 55 L N 3.693 125.014 121.223 0.163 0.000 2.360 55 L HA 0.170 4.510 4.340 -0.000 0.000 0.276 55 L C 0.513 177.451 176.870 0.114 0.000 1.121 55 L CA 0.240 55.172 54.840 0.154 0.000 0.845 55 L CB 0.361 42.532 42.059 0.186 0.000 1.143 55 L HN 0.333 nan 8.230 nan 0.000 0.452 56 K N 4.434 124.893 120.400 0.098 0.000 2.174 56 K HA 0.571 4.891 4.320 -0.000 0.000 0.275 56 K C -0.673 175.927 176.600 0.001 0.000 1.015 56 K CA -0.493 55.823 56.287 0.048 0.000 0.933 56 K CB 1.255 33.780 32.500 0.042 0.000 1.025 56 K HN 0.413 nan 8.250 nan 0.000 0.463 57 L N 1.715 122.874 121.223 -0.108 0.000 2.304 57 L HA 0.474 4.814 4.340 -0.000 0.000 0.268 57 L C -0.817 175.764 176.870 -0.483 0.000 1.010 57 L CA -1.074 53.574 54.840 -0.321 0.000 0.813 57 L CB 0.781 42.775 42.059 -0.109 0.000 1.315 57 L HN 0.532 nan 8.230 nan 0.000 0.445 58 Y N 0.295 120.053 120.300 -0.903 0.000 2.563 58 Y HA 0.312 4.862 4.550 -0.000 0.000 0.351 58 Y C -0.709 175.055 175.900 -0.227 0.000 1.087 58 Y CA -0.543 57.266 58.100 -0.485 0.000 1.272 58 Y CB 1.261 39.333 38.460 -0.646 0.000 1.095 58 Y HN 0.470 nan 8.280 nan 0.000 0.620 59 S N 6.180 121.823 115.700 -0.095 0.000 2.439 59 S HA 0.592 5.062 4.470 -0.000 0.000 0.282 59 S C -0.440 174.128 174.600 -0.053 0.000 1.170 59 S CA -0.606 57.572 58.200 -0.036 0.000 1.054 59 S CB 0.315 63.488 63.200 -0.045 0.000 0.956 59 S HN 0.599 nan 8.310 nan 0.000 0.490 60 L N 1.319 122.486 121.223 -0.093 0.000 2.283 60 L HA 0.763 5.103 4.340 -0.000 0.000 0.259 60 L C -0.999 175.782 176.870 -0.148 0.000 1.027 60 L CA -1.125 53.611 54.840 -0.172 0.000 0.828 60 L CB 1.686 43.382 42.059 -0.606 0.000 1.380 60 L HN 0.497 nan 8.230 nan 0.000 0.425 61 R N 1.091 121.539 120.500 -0.085 0.000 2.473 61 R HA 0.383 4.723 4.340 -0.000 0.000 0.303 61 R C -1.613 174.714 176.300 0.045 0.000 1.002 61 R CA -0.396 55.709 56.100 0.009 0.000 0.884 61 R CB 1.388 31.739 30.300 0.085 0.000 1.173 61 R HN 0.627 nan 8.270 nan 0.000 0.464 62 W N 3.274 124.678 121.300 0.174 0.000 2.223 62 W HA 0.085 4.745 4.660 -0.000 0.000 0.334 62 W C 1.120 177.724 176.519 0.141 0.000 1.334 62 W CA -0.019 57.440 57.345 0.190 0.000 1.246 62 W CB 0.450 30.020 29.460 0.183 0.000 1.184 62 W HN 0.586 nan 8.180 nan 0.000 0.563 63 I N 2.324 123.128 120.570 0.391 0.000 4.240 63 I HA 0.023 4.193 4.170 -0.000 0.000 0.331 63 I C 0.434 176.658 176.117 0.179 0.000 1.381 63 I CA 0.393 61.818 61.300 0.207 0.000 1.136 63 I CB -0.002 38.049 38.000 0.085 0.000 1.137 63 I HN 0.451 nan 8.210 nan 0.000 0.411 64 S N -1.484 114.362 115.700 0.244 0.000 2.761 64 S HA 0.120 4.590 4.470 -0.000 0.000 0.290 64 S C -0.130 174.606 174.600 0.226 0.000 1.222 64 S CA -0.062 58.253 58.200 0.191 0.000 0.954 64 S CB 0.369 63.644 63.200 0.126 0.000 1.281 64 S HN 0.079 nan 8.310 nan 0.000 0.527 65 D N 0.240 120.787 120.400 0.246 0.000 2.355 65 D HA 0.022 4.662 4.640 -0.000 0.000 0.218 65 D C 0.885 177.413 176.300 0.379 0.000 1.004 65 D CA 1.490 55.631 54.000 0.235 0.000 0.880 65 D CB -0.748 40.179 40.800 0.213 0.000 0.911 65 D HN 0.959 nan 8.370 nan 0.000 0.528 66 H N -2.869 116.361 119.070 0.268 0.000 3.480 66 H HA 0.502 5.058 4.556 -0.000 0.000 0.257 66 H C -0.534 174.938 175.328 0.241 0.000 1.196 66 H CA -0.699 55.499 56.048 0.250 0.000 1.100 66 H CB 0.211 30.104 29.762 0.218 0.000 1.683 66 H HN -0.053 nan 8.280 nan 0.000 0.702 67 E N 0.908 121.170 120.200 0.103 0.000 2.356 67 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 67 E C -1.690 175.049 176.600 0.232 0.000 0.904 67 E CA -1.375 55.026 56.400 0.002 0.000 0.757 67 E CB 2.637 32.188 29.700 -0.248 0.000 1.232 67 E HN 0.335 nan 8.360 nan 0.000 0.442 68 Y N -0.683 119.612 120.300 -0.008 0.000 2.609 68 Y HA 0.678 5.228 4.550 -0.000 0.000 0.342 68 Y C -1.544 174.340 175.900 -0.027 0.000 1.058 68 Y CA -1.402 56.609 58.100 -0.148 0.000 1.055 68 Y CB 0.801 38.853 38.460 -0.680 0.000 1.292 68 Y HN 0.340 nan 8.280 nan 0.000 0.476 69 L N 2.689 124.041 121.223 0.216 0.000 2.343 69 L HA 0.558 4.898 4.340 -0.000 0.000 0.275 69 L C -1.227 175.849 176.870 0.345 0.000 1.056 69 L CA -0.933 54.032 54.840 0.208 0.000 0.804 69 L CB 1.501 43.610 42.059 0.084 0.000 1.203 69 L HN 0.786 nan 8.230 nan 0.000 0.440 70 Y N 2.167 122.569 120.300 0.169 0.000 2.480 70 Y HA 0.345 4.895 4.550 -0.000 0.000 0.329 70 Y C -1.165 174.772 175.900 0.062 0.000 1.127 70 Y CA -1.426 56.699 58.100 0.041 0.000 1.037 70 Y CB 1.537 39.977 38.460 -0.034 0.000 1.320 70 Y HN 0.562 nan 8.280 nan 0.000 0.446 71 K N 4.943 124.943 120.400 -0.667 0.000 2.213 71 K HA 0.555 4.875 4.320 -0.000 0.000 0.270 71 K C -1.337 174.896 176.600 -0.611 0.000 1.002 71 K CA -0.770 55.258 56.287 -0.431 0.000 0.868 71 K CB 1.970 34.336 32.500 -0.223 0.000 1.093 71 K HN 0.714 nan 8.250 nan 0.000 0.454 72 Q N 2.972 122.652 119.800 -0.200 0.000 2.292 72 Q HA 0.107 4.447 4.340 -0.000 0.000 0.270 72 Q C -1.114 174.872 176.000 -0.023 0.000 1.024 72 Q CA -0.320 55.455 55.803 -0.047 0.000 0.768 72 Q CB 1.318 30.174 28.738 0.196 0.000 1.250 72 Q HN 0.852 nan 8.270 nan 0.000 0.447 73 E N 2.748 122.929 120.200 -0.031 0.000 2.252 73 E HA -0.298 4.052 4.350 -0.000 0.000 0.218 73 E C -0.624 175.956 176.600 -0.033 0.000 1.253 73 E CA 0.387 56.775 56.400 -0.020 0.000 0.705 73 E CB -1.240 28.461 29.700 0.002 0.000 1.172 73 E HN 0.823 nan 8.360 nan 0.000 0.369 74 N N 0.735 119.403 118.700 -0.053 0.000 2.664 74 N HA -0.212 4.527 4.740 -0.000 0.000 0.253 74 N C -0.713 174.766 175.510 -0.052 0.000 0.998 74 N CA 1.141 54.158 53.050 -0.054 0.000 0.796 74 N CB -0.480 37.986 38.487 -0.035 0.000 0.955 74 N HN 0.395 nan 8.380 nan 0.000 0.545 75 N N 0.275 118.945 118.700 -0.050 0.000 2.498 75 N HA 0.293 5.032 4.740 -0.000 0.000 0.287 75 N C 0.189 175.669 175.510 -0.050 0.000 1.097 75 N CA -0.321 52.700 53.050 -0.048 0.000 0.973 75 N CB 1.036 39.506 38.487 -0.028 0.000 1.153 75 N HN 0.148 nan 8.380 nan 0.000 0.472 76 I N 3.323 123.858 120.570 -0.057 0.000 2.301 76 I HA 0.190 4.360 4.170 -0.000 0.000 0.292 76 I C 0.022 176.172 176.117 0.055 0.000 1.046 76 I CA -0.280 60.992 61.300 -0.046 0.000 1.282 76 I CB 0.404 38.310 38.000 -0.157 0.000 1.409 76 I HN 0.191 nan 8.210 nan 0.000 0.484 77 L N 6.895 128.179 121.223 0.101 0.000 2.334 77 L HA 0.616 4.956 4.340 -0.000 0.000 0.272 77 L C -0.350 176.602 176.870 0.136 0.000 1.020 77 L CA -1.073 53.834 54.840 0.111 0.000 0.812 77 L CB 1.879 44.028 42.059 0.151 0.000 1.264 77 L HN 0.196 nan 8.230 nan 0.000 0.439 78 V N 1.319 121.244 119.914 0.020 0.000 2.483 78 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 78 V C -0.537 175.414 176.094 -0.238 0.000 1.035 78 V CA -0.399 61.882 62.300 -0.032 0.000 0.896 78 V CB 1.586 33.392 31.823 -0.028 0.000 0.986 78 V HN 0.351 nan 8.190 nan 0.000 0.447 79 F N 2.516 122.194 119.950 -0.454 0.000 2.492 79 F HA 0.449 4.976 4.527 -0.000 0.000 0.327 79 F C 0.458 175.954 175.800 -0.506 0.000 1.079 79 F CA -0.674 56.978 58.000 -0.581 0.000 0.967 79 F CB 1.592 39.921 39.000 -1.118 0.000 1.169 79 F HN 0.450 nan 8.300 nan 0.000 0.472 80 N N 1.849 120.470 118.700 -0.132 0.000 2.422 80 N HA 0.304 5.044 4.740 -0.000 0.000 0.266 80 N C 0.357 175.832 175.510 -0.059 0.000 1.007 80 N CA 0.108 53.130 53.050 -0.046 0.000 0.941 80 N CB 1.848 40.380 38.487 0.075 0.000 1.115 80 N HN 0.775 nan 8.380 nan 0.000 0.492 81 A N 3.812 126.555 122.820 -0.130 0.000 1.873 81 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 81 A C 1.867 179.221 177.584 -0.383 0.000 1.186 81 A CA 1.459 53.340 52.037 -0.261 0.000 0.616 81 A CB -0.550 18.137 19.000 -0.521 0.000 0.823 81 A HN 0.778 nan 8.150 nan 0.000 0.442 82 E N -0.795 119.121 120.200 -0.472 0.000 2.058 82 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 82 E C 1.392 177.682 176.600 -0.517 0.000 0.997 82 E CA 1.952 58.066 56.400 -0.476 0.000 0.801 82 E CB -0.374 28.915 29.700 -0.685 0.000 0.746 82 E HN 0.721 nan 8.360 nan 0.000 0.450 83 Y N -2.098 118.211 120.300 0.014 0.000 2.462 83 Y HA 0.367 4.917 4.550 -0.000 0.000 0.253 83 Y C 1.709 177.617 175.900 0.014 0.000 1.095 83 Y CA 0.361 58.471 58.100 0.017 0.000 1.283 83 Y CB 0.763 39.233 38.460 0.016 0.000 1.138 83 Y HN 0.203 nan 8.280 nan 0.000 0.522 84 G N 0.726 109.607 108.800 0.134 0.000 2.199 84 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.254 84 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.254 84 G C 0.190 175.157 174.900 0.112 0.000 0.982 84 G CA 0.180 45.368 45.100 0.147 0.000 0.632 84 G HN 0.463 nan 8.290 nan 0.000 0.529 85 N N 0.912 119.644 118.700 0.054 0.000 2.479 85 N HA 0.453 5.193 4.740 -0.000 0.000 0.257 85 N C 0.027 175.385 175.510 -0.254 0.000 1.232 85 N CA 0.870 53.881 53.050 -0.064 0.000 0.920 85 N CB 1.269 39.732 38.487 -0.039 0.000 1.105 85 N HN 0.889 nan 8.380 nan 0.000 0.444 86 S N -0.071 115.383 115.700 -0.409 0.000 2.599 86 S HA 0.753 5.223 4.470 -0.000 0.000 0.287 86 S C -0.804 173.570 174.600 -0.377 0.000 1.105 86 S CA -0.858 56.925 58.200 -0.694 0.000 0.899 86 S CB 1.697 64.091 63.200 -1.343 0.000 1.100 86 S HN 0.642 nan 8.310 nan 0.000 0.482 87 S N 0.135 115.649 115.700 -0.310 0.000 2.618 87 S HA 0.589 5.059 4.470 -0.000 0.000 0.277 87 S C -1.037 173.498 174.600 -0.107 0.000 1.138 87 S CA -0.755 57.346 58.200 -0.164 0.000 0.844 87 S CB 1.763 64.900 63.200 -0.104 0.000 1.127 87 S HN 1.148 nan 8.310 nan 0.000 0.474 88 V N 3.348 123.217 119.914 -0.075 0.000 2.405 88 V HA 0.363 4.483 4.120 -0.000 0.000 0.264 88 V C 0.313 176.392 176.094 -0.026 0.000 1.048 88 V CA 0.048 62.320 62.300 -0.046 0.000 0.966 88 V CB -0.208 31.572 31.823 -0.071 0.000 1.015 88 V HN 0.905 nan 8.190 nan 0.000 0.477 89 F N 6.133 126.024 119.950 -0.098 0.000 2.187 89 F HA 0.322 4.849 4.527 -0.000 0.000 0.295 89 F C 0.722 176.457 175.800 -0.109 0.000 1.091 89 F CA 1.089 59.034 58.000 -0.092 0.000 1.308 89 F CB 0.466 39.418 39.000 -0.080 0.000 1.030 89 F HN 0.385 nan 8.300 nan 0.000 0.487 90 L N 1.605 122.819 121.223 -0.015 0.000 2.482 90 L HA 0.275 4.615 4.340 -0.000 0.000 0.269 90 L C -1.158 175.630 176.870 -0.137 0.000 0.967 90 L CA -0.834 53.928 54.840 -0.130 0.000 0.851 90 L CB 1.507 43.528 42.059 -0.063 0.000 1.242 90 L HN -0.023 nan 8.230 nan 0.000 0.404 91 E N 2.901 122.991 120.200 -0.182 0.000 2.452 91 E HA -0.043 4.307 4.350 -0.000 0.000 0.261 91 E C 1.045 177.560 176.600 -0.142 0.000 0.987 91 E CA -0.142 56.167 56.400 -0.151 0.000 0.926 91 E CB 0.316 29.919 29.700 -0.162 0.000 0.934 91 E HN 0.586 nan 8.360 nan 0.000 0.452 92 N N 2.592 121.235 118.700 -0.095 0.000 2.132 92 N HA -0.295 4.445 4.740 -0.000 0.000 0.191 92 N C 0.842 176.305 175.510 -0.078 0.000 1.015 92 N CA 2.121 55.128 53.050 -0.072 0.000 0.864 92 N CB -0.714 37.743 38.487 -0.049 0.000 1.006 92 N HN 0.369 nan 8.380 nan 0.000 0.430 93 S N -0.094 115.547 115.700 -0.098 0.000 2.355 93 S HA -0.067 4.402 4.470 -0.000 0.000 0.222 93 S C 0.724 175.232 174.600 -0.153 0.000 1.031 93 S CA 1.059 59.199 58.200 -0.099 0.000 0.993 93 S CB -1.158 61.984 63.200 -0.096 0.000 0.859 93 S HN 0.567 nan 8.310 nan 0.000 0.453 94 T N 2.864 117.250 114.554 -0.280 0.000 2.923 94 T HA 0.102 4.452 4.350 -0.000 0.000 0.304 94 T C -0.145 174.257 174.700 -0.497 0.000 1.044 94 T CA 0.072 61.834 62.100 -0.564 0.000 1.141 94 T CB -0.598 67.726 68.868 -0.907 0.000 1.023 94 T HN 0.288 nan 8.240 nan 0.000 0.533 95 F N 0.886 120.776 119.950 -0.101 0.000 2.781 95 F HA -0.139 4.388 4.527 -0.000 0.000 0.350 95 F C 0.499 176.302 175.800 0.005 0.000 1.048 95 F CA -0.168 57.804 58.000 -0.046 0.000 1.134 95 F CB -2.363 36.529 39.000 -0.180 0.000 1.440 95 F HN 0.648 nan 8.300 nan 0.000 0.799 96 D N -0.070 120.411 120.400 0.135 0.000 2.716 96 D HA 0.019 4.659 4.640 -0.000 0.000 0.273 96 D C 1.790 178.145 176.300 0.091 0.000 1.024 96 D CA 0.837 54.886 54.000 0.083 0.000 0.944 96 D CB 0.072 40.885 40.800 0.021 0.000 1.186 96 D HN 0.643 nan 8.370 nan 0.000 0.485 97 E N -0.362 119.896 120.200 0.096 0.000 2.465 97 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 97 E C 1.159 177.818 176.600 0.099 0.000 1.053 97 E CA -0.214 56.225 56.400 0.064 0.000 0.869 97 E CB -0.021 29.704 29.700 0.042 0.000 0.977 97 E HN 0.049 nan 8.360 nan 0.000 0.483 98 F N 0.578 120.553 119.950 0.040 0.000 2.216 98 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 98 F C 1.607 177.303 175.800 -0.173 0.000 1.085 98 F CA 2.038 60.047 58.000 0.015 0.000 1.326 98 F CB -0.058 38.980 39.000 0.064 0.000 1.027 98 F HN 0.156 nan 8.300 nan 0.000 0.497 99 G N -0.418 108.165 108.800 -0.362 0.000 2.176 99 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 99 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 99 G C -0.203 174.196 174.900 -0.836 0.000 0.986 99 G CA 0.152 44.877 45.100 -0.624 0.000 0.643 99 G HN 0.686 nan 8.290 nan 0.000 0.522 100 H N -0.640 118.261 119.070 -0.282 0.000 2.996 100 H HA 0.620 5.176 4.556 -0.000 0.000 0.368 100 H C 0.039 175.436 175.328 0.116 0.000 1.185 100 H CA -0.111 55.876 56.048 -0.102 0.000 1.160 100 H CB 1.509 31.149 29.762 -0.203 0.000 1.820 100 H HN 0.367 nan 8.280 nan 0.000 0.547 101 S N 2.283 118.120 115.700 0.228 0.000 2.525 101 S HA 0.136 4.606 4.470 -0.000 0.000 0.285 101 S C 0.045 174.769 174.600 0.206 0.000 1.283 101 S CA -0.459 57.844 58.200 0.172 0.000 1.072 101 S CB -0.272 62.995 63.200 0.110 0.000 0.867 101 S HN 0.451 nan 8.310 nan 0.000 0.492 102 I N 5.596 126.252 120.570 0.143 0.000 2.342 102 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 102 I C 1.603 177.745 176.117 0.042 0.000 1.010 102 I CA -0.401 60.947 61.300 0.081 0.000 1.308 102 I CB 1.081 39.042 38.000 -0.065 0.000 1.400 102 I HN 0.811 nan 8.210 nan 0.000 0.488 103 N N 4.078 122.792 118.700 0.022 0.000 2.409 103 N HA -0.022 4.718 4.740 -0.000 0.000 0.174 103 N C 0.044 175.503 175.510 -0.084 0.000 1.037 103 N CA 0.840 53.850 53.050 -0.068 0.000 0.898 103 N CB 0.591 38.998 38.487 -0.134 0.000 1.010 103 N HN 0.678 nan 8.380 nan 0.000 0.445 104 D N -1.699 118.690 120.400 -0.019 0.000 2.792 104 D HA 0.210 4.850 4.640 -0.000 0.000 0.335 104 D C -1.694 174.661 176.300 0.092 0.000 1.353 104 D CA -0.330 53.651 54.000 -0.032 0.000 0.839 104 D CB 0.824 41.565 40.800 -0.098 0.000 1.396 104 D HN 0.070 nan 8.370 nan 0.000 0.479 105 Y N -1.531 118.805 120.300 0.061 0.000 2.656 105 Y HA 0.675 5.225 4.550 -0.000 0.000 0.334 105 Y C -1.505 174.481 175.900 0.143 0.000 1.179 105 Y CA -0.933 57.225 58.100 0.096 0.000 1.050 105 Y CB 1.348 39.848 38.460 0.067 0.000 1.308 105 Y HN 0.184 nan 8.280 nan 0.000 0.456 106 S N 2.476 118.447 115.700 0.451 0.000 2.706 106 S HA 0.628 5.098 4.470 -0.000 0.000 0.270 106 S C -1.561 173.419 174.600 0.633 0.000 1.163 106 S CA -0.568 57.890 58.200 0.430 0.000 1.042 106 S CB 0.099 63.488 63.200 0.315 0.000 1.079 106 S HN 0.726 nan 8.310 nan 0.000 0.474 107 I N 3.497 124.307 120.570 0.400 0.000 2.396 107 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 107 I C 0.930 176.910 176.117 -0.228 0.000 0.999 107 I CA -0.552 60.846 61.300 0.163 0.000 1.310 107 I CB 1.693 39.714 38.000 0.034 0.000 1.404 107 I HN 0.489 nan 8.210 nan 0.000 0.496 108 S N 7.190 122.451 115.700 -0.732 0.000 2.568 108 S HA 0.058 4.528 4.470 -0.000 0.000 0.282 108 S C -1.358 172.970 174.600 -0.453 0.000 1.338 108 S CA -0.833 56.623 58.200 -1.239 0.000 1.045 108 S CB 0.754 63.207 63.200 -1.244 0.000 0.873 108 S HN 0.502 nan 8.310 nan 0.000 0.516 109 P HA -0.005 nan 4.420 nan 0.000 0.215 109 P C -0.330 176.920 177.300 -0.084 0.000 1.157 109 P CA 1.065 64.089 63.100 -0.125 0.000 0.863 109 P CB 0.014 31.666 31.700 -0.080 0.000 0.787 110 D N -0.319 120.024 120.400 -0.094 0.000 2.500 110 D HA 0.243 4.883 4.640 -0.000 0.000 0.219 110 D C 1.227 177.516 176.300 -0.017 0.000 1.137 110 D CA -0.171 53.803 54.000 -0.042 0.000 0.946 110 D CB -0.544 40.218 40.800 -0.063 0.000 1.022 110 D HN -0.016 nan 8.370 nan 0.000 0.518 111 G N 1.722 110.523 108.800 0.002 0.000 3.097 111 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.198 111 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.198 111 G C 0.991 175.912 174.900 0.035 0.000 1.199 111 G CA 0.409 45.537 45.100 0.047 0.000 0.985 111 G HN 0.449 nan 8.290 nan 0.000 0.518 112 Q N -1.381 118.397 119.800 -0.036 0.000 2.389 112 Q HA 0.174 4.514 4.340 -0.000 0.000 0.204 112 Q C -0.149 175.467 176.000 -0.641 0.000 0.944 112 Q CA 0.450 56.067 55.803 -0.310 0.000 0.908 112 Q CB 0.483 29.030 28.738 -0.317 0.000 1.002 112 Q HN 0.578 nan 8.270 nan 0.000 0.493 113 F N -0.455 119.464 119.950 -0.051 0.000 2.613 113 F HA 0.544 5.070 4.527 -0.000 0.000 0.314 113 F C -0.549 175.330 175.800 0.132 0.000 1.075 113 F CA -1.178 56.853 58.000 0.052 0.000 0.945 113 F CB 1.863 40.915 39.000 0.087 0.000 1.310 113 F HN -0.210 nan 8.300 nan 0.000 0.467 114 I N 2.399 123.302 120.570 0.555 0.000 2.647 114 I HA 0.432 4.602 4.170 -0.000 0.000 0.295 114 I C -1.643 174.835 176.117 0.601 0.000 1.078 114 I CA -0.830 60.801 61.300 0.551 0.000 1.048 114 I CB 1.897 40.151 38.000 0.423 0.000 1.239 114 I HN 0.472 nan 8.210 nan 0.000 0.421 115 L N 7.670 129.260 121.223 0.611 0.000 2.265 115 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 115 L C -0.864 176.171 176.870 0.275 0.000 1.058 115 L CA -0.625 54.432 54.840 0.361 0.000 0.809 115 L CB 1.048 43.215 42.059 0.180 0.000 1.179 115 L HN 0.494 nan 8.230 nan 0.000 0.429 116 L N 4.707 126.031 121.223 0.168 0.000 2.282 116 L HA 0.435 4.775 4.340 -0.000 0.000 0.288 116 L C -0.021 176.947 176.870 0.163 0.000 1.033 116 L CA -0.377 54.477 54.840 0.023 0.000 0.807 116 L CB 1.624 43.442 42.059 -0.401 0.000 1.209 116 L HN 0.587 nan 8.230 nan 0.000 0.423 117 E N 3.854 124.127 120.200 0.121 0.000 2.134 117 E HA 0.420 4.770 4.350 -0.000 0.000 0.278 117 E C -1.599 174.998 176.600 -0.005 0.000 0.959 117 E CA -0.518 55.843 56.400 -0.066 0.000 0.783 117 E CB 1.134 30.878 29.700 0.073 0.000 1.095 117 E HN 0.463 nan 8.360 nan 0.000 0.399 118 Y N 1.773 121.917 120.300 -0.260 0.000 2.677 118 Y HA 0.443 4.993 4.550 -0.000 0.000 0.334 118 Y C -0.060 175.740 175.900 -0.167 0.000 1.154 118 Y CA -1.532 56.488 58.100 -0.133 0.000 1.070 118 Y CB 0.530 38.983 38.460 -0.011 0.000 1.294 118 Y HN 0.461 nan 8.280 nan 0.000 0.475 119 N N 0.066 118.744 118.700 -0.037 0.000 2.716 119 N HA -0.302 4.438 4.740 -0.000 0.000 0.250 119 N C -1.012 174.450 175.510 -0.080 0.000 1.033 119 N CA 1.044 54.034 53.050 -0.099 0.000 0.727 119 N CB -1.454 36.877 38.487 -0.260 0.000 0.950 119 N HN 0.834 nan 8.380 nan 0.000 0.541 120 Y N -0.012 120.191 120.300 -0.161 0.000 2.620 120 Y HA 0.290 4.840 4.550 -0.000 0.000 0.330 120 Y C -0.017 175.821 175.900 -0.103 0.000 1.186 120 Y CA -0.072 57.933 58.100 -0.158 0.000 1.467 120 Y CB 0.707 39.025 38.460 -0.237 0.000 1.262 120 Y HN -0.010 nan 8.280 nan 0.000 0.550 121 V N 7.645 127.263 119.914 -0.494 0.000 2.525 121 V HA 0.272 4.392 4.120 -0.000 0.000 0.299 121 V C -0.371 175.320 176.094 -0.671 0.000 1.034 121 V CA -1.484 60.541 62.300 -0.458 0.000 0.863 121 V CB 1.510 33.197 31.823 -0.227 0.000 0.999 121 V HN 0.762 nan 8.190 nan 0.000 0.423 122 K N 3.256 123.287 120.400 -0.614 0.000 2.185 122 K HA 0.380 4.700 4.320 -0.000 0.000 0.271 122 K C 0.291 176.693 176.600 -0.330 0.000 1.013 122 K CA -0.126 55.897 56.287 -0.439 0.000 0.943 122 K CB 1.554 33.971 32.500 -0.139 0.000 0.998 122 K HN 0.837 nan 8.250 nan 0.000 0.468 123 Q N 2.622 122.201 119.800 -0.368 0.000 2.679 123 Q HA 0.171 4.511 4.340 -0.000 0.000 0.255 123 Q C -0.037 175.650 176.000 -0.523 0.000 1.053 123 Q CA -0.318 55.071 55.803 -0.691 0.000 0.620 123 Q CB 0.085 28.280 28.738 -0.906 0.000 3.775 123 Q HN 0.698 nan 8.270 nan 0.000 0.446 124 W N 0.166 121.448 121.300 -0.030 0.000 1.763 124 W HA 0.371 5.031 4.660 -0.000 0.000 0.619 124 W C 1.866 178.351 176.519 -0.056 0.000 1.755 124 W CA -0.662 56.679 57.345 -0.006 0.000 1.933 124 W CB -0.185 29.233 29.460 -0.071 0.000 3.002 124 W HN 0.275 nan 8.180 nan 0.000 0.782 125 R N -0.673 119.902 120.500 0.124 0.000 2.092 125 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 125 R C 1.502 177.630 176.300 -0.287 0.000 1.119 125 R CA 1.890 57.894 56.100 -0.161 0.000 0.970 125 R CB -0.320 29.750 30.300 -0.385 0.000 0.864 125 R HN 0.564 nan 8.270 nan 0.000 0.440 126 H N -1.609 117.537 119.070 0.127 0.000 3.017 126 H HA 0.183 4.739 4.556 -0.000 0.000 0.255 126 H C 0.286 175.712 175.328 0.163 0.000 0.990 126 H CA 0.185 56.341 56.048 0.180 0.000 1.205 126 H CB 0.672 30.519 29.762 0.141 0.000 1.460 126 H HN 0.099 nan 8.280 nan 0.000 0.478 127 S N 0.968 116.644 115.700 -0.040 0.000 2.584 127 S HA 0.414 4.884 4.470 -0.000 0.000 0.273 127 S C -0.547 173.933 174.600 -0.200 0.000 1.311 127 S CA -0.608 57.233 58.200 -0.599 0.000 1.034 127 S CB 0.710 63.129 63.200 -1.302 0.000 0.939 127 S HN 0.450 nan 8.310 nan 0.000 0.513 128 Y N -2.233 117.931 120.300 -0.226 0.000 2.741 128 Y HA 0.725 5.275 4.550 -0.000 0.000 0.339 128 Y C -0.761 175.116 175.900 -0.038 0.000 1.226 128 Y CA -1.138 56.828 58.100 -0.223 0.000 1.072 128 Y CB 0.966 39.231 38.460 -0.325 0.000 1.331 128 Y HN 0.662 nan 8.280 nan 0.000 0.453 129 T N 1.008 115.621 114.554 0.099 0.000 2.885 129 T HA 0.906 5.256 4.350 -0.000 0.000 0.285 129 T C -1.028 173.735 174.700 0.105 0.000 1.019 129 T CA 0.138 62.292 62.100 0.090 0.000 1.010 129 T CB 0.964 69.822 68.868 -0.018 0.000 1.022 129 T HN 1.400 nan 8.240 nan 0.000 0.466 130 A N 2.435 125.290 122.820 0.058 0.000 2.602 130 A HA 0.784 5.104 4.320 -0.000 0.000 0.290 130 A C -0.592 176.733 177.584 -0.431 0.000 1.114 130 A CA -0.732 51.173 52.037 -0.220 0.000 0.683 130 A CB 1.514 20.323 19.000 -0.318 0.000 1.281 130 A HN 0.728 nan 8.150 nan 0.000 0.416 131 S N -0.589 114.656 115.700 -0.759 0.000 2.654 131 S HA 0.755 5.225 4.470 -0.000 0.000 0.283 131 S C -1.482 172.456 174.600 -1.104 0.000 1.180 131 S CA 0.022 57.697 58.200 -0.875 0.000 1.021 131 S CB 0.501 62.961 63.200 -1.233 0.000 1.018 131 S HN 0.439 nan 8.310 nan 0.000 0.532 132 Y N 0.323 120.436 120.300 -0.312 0.000 2.433 132 Y HA 0.395 4.944 4.550 -0.000 0.000 0.337 132 Y C -0.202 175.756 175.900 0.097 0.000 1.026 132 Y CA -0.917 57.132 58.100 -0.085 0.000 1.037 132 Y CB 1.583 39.933 38.460 -0.183 0.000 1.245 132 Y HN 0.524 nan 8.280 nan 0.000 0.443 133 D N 2.660 123.277 120.400 0.362 0.000 2.340 133 D HA 0.600 5.240 4.640 -0.000 0.000 0.243 133 D C -0.727 175.688 176.300 0.192 0.000 0.988 133 D CA -0.297 53.864 54.000 0.268 0.000 0.959 133 D CB 2.364 43.343 40.800 0.298 0.000 1.226 133 D HN 0.393 nan 8.370 nan 0.000 0.509 134 I N 1.400 122.086 120.570 0.193 0.000 2.466 134 I HA 0.181 4.350 4.170 -0.000 0.000 0.289 134 I C -1.194 175.130 176.117 0.344 0.000 1.026 134 I CA -0.913 60.542 61.300 0.258 0.000 1.078 134 I CB 1.856 39.968 38.000 0.186 0.000 1.249 134 I HN 0.229 nan 8.210 nan 0.000 0.429 135 Y N 5.798 126.266 120.300 0.281 0.000 2.353 135 Y HA 0.257 4.807 4.550 -0.000 0.000 0.340 135 Y C 0.088 176.153 175.900 0.274 0.000 0.972 135 Y CA -0.456 57.808 58.100 0.273 0.000 1.157 135 Y CB 0.832 39.488 38.460 0.327 0.000 1.157 135 Y HN 0.475 nan 8.280 nan 0.000 0.495 136 D N 5.802 126.145 120.400 -0.096 0.000 2.339 136 D HA 0.038 4.678 4.640 -0.000 0.000 0.256 136 D C 0.504 176.546 176.300 -0.429 0.000 1.214 136 D CA 0.479 54.334 54.000 -0.242 0.000 0.877 136 D CB 1.101 41.794 40.800 -0.179 0.000 1.111 136 D HN 0.846 nan 8.370 nan 0.000 0.478 137 L N 3.826 124.871 121.223 -0.297 0.000 2.131 137 L HA 0.005 4.345 4.340 -0.000 0.000 0.206 137 L C 2.005 178.748 176.870 -0.211 0.000 1.087 137 L CA 0.372 55.124 54.840 -0.145 0.000 0.767 137 L CB -0.181 41.818 42.059 -0.100 0.000 0.917 137 L HN 0.457 nan 8.230 nan 0.000 0.441 138 N N 0.705 119.246 118.700 -0.265 0.000 2.626 138 N HA -0.045 4.695 4.740 -0.000 0.000 0.193 138 N C -0.424 174.983 175.510 -0.173 0.000 1.213 138 N CA 0.696 53.627 53.050 -0.199 0.000 0.914 138 N CB 0.208 38.581 38.487 -0.190 0.000 0.994 138 N HN 0.405 nan 8.380 nan 0.000 0.447 139 K N -0.292 119.982 120.400 -0.211 0.000 2.532 139 K HA 0.320 4.640 4.320 -0.000 0.000 0.265 139 K C -0.522 175.923 176.600 -0.257 0.000 0.948 139 K CA -0.683 55.491 56.287 -0.188 0.000 0.842 139 K CB 1.716 34.113 32.500 -0.172 0.000 1.392 139 K HN -0.162 nan 8.250 nan 0.000 0.436 140 R N 1.822 122.217 120.500 -0.175 0.000 4.779 140 R HA 0.070 4.410 4.340 -0.000 0.000 0.217 140 R C -0.436 175.720 176.300 -0.240 0.000 1.934 140 R CA 0.238 56.255 56.100 -0.138 0.000 1.623 140 R CB -0.064 30.223 30.300 -0.022 0.000 1.364 140 R HN 0.367 nan 8.270 nan 0.000 0.799 141 Q N 0.830 120.314 119.800 -0.526 0.000 2.347 141 Q HA 0.336 4.676 4.340 -0.000 0.000 0.271 141 Q C -0.865 174.941 176.000 -0.322 0.000 1.064 141 Q CA -0.793 54.828 55.803 -0.305 0.000 0.800 141 Q CB 2.780 31.425 28.738 -0.155 0.000 1.304 141 Q HN 0.223 nan 8.270 nan 0.000 0.438 142 L N 3.360 124.587 121.223 0.007 0.000 2.397 142 L HA 0.368 4.708 4.340 -0.000 0.000 0.271 142 L C 0.365 177.293 176.870 0.097 0.000 1.148 142 L CA -0.484 54.451 54.840 0.158 0.000 0.825 142 L CB 0.352 42.584 42.059 0.289 0.000 1.117 142 L HN 0.583 nan 8.230 nan 0.000 0.456 143 I N -0.416 120.224 120.570 0.116 0.000 2.474 143 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 143 I C 0.579 176.742 176.117 0.075 0.000 1.048 143 I CA 0.142 61.492 61.300 0.083 0.000 1.383 143 I CB 1.327 39.375 38.000 0.080 0.000 1.412 143 I HN 0.493 nan 8.210 nan 0.000 0.531 144 T N 4.643 119.228 114.554 0.051 0.000 3.040 144 T HA 0.202 4.552 4.350 -0.000 0.000 0.250 144 T C 0.244 174.955 174.700 0.018 0.000 1.058 144 T CA 0.196 62.321 62.100 0.042 0.000 0.988 144 T CB -0.188 68.703 68.868 0.037 0.000 0.993 144 T HN 0.723 nan 8.240 nan 0.000 0.519 145 E N 1.261 121.465 120.200 0.007 0.000 2.235 145 E HA 0.353 4.703 4.350 -0.000 0.000 0.265 145 E C -0.558 176.022 176.600 -0.034 0.000 0.940 145 E CA -0.864 55.528 56.400 -0.014 0.000 0.819 145 E CB 0.900 30.593 29.700 -0.011 0.000 1.206 145 E HN -0.057 nan 8.360 nan 0.000 0.409 146 E N 1.115 121.282 120.200 -0.055 0.000 2.199 146 E HA -0.247 4.103 4.350 -0.000 0.000 0.208 146 E C -0.715 175.825 176.600 -0.100 0.000 1.310 146 E CA 0.846 57.198 56.400 -0.081 0.000 0.709 146 E CB -1.355 28.304 29.700 -0.068 0.000 1.127 146 E HN 0.424 nan 8.360 nan 0.000 0.354 147 R N -0.051 120.382 120.500 -0.112 0.000 2.539 147 R HA 0.369 4.709 4.340 -0.000 0.000 0.275 147 R C 1.148 177.297 176.300 -0.251 0.000 1.077 147 R CA -0.678 55.346 56.100 -0.127 0.000 1.097 147 R CB 0.701 30.956 30.300 -0.074 0.000 1.018 147 R HN 0.175 nan 8.270 nan 0.000 0.483 148 I N 5.052 125.434 120.570 -0.313 0.000 2.752 148 I HA -0.029 4.141 4.170 -0.000 0.000 0.289 148 I C -1.628 174.199 176.117 -0.485 0.000 1.197 148 I CA -1.259 59.680 61.300 -0.600 0.000 1.432 148 I CB 0.361 38.033 38.000 -0.545 0.000 1.359 148 I HN 0.312 nan 8.210 nan 0.000 0.571 149 P HA 0.101 nan 4.420 nan 0.000 0.272 149 P C -0.810 176.333 177.300 -0.261 0.000 1.240 149 P CA -0.441 62.340 63.100 -0.532 0.000 0.791 149 P CB 0.373 31.418 31.700 -1.092 0.000 0.978 150 N N 1.570 120.189 118.700 -0.134 0.000 2.340 150 N HA -0.017 4.723 4.740 -0.000 0.000 0.236 150 N C 0.663 176.251 175.510 0.129 0.000 1.296 150 N CA 0.324 53.340 53.050 -0.056 0.000 0.896 150 N CB -0.640 37.820 38.487 -0.044 0.000 1.127 150 N HN 0.418 nan 8.380 nan 0.000 0.442 151 N N -1.584 117.150 118.700 0.056 0.000 2.725 151 N HA -0.174 4.566 4.740 -0.000 0.000 0.249 151 N C -0.786 174.861 175.510 0.228 0.000 1.103 151 N CA 0.777 53.888 53.050 0.100 0.000 0.707 151 N CB -1.694 36.840 38.487 0.078 0.000 1.043 151 N HN 0.481 nan 8.380 nan 0.000 0.553 152 T N 0.657 115.364 114.554 0.256 0.000 2.919 152 T HA 0.104 4.454 4.350 -0.000 0.000 0.302 152 T C 1.685 176.538 174.700 0.254 0.000 1.031 152 T CA 0.159 62.444 62.100 0.309 0.000 1.127 152 T CB 1.259 70.238 68.868 0.186 0.000 0.952 152 T HN 0.179 nan 8.240 nan 0.000 0.540 153 Q N 1.277 121.219 119.800 0.236 0.000 2.339 153 Q HA 0.183 4.523 4.340 -0.000 0.000 0.205 153 Q C 0.034 176.191 176.000 0.262 0.000 0.925 153 Q CA 0.301 56.250 55.803 0.243 0.000 0.898 153 Q CB 0.819 29.673 28.738 0.194 0.000 1.013 153 Q HN 0.691 nan 8.270 nan 0.000 0.504 154 W N -0.118 121.152 121.300 -0.051 0.000 3.419 154 W HA 0.466 5.126 4.660 -0.000 0.000 0.298 154 W C -2.277 174.170 176.519 -0.121 0.000 1.260 154 W CA -0.592 56.674 57.345 -0.132 0.000 1.199 154 W CB 1.177 30.498 29.460 -0.231 0.000 1.349 154 W HN -0.358 nan 8.180 nan 0.000 0.557 155 V N 2.858 122.047 119.914 -1.208 0.000 2.888 155 V HA 0.739 4.859 4.120 -0.000 0.000 0.309 155 V C -0.543 174.994 176.094 -0.928 0.000 1.114 155 V CA -0.623 61.154 62.300 -0.872 0.000 0.940 155 V CB 2.087 33.291 31.823 -1.032 0.000 1.021 155 V HN 0.506 nan 8.190 nan 0.000 0.426 156 T N 1.227 115.558 114.554 -0.371 0.000 3.041 156 T HA 0.418 4.768 4.350 -0.000 0.000 0.321 156 T C -1.055 173.664 174.700 0.032 0.000 1.184 156 T CA -0.577 61.469 62.100 -0.091 0.000 1.050 156 T CB 1.189 70.283 68.868 0.377 0.000 1.159 156 T HN 0.564 nan 8.240 nan 0.000 0.469 157 W N 2.489 123.822 121.300 0.055 0.000 2.150 157 W HA 0.410 5.070 4.660 -0.000 0.000 0.341 157 W C 1.218 177.584 176.519 -0.256 0.000 1.276 157 W CA -0.601 56.715 57.345 -0.048 0.000 1.238 157 W CB 0.489 29.931 29.460 -0.030 0.000 1.128 157 W HN 0.738 nan 8.180 nan 0.000 0.581 158 S N 1.650 117.061 115.700 -0.482 0.000 2.608 158 S HA 0.141 4.611 4.470 -0.000 0.000 0.261 158 S C -1.834 172.540 174.600 -0.377 0.000 1.314 158 S CA -0.972 56.499 58.200 -1.216 0.000 0.992 158 S CB 0.651 62.979 63.200 -1.453 0.000 0.935 158 S HN 0.295 nan 8.310 nan 0.000 0.564 159 P HA 0.076 nan 4.420 nan 0.000 0.222 159 P C 0.202 177.463 177.300 -0.064 0.000 1.153 159 P CA 0.567 63.638 63.100 -0.048 0.000 0.798 159 P CB -0.185 31.526 31.700 0.018 0.000 0.796 160 V N -5.896 113.941 119.914 -0.128 0.000 2.962 160 V HA 0.907 5.027 4.120 -0.000 0.000 0.313 160 V C 0.366 176.358 176.094 -0.170 0.000 1.099 160 V CA -0.260 61.974 62.300 -0.110 0.000 0.971 160 V CB 1.042 32.815 31.823 -0.083 0.000 1.028 160 V HN 0.430 nan 8.190 nan 0.000 0.430 161 G N 2.769 111.467 108.800 -0.170 0.000 2.496 161 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.243 161 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.243 161 G C 0.168 174.948 174.900 -0.200 0.000 1.176 161 G CA 0.755 45.695 45.100 -0.266 0.000 0.940 161 G HN 2.538 nan 8.290 nan 0.000 0.573 162 H N -0.953 118.093 119.070 -0.040 0.000 3.346 162 H HA 0.365 4.921 4.556 -0.000 0.000 0.253 162 H C 0.245 175.691 175.328 0.196 0.000 1.204 162 H CA -0.177 55.892 56.048 0.035 0.000 0.996 162 H CB -0.165 29.614 29.762 0.030 0.000 2.713 162 H HN 0.488 nan 8.280 nan 0.000 0.690 163 K N 1.865 122.372 120.400 0.179 0.000 2.319 163 K HA 0.386 4.706 4.320 -0.000 0.000 0.265 163 K C -0.463 176.238 176.600 0.168 0.000 1.000 163 K CA -0.112 56.248 56.287 0.123 0.000 0.943 163 K CB 1.521 33.949 32.500 -0.120 0.000 0.950 163 K HN 0.147 nan 8.250 nan 0.000 0.485 164 L N 1.090 122.436 121.223 0.204 0.000 2.370 164 L HA 0.635 4.975 4.340 -0.000 0.000 0.266 164 L C -0.838 176.233 176.870 0.335 0.000 1.002 164 L CA -0.824 54.099 54.840 0.139 0.000 0.818 164 L CB 2.146 44.137 42.059 -0.113 0.000 1.325 164 L HN 0.705 nan 8.230 nan 0.000 0.418 165 A N 1.935 124.957 122.820 0.336 0.000 2.398 165 A HA 0.825 5.145 4.320 -0.000 0.000 0.301 165 A C -1.658 175.985 177.584 0.099 0.000 1.041 165 A CA -0.392 51.752 52.037 0.179 0.000 0.711 165 A CB 1.248 20.330 19.000 0.136 0.000 1.240 165 A HN 0.643 nan 8.150 nan 0.000 0.420 166 Y N -0.746 119.550 120.300 -0.007 0.000 2.615 166 Y HA 0.803 5.353 4.550 -0.000 0.000 0.341 166 Y C -1.208 174.736 175.900 0.073 0.000 1.089 166 Y CA -1.673 56.404 58.100 -0.038 0.000 1.049 166 Y CB 1.136 39.505 38.460 -0.152 0.000 1.296 166 Y HN 0.418 nan 8.280 nan 0.000 0.470 167 V N 1.748 121.861 119.914 0.332 0.000 2.487 167 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 167 V C -1.531 174.812 176.094 0.415 0.000 1.028 167 V CA -0.669 61.793 62.300 0.270 0.000 0.860 167 V CB 1.406 33.288 31.823 0.097 0.000 0.991 167 V HN 0.884 nan 8.190 nan 0.000 0.427 168 W N 4.876 126.305 121.300 0.215 0.000 3.259 168 W HA 0.446 5.105 4.660 -0.000 0.000 0.331 168 W C 0.338 176.927 176.519 0.116 0.000 1.144 168 W CA -0.541 56.883 57.345 0.132 0.000 1.227 168 W CB 1.352 30.851 29.460 0.065 0.000 1.371 168 W HN 0.772 nan 8.180 nan 0.000 0.491 169 N N 5.153 123.508 118.700 -0.575 0.000 2.716 169 N HA -0.350 4.390 4.740 -0.000 0.000 0.250 169 N C -0.009 175.386 175.510 -0.192 0.000 1.033 169 N CA 1.095 53.837 53.050 -0.514 0.000 0.727 169 N CB -0.815 37.191 38.487 -0.802 0.000 0.950 169 N HN 0.719 nan 8.380 nan 0.000 0.541 170 N N -1.649 116.998 118.700 -0.089 0.000 2.909 170 N HA -0.147 4.593 4.740 -0.000 0.000 0.242 170 N C -1.279 174.200 175.510 -0.052 0.000 0.975 170 N CA 1.609 54.626 53.050 -0.055 0.000 0.921 170 N CB -0.532 37.879 38.487 -0.128 0.000 1.112 170 N HN 0.532 nan 8.380 nan 0.000 0.581 171 D N -0.167 120.220 120.400 -0.021 0.000 2.350 171 D HA 0.502 5.142 4.640 -0.000 0.000 0.238 171 D C 0.491 176.705 176.300 -0.144 0.000 0.989 171 D CA -0.433 53.480 54.000 -0.144 0.000 0.921 171 D CB 1.316 41.974 40.800 -0.236 0.000 1.297 171 D HN -0.008 nan 8.370 nan 0.000 0.490 172 I N 1.498 121.816 120.570 -0.419 0.000 2.385 172 I HA 0.249 4.419 4.170 -0.000 0.000 0.294 172 I C -0.705 175.007 176.117 -0.675 0.000 0.988 172 I CA -0.503 60.533 61.300 -0.439 0.000 1.265 172 I CB 0.615 38.260 38.000 -0.592 0.000 1.388 172 I HN 0.157 nan 8.210 nan 0.000 0.480 173 Y N 4.066 124.014 120.300 -0.587 0.000 2.536 173 Y HA 0.649 5.199 4.550 -0.000 0.000 0.347 173 Y C -0.276 175.257 175.900 -0.613 0.000 1.000 173 Y CA -0.943 56.753 58.100 -0.673 0.000 1.051 173 Y CB 2.076 39.901 38.460 -1.058 0.000 1.259 173 Y HN 0.116 nan 8.280 nan 0.000 0.468 174 V N 2.321 122.148 119.914 -0.145 0.000 2.656 174 V HA 0.466 4.586 4.120 -0.000 0.000 0.307 174 V C -0.868 175.331 176.094 0.175 0.000 1.051 174 V CA -1.398 60.919 62.300 0.029 0.000 0.893 174 V CB 2.031 33.914 31.823 0.100 0.000 0.999 174 V HN 0.611 nan 8.190 nan 0.000 0.426 175 K N 3.959 124.476 120.400 0.195 0.000 2.358 175 K HA 0.515 4.835 4.320 -0.000 0.000 0.260 175 K C 0.205 176.938 176.600 0.221 0.000 0.956 175 K CA -0.737 55.667 56.287 0.195 0.000 0.834 175 K CB 1.883 34.460 32.500 0.129 0.000 1.102 175 K HN 0.430 nan 8.250 nan 0.000 0.431 176 I N 1.167 121.889 120.570 0.253 0.000 2.480 176 I HA -0.013 4.157 4.170 -0.000 0.000 0.251 176 I C 0.378 176.610 176.117 0.192 0.000 1.124 176 I CA 1.338 62.770 61.300 0.220 0.000 1.444 176 I CB -0.116 38.018 38.000 0.223 0.000 1.098 176 I HN 0.556 nan 8.210 nan 0.000 0.428 177 E N -0.169 120.103 120.200 0.119 0.000 2.293 177 E HA 0.280 4.630 4.350 -0.000 0.000 0.270 177 E C -1.857 174.680 176.600 -0.106 0.000 0.879 177 E CA -1.984 54.414 56.400 -0.003 0.000 0.756 177 E CB 1.990 31.703 29.700 0.022 0.000 1.208 177 E HN -0.185 nan 8.360 nan 0.000 0.428 178 P HA -0.200 nan 4.420 nan 0.000 0.218 178 P C 0.676 177.893 177.300 -0.138 0.000 1.154 178 P CA 1.581 64.496 63.100 -0.308 0.000 0.872 178 P CB 0.263 31.542 31.700 -0.702 0.000 0.790 179 N N -1.982 116.664 118.700 -0.091 0.000 2.270 179 N HA 0.021 4.761 4.740 -0.000 0.000 0.198 179 N C 0.019 175.513 175.510 -0.027 0.000 1.117 179 N CA 0.294 53.324 53.050 -0.034 0.000 0.845 179 N CB -0.291 38.197 38.487 0.002 0.000 0.980 179 N HN 0.054 nan 8.380 nan 0.000 0.486 180 L N 0.800 122.007 121.223 -0.027 0.000 2.352 180 L HA 0.607 4.947 4.340 -0.000 0.000 0.269 180 L C -2.171 174.662 176.870 -0.061 0.000 1.034 180 L CA -2.173 52.651 54.840 -0.027 0.000 0.806 180 L CB 1.014 43.078 42.059 0.008 0.000 1.244 180 L HN -0.161 nan 8.230 nan 0.000 0.447 181 P HA 0.016 nan 4.420 nan 0.000 0.266 181 P C -0.532 176.629 177.300 -0.232 0.000 1.193 181 P CA 0.028 63.032 63.100 -0.160 0.000 0.770 181 P CB 0.366 31.948 31.700 -0.197 0.000 0.836 182 S N 1.681 117.286 115.700 -0.158 0.000 2.632 182 S HA 0.393 4.863 4.470 -0.000 0.000 0.271 182 S C -0.732 173.711 174.600 -0.262 0.000 1.260 182 S CA -0.451 57.684 58.200 -0.109 0.000 1.010 182 S CB 0.159 63.394 63.200 0.058 0.000 0.965 182 S HN 0.243 nan 8.310 nan 0.000 0.534 183 Y N 0.364 120.683 120.300 0.032 0.000 2.326 183 Y HA 0.455 5.005 4.550 -0.000 0.000 0.337 183 Y C 0.813 176.648 175.900 -0.108 0.000 1.023 183 Y CA -0.763 57.336 58.100 -0.001 0.000 1.143 183 Y CB 0.973 39.431 38.460 -0.003 0.000 1.183 183 Y HN 0.668 nan 8.280 nan 0.000 0.485 184 R N 3.632 124.082 120.500 -0.083 0.000 2.298 184 R HA 0.255 4.595 4.340 -0.000 0.000 0.310 184 R C 0.075 176.100 176.300 -0.457 0.000 1.068 184 R CA -0.043 55.705 56.100 -0.588 0.000 0.957 184 R CB 0.269 30.063 30.300 -0.843 0.000 1.003 184 R HN 0.768 nan 8.270 nan 0.000 0.454 185 I N 2.225 122.443 120.570 -0.586 0.000 2.810 185 I HA 0.003 4.173 4.170 -0.000 0.000 0.262 185 I C 1.034 176.931 176.117 -0.367 0.000 1.131 185 I CA 0.792 61.875 61.300 -0.362 0.000 1.453 185 I CB -0.687 37.077 38.000 -0.394 0.000 1.161 185 I HN 0.660 nan 8.210 nan 0.000 0.444 186 T N -3.538 110.663 114.554 -0.588 0.000 2.940 186 T HA 0.398 4.748 4.350 -0.000 0.000 0.288 186 T C -0.491 173.870 174.700 -0.565 0.000 1.033 186 T CA -0.474 61.382 62.100 -0.408 0.000 1.033 186 T CB 2.052 70.686 68.868 -0.389 0.000 1.079 186 T HN 0.213 nan 8.240 nan 0.000 0.496 187 W N -0.086 121.116 121.300 -0.163 0.000 2.324 187 W HA 0.227 4.887 4.660 -0.000 0.000 0.316 187 W C 1.832 178.310 176.519 -0.067 0.000 0.927 187 W CA -0.145 57.140 57.345 -0.100 0.000 1.438 187 W CB 0.324 29.741 29.460 -0.072 0.000 1.085 187 W HN 0.911 nan 8.180 nan 0.000 0.532 188 T N -2.661 111.946 114.554 0.087 0.000 3.086 188 T HA 0.297 4.647 4.350 -0.000 0.000 0.250 188 T C 1.187 175.893 174.700 0.011 0.000 1.074 188 T CA 0.148 62.283 62.100 0.059 0.000 0.988 188 T CB -0.099 68.800 68.868 0.052 0.000 0.988 188 T HN -0.003 nan 8.240 nan 0.000 0.530 189 G N 1.347 110.128 108.800 -0.031 0.000 2.353 189 G HA2 0.372 4.332 3.960 -0.000 0.000 0.239 189 G HA3 0.372 4.332 3.960 -0.000 0.000 0.239 189 G C -0.617 174.238 174.900 -0.074 0.000 1.295 189 G CA -0.420 44.641 45.100 -0.065 0.000 0.884 189 G HN 0.582 nan 8.290 nan 0.000 0.537 190 K N 1.938 122.267 120.400 -0.119 0.000 2.589 190 K HA 0.180 4.500 4.320 -0.000 0.000 0.253 190 K C -0.257 176.221 176.600 -0.204 0.000 0.974 190 K CA -0.650 55.563 56.287 -0.123 0.000 0.835 190 K CB 1.627 34.087 32.500 -0.067 0.000 1.272 190 K HN 0.593 nan 8.250 nan 0.000 0.444 191 E N 2.794 122.884 120.200 -0.183 0.000 2.568 191 E HA -0.141 4.208 4.350 -0.000 0.000 0.262 191 E C -0.444 176.044 176.600 -0.187 0.000 0.961 191 E CA 1.050 57.332 56.400 -0.196 0.000 0.945 191 E CB 0.307 29.930 29.700 -0.129 0.000 0.924 191 E HN 0.652 nan 8.360 nan 0.000 0.467 192 D N 2.209 122.472 120.400 -0.228 0.000 3.059 192 D HA -0.256 4.384 4.640 -0.000 0.000 0.222 192 D C 0.570 176.847 176.300 -0.038 0.000 1.185 192 D CA 1.506 55.470 54.000 -0.061 0.000 0.904 192 D CB -0.719 40.117 40.800 0.059 0.000 1.122 192 D HN 0.479 nan 8.370 nan 0.000 0.410 193 I N -1.341 119.114 120.570 -0.192 0.000 3.814 193 I HA 0.055 4.225 4.170 -0.000 0.000 0.264 193 I C 0.428 176.559 176.117 0.023 0.000 1.145 193 I CA -0.078 61.214 61.300 -0.013 0.000 1.375 193 I CB 0.663 38.657 38.000 -0.011 0.000 1.638 193 I HN -0.174 nan 8.210 nan 0.000 0.432 194 I N 1.512 122.026 120.570 -0.093 0.000 2.406 194 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 194 I C -1.400 174.696 176.117 -0.035 0.000 0.999 194 I CA -0.461 60.861 61.300 0.036 0.000 1.124 194 I CB 0.964 38.986 38.000 0.036 0.000 1.289 194 I HN 0.049 nan 8.210 nan 0.000 0.441 195 Y N 4.745 125.132 120.300 0.145 0.000 2.326 195 Y HA 0.401 4.951 4.550 -0.000 0.000 0.331 195 Y C 0.299 176.269 175.900 0.117 0.000 0.962 195 Y CA -0.741 57.449 58.100 0.150 0.000 1.167 195 Y CB 1.258 39.871 38.460 0.255 0.000 1.148 195 Y HN 0.409 nan 8.280 nan 0.000 0.463 196 N N 2.241 121.026 118.700 0.142 0.000 2.446 196 N HA 0.353 5.093 4.740 -0.000 0.000 0.265 196 N C 0.782 176.262 175.510 -0.049 0.000 0.975 196 N CA 0.399 53.465 53.050 0.026 0.000 0.928 196 N CB 1.896 40.293 38.487 -0.150 0.000 1.160 196 N HN 0.992 nan 8.380 nan 0.000 0.495 197 G N 1.576 110.374 108.800 -0.003 0.000 2.179 197 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 197 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 197 G C 0.131 174.933 174.900 -0.163 0.000 0.977 197 G CA 0.776 45.809 45.100 -0.112 0.000 0.641 197 G HN 0.657 nan 8.290 nan 0.000 0.533 198 I N -1.972 118.562 120.570 -0.060 0.000 3.042 198 I HA 0.842 5.012 4.170 -0.000 0.000 0.310 198 I C 0.276 176.443 176.117 0.083 0.000 1.117 198 I CA -0.698 60.475 61.300 -0.211 0.000 1.003 198 I CB 2.030 39.702 38.000 -0.548 0.000 1.228 198 I HN 0.168 nan 8.210 nan 0.000 0.443 199 T N -0.657 113.861 114.554 -0.061 0.000 2.922 199 T HA 0.373 4.723 4.350 -0.000 0.000 0.285 199 T C -0.177 174.251 174.700 -0.452 0.000 1.005 199 T CA -0.679 61.179 62.100 -0.404 0.000 1.061 199 T CB 1.407 70.047 68.868 -0.379 0.000 1.007 199 T HN 0.780 nan 8.240 nan 0.000 0.502 200 D N 0.711 120.560 120.400 -0.918 0.000 2.440 200 D HA -0.004 4.636 4.640 -0.000 0.000 0.269 200 D C 0.927 177.086 176.300 -0.234 0.000 1.249 200 D CA -0.982 52.519 54.000 -0.832 0.000 1.055 200 D CB 0.150 40.452 40.800 -0.830 0.000 1.104 200 D HN 0.709 nan 8.370 nan 0.000 0.561 201 W N -0.135 121.051 121.300 -0.190 0.000 2.355 201 W HA -0.171 4.489 4.660 -0.000 0.000 0.309 201 W C 2.085 178.450 176.519 -0.256 0.000 1.206 201 W CA 2.574 59.804 57.345 -0.191 0.000 1.284 201 W CB -0.241 29.078 29.460 -0.235 0.000 1.145 201 W HN 0.214 nan 8.180 nan 0.000 0.502 202 V N -1.699 118.267 119.914 0.086 0.000 2.379 202 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 202 V C 1.783 177.652 176.094 -0.374 0.000 1.044 202 V CA 1.579 63.815 62.300 -0.107 0.000 1.036 202 V CB -1.769 29.951 31.823 -0.172 0.000 0.664 202 V HN 0.190 nan 8.190 nan 0.000 0.453 203 Y N 1.394 121.416 120.300 -0.464 0.000 2.224 203 Y HA -0.200 4.350 4.550 -0.000 0.000 0.289 203 Y C 2.829 178.414 175.900 -0.524 0.000 1.146 203 Y CA 2.233 59.943 58.100 -0.649 0.000 1.182 203 Y CB -0.166 37.634 38.460 -1.101 0.000 0.983 203 Y HN 0.401 nan 8.280 nan 0.000 0.524 204 E N 0.216 120.244 120.200 -0.287 0.000 2.028 204 E HA -0.272 4.077 4.350 -0.000 0.000 0.191 204 E C 2.030 178.539 176.600 -0.152 0.000 0.988 204 E CA 1.553 57.864 56.400 -0.147 0.000 0.799 204 E CB -0.038 29.606 29.700 -0.095 0.000 0.755 204 E HN 0.377 nan 8.360 nan 0.000 0.447 205 E N 0.077 120.023 120.200 -0.423 0.000 2.060 205 E HA -0.121 4.229 4.350 -0.000 0.000 0.189 205 E C 1.762 178.222 176.600 -0.233 0.000 0.974 205 E CA 1.391 57.539 56.400 -0.420 0.000 0.808 205 E CB 0.184 29.259 29.700 -1.042 0.000 0.768 205 E HN 0.235 nan 8.360 nan 0.000 0.453 206 E N -0.709 119.325 120.200 -0.277 0.000 2.290 206 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 206 E C 2.050 178.543 176.600 -0.178 0.000 0.948 206 E CA 0.649 56.945 56.400 -0.173 0.000 0.895 206 E CB 0.483 30.069 29.700 -0.189 0.000 0.865 206 E HN 0.187 nan 8.360 nan 0.000 0.486 207 V N 0.419 120.159 119.914 -0.290 0.000 2.436 207 V HA -0.019 4.101 4.120 -0.000 0.000 0.240 207 V C 1.790 178.000 176.094 0.193 0.000 1.040 207 V CA 1.037 63.217 62.300 -0.199 0.000 1.052 207 V CB -0.287 31.194 31.823 -0.571 0.000 0.707 207 V HN 0.061 nan 8.190 nan 0.000 0.469 208 F N 0.260 120.200 119.950 -0.016 0.000 2.656 208 F HA 0.317 4.844 4.527 -0.000 0.000 0.291 208 F C 1.672 177.438 175.800 -0.056 0.000 1.122 208 F CA -0.080 57.937 58.000 0.028 0.000 1.427 208 F CB -0.885 38.164 39.000 0.081 0.000 1.125 208 F HN 0.158 nan 8.300 nan 0.000 0.583 209 S N 0.321 116.067 115.700 0.077 0.000 3.581 209 S HA 0.030 4.500 4.470 -0.000 0.000 0.354 209 S C 0.123 174.382 174.600 -0.569 0.000 1.059 209 S CA 0.507 58.638 58.200 -0.116 0.000 1.060 209 S CB -1.698 61.498 63.200 -0.005 0.000 0.908 209 S HN 0.672 nan 8.310 nan 0.000 0.475 210 A N -0.545 122.101 122.820 -0.290 0.000 2.599 210 A HA 0.679 4.999 4.320 -0.000 0.000 0.294 210 A C -0.300 177.290 177.584 0.009 0.000 1.055 210 A CA -0.487 51.389 52.037 -0.267 0.000 0.683 210 A CB 0.320 19.223 19.000 -0.163 0.000 1.278 210 A HN 0.313 nan 8.150 nan 0.000 0.412 211 Y N 1.311 121.502 120.300 -0.182 0.000 2.365 211 Y HA 0.203 4.753 4.550 -0.000 0.000 0.293 211 Y C 1.530 177.227 175.900 -0.338 0.000 1.119 211 Y CA 1.014 59.010 58.100 -0.173 0.000 1.203 211 Y CB -0.021 38.364 38.460 -0.124 0.000 1.026 211 Y HN 0.648 nan 8.280 nan 0.000 0.549 212 S N 0.393 115.707 115.700 -0.643 0.000 2.562 212 S HA 0.464 4.934 4.470 -0.000 0.000 0.281 212 S C 0.241 174.524 174.600 -0.529 0.000 1.333 212 S CA 0.229 57.806 58.200 -1.037 0.000 1.052 212 S CB 0.380 62.698 63.200 -1.470 0.000 0.884 212 S HN 0.408 nan 8.310 nan 0.000 0.506 213 A N 4.937 127.414 122.820 -0.572 0.000 3.045 213 A HA 0.536 4.856 4.320 -0.000 0.000 0.244 213 A C -1.125 175.872 177.584 -0.979 0.000 0.917 213 A CA -0.372 51.327 52.037 -0.564 0.000 1.075 213 A CB 0.035 19.134 19.000 0.166 0.000 1.202 213 A HN 0.558 nan 8.150 nan 0.000 0.486 214 L N 0.430 120.942 121.223 -1.186 0.000 2.365 214 L HA 0.694 5.034 4.340 -0.000 0.000 0.273 214 L C -1.178 175.189 176.870 -0.839 0.000 1.000 214 L CA -0.536 53.856 54.840 -0.746 0.000 0.819 214 L CB 1.322 43.163 42.059 -0.364 0.000 1.284 214 L HN 0.443 nan 8.230 nan 0.000 0.418 215 W N 3.214 124.565 121.300 0.086 0.000 2.631 215 W HA 0.218 4.878 4.660 -0.000 0.000 0.321 215 W C -1.011 175.720 176.519 0.352 0.000 1.004 215 W CA -1.103 56.399 57.345 0.262 0.000 1.291 215 W CB 1.135 30.782 29.460 0.312 0.000 1.300 215 W HN 0.495 nan 8.180 nan 0.000 0.422 216 W N 1.668 123.181 121.300 0.356 0.000 2.170 216 W HA 0.221 4.881 4.660 -0.000 0.000 0.336 216 W C 1.194 177.599 176.519 -0.191 0.000 1.283 216 W CA 0.519 57.956 57.345 0.154 0.000 1.224 216 W CB 0.597 30.112 29.460 0.091 0.000 1.132 216 W HN 0.054 nan 8.180 nan 0.000 0.571 217 S N 2.824 118.380 115.700 -0.240 0.000 2.569 217 S HA -0.043 4.427 4.470 -0.000 0.000 0.274 217 S C -1.308 173.077 174.600 -0.359 0.000 1.353 217 S CA -0.618 57.015 58.200 -0.945 0.000 1.023 217 S CB 0.553 63.496 63.200 -0.429 0.000 0.876 217 S HN 0.280 nan 8.310 nan 0.000 0.540 218 P HA -0.044 nan 4.420 nan 0.000 0.218 218 P C 1.125 178.385 177.300 -0.067 0.000 1.149 218 P CA 0.681 63.734 63.100 -0.078 0.000 0.817 218 P CB 0.115 31.813 31.700 -0.003 0.000 0.785 219 N N -0.862 117.786 118.700 -0.087 0.000 2.120 219 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 219 N C 1.577 177.028 175.510 -0.098 0.000 1.024 219 N CA 2.042 55.047 53.050 -0.075 0.000 0.852 219 N CB -0.617 37.821 38.487 -0.081 0.000 1.003 219 N HN 0.186 nan 8.380 nan 0.000 0.424 220 G N -1.642 107.111 108.800 -0.078 0.000 2.176 220 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 220 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 220 G C 1.073 176.015 174.900 0.069 0.000 0.986 220 G CA 0.863 45.919 45.100 -0.073 0.000 0.643 220 G HN 0.368 nan 8.290 nan 0.000 0.522 221 T N 0.238 114.762 114.554 -0.049 0.000 2.698 221 T HA 0.260 4.610 4.350 -0.000 0.000 0.260 221 T C 0.803 175.395 174.700 -0.180 0.000 1.044 221 T CA 1.167 63.137 62.100 -0.216 0.000 1.149 221 T CB -0.098 68.469 68.868 -0.502 0.000 0.864 221 T HN 0.237 nan 8.240 nan 0.000 0.419 222 F N 0.673 120.661 119.950 0.063 0.000 2.399 222 F HA 0.529 5.056 4.527 -0.000 0.000 0.334 222 F C 0.034 175.901 175.800 0.111 0.000 1.097 222 F CA -1.190 56.874 58.000 0.107 0.000 1.076 222 F CB 0.877 39.989 39.000 0.187 0.000 1.162 222 F HN -0.040 nan 8.300 nan 0.000 0.495 223 L N 3.311 124.672 121.223 0.230 0.000 2.318 223 L HA 0.684 5.024 4.340 -0.000 0.000 0.277 223 L C -0.654 176.292 176.870 0.126 0.000 1.008 223 L CA -0.470 54.309 54.840 -0.101 0.000 0.846 223 L CB 0.714 42.479 42.059 -0.489 0.000 1.220 223 L HN 0.791 nan 8.230 nan 0.000 0.423 224 A N 4.883 127.852 122.820 0.248 0.000 2.295 224 A HA 0.759 5.079 4.320 -0.000 0.000 0.318 224 A C -1.330 176.358 177.584 0.174 0.000 1.134 224 A CA -0.302 51.788 52.037 0.089 0.000 0.827 224 A CB 1.027 20.090 19.000 0.104 0.000 1.136 224 A HN 0.729 nan 8.150 nan 0.000 0.493 225 Y N -2.124 118.043 120.300 -0.221 0.000 2.624 225 Y HA 0.731 5.281 4.550 -0.000 0.000 0.334 225 Y C -0.431 175.401 175.900 -0.113 0.000 1.155 225 Y CA -0.870 57.183 58.100 -0.079 0.000 1.046 225 Y CB 0.762 39.125 38.460 -0.162 0.000 1.316 225 Y HN 0.967 nan 8.280 nan 0.000 0.457 226 A N 2.209 125.166 122.820 0.228 0.000 2.320 226 A HA 0.725 5.044 4.320 -0.000 0.000 0.334 226 A C -1.203 176.298 177.584 -0.137 0.000 1.147 226 A CA -0.846 51.184 52.037 -0.012 0.000 0.820 226 A CB 1.818 20.830 19.000 0.020 0.000 1.218 226 A HN 0.822 nan 8.150 nan 0.000 0.482 227 Q N 0.789 120.392 119.800 -0.328 0.000 2.337 227 Q HA 0.626 4.966 4.340 -0.000 0.000 0.270 227 Q C -2.094 173.648 176.000 -0.430 0.000 1.043 227 Q CA -0.377 55.324 55.803 -0.170 0.000 0.794 227 Q CB 1.227 30.080 28.738 0.192 0.000 1.281 227 Q HN 0.608 nan 8.270 nan 0.000 0.446 228 F N 2.155 122.190 119.950 0.142 0.000 2.508 228 F HA 0.456 4.983 4.527 -0.000 0.000 0.325 228 F C 0.292 176.223 175.800 0.217 0.000 1.090 228 F CA -0.948 57.104 58.000 0.086 0.000 0.945 228 F CB 1.548 40.488 39.000 -0.100 0.000 1.156 228 F HN 0.420 nan 8.300 nan 0.000 0.463 229 N N 1.596 120.504 118.700 0.347 0.000 2.442 229 N HA 0.245 4.985 4.740 -0.000 0.000 0.274 229 N C -0.960 174.707 175.510 0.261 0.000 1.002 229 N CA -0.354 52.862 53.050 0.276 0.000 0.910 229 N CB 1.323 39.920 38.487 0.185 0.000 1.244 229 N HN 0.595 nan 8.380 nan 0.000 0.492 230 D N 1.216 121.788 120.400 0.286 0.000 2.431 230 D HA 0.139 4.779 4.640 -0.000 0.000 0.213 230 D C 1.184 177.587 176.300 0.171 0.000 1.130 230 D CA 0.166 54.316 54.000 0.250 0.000 0.834 230 D CB 0.626 41.646 40.800 0.366 0.000 0.985 230 D HN 0.498 nan 8.370 nan 0.000 0.504 231 T N 0.664 115.301 114.554 0.138 0.000 2.624 231 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 231 T C 1.170 175.918 174.700 0.079 0.000 1.050 231 T CA 1.421 63.578 62.100 0.094 0.000 1.163 231 T CB -0.108 68.807 68.868 0.077 0.000 0.861 231 T HN 0.345 nan 8.240 nan 0.000 0.443 232 E N 0.486 120.732 120.200 0.078 0.000 2.499 232 E HA 0.212 4.562 4.350 -0.000 0.000 0.199 232 E C -0.528 176.112 176.600 0.067 0.000 1.016 232 E CA -0.234 56.203 56.400 0.061 0.000 0.933 232 E CB 0.543 30.273 29.700 0.048 0.000 1.050 232 E HN 0.230 nan 8.360 nan 0.000 0.462 233 V N 3.533 123.500 119.914 0.088 0.000 2.555 233 V HA 0.119 4.239 4.120 -0.000 0.000 0.286 233 V C -1.978 174.164 176.094 0.079 0.000 1.044 233 V CA -1.561 60.794 62.300 0.091 0.000 1.026 233 V CB 0.426 32.320 31.823 0.119 0.000 0.981 233 V HN 0.069 nan 8.190 nan 0.000 0.480 234 P HA 0.310 nan 4.420 nan 0.000 0.272 234 P C -0.801 176.529 177.300 0.050 0.000 1.223 234 P CA -0.335 62.796 63.100 0.051 0.000 0.784 234 P CB 0.538 32.266 31.700 0.047 0.000 0.923 235 L N 2.264 123.495 121.223 0.014 0.000 2.309 235 L HA 0.452 4.791 4.340 -0.000 0.000 0.282 235 L C 0.628 177.449 176.870 -0.082 0.000 1.036 235 L CA -0.752 54.078 54.840 -0.017 0.000 0.806 235 L CB 0.968 43.012 42.059 -0.024 0.000 1.220 235 L HN 0.330 nan 8.230 nan 0.000 0.429 236 I N 2.836 123.308 120.570 -0.163 0.000 2.472 236 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 236 I C -0.427 175.549 176.117 -0.236 0.000 1.016 236 I CA -0.054 61.060 61.300 -0.310 0.000 1.348 236 I CB 1.023 38.576 38.000 -0.745 0.000 1.417 236 I HN 0.748 nan 8.210 nan 0.000 0.521 237 E N 7.616 127.694 120.200 -0.203 0.000 2.246 237 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 237 E C -1.885 174.647 176.600 -0.114 0.000 0.880 237 E CA -0.535 55.745 56.400 -0.199 0.000 0.762 237 E CB 2.326 31.939 29.700 -0.146 0.000 1.180 237 E HN 0.531 nan 8.360 nan 0.000 0.416 238 Y N -1.648 118.557 120.300 -0.159 0.000 2.609 238 Y HA 0.525 5.075 4.550 -0.000 0.000 0.336 238 Y C -0.581 175.236 175.900 -0.139 0.000 1.129 238 Y CA -1.249 56.760 58.100 -0.151 0.000 1.040 238 Y CB 0.819 39.193 38.460 -0.142 0.000 1.310 238 Y HN 0.169 nan 8.280 nan 0.000 0.460 239 S N 2.017 117.680 115.700 -0.060 0.000 2.565 239 S HA 0.434 4.904 4.470 -0.000 0.000 0.276 239 S C -1.329 173.090 174.600 -0.303 0.000 1.326 239 S CA -0.298 57.718 58.200 -0.306 0.000 1.045 239 S CB 0.275 63.147 63.200 -0.547 0.000 0.918 239 S HN 0.536 nan 8.310 nan 0.000 0.505 240 F N 2.404 122.063 119.950 -0.486 0.000 2.507 240 F HA 0.442 4.969 4.527 -0.000 0.000 0.328 240 F C -0.364 175.204 175.800 -0.386 0.000 1.136 240 F CA -0.856 56.966 58.000 -0.296 0.000 0.930 240 F CB 0.823 39.773 39.000 -0.084 0.000 1.166 240 F HN 0.633 nan 8.300 nan 0.000 0.436 241 Y N 2.415 122.480 120.300 -0.391 0.000 2.397 241 Y HA 0.070 4.620 4.550 -0.000 0.000 0.292 241 Y C 1.596 177.423 175.900 -0.121 0.000 1.115 241 Y CA 0.631 58.612 58.100 -0.198 0.000 1.208 241 Y CB -0.655 37.684 38.460 -0.202 0.000 1.046 241 Y HN 0.688 nan 8.280 nan 0.000 0.552 242 S N -0.666 114.954 115.700 -0.135 0.000 3.109 242 S HA -0.256 4.214 4.470 -0.000 0.000 0.632 242 S C -0.519 174.125 174.600 0.074 0.000 2.927 242 S CA 0.028 58.287 58.200 0.098 0.000 3.233 242 S CB -1.256 62.121 63.200 0.296 0.000 0.325 242 S HN 0.384 nan 8.310 nan 0.000 1.720 243 D N 2.168 122.630 120.400 0.102 0.000 2.419 243 D HA 0.168 4.808 4.640 -0.000 0.000 0.236 243 D C 1.598 177.931 176.300 0.055 0.000 1.165 243 D CA 0.211 54.254 54.000 0.071 0.000 0.882 243 D CB 0.149 40.992 40.800 0.072 0.000 1.201 243 D HN 0.645 nan 8.370 nan 0.000 0.443 244 E N 0.203 120.424 120.200 0.036 0.000 2.219 244 E HA -0.194 4.156 4.350 -0.000 0.000 0.198 244 E C 1.814 178.429 176.600 0.025 0.000 0.998 244 E CA 1.258 57.671 56.400 0.022 0.000 0.818 244 E CB -0.020 29.687 29.700 0.012 0.000 0.741 244 E HN 0.432 nan 8.360 nan 0.000 0.477 245 S N 0.543 116.264 115.700 0.035 0.000 2.447 245 S HA -0.062 4.408 4.470 -0.000 0.000 0.233 245 S C 1.070 175.697 174.600 0.045 0.000 1.006 245 S CA 0.135 58.356 58.200 0.035 0.000 0.957 245 S CB -0.081 63.142 63.200 0.037 0.000 0.773 245 S HN 0.151 nan 8.310 nan 0.000 0.507 246 L N 2.297 123.555 121.223 0.059 0.000 2.418 246 L HA 0.165 4.505 4.340 -0.000 0.000 0.274 246 L C 1.520 178.426 176.870 0.060 0.000 1.135 246 L CA 0.051 54.937 54.840 0.076 0.000 0.870 246 L CB 1.173 43.291 42.059 0.099 0.000 1.154 246 L HN 0.416 nan 8.230 nan 0.000 0.462 247 Q N 4.025 123.868 119.800 0.073 0.000 2.096 247 Q HA -0.057 4.283 4.340 -0.000 0.000 0.197 247 Q C -0.617 175.314 176.000 -0.116 0.000 0.964 247 Q CA 1.109 56.908 55.803 -0.007 0.000 0.838 247 Q CB 0.249 29.019 28.738 0.053 0.000 0.906 247 Q HN 0.587 nan 8.270 nan 0.000 0.444 248 Y N 0.916 121.229 120.300 0.020 0.000 2.352 248 Y HA 0.382 4.932 4.550 -0.000 0.000 0.339 248 Y C -2.040 173.868 175.900 0.015 0.000 0.992 248 Y CA -3.002 55.107 58.100 0.014 0.000 1.100 248 Y CB 1.152 39.612 38.460 -0.000 0.000 1.192 248 Y HN 0.162 nan 8.280 nan 0.000 0.458 249 P HA 0.028 nan 4.420 nan 0.000 0.267 249 P C -0.515 176.792 177.300 0.012 0.000 1.200 249 P CA -0.399 62.720 63.100 0.032 0.000 0.772 249 P CB 0.748 32.414 31.700 -0.056 0.000 0.855 250 K N 1.168 121.563 120.400 -0.008 0.000 2.118 250 K HA 0.319 4.639 4.320 -0.000 0.000 0.264 250 K C -0.568 175.979 176.600 -0.089 0.000 1.000 250 K CA -0.258 56.019 56.287 -0.016 0.000 0.929 250 K CB 0.519 33.034 32.500 0.025 0.000 1.021 250 K HN 0.341 nan 8.250 nan 0.000 0.463 251 T N 2.761 117.250 114.554 -0.109 0.000 2.756 251 T HA 0.225 4.575 4.350 -0.000 0.000 0.290 251 T C -0.606 173.961 174.700 -0.222 0.000 0.985 251 T CA -0.612 61.387 62.100 -0.168 0.000 0.955 251 T CB 0.989 69.776 68.868 -0.134 0.000 0.930 251 T HN 0.257 nan 8.240 nan 0.000 0.451 252 V N 5.491 125.176 119.914 -0.382 0.000 2.530 252 V HA 0.410 4.530 4.120 -0.000 0.000 0.282 252 V C 0.474 176.305 176.094 -0.437 0.000 1.048 252 V CA -0.444 61.582 62.300 -0.456 0.000 0.997 252 V CB 0.702 32.068 31.823 -0.761 0.000 0.987 252 V HN 0.705 nan 8.190 nan 0.000 0.477 253 R N 3.437 123.806 120.500 -0.219 0.000 2.451 253 R HA 0.703 5.043 4.340 -0.000 0.000 0.307 253 R C -1.583 174.699 176.300 -0.030 0.000 0.965 253 R CA -0.506 55.509 56.100 -0.142 0.000 0.865 253 R CB 2.156 32.401 30.300 -0.092 0.000 1.174 253 R HN 0.541 nan 8.270 nan 0.000 0.455 254 V N 4.283 124.179 119.914 -0.030 0.000 2.531 254 V HA 0.362 4.482 4.120 -0.000 0.000 0.301 254 V C -2.345 173.781 176.094 0.053 0.000 1.034 254 V CA -2.505 59.835 62.300 0.066 0.000 0.865 254 V CB 2.115 33.930 31.823 -0.013 0.000 0.995 254 V HN 0.613 nan 8.190 nan 0.000 0.424 255 P HA 0.188 nan 4.420 nan 0.000 0.269 255 P C -1.350 176.036 177.300 0.144 0.000 1.252 255 P CA 0.267 63.456 63.100 0.149 0.000 0.780 255 P CB -0.187 31.646 31.700 0.223 0.000 0.829 256 Y N 6.410 126.665 120.300 -0.074 0.000 2.315 256 Y HA 0.393 4.943 4.550 -0.000 0.000 0.324 256 Y C -2.749 173.106 175.900 -0.076 0.000 1.062 256 Y CA -2.994 55.008 58.100 -0.163 0.000 1.159 256 Y CB 1.758 39.998 38.460 -0.366 0.000 1.145 256 Y HN 0.275 nan 8.280 nan 0.000 0.442 257 P HA 0.230 nan 4.420 nan 0.000 0.280 257 P C -0.825 176.499 177.300 0.040 0.000 1.300 257 P CA -0.082 63.038 63.100 0.033 0.000 0.785 257 P CB 0.980 32.679 31.700 -0.001 0.000 0.874 258 K N 1.990 122.506 120.400 0.192 0.000 2.120 258 K HA 0.479 4.799 4.320 -0.000 0.000 0.245 258 K C 0.573 177.256 176.600 0.138 0.000 1.024 258 K CA -0.667 55.751 56.287 0.218 0.000 0.906 258 K CB 0.521 33.169 32.500 0.247 0.000 1.051 258 K HN 0.430 nan 8.250 nan 0.000 0.491 259 A N 0.844 123.770 122.820 0.177 0.000 2.545 259 A HA 0.322 4.641 4.320 -0.000 0.000 0.253 259 A C 1.140 178.766 177.584 0.070 0.000 1.074 259 A CA 0.903 53.041 52.037 0.167 0.000 0.760 259 A CB -1.076 18.115 19.000 0.319 0.000 1.005 259 A HN 0.895 nan 8.150 nan 0.000 0.506 260 G N 0.888 109.719 108.800 0.051 0.000 2.176 260 G HA2 0.133 4.093 3.960 -0.000 0.000 0.253 260 G HA3 0.133 4.093 3.960 -0.000 0.000 0.253 260 G C 0.598 175.509 174.900 0.018 0.000 0.979 260 G CA 0.560 45.663 45.100 0.006 0.000 0.641 260 G HN 2.125 nan 8.290 nan 0.000 0.530 261 A N -0.261 122.584 122.820 0.042 0.000 2.257 261 A HA 0.774 5.094 4.320 -0.000 0.000 0.289 261 A C 0.844 178.452 177.584 0.040 0.000 1.095 261 A CA 0.208 52.271 52.037 0.044 0.000 0.836 261 A CB 0.878 19.918 19.000 0.066 0.000 1.111 261 A HN 1.177 nan 8.150 nan 0.000 0.497 262 V N 2.140 122.076 119.914 0.038 0.000 2.557 262 V HA -0.048 4.072 4.120 -0.000 0.000 0.301 262 V C 0.713 176.839 176.094 0.053 0.000 1.026 262 V CA 0.555 62.876 62.300 0.036 0.000 1.137 262 V CB -0.603 31.242 31.823 0.037 0.000 0.917 262 V HN 0.889 nan 8.190 nan 0.000 0.484 263 N N 6.065 124.795 118.700 0.050 0.000 2.476 263 N HA 0.432 5.172 4.740 -0.000 0.000 0.275 263 N C -2.423 173.153 175.510 0.110 0.000 1.190 263 N CA -1.324 51.778 53.050 0.086 0.000 0.977 263 N CB 1.207 39.748 38.487 0.089 0.000 1.200 263 N HN 0.472 nan 8.380 nan 0.000 0.515 264 P HA 0.039 nan 4.420 nan 0.000 0.272 264 P C -0.717 176.714 177.300 0.219 0.000 1.223 264 P CA -0.111 63.117 63.100 0.213 0.000 0.784 264 P CB 0.675 32.538 31.700 0.273 0.000 0.923 265 T N -1.380 113.286 114.554 0.188 0.000 2.936 265 T HA 0.593 4.943 4.350 -0.000 0.000 0.282 265 T C -0.146 174.687 174.700 0.222 0.000 1.003 265 T CA -0.824 61.364 62.100 0.146 0.000 1.005 265 T CB 1.467 70.384 68.868 0.082 0.000 1.097 265 T HN 0.381 nan 8.240 nan 0.000 0.532 266 V N 0.098 120.134 119.914 0.204 0.000 2.971 266 V HA 0.767 4.887 4.120 -0.000 0.000 0.309 266 V C -1.824 174.344 176.094 0.124 0.000 1.130 266 V CA -0.862 61.508 62.300 0.117 0.000 0.964 266 V CB 2.116 34.039 31.823 0.167 0.000 1.029 266 V HN 0.961 nan 8.190 nan 0.000 0.427 267 K N 3.890 124.286 120.400 -0.007 0.000 2.443 267 K HA 0.589 4.908 4.320 -0.000 0.000 0.251 267 K C -1.730 174.790 176.600 -0.133 0.000 0.972 267 K CA -0.311 55.939 56.287 -0.062 0.000 0.833 267 K CB 2.466 34.918 32.500 -0.081 0.000 1.317 267 K HN 0.666 nan 8.250 nan 0.000 0.441 268 F N 1.518 121.173 119.950 -0.493 0.000 2.556 268 F HA 0.612 5.139 4.527 -0.000 0.000 0.314 268 F C -1.446 173.868 175.800 -0.810 0.000 1.106 268 F CA -0.680 57.033 58.000 -0.478 0.000 0.911 268 F CB 1.017 39.852 39.000 -0.275 0.000 1.190 268 F HN 0.416 nan 8.300 nan 0.000 0.448 269 F N 3.584 122.854 119.950 -1.132 0.000 2.643 269 F HA 0.783 5.310 4.527 -0.000 0.000 0.314 269 F C -1.095 174.138 175.800 -0.945 0.000 1.096 269 F CA -1.109 56.347 58.000 -0.907 0.000 0.953 269 F CB 2.232 40.592 39.000 -1.066 0.000 1.345 269 F HN 0.191 nan 8.300 nan 0.000 0.468 270 V N 2.058 121.838 119.914 -0.223 0.000 2.733 270 V HA 0.681 4.801 4.120 -0.000 0.000 0.306 270 V C -1.181 175.027 176.094 0.190 0.000 1.084 270 V CA -0.822 61.425 62.300 -0.089 0.000 0.905 270 V CB 1.947 33.622 31.823 -0.246 0.000 1.010 270 V HN 0.541 nan 8.190 nan 0.000 0.424 271 V N 2.697 122.771 119.914 0.267 0.000 2.680 271 V HA 0.496 4.616 4.120 -0.000 0.000 0.309 271 V C -0.119 176.184 176.094 0.347 0.000 1.052 271 V CA -0.831 61.636 62.300 0.278 0.000 0.908 271 V CB 2.199 34.125 31.823 0.172 0.000 1.001 271 V HN 0.878 nan 8.190 nan 0.000 0.431 272 N N 2.017 120.889 118.700 0.287 0.000 2.411 272 N HA 0.116 4.856 4.740 -0.000 0.000 0.259 272 N C 0.784 176.293 175.510 -0.001 0.000 1.103 272 N CA 0.279 53.380 53.050 0.085 0.000 0.954 272 N CB 1.708 40.209 38.487 0.023 0.000 1.085 272 N HN 0.735 nan 8.380 nan 0.000 0.485 273 T N 1.806 116.344 114.554 -0.027 0.000 3.088 273 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 273 T C 0.502 175.169 174.700 -0.054 0.000 1.122 273 T CA 0.539 62.643 62.100 0.007 0.000 1.095 273 T CB 0.171 69.149 68.868 0.183 0.000 0.930 273 T HN 0.458 nan 8.240 nan 0.000 0.508 274 D N 1.151 121.490 120.400 -0.101 0.000 2.354 274 D HA 0.062 4.702 4.640 -0.000 0.000 0.209 274 D C 0.864 177.106 176.300 -0.096 0.000 1.015 274 D CA 0.337 54.277 54.000 -0.100 0.000 0.867 274 D CB 0.253 40.978 40.800 -0.125 0.000 0.933 274 D HN 0.408 nan 8.370 nan 0.000 0.520 275 S N 0.651 116.293 115.700 -0.096 0.000 2.328 275 S HA 0.533 5.003 4.470 -0.000 0.000 0.204 275 S C -0.295 174.237 174.600 -0.113 0.000 1.475 275 S CA -0.745 57.409 58.200 -0.077 0.000 1.148 275 S CB -0.007 63.175 63.200 -0.030 0.000 1.077 275 S HN -0.026 nan 8.310 nan 0.000 0.479 276 L N 1.646 122.738 121.223 -0.219 0.000 2.354 276 L HA 0.742 5.082 4.340 -0.000 0.000 0.264 276 L C -0.105 176.604 176.870 -0.268 0.000 1.008 276 L CA -0.700 53.932 54.840 -0.347 0.000 0.819 276 L CB 2.353 43.942 42.059 -0.784 0.000 1.339 276 L HN 0.570 nan 8.230 nan 0.000 0.420 277 S N -0.204 115.467 115.700 -0.049 0.000 2.500 277 S HA 0.287 4.757 4.470 -0.000 0.000 0.301 277 S C 0.794 175.633 174.600 0.397 0.000 1.092 277 S CA -0.489 57.804 58.200 0.154 0.000 1.030 277 S CB 1.891 65.154 63.200 0.104 0.000 1.031 277 S HN 0.617 nan 8.310 nan 0.000 0.483 278 S N 2.602 118.538 115.700 0.393 0.000 2.380 278 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 278 S C 1.472 176.171 174.600 0.164 0.000 1.043 278 S CA 2.110 60.464 58.200 0.255 0.000 1.038 278 S CB -0.208 63.070 63.200 0.130 0.000 0.872 278 S HN 0.695 nan 8.310 nan 0.000 0.456 279 V N -1.242 118.763 119.914 0.152 0.000 3.307 279 V HA 0.154 4.274 4.120 -0.000 0.000 0.244 279 V C 0.795 176.966 176.094 0.128 0.000 1.196 279 V CA 0.285 62.658 62.300 0.122 0.000 1.132 279 V CB -0.364 31.508 31.823 0.080 0.000 0.875 279 V HN 0.204 nan 8.190 nan 0.000 0.468 280 T N 2.614 117.239 114.554 0.119 0.000 2.901 280 T HA 0.202 4.552 4.350 -0.000 0.000 0.301 280 T C 0.172 174.944 174.700 0.120 0.000 1.012 280 T CA -0.038 62.116 62.100 0.091 0.000 1.135 280 T CB 0.181 69.089 68.868 0.067 0.000 0.936 280 T HN 0.237 nan 8.240 nan 0.000 0.539 281 N N 2.358 121.113 118.700 0.092 0.000 2.447 281 N HA 0.283 5.023 4.740 -0.000 0.000 0.263 281 N C 0.126 175.704 175.510 0.113 0.000 1.226 281 N CA -0.124 53.005 53.050 0.132 0.000 0.906 281 N CB 0.459 38.968 38.487 0.036 0.000 1.060 281 N HN 0.784 nan 8.380 nan 0.000 0.468 282 A N 2.285 125.186 122.820 0.135 0.000 2.445 282 A HA 0.262 4.582 4.320 -0.000 0.000 0.242 282 A C 0.363 177.994 177.584 0.079 0.000 1.075 282 A CA 0.043 52.129 52.037 0.083 0.000 0.777 282 A CB 0.106 19.139 19.000 0.055 0.000 1.013 282 A HN 0.547 nan 8.150 nan 0.000 0.493 283 T N 2.324 116.925 114.554 0.079 0.000 2.767 283 T HA 0.427 4.777 4.350 -0.000 0.000 0.288 283 T C 0.138 174.909 174.700 0.118 0.000 0.963 283 T CA 0.043 62.198 62.100 0.092 0.000 1.019 283 T CB 0.810 69.740 68.868 0.103 0.000 0.923 283 T HN 0.535 nan 8.240 nan 0.000 0.468 284 S N 2.909 118.670 115.700 0.101 0.000 2.442 284 S HA 0.488 4.958 4.470 -0.000 0.000 0.297 284 S C -0.005 174.740 174.600 0.242 0.000 1.131 284 S CA -0.640 57.639 58.200 0.130 0.000 1.092 284 S CB 0.239 63.398 63.200 -0.070 0.000 0.998 284 S HN 0.472 nan 8.310 nan 0.000 0.478 285 I N 3.102 123.847 120.570 0.291 0.000 2.365 285 I HA 0.269 4.438 4.170 -0.000 0.000 0.291 285 I C 0.489 176.779 176.117 0.288 0.000 1.004 285 I CA -0.115 61.373 61.300 0.314 0.000 1.311 285 I CB 1.045 39.274 38.000 0.382 0.000 1.401 285 I HN 0.538 nan 8.210 nan 0.000 0.491 286 Q N 6.267 126.195 119.800 0.213 0.000 2.256 286 Q HA 0.540 4.880 4.340 -0.000 0.000 0.254 286 Q C -1.147 174.798 176.000 -0.093 0.000 0.916 286 Q CA -0.435 55.294 55.803 -0.122 0.000 0.932 286 Q CB 0.989 29.613 28.738 -0.190 0.000 1.207 286 Q HN 0.575 nan 8.270 nan 0.000 0.426 287 I N 3.565 124.053 120.570 -0.137 0.000 2.339 287 I HA 0.232 4.402 4.170 -0.000 0.000 0.290 287 I C -0.170 175.910 176.117 -0.062 0.000 0.994 287 I CA -0.632 60.651 61.300 -0.030 0.000 1.191 287 I CB 1.853 39.863 38.000 0.016 0.000 1.343 287 I HN 0.574 nan 8.210 nan 0.000 0.458 288 T N 5.498 119.989 114.554 -0.104 0.000 2.869 288 T HA 0.398 4.748 4.350 -0.000 0.000 0.295 288 T C 0.528 175.024 174.700 -0.340 0.000 0.987 288 T CA -0.408 61.577 62.100 -0.191 0.000 1.109 288 T CB 1.193 69.963 68.868 -0.163 0.000 0.932 288 T HN 0.698 nan 8.240 nan 0.000 0.518 289 A N 5.272 127.682 122.820 -0.683 0.000 2.507 289 A HA 0.394 4.714 4.320 -0.000 0.000 0.235 289 A C -2.151 174.948 177.584 -0.809 0.000 1.070 289 A CA -1.002 50.203 52.037 -1.386 0.000 0.768 289 A CB -0.533 17.252 19.000 -2.026 0.000 1.011 289 A HN 0.510 nan 8.150 nan 0.000 0.502 290 P HA 0.210 nan 4.420 nan 0.000 0.269 290 P C 0.776 177.863 177.300 -0.356 0.000 1.209 290 P CA 0.595 63.451 63.100 -0.406 0.000 0.776 290 P CB 0.700 32.218 31.700 -0.303 0.000 0.876 291 A N 2.573 125.256 122.820 -0.227 0.000 1.986 291 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 291 A C 2.062 179.553 177.584 -0.155 0.000 1.171 291 A CA 2.384 54.317 52.037 -0.175 0.000 0.640 291 A CB -1.750 17.178 19.000 -0.120 0.000 0.811 291 A HN 0.625 nan 8.150 nan 0.000 0.451 292 S N -1.559 114.063 115.700 -0.129 0.000 2.507 292 S HA -0.035 4.435 4.470 -0.000 0.000 0.235 292 S C 1.647 176.188 174.600 -0.099 0.000 0.988 292 S CA 1.353 59.500 58.200 -0.087 0.000 0.944 292 S CB -0.264 62.945 63.200 0.015 0.000 0.762 292 S HN 0.419 nan 8.310 nan 0.000 0.526 293 M N 0.604 120.085 119.600 -0.198 0.000 2.552 293 M HA 0.363 4.843 4.480 -0.000 0.000 0.264 293 M C 1.880 178.077 176.300 -0.171 0.000 1.159 293 M CA 0.627 55.781 55.300 -0.244 0.000 1.176 293 M CB -1.060 31.176 32.600 -0.608 0.000 1.327 293 M HN 0.323 nan 8.290 nan 0.000 0.481 294 L N 0.485 121.562 121.223 -0.244 0.000 2.456 294 L HA -0.123 4.217 4.340 -0.000 0.000 0.224 294 L C 2.375 179.230 176.870 -0.026 0.000 1.148 294 L CA 0.423 55.205 54.840 -0.097 0.000 0.825 294 L CB -0.723 41.246 42.059 -0.149 0.000 0.937 294 L HN 0.272 nan 8.230 nan 0.000 0.450 295 I N -0.488 120.051 120.570 -0.051 0.000 2.248 295 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 295 I C 1.149 177.253 176.117 -0.022 0.000 1.107 295 I CA 1.583 62.855 61.300 -0.046 0.000 1.373 295 I CB 0.039 37.995 38.000 -0.072 0.000 1.055 295 I HN 0.248 nan 8.210 nan 0.000 0.418 296 G N -0.620 108.188 108.800 0.014 0.000 2.772 296 G HA2 0.196 4.156 3.960 -0.000 0.000 0.284 296 G HA3 0.196 4.156 3.960 -0.000 0.000 0.284 296 G C -1.721 173.167 174.900 -0.021 0.000 1.217 296 G CA -0.451 44.645 45.100 -0.007 0.000 0.831 296 G HN 0.078 nan 8.290 nan 0.000 0.523 297 D N 1.058 121.395 120.400 -0.105 0.000 2.389 297 D HA 0.523 5.163 4.640 -0.000 0.000 0.247 297 D C 0.124 176.263 176.300 -0.268 0.000 1.128 297 D CA 0.666 54.513 54.000 -0.255 0.000 0.884 297 D CB 0.906 41.577 40.800 -0.216 0.000 1.194 297 D HN 0.569 nan 8.370 nan 0.000 0.441 298 H N -1.004 117.926 119.070 -0.234 0.000 2.966 298 H HA 0.618 5.174 4.556 -0.000 0.000 0.330 298 H C -1.540 173.625 175.328 -0.272 0.000 1.292 298 H CA -0.954 54.963 56.048 -0.218 0.000 1.127 298 H CB 0.414 30.171 29.762 -0.009 0.000 1.863 298 H HN 0.227 nan 8.280 nan 0.000 0.543 299 Y N -0.346 120.244 120.300 0.483 0.000 2.545 299 Y HA 0.370 4.919 4.550 -0.000 0.000 0.348 299 Y C -0.532 175.693 175.900 0.541 0.000 1.002 299 Y CA -1.251 57.135 58.100 0.477 0.000 1.039 299 Y CB 2.110 40.690 38.460 0.201 0.000 1.271 299 Y HN 0.593 nan 8.280 nan 0.000 0.467 300 L N 2.214 123.836 121.223 0.666 0.000 2.265 300 L HA 0.251 4.591 4.340 -0.000 0.000 0.288 300 L C -0.233 176.847 176.870 0.350 0.000 1.058 300 L CA -0.006 54.898 54.840 0.107 0.000 0.809 300 L CB 0.764 42.809 42.059 -0.024 0.000 1.179 300 L HN 0.978 nan 8.230 nan 0.000 0.429 301 C N 3.055 122.411 119.300 0.094 0.000 3.097 301 C HA 0.331 4.791 4.460 -0.000 0.000 0.335 301 C C 0.338 175.351 174.990 0.038 0.000 1.283 301 C CA -0.173 58.952 59.018 0.178 0.000 1.778 301 C CB -0.025 27.782 27.740 0.112 0.000 2.365 301 C HN 0.779 nan 8.230 nan 0.000 0.627 302 D N -0.450 119.810 120.400 -0.233 0.000 2.836 302 D HA 0.350 4.990 4.640 -0.000 0.000 0.215 302 D C -1.737 174.176 176.300 -0.646 0.000 1.255 302 D CA 0.189 53.964 54.000 -0.377 0.000 0.822 302 D CB 2.492 43.136 40.800 -0.260 0.000 1.656 302 D HN -0.060 nan 8.370 nan 0.000 0.511 303 V N 2.087 121.504 119.914 -0.827 0.000 2.531 303 V HA 0.627 4.747 4.120 -0.000 0.000 0.301 303 V C -0.278 175.341 176.094 -0.792 0.000 1.034 303 V CA -0.368 61.278 62.300 -1.092 0.000 0.865 303 V CB 2.056 32.726 31.823 -1.921 0.000 0.995 303 V HN 0.607 nan 8.190 nan 0.000 0.424 304 T N 3.214 117.386 114.554 -0.636 0.000 2.991 304 T HA 0.349 4.699 4.350 -0.000 0.000 0.303 304 T C -1.110 173.337 174.700 -0.421 0.000 1.015 304 T CA -0.432 61.452 62.100 -0.360 0.000 1.007 304 T CB 0.990 69.746 68.868 -0.188 0.000 1.034 304 T HN 0.547 nan 8.240 nan 0.000 0.446 305 W N 2.512 123.703 121.300 -0.182 0.000 2.419 305 W HA 0.492 5.152 4.660 -0.000 0.000 0.312 305 W C 1.146 177.513 176.519 -0.253 0.000 1.323 305 W CA -0.500 56.749 57.345 -0.159 0.000 1.293 305 W CB 0.573 30.034 29.460 0.002 0.000 1.324 305 W HN 0.911 nan 8.180 nan 0.000 0.512 306 A N 2.628 125.278 122.820 -0.284 0.000 1.903 306 A HA 0.106 4.426 4.320 -0.000 0.000 0.213 306 A C 1.033 178.577 177.584 -0.067 0.000 1.185 306 A CA 1.640 53.358 52.037 -0.531 0.000 0.628 306 A CB -0.340 17.935 19.000 -1.209 0.000 0.830 306 A HN 0.497 nan 8.150 nan 0.000 0.446 307 T N -5.571 109.042 114.554 0.099 0.000 2.778 307 T HA 0.360 4.710 4.350 -0.000 0.000 0.293 307 T C 0.171 175.061 174.700 0.318 0.000 1.144 307 T CA -0.471 61.742 62.100 0.187 0.000 1.010 307 T CB 0.822 69.786 68.868 0.160 0.000 1.325 307 T HN 0.027 nan 8.240 nan 0.000 0.515 308 Q N 0.322 120.266 119.800 0.241 0.000 2.368 308 Q HA -0.071 4.269 4.340 -0.000 0.000 0.210 308 Q C 0.800 177.075 176.000 0.459 0.000 0.982 308 Q CA 1.495 57.444 55.803 0.242 0.000 0.884 308 Q CB -0.147 28.692 28.738 0.168 0.000 0.933 308 Q HN 0.832 nan 8.270 nan 0.000 0.460 309 E N 0.010 120.484 120.200 0.457 0.000 2.758 309 E HA 0.188 4.538 4.350 -0.000 0.000 0.215 309 E C -0.041 176.868 176.600 0.515 0.000 0.985 309 E CA -0.192 56.506 56.400 0.497 0.000 1.102 309 E CB 0.949 30.841 29.700 0.319 0.000 1.042 309 E HN 0.017 nan 8.360 nan 0.000 0.480 310 R N 1.681 122.462 120.500 0.468 0.000 2.533 310 R HA 0.441 4.781 4.340 -0.000 0.000 0.288 310 R C -1.524 174.736 176.300 -0.067 0.000 1.039 310 R CA -0.394 55.841 56.100 0.225 0.000 0.909 310 R CB 1.069 31.418 30.300 0.081 0.000 1.195 310 R HN -0.041 nan 8.270 nan 0.000 0.438 311 I N 1.996 122.354 120.570 -0.353 0.000 2.530 311 I HA 0.323 4.493 4.170 -0.000 0.000 0.297 311 I C -0.144 175.627 176.117 -0.577 0.000 1.011 311 I CA -0.970 59.864 61.300 -0.777 0.000 1.107 311 I CB 2.150 39.414 38.000 -1.226 0.000 1.285 311 I HN 0.473 nan 8.210 nan 0.000 0.436 312 S N 6.598 121.934 115.700 -0.606 0.000 2.433 312 S HA 0.675 5.145 4.470 -0.000 0.000 0.310 312 S C -0.781 173.472 174.600 -0.579 0.000 1.097 312 S CA -0.565 57.364 58.200 -0.452 0.000 1.103 312 S CB 0.390 63.420 63.200 -0.284 0.000 0.992 312 S HN 0.439 nan 8.310 nan 0.000 0.469 313 L N 4.631 125.521 121.223 -0.555 0.000 2.333 313 L HA 0.545 4.885 4.340 -0.000 0.000 0.280 313 L C -0.041 176.470 176.870 -0.598 0.000 1.004 313 L CA -0.545 53.838 54.840 -0.762 0.000 0.820 313 L CB 1.824 43.354 42.059 -0.883 0.000 1.247 313 L HN 0.587 nan 8.230 nan 0.000 0.416 314 Q N 2.429 121.847 119.800 -0.636 0.000 2.347 314 Q HA 0.364 4.704 4.340 -0.000 0.000 0.262 314 Q C -1.698 174.060 176.000 -0.405 0.000 0.980 314 Q CA -0.559 55.013 55.803 -0.386 0.000 0.867 314 Q CB 1.346 29.923 28.738 -0.268 0.000 1.242 314 Q HN 0.461 nan 8.270 nan 0.000 0.453 315 W N 3.461 124.704 121.300 -0.095 0.000 2.578 315 W HA 0.615 5.275 4.660 -0.000 0.000 0.353 315 W C -0.839 175.710 176.519 0.050 0.000 1.088 315 W CA -0.703 56.633 57.345 -0.015 0.000 1.235 315 W CB 1.088 30.498 29.460 -0.083 0.000 1.362 315 W HN 0.446 nan 8.180 nan 0.000 0.592 316 L N 1.958 123.424 121.223 0.405 0.000 2.455 316 L HA 0.542 4.882 4.340 -0.000 0.000 0.264 316 L C -0.364 176.714 176.870 0.346 0.000 0.968 316 L CA -1.219 53.820 54.840 0.332 0.000 0.827 316 L CB 1.541 43.786 42.059 0.311 0.000 1.317 316 L HN 0.389 nan 8.230 nan 0.000 0.407 317 R N 2.628 123.293 120.500 0.277 0.000 2.641 317 R HA 0.264 4.604 4.340 -0.000 0.000 0.269 317 R C 0.972 177.356 176.300 0.139 0.000 1.074 317 R CA -0.301 55.910 56.100 0.186 0.000 1.133 317 R CB 0.730 31.129 30.300 0.165 0.000 1.029 317 R HN 0.685 nan 8.270 nan 0.000 0.488 318 R N 1.847 122.331 120.500 -0.026 0.000 2.103 318 R HA -0.094 4.246 4.340 -0.000 0.000 0.242 318 R C 0.449 176.813 176.300 0.106 0.000 1.142 318 R CA 1.332 57.416 56.100 -0.027 0.000 0.960 318 R CB -0.070 30.146 30.300 -0.140 0.000 0.858 318 R HN 0.509 nan 8.270 nan 0.000 0.439 319 I N 2.658 123.269 120.570 0.069 0.000 2.389 319 I HA -0.036 4.134 4.170 -0.000 0.000 0.295 319 I C 0.220 176.404 176.117 0.112 0.000 1.117 319 I CA 0.417 61.762 61.300 0.075 0.000 1.317 319 I CB 1.071 39.098 38.000 0.046 0.000 1.431 319 I HN 0.230 nan 8.210 nan 0.000 0.521 320 Q N 4.919 124.786 119.800 0.113 0.000 2.903 320 Q HA 0.052 4.392 4.340 -0.000 0.000 0.295 320 Q C 0.485 176.570 176.000 0.141 0.000 1.157 320 Q CA -0.046 55.838 55.803 0.136 0.000 0.930 320 Q CB -0.163 28.622 28.738 0.079 0.000 1.571 320 Q HN 0.518 nan 8.270 nan 0.000 0.440 321 N N -0.226 118.564 118.700 0.150 0.000 2.250 321 N HA 0.041 4.781 4.740 -0.000 0.000 0.190 321 N C -1.329 174.302 175.510 0.202 0.000 1.116 321 N CA 0.268 53.404 53.050 0.143 0.000 0.881 321 N CB 0.717 39.278 38.487 0.123 0.000 1.006 321 N HN 0.329 nan 8.380 nan 0.000 0.491 322 Y N 0.321 120.655 120.300 0.056 0.000 2.399 322 Y HA 0.441 4.991 4.550 -0.000 0.000 0.327 322 Y C -1.206 174.735 175.900 0.069 0.000 1.111 322 Y CA -1.026 57.103 58.100 0.049 0.000 1.047 322 Y CB 1.089 39.570 38.460 0.034 0.000 1.259 322 Y HN -0.047 nan 8.280 nan 0.000 0.434 323 S N 3.921 119.483 115.700 -0.230 0.000 2.569 323 S HA 0.923 5.393 4.470 -0.000 0.000 0.280 323 S C -2.017 172.435 174.600 -0.246 0.000 1.111 323 S CA -0.811 57.325 58.200 -0.108 0.000 0.887 323 S CB 2.028 65.215 63.200 -0.022 0.000 1.095 323 S HN 0.509 nan 8.310 nan 0.000 0.476 324 V N 2.519 122.389 119.914 -0.073 0.000 2.623 324 V HA 0.492 4.612 4.120 -0.000 0.000 0.304 324 V C -0.738 175.362 176.094 0.011 0.000 1.054 324 V CA -0.558 61.706 62.300 -0.060 0.000 0.882 324 V CB 1.903 33.726 31.823 0.000 0.000 1.002 324 V HN 1.029 nan 8.190 nan 0.000 0.424 325 M N 3.825 123.399 119.600 -0.044 0.000 2.113 325 M HA 0.482 4.962 4.480 -0.000 0.000 0.352 325 M C -1.117 175.160 176.300 -0.039 0.000 1.170 325 M CA -0.295 54.956 55.300 -0.081 0.000 1.053 325 M CB 0.927 33.431 32.600 -0.159 0.000 1.601 325 M HN 0.631 nan 8.290 nan 0.000 0.459 326 D N 4.848 125.228 120.400 -0.033 0.000 2.192 326 D HA 0.499 5.139 4.640 -0.000 0.000 0.246 326 D C -1.154 175.094 176.300 -0.088 0.000 1.042 326 D CA -0.105 53.877 54.000 -0.029 0.000 0.847 326 D CB 1.346 42.171 40.800 0.041 0.000 1.186 326 D HN 0.523 nan 8.370 nan 0.000 0.461 327 I N 2.886 123.426 120.570 -0.050 0.000 2.362 327 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 327 I C -0.576 175.525 176.117 -0.027 0.000 0.994 327 I CA -0.485 60.787 61.300 -0.047 0.000 1.158 327 I CB 1.243 39.264 38.000 0.035 0.000 1.315 327 I HN 0.236 nan 8.210 nan 0.000 0.451 328 c N 4.180 122.751 118.600 -0.048 0.000 2.369 328 c HA 0.515 5.085 4.570 -0.000 0.000 0.322 328 c C -0.574 173.671 174.090 0.259 0.000 1.258 328 c CA -0.812 55.557 56.329 0.067 0.000 1.487 328 c CB 0.874 43.376 42.510 -0.014 0.000 2.165 328 c HN 0.574 nan 8.230 nan 0.000 0.483 329 D N 1.048 121.619 120.400 0.284 0.000 2.278 329 D HA 0.266 4.906 4.640 -0.000 0.000 0.245 329 D C -0.521 175.788 176.300 0.015 0.000 1.052 329 D CA -0.228 53.907 54.000 0.225 0.000 0.834 329 D CB 1.051 41.900 40.800 0.083 0.000 1.194 329 D HN 0.559 nan 8.370 nan 0.000 0.481 330 Y N 1.628 121.608 120.300 -0.534 0.000 2.511 330 Y HA 0.145 4.695 4.550 -0.000 0.000 0.332 330 Y C 0.005 175.606 175.900 -0.499 0.000 1.177 330 Y CA 0.005 57.393 58.100 -1.187 0.000 1.422 330 Y CB 0.590 38.334 38.460 -1.193 0.000 1.271 330 Y HN 0.158 nan 8.280 nan 0.000 0.550 331 D N 5.624 125.297 120.400 -1.212 0.000 2.443 331 D HA 0.061 4.701 4.640 -0.000 0.000 0.221 331 D C 1.037 176.751 176.300 -0.977 0.000 1.097 331 D CA -0.145 53.372 54.000 -0.806 0.000 0.865 331 D CB 0.522 41.047 40.800 -0.458 0.000 1.034 331 D HN 0.826 nan 8.370 nan 0.000 0.511 332 E N 2.146 121.959 120.200 -0.644 0.000 2.108 332 E HA -0.283 4.067 4.350 -0.000 0.000 0.203 332 E C 0.677 177.138 176.600 -0.230 0.000 1.022 332 E CA 1.512 57.709 56.400 -0.338 0.000 0.823 332 E CB 0.058 29.677 29.700 -0.134 0.000 0.744 332 E HN 0.296 nan 8.360 nan 0.000 0.456 333 S N 0.688 116.264 115.700 -0.205 0.000 2.336 333 S HA -0.159 4.311 4.470 -0.000 0.000 0.214 333 S C 2.193 176.722 174.600 -0.120 0.000 1.032 333 S CA 1.477 59.602 58.200 -0.124 0.000 1.001 333 S CB -0.421 62.719 63.200 -0.101 0.000 0.953 333 S HN 0.565 nan 8.310 nan 0.000 0.430 334 S N 0.716 116.323 115.700 -0.156 0.000 2.423 334 S HA 0.078 4.548 4.470 -0.000 0.000 0.231 334 S C 1.614 176.165 174.600 -0.082 0.000 1.014 334 S CA 1.509 59.645 58.200 -0.106 0.000 0.965 334 S CB -0.754 62.381 63.200 -0.109 0.000 0.785 334 S HN 1.031 nan 8.310 nan 0.000 0.495 335 G N 1.051 109.744 108.800 -0.178 0.000 2.153 335 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 335 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 335 G C 0.204 175.163 174.900 0.099 0.000 0.994 335 G CA 0.622 45.734 45.100 0.020 0.000 0.698 335 G HN 0.669 nan 8.290 nan 0.000 0.521 336 R N -2.119 118.323 120.500 -0.096 0.000 3.006 336 R HA 0.702 5.042 4.340 -0.000 0.000 0.235 336 R C -0.967 175.244 176.300 -0.149 0.000 1.362 336 R CA -0.930 55.181 56.100 0.018 0.000 1.067 336 R CB 0.868 31.214 30.300 0.077 0.000 1.396 336 R HN 0.149 nan 8.270 nan 0.000 0.504 337 W N 0.587 121.925 121.300 0.063 0.000 2.538 337 W HA 0.414 5.074 4.660 -0.000 0.000 0.322 337 W C -0.569 175.943 176.519 -0.011 0.000 1.028 337 W CA -0.499 56.867 57.345 0.035 0.000 1.228 337 W CB 1.252 30.728 29.460 0.027 0.000 1.356 337 W HN 0.189 nan 8.180 nan 0.000 0.452 338 N N 2.475 121.270 118.700 0.159 0.000 2.399 338 N HA 0.428 5.168 4.740 -0.000 0.000 0.295 338 N C -1.357 174.198 175.510 0.075 0.000 1.048 338 N CA -0.389 52.707 53.050 0.077 0.000 0.886 338 N CB 1.773 40.268 38.487 0.012 0.000 1.185 338 N HN 0.253 nan 8.380 nan 0.000 0.487 339 c N 3.044 121.664 118.600 0.035 0.000 2.409 339 c HA 0.304 4.874 4.570 -0.000 0.000 0.297 339 c C 0.199 174.280 174.090 -0.015 0.000 1.083 339 c CA -0.843 55.490 56.329 0.007 0.000 1.515 339 c CB -1.002 41.497 42.510 -0.018 0.000 1.869 339 c HN 0.526 nan 8.230 nan 0.000 0.413 340 L N 3.012 124.229 121.223 -0.011 0.000 2.562 340 L HA 0.052 4.392 4.340 -0.000 0.000 0.271 340 L C 1.499 178.346 176.870 -0.040 0.000 1.167 340 L CA 0.688 55.514 54.840 -0.023 0.000 0.917 340 L CB 0.594 42.644 42.059 -0.015 0.000 1.187 340 L HN 0.603 nan 8.230 nan 0.000 0.482 341 V N 4.337 124.223 119.914 -0.046 0.000 2.380 341 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 341 V C 2.135 178.189 176.094 -0.067 0.000 1.063 341 V CA 2.067 64.333 62.300 -0.057 0.000 1.055 341 V CB -0.807 30.985 31.823 -0.051 0.000 0.657 341 V HN 0.998 nan 8.190 nan 0.000 0.455 342 A N -0.417 122.367 122.820 -0.060 0.000 2.206 342 A HA -0.095 4.225 4.320 -0.000 0.000 0.211 342 A C 2.239 179.760 177.584 -0.106 0.000 1.158 342 A CA 1.047 53.041 52.037 -0.071 0.000 0.761 342 A CB -0.411 18.559 19.000 -0.049 0.000 0.801 342 A HN 0.521 nan 8.150 nan 0.000 0.473 343 R N 0.007 120.447 120.500 -0.099 0.000 2.466 343 R HA 0.164 4.503 4.340 -0.000 0.000 0.279 343 R C -0.372 175.815 176.300 -0.187 0.000 0.976 343 R CA -0.163 55.864 56.100 -0.121 0.000 1.081 343 R CB -0.071 30.212 30.300 -0.029 0.000 1.215 343 R HN 0.553 nan 8.270 nan 0.000 0.546 344 Q N 0.726 120.407 119.800 -0.198 0.000 2.332 344 Q HA 0.072 4.412 4.340 -0.000 0.000 0.263 344 Q C -1.079 174.719 176.000 -0.338 0.000 0.979 344 Q CA 0.347 56.043 55.803 -0.178 0.000 0.885 344 Q CB 1.020 29.690 28.738 -0.113 0.000 1.218 344 Q HN 0.335 nan 8.270 nan 0.000 0.405 345 H N 1.413 120.449 119.070 -0.056 0.000 2.459 345 H HA 0.445 5.001 4.556 -0.000 0.000 0.332 345 H C -0.709 174.542 175.328 -0.130 0.000 1.094 345 H CA -0.419 55.581 56.048 -0.081 0.000 1.224 345 H CB 0.974 30.672 29.762 -0.106 0.000 1.449 345 H HN 0.427 nan 8.280 nan 0.000 0.484 346 I N 2.995 123.555 120.570 -0.016 0.000 2.433 346 I HA 0.276 4.446 4.170 -0.000 0.000 0.292 346 I C -0.429 175.609 176.117 -0.132 0.000 1.001 346 I CA -0.497 60.708 61.300 -0.158 0.000 1.119 346 I CB 1.776 39.666 38.000 -0.184 0.000 1.289 346 I HN 0.549 nan 8.210 nan 0.000 0.438 347 E N 7.128 127.205 120.200 -0.205 0.000 2.266 347 E HA 0.705 5.055 4.350 -0.000 0.000 0.268 347 E C -1.194 175.310 176.600 -0.159 0.000 0.879 347 E CA -0.826 55.507 56.400 -0.113 0.000 0.762 347 E CB 2.868 32.534 29.700 -0.056 0.000 1.199 347 E HN 0.445 nan 8.360 nan 0.000 0.422 348 M N 0.936 120.503 119.600 -0.056 0.000 2.593 348 M HA 0.492 4.972 4.480 -0.000 0.000 0.290 348 M C -0.744 175.567 176.300 0.018 0.000 1.244 348 M CA -0.995 54.312 55.300 0.011 0.000 0.857 348 M CB 2.513 35.161 32.600 0.081 0.000 1.738 348 M HN 0.355 nan 8.290 nan 0.000 0.461 349 S N -0.711 115.002 115.700 0.021 0.000 2.536 349 S HA 0.517 4.987 4.470 -0.000 0.000 0.287 349 S C -0.105 174.478 174.600 -0.029 0.000 1.101 349 S CA -0.346 57.837 58.200 -0.029 0.000 0.950 349 S CB 2.089 65.229 63.200 -0.100 0.000 1.056 349 S HN 0.758 nan 8.310 nan 0.000 0.481 350 T N 2.412 116.941 114.554 -0.042 0.000 3.034 350 T HA 0.082 4.432 4.350 -0.000 0.000 0.248 350 T C 1.597 176.248 174.700 -0.082 0.000 1.040 350 T CA 0.920 62.998 62.100 -0.038 0.000 1.107 350 T CB -0.145 68.714 68.868 -0.015 0.000 0.932 350 T HN 0.679 nan 8.240 nan 0.000 0.474 351 T N 0.600 115.083 114.554 -0.118 0.000 2.951 351 T HA 0.280 4.630 4.350 -0.000 0.000 0.268 351 T C 1.194 175.642 174.700 -0.419 0.000 1.073 351 T CA 1.108 63.118 62.100 -0.150 0.000 1.134 351 T CB 0.005 68.866 68.868 -0.012 0.000 0.884 351 T HN 0.543 nan 8.240 nan 0.000 0.479 352 G N -0.162 108.256 108.800 -0.637 0.000 2.927 352 G HA2 0.419 4.379 3.960 -0.000 0.000 0.111 352 G HA3 0.419 4.379 3.960 -0.000 0.000 0.111 352 G C -1.621 173.027 174.900 -0.418 0.000 1.198 352 G CA -0.306 44.305 45.100 -0.815 0.000 1.382 352 G HN 0.432 nan 8.290 nan 0.000 0.663 353 W N 0.079 121.140 121.300 -0.399 0.000 2.758 353 W HA 0.804 5.464 4.660 -0.000 0.000 0.355 353 W C -0.535 175.949 176.519 -0.058 0.000 1.223 353 W CA -1.401 55.846 57.345 -0.164 0.000 1.182 353 W CB 0.965 30.321 29.460 -0.174 0.000 1.464 353 W HN 0.298 nan 8.180 nan 0.000 0.630 354 V N 3.296 123.326 119.914 0.193 0.000 2.385 354 V HA 0.646 4.766 4.120 -0.000 0.000 0.269 354 V C 0.841 177.043 176.094 0.181 0.000 1.043 354 V CA 0.580 62.944 62.300 0.108 0.000 0.906 354 V CB -0.201 31.679 31.823 0.096 0.000 0.995 354 V HN 1.310 nan 8.190 nan 0.000 0.467 355 G N 5.645 114.503 108.800 0.097 0.000 2.681 355 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 355 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 355 G C 0.269 175.278 174.900 0.182 0.000 1.353 355 G CA 0.403 45.575 45.100 0.119 0.000 0.872 355 G HN 0.612 nan 8.290 nan 0.000 0.557 356 R N -1.495 119.083 120.500 0.130 0.000 2.023 356 R HA 0.352 4.691 4.340 -0.000 0.000 0.217 356 R C 2.171 178.447 176.300 -0.040 0.000 1.255 356 R CA 1.596 57.709 56.100 0.022 0.000 0.981 356 R CB -0.224 30.000 30.300 -0.126 0.000 0.853 356 R HN 0.369 nan 8.270 nan 0.000 0.463 357 F N 0.589 120.662 119.950 0.204 0.000 2.695 357 F HA 0.286 4.813 4.527 -0.000 0.000 0.303 357 F C 0.422 176.258 175.800 0.061 0.000 1.091 357 F CA -0.176 57.897 58.000 0.122 0.000 1.300 357 F CB 0.448 39.537 39.000 0.148 0.000 1.071 357 F HN 0.068 nan 8.300 nan 0.000 0.578 358 R N -1.954 118.681 120.500 0.225 0.000 2.829 358 R HA 0.338 4.678 4.340 -0.000 0.000 0.283 358 R C -3.429 172.952 176.300 0.135 0.000 1.013 358 R CA -1.790 54.399 56.100 0.148 0.000 0.848 358 R CB 0.024 30.407 30.300 0.139 0.000 1.291 358 R HN -0.338 nan 8.270 nan 0.000 0.496 359 P HA 0.011 nan 4.420 nan 0.000 0.265 359 P C -0.298 177.040 177.300 0.064 0.000 1.193 359 P CA 0.088 63.229 63.100 0.067 0.000 0.765 359 P CB 0.795 32.514 31.700 0.031 0.000 0.823 360 S N 1.409 117.151 115.700 0.069 0.000 2.584 360 S HA 0.102 4.572 4.470 -0.000 0.000 0.270 360 S C 0.139 174.775 174.600 0.061 0.000 1.346 360 S CA -0.737 57.519 58.200 0.093 0.000 1.018 360 S CB 0.439 63.709 63.200 0.117 0.000 0.899 360 S HN 0.514 nan 8.310 nan 0.000 0.542 361 E N 1.892 122.155 120.200 0.104 0.000 2.338 361 E HA 0.258 4.608 4.350 -0.000 0.000 0.272 361 E C -2.377 174.265 176.600 0.069 0.000 1.029 361 E CA -2.275 54.149 56.400 0.040 0.000 0.872 361 E CB 0.550 30.285 29.700 0.059 0.000 1.015 361 E HN 0.437 nan 8.360 nan 0.000 0.417 362 P HA 0.208 nan 4.420 nan 0.000 0.292 362 P C -1.468 175.787 177.300 -0.076 0.000 1.287 362 P CA -0.381 62.639 63.100 -0.132 0.000 0.800 362 P CB 0.743 32.078 31.700 -0.608 0.000 0.945 363 H N 2.311 121.433 119.070 0.087 0.000 2.595 363 H HA 0.405 4.961 4.556 -0.000 0.000 0.313 363 H C -0.339 175.137 175.328 0.247 0.000 1.023 363 H CA -0.243 55.927 56.048 0.204 0.000 1.218 363 H CB -0.054 29.841 29.762 0.220 0.000 1.403 363 H HN 0.244 nan 8.280 nan 0.000 0.477 364 F N 1.642 121.774 119.950 0.303 0.000 2.412 364 F HA 0.174 4.701 4.527 -0.000 0.000 0.348 364 F C 1.231 177.218 175.800 0.313 0.000 1.102 364 F CA -0.700 57.485 58.000 0.308 0.000 1.196 364 F CB 0.878 39.987 39.000 0.182 0.000 1.144 364 F HN 0.441 nan 8.300 nan 0.000 0.541 365 T N 0.940 115.790 114.554 0.493 0.000 2.795 365 T HA 0.020 4.370 4.350 -0.000 0.000 0.314 365 T C 1.158 176.053 174.700 0.325 0.000 1.069 365 T CA -0.775 61.556 62.100 0.386 0.000 1.071 365 T CB 0.637 69.715 68.868 0.349 0.000 0.988 365 T HN 0.594 nan 8.240 nan 0.000 0.543 366 L N 1.318 122.686 121.223 0.241 0.000 2.081 366 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 366 L C 1.946 178.926 176.870 0.183 0.000 1.080 366 L CA 2.361 57.317 54.840 0.193 0.000 0.754 366 L CB -1.081 41.066 42.059 0.147 0.000 0.893 366 L HN 0.944 nan 8.230 nan 0.000 0.433 367 D N -1.780 118.732 120.400 0.187 0.000 2.349 367 D HA 0.123 4.763 4.640 -0.000 0.000 0.224 367 D C 1.627 178.039 176.300 0.188 0.000 1.029 367 D CA 0.695 54.794 54.000 0.165 0.000 0.879 367 D CB -0.416 40.470 40.800 0.143 0.000 0.906 367 D HN 0.377 nan 8.370 nan 0.000 0.528 368 G N 0.457 109.411 108.800 0.256 0.000 2.155 368 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.257 368 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.257 368 G C 0.989 176.105 174.900 0.361 0.000 0.983 368 G CA 0.399 45.676 45.100 0.296 0.000 0.676 368 G HN 0.359 nan 8.290 nan 0.000 0.528 369 N N 0.184 119.059 118.700 0.292 0.000 2.353 369 N HA 0.225 4.965 4.740 -0.000 0.000 0.185 369 N C 0.960 176.592 175.510 0.203 0.000 1.098 369 N CA 1.121 54.308 53.050 0.229 0.000 0.872 369 N CB 0.418 38.997 38.487 0.153 0.000 0.970 369 N HN 0.961 nan 8.380 nan 0.000 0.467 370 S N -0.819 115.028 115.700 0.245 0.000 2.615 370 S HA 0.750 5.220 4.470 -0.000 0.000 0.269 370 S C -1.042 173.607 174.600 0.080 0.000 1.161 370 S CA -0.979 57.232 58.200 0.017 0.000 0.817 370 S CB 1.603 64.734 63.200 -0.116 0.000 1.131 370 S HN 0.087 nan 8.310 nan 0.000 0.467 371 F N -1.937 117.794 119.950 -0.366 0.000 2.741 371 F HA 0.846 5.373 4.527 -0.000 0.000 0.313 371 F C -2.231 173.375 175.800 -0.323 0.000 1.153 371 F CA -1.521 56.242 58.000 -0.395 0.000 0.931 371 F CB 0.528 38.931 39.000 -0.995 0.000 1.335 371 F HN 0.616 nan 8.300 nan 0.000 0.460 372 Y N 0.907 121.348 120.300 0.234 0.000 2.468 372 Y HA 0.742 5.292 4.550 -0.000 0.000 0.342 372 Y C -0.256 175.817 175.900 0.288 0.000 1.021 372 Y CA -0.992 57.223 58.100 0.192 0.000 1.079 372 Y CB 2.268 40.794 38.460 0.109 0.000 1.226 372 Y HN 0.725 nan 8.280 nan 0.000 0.460 373 K N 2.244 122.875 120.400 0.384 0.000 2.562 373 K HA 0.532 4.852 4.320 -0.000 0.000 0.267 373 K C -1.726 175.011 176.600 0.228 0.000 0.938 373 K CA -0.568 55.910 56.287 0.319 0.000 0.840 373 K CB 1.858 34.543 32.500 0.309 0.000 1.390 373 K HN 0.687 nan 8.250 nan 0.000 0.428 374 I N 4.487 125.163 120.570 0.176 0.000 2.441 374 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 374 I C -0.155 176.053 176.117 0.150 0.000 1.049 374 I CA -0.267 61.115 61.300 0.136 0.000 1.381 374 I CB 0.665 38.728 38.000 0.105 0.000 1.409 374 I HN 0.455 nan 8.210 nan 0.000 0.523 375 I N 3.956 124.634 120.570 0.181 0.000 2.841 375 I HA 0.105 4.275 4.170 -0.000 0.000 0.298 375 I C -0.252 176.006 176.117 0.235 0.000 1.304 375 I CA -0.378 61.040 61.300 0.196 0.000 1.019 375 I CB 2.433 40.564 38.000 0.218 0.000 1.282 375 I HN 0.409 nan 8.210 nan 0.000 0.432 376 S N 4.356 120.139 115.700 0.139 0.000 2.510 376 S HA 0.191 4.661 4.470 -0.000 0.000 0.279 376 S C -0.116 174.543 174.600 0.098 0.000 1.284 376 S CA -0.400 57.837 58.200 0.062 0.000 1.059 376 S CB -0.153 63.035 63.200 -0.020 0.000 0.901 376 S HN 0.699 nan 8.310 nan 0.000 0.491 377 N N 3.018 121.669 118.700 -0.081 0.000 2.405 377 N HA 0.206 4.945 4.740 -0.000 0.000 0.269 377 N C 0.613 176.010 175.510 -0.187 0.000 1.249 377 N CA -0.759 52.066 53.050 -0.375 0.000 0.974 377 N CB 0.429 38.305 38.487 -1.017 0.000 1.204 377 N HN 0.627 nan 8.380 nan 0.000 0.565 378 E N -0.493 119.586 120.200 -0.202 0.000 2.267 378 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 378 E C 0.626 177.170 176.600 -0.094 0.000 0.998 378 E CA 1.142 57.480 56.400 -0.103 0.000 0.830 378 E CB 0.045 29.694 29.700 -0.084 0.000 0.751 378 E HN 0.565 nan 8.360 nan 0.000 0.491 379 E N -0.797 119.337 120.200 -0.109 0.000 2.502 379 E HA 0.059 4.409 4.350 -0.000 0.000 0.194 379 E C 0.900 177.493 176.600 -0.012 0.000 1.062 379 E CA 0.573 56.960 56.400 -0.022 0.000 0.867 379 E CB 0.470 30.183 29.700 0.022 0.000 0.888 379 E HN 0.316 nan 8.360 nan 0.000 0.510 380 G N 0.156 108.905 108.800 -0.086 0.000 2.149 380 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.235 380 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.235 380 G C -0.561 174.136 174.900 -0.338 0.000 1.018 380 G CA -0.137 44.842 45.100 -0.202 0.000 0.728 380 G HN 0.233 nan 8.290 nan 0.000 0.508 381 Y N -0.177 120.027 120.300 -0.161 0.000 2.364 381 Y HA 0.609 5.159 4.550 -0.000 0.000 0.340 381 Y C 1.067 176.906 175.900 -0.102 0.000 0.975 381 Y CA -1.036 56.982 58.100 -0.137 0.000 1.089 381 Y CB 1.226 39.615 38.460 -0.118 0.000 1.192 381 Y HN 0.134 nan 8.280 nan 0.000 0.454 382 R N 3.049 123.522 120.500 -0.046 0.000 2.351 382 R HA 0.262 4.602 4.340 -0.000 0.000 0.318 382 R C -1.088 175.060 176.300 -0.253 0.000 1.055 382 R CA 0.197 56.257 56.100 -0.066 0.000 0.968 382 R CB -0.053 30.211 30.300 -0.060 0.000 0.974 382 R HN 0.696 nan 8.270 nan 0.000 0.439 383 H N 0.696 119.741 119.070 -0.043 0.000 2.946 383 H HA 0.361 4.917 4.556 -0.000 0.000 0.365 383 H C -0.370 175.002 175.328 0.074 0.000 1.197 383 H CA -0.789 55.205 56.048 -0.091 0.000 1.131 383 H CB 1.516 31.125 29.762 -0.256 0.000 1.849 383 H HN 0.356 nan 8.280 nan 0.000 0.555 384 I N 1.425 122.043 120.570 0.080 0.000 2.471 384 I HA 0.058 4.228 4.170 -0.000 0.000 0.286 384 I C -0.184 175.935 176.117 0.004 0.000 1.079 384 I CA 0.241 61.556 61.300 0.026 0.000 1.398 384 I CB 0.194 38.129 38.000 -0.109 0.000 1.403 384 I HN 0.279 nan 8.210 nan 0.000 0.530 385 c N 7.028 125.561 118.600 -0.111 0.000 2.382 385 c HA 0.406 4.976 4.570 -0.000 0.000 0.327 385 c C -0.308 173.547 174.090 -0.392 0.000 1.250 385 c CA -0.472 55.555 56.329 -0.503 0.000 1.707 385 c CB 0.938 42.937 42.510 -0.852 0.000 2.272 385 c HN 0.620 nan 8.230 nan 0.000 0.506 386 Y N 4.162 124.024 120.300 -0.731 0.000 2.328 386 Y HA 0.672 5.222 4.550 -0.000 0.000 0.337 386 Y C -1.076 174.237 175.900 -0.977 0.000 1.008 386 Y CA -0.893 56.724 58.100 -0.804 0.000 1.129 386 Y CB 0.315 38.419 38.460 -0.593 0.000 1.185 386 Y HN 0.612 nan 8.280 nan 0.000 0.476 387 F N 4.004 123.108 119.950 -1.410 0.000 2.532 387 F HA 0.513 5.040 4.527 -0.000 0.000 0.321 387 F C -0.380 174.588 175.800 -1.387 0.000 1.089 387 F CA -0.750 56.398 58.000 -1.419 0.000 0.926 387 F CB 2.020 39.814 39.000 -2.010 0.000 1.168 387 F HN 0.361 nan 8.300 nan 0.000 0.459 388 Q N 2.861 122.228 119.800 -0.722 0.000 2.312 388 Q HA 0.408 4.748 4.340 -0.000 0.000 0.263 388 Q C 0.815 176.745 176.000 -0.117 0.000 0.995 388 Q CA -0.679 54.861 55.803 -0.437 0.000 0.853 388 Q CB 2.837 31.369 28.738 -0.343 0.000 1.300 388 Q HN 0.732 nan 8.270 nan 0.000 0.448 389 I N 1.014 121.611 120.570 0.045 0.000 2.194 389 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 389 I C 0.803 177.058 176.117 0.230 0.000 1.093 389 I CA 1.509 62.961 61.300 0.252 0.000 1.355 389 I CB 0.250 38.400 38.000 0.250 0.000 1.046 389 I HN 0.651 nan 8.210 nan 0.000 0.413 390 D N 0.803 121.268 120.400 0.108 0.000 2.463 390 D HA 0.148 4.788 4.640 -0.000 0.000 0.224 390 D C 0.007 176.329 176.300 0.035 0.000 1.174 390 D CA 0.276 54.308 54.000 0.053 0.000 0.829 390 D CB 0.347 41.166 40.800 0.031 0.000 0.993 390 D HN 0.233 nan 8.370 nan 0.000 0.497 391 K N 0.258 120.700 120.400 0.070 0.000 2.318 391 K HA 0.267 4.587 4.320 -0.000 0.000 0.249 391 K C 0.939 177.623 176.600 0.140 0.000 0.942 391 K CA -0.519 55.791 56.287 0.039 0.000 0.808 391 K CB 2.605 35.085 32.500 -0.033 0.000 1.189 391 K HN -0.164 nan 8.250 nan 0.000 0.428 392 K N -0.146 120.302 120.400 0.080 0.000 2.099 392 K HA 0.076 4.396 4.320 -0.000 0.000 0.203 392 K C 0.462 177.136 176.600 0.122 0.000 1.047 392 K CA 0.613 56.977 56.287 0.130 0.000 0.963 392 K CB 0.083 32.606 32.500 0.039 0.000 0.759 392 K HN 0.370 nan 8.250 nan 0.000 0.451 393 D N 0.615 121.002 120.400 -0.021 0.000 2.451 393 D HA 0.200 4.840 4.640 -0.000 0.000 0.259 393 D C 0.080 176.164 176.300 -0.360 0.000 1.201 393 D CA -0.281 53.645 54.000 -0.122 0.000 1.028 393 D CB 1.354 42.082 40.800 -0.119 0.000 1.095 393 D HN 0.398 nan 8.370 nan 0.000 0.539 394 c N -1.904 116.329 118.600 -0.611 0.000 2.822 394 c HA 0.809 5.379 4.570 -0.000 0.000 0.341 394 c C -0.174 173.477 174.090 -0.732 0.000 1.301 394 c CA -0.598 55.089 56.329 -1.069 0.000 1.706 394 c CB 1.210 42.380 42.510 -2.234 0.000 2.178 394 c HN 0.440 nan 8.230 nan 0.000 0.481 395 T N 1.708 115.856 114.554 -0.677 0.000 2.815 395 T HA 0.502 4.852 4.350 -0.000 0.000 0.289 395 T C -0.760 173.676 174.700 -0.440 0.000 1.000 395 T CA 0.159 62.033 62.100 -0.376 0.000 0.958 395 T CB 0.252 69.058 68.868 -0.103 0.000 0.944 395 T HN 0.464 nan 8.240 nan 0.000 0.442 396 F N 2.508 122.322 119.950 -0.227 0.000 2.484 396 F HA 0.294 4.820 4.527 -0.000 0.000 0.360 396 F C 1.263 176.905 175.800 -0.264 0.000 1.101 396 F CA -0.474 57.386 58.000 -0.233 0.000 1.251 396 F CB 0.483 39.352 39.000 -0.218 0.000 1.132 396 F HN 0.519 nan 8.300 nan 0.000 0.570 397 I N 0.704 121.192 120.570 -0.137 0.000 4.288 397 I HA 0.048 4.218 4.170 -0.000 0.000 0.331 397 I C 0.283 176.305 176.117 -0.158 0.000 1.322 397 I CA 0.386 61.454 61.300 -0.387 0.000 1.149 397 I CB 0.305 37.890 38.000 -0.692 0.000 1.112 397 I HN 0.669 nan 8.210 nan 0.000 0.403 398 T N -1.019 113.491 114.554 -0.074 0.000 2.896 398 T HA 0.800 5.149 4.350 -0.000 0.000 0.297 398 T C -0.692 173.770 174.700 -0.396 0.000 1.108 398 T CA -0.776 61.297 62.100 -0.046 0.000 1.004 398 T CB 2.637 71.555 68.868 0.084 0.000 1.159 398 T HN 0.122 nan 8.240 nan 0.000 0.499 399 K N -0.685 119.272 120.400 -0.738 0.000 2.658 399 K HA 0.808 5.128 4.320 -0.000 0.000 0.293 399 K C -0.269 175.631 176.600 -1.165 0.000 1.026 399 K CA -0.572 54.803 56.287 -1.520 0.000 0.871 399 K CB 1.041 33.077 32.500 -0.773 0.000 1.524 399 K HN 1.688 nan 8.250 nan 0.000 0.400 400 G N -0.408 107.732 108.800 -1.100 0.000 2.353 400 G HA2 0.039 3.999 3.960 -0.000 0.000 0.615 400 G HA3 0.039 3.999 3.960 -0.000 0.000 0.615 400 G C -0.984 173.367 174.900 -0.914 0.000 1.280 400 G CA -0.492 44.165 45.100 -0.739 0.000 1.000 400 G HN 0.629 nan 8.290 nan 0.000 0.516 401 T N 2.429 116.563 114.554 -0.699 0.000 4.058 401 T HA 0.499 4.849 4.350 -0.000 0.000 0.252 401 T C -0.031 174.480 174.700 -0.316 0.000 1.264 401 T CA 0.936 62.457 62.100 -0.965 0.000 1.094 401 T CB -1.245 67.366 68.868 -0.427 0.000 1.316 401 T HN 0.833 nan 8.240 nan 0.000 0.872 402 W N -0.229 120.927 121.300 -0.241 0.000 2.881 402 W HA 0.547 5.207 4.660 -0.000 0.000 0.380 402 W C -1.533 175.006 176.519 0.033 0.000 1.170 402 W CA -0.972 56.382 57.345 0.015 0.000 1.171 402 W CB 0.800 30.239 29.460 -0.034 0.000 1.464 402 W HN -0.013 nan 8.180 nan 0.000 0.574 403 E N 0.844 121.273 120.200 0.382 0.000 2.317 403 E HA 0.442 4.792 4.350 -0.000 0.000 0.270 403 E C -1.224 175.502 176.600 0.211 0.000 0.885 403 E CA -1.135 55.302 56.400 0.063 0.000 0.760 403 E CB 3.469 33.248 29.700 0.132 0.000 1.227 403 E HN 0.164 nan 8.360 nan 0.000 0.434 404 V N 3.584 123.478 119.914 -0.033 0.000 2.488 404 V HA 0.091 4.211 4.120 -0.000 0.000 0.277 404 V C 1.121 177.300 176.094 0.142 0.000 1.046 404 V CA 0.384 62.747 62.300 0.105 0.000 0.986 404 V CB 0.710 32.472 31.823 -0.101 0.000 0.989 404 V HN 0.709 nan 8.190 nan 0.000 0.475 405 I N 3.118 123.808 120.570 0.200 0.000 2.585 405 I HA 0.293 4.463 4.170 -0.000 0.000 0.254 405 I C 1.127 177.361 176.117 0.195 0.000 1.129 405 I CA 0.949 62.370 61.300 0.203 0.000 1.455 405 I CB 0.254 38.327 38.000 0.122 0.000 1.111 405 I HN 0.747 nan 8.210 nan 0.000 0.433 406 G N 0.653 109.565 108.800 0.187 0.000 2.702 406 G HA2 0.520 4.480 3.960 -0.000 0.000 0.296 406 G HA3 0.520 4.480 3.960 -0.000 0.000 0.296 406 G C -1.271 173.718 174.900 0.149 0.000 1.463 406 G CA -0.547 44.655 45.100 0.170 0.000 0.890 406 G HN -0.069 nan 8.290 nan 0.000 0.534 407 I N 1.814 122.398 120.570 0.023 0.000 2.352 407 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 407 I C 0.736 176.809 176.117 -0.074 0.000 1.036 407 I CA -0.412 60.809 61.300 -0.131 0.000 1.336 407 I CB 1.592 39.261 38.000 -0.552 0.000 1.407 407 I HN 0.501 nan 8.210 nan 0.000 0.497 408 E N 5.036 125.270 120.200 0.057 0.000 2.372 408 E HA 0.349 4.699 4.350 -0.000 0.000 0.201 408 E C 0.142 176.773 176.600 0.052 0.000 0.938 408 E CA 0.170 56.661 56.400 0.150 0.000 0.944 408 E CB 0.985 30.841 29.700 0.259 0.000 0.937 408 E HN 0.675 nan 8.360 nan 0.000 0.495 409 A N 0.617 123.364 122.820 -0.122 0.000 2.608 409 A HA 0.644 4.964 4.320 -0.000 0.000 0.292 409 A C -1.999 175.534 177.584 -0.085 0.000 1.066 409 A CA -0.645 51.249 52.037 -0.238 0.000 0.676 409 A CB 1.332 19.768 19.000 -0.940 0.000 1.277 409 A HN 0.043 nan 8.150 nan 0.000 0.413 410 L N 1.077 122.282 121.223 -0.030 0.000 2.516 410 L HA 0.780 5.120 4.340 -0.000 0.000 0.267 410 L C -0.018 176.881 176.870 0.047 0.000 0.957 410 L CA 0.578 55.421 54.840 0.005 0.000 0.860 410 L CB 2.083 44.164 42.059 0.037 0.000 1.265 410 L HN 1.316 nan 8.230 nan 0.000 0.403 411 T N -0.293 114.295 114.554 0.056 0.000 2.807 411 T HA 0.440 4.790 4.350 -0.000 0.000 0.277 411 T C 0.960 175.673 174.700 0.023 0.000 1.006 411 T CA 0.092 62.230 62.100 0.063 0.000 1.006 411 T CB 1.158 70.086 68.868 0.100 0.000 1.274 411 T HN 0.687 nan 8.240 nan 0.000 0.569 412 S N -0.495 115.208 115.700 0.004 0.000 2.453 412 S HA -0.036 4.434 4.470 -0.000 0.000 0.231 412 S C 0.860 175.376 174.600 -0.140 0.000 1.005 412 S CA 0.809 58.993 58.200 -0.027 0.000 0.949 412 S CB -0.561 62.633 63.200 -0.010 0.000 0.774 412 S HN 0.691 nan 8.310 nan 0.000 0.510 413 D N -0.322 119.911 120.400 -0.278 0.000 2.338 413 D HA 0.219 4.858 4.640 -0.000 0.000 0.208 413 D C -0.536 175.260 176.300 -0.840 0.000 0.997 413 D CA 0.672 54.272 54.000 -0.666 0.000 0.880 413 D CB 0.161 40.361 40.800 -0.999 0.000 0.980 413 D HN 0.467 nan 8.370 nan 0.000 0.509 414 Y N -0.392 119.837 120.300 -0.120 0.000 2.544 414 Y HA 0.472 5.022 4.550 -0.000 0.000 0.342 414 Y C -0.724 175.003 175.900 -0.287 0.000 1.062 414 Y CA -1.056 56.890 58.100 -0.256 0.000 1.023 414 Y CB 1.940 40.146 38.460 -0.423 0.000 1.308 414 Y HN -0.292 nan 8.280 nan 0.000 0.457 415 L N 2.875 123.985 121.223 -0.190 0.000 2.325 415 L HA 0.649 4.989 4.340 -0.000 0.000 0.281 415 L C -1.906 174.850 176.870 -0.189 0.000 1.004 415 L CA -0.572 54.139 54.840 -0.214 0.000 0.823 415 L CB 0.869 42.722 42.059 -0.343 0.000 1.236 415 L HN 0.632 nan 8.230 nan 0.000 0.415 416 Y N 4.888 125.107 120.300 -0.135 0.000 2.341 416 Y HA 0.553 5.103 4.550 -0.000 0.000 0.337 416 Y C -0.472 175.431 175.900 0.005 0.000 1.014 416 Y CA -0.366 57.655 58.100 -0.132 0.000 1.111 416 Y CB 1.412 39.683 38.460 -0.314 0.000 1.194 416 Y HN 0.543 nan 8.280 nan 0.000 0.462 417 Y N 0.133 120.497 120.300 0.106 0.000 2.615 417 Y HA 0.827 5.377 4.550 -0.000 0.000 0.341 417 Y C -1.718 174.262 175.900 0.133 0.000 1.089 417 Y CA -1.981 56.170 58.100 0.085 0.000 1.049 417 Y CB 1.131 39.615 38.460 0.041 0.000 1.296 417 Y HN 0.429 nan 8.280 nan 0.000 0.470 418 I N 2.992 123.716 120.570 0.255 0.000 2.412 418 I HA 0.638 4.808 4.170 -0.000 0.000 0.296 418 I C -0.287 176.006 176.117 0.293 0.000 0.987 418 I CA -0.402 60.995 61.300 0.160 0.000 1.180 418 I CB 1.944 39.991 38.000 0.079 0.000 1.340 418 I HN 0.870 nan 8.210 nan 0.000 0.455 419 S N 3.477 119.317 115.700 0.233 0.000 2.638 419 S HA 0.355 4.825 4.470 -0.000 0.000 0.274 419 S C -0.366 174.273 174.600 0.065 0.000 1.157 419 S CA -0.978 57.339 58.200 0.195 0.000 0.826 419 S CB 1.507 64.811 63.200 0.174 0.000 1.139 419 S HN 0.757 nan 8.310 nan 0.000 0.474 420 N N -0.456 118.275 118.700 0.052 0.000 2.327 420 N HA 0.101 4.841 4.740 -0.000 0.000 0.231 420 N C 0.849 176.313 175.510 -0.077 0.000 1.130 420 N CA -0.256 52.787 53.050 -0.012 0.000 0.845 420 N CB 0.240 38.715 38.487 -0.020 0.000 1.073 420 N HN 0.774 nan 8.380 nan 0.000 0.496 421 E N 0.724 120.719 120.200 -0.341 0.000 2.085 421 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 421 E C -0.232 176.236 176.600 -0.219 0.000 0.994 421 E CA 0.639 56.617 56.400 -0.704 0.000 0.801 421 E CB -0.043 28.738 29.700 -1.532 0.000 0.743 421 E HN 0.405 nan 8.360 nan 0.000 0.453 422 Y N 1.918 122.134 120.300 -0.141 0.000 2.802 422 Y HA -0.127 4.423 4.550 -0.000 0.000 0.333 422 Y C 0.306 176.173 175.900 -0.054 0.000 1.244 422 Y CA 0.772 58.834 58.100 -0.063 0.000 1.558 422 Y CB -0.032 38.412 38.460 -0.027 0.000 1.233 422 Y HN 0.068 nan 8.280 nan 0.000 0.547 423 K N 3.400 123.515 120.400 -0.475 0.000 3.130 423 K HA -0.247 4.073 4.320 -0.000 0.000 0.282 423 K C 0.888 177.416 176.600 -0.120 0.000 1.145 423 K CA 0.739 56.804 56.287 -0.370 0.000 0.831 423 K CB -1.874 30.342 32.500 -0.474 0.000 1.226 423 K HN 1.238 nan 8.250 nan 0.000 0.478 424 G N 0.522 109.275 108.800 -0.079 0.000 2.203 424 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.263 424 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.263 424 G C 0.076 174.975 174.900 -0.002 0.000 1.012 424 G CA 0.852 45.956 45.100 0.008 0.000 0.749 424 G HN 0.370 nan 8.290 nan 0.000 0.512 425 M N 0.171 119.700 119.600 -0.118 0.000 2.151 425 M HA 0.228 4.708 4.480 -0.000 0.000 0.349 425 M C -1.281 174.774 176.300 -0.408 0.000 1.284 425 M CA -1.846 53.234 55.300 -0.368 0.000 1.173 425 M CB 1.346 33.803 32.600 -0.237 0.000 1.469 425 M HN -0.142 nan 8.290 nan 0.000 0.439 426 P HA -0.088 nan 4.420 nan 0.000 0.221 426 P C 1.185 178.323 177.300 -0.269 0.000 1.145 426 P CA 0.969 63.875 63.100 -0.322 0.000 0.795 426 P CB 0.210 31.714 31.700 -0.326 0.000 0.775 427 G N -1.233 107.353 108.800 -0.356 0.000 3.141 427 G HA2 0.267 4.227 3.960 -0.000 0.000 0.218 427 G HA3 0.267 4.227 3.960 -0.000 0.000 0.218 427 G C 0.654 175.557 174.900 0.006 0.000 1.170 427 G CA 0.085 45.102 45.100 -0.138 0.000 0.769 427 G HN 0.371 nan 8.290 nan 0.000 0.546 428 G N -0.234 108.523 108.800 -0.072 0.000 2.491 428 G HA2 0.656 4.616 3.960 -0.000 0.000 0.327 428 G HA3 0.656 4.616 3.960 -0.000 0.000 0.327 428 G C -0.782 174.032 174.900 -0.143 0.000 1.189 428 G CA -0.798 44.299 45.100 -0.004 0.000 0.956 428 G HN 0.113 nan 8.290 nan 0.000 0.491 429 R N 0.952 121.332 120.500 -0.199 0.000 2.522 429 R HA 0.361 4.701 4.340 -0.000 0.000 0.283 429 R C -1.368 174.885 176.300 -0.080 0.000 1.074 429 R CA -0.756 55.178 56.100 -0.277 0.000 0.925 429 R CB 2.125 31.999 30.300 -0.710 0.000 1.205 429 R HN 0.599 nan 8.270 nan 0.000 0.436 430 N N 1.576 120.245 118.700 -0.052 0.000 2.357 430 N HA 0.363 5.103 4.740 -0.000 0.000 0.284 430 N C -1.291 174.053 175.510 -0.277 0.000 1.236 430 N CA -0.864 52.067 53.050 -0.198 0.000 0.774 430 N CB 2.578 40.809 38.487 -0.427 0.000 1.534 430 N HN 0.226 nan 8.380 nan 0.000 0.478 431 L N 1.961 122.882 121.223 -0.503 0.000 2.292 431 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 431 L C -1.330 175.129 176.870 -0.684 0.000 1.065 431 L CA 0.066 54.637 54.840 -0.448 0.000 0.806 431 L CB -0.159 41.626 42.059 -0.456 0.000 1.175 431 L HN 0.409 nan 8.230 nan 0.000 0.431 432 Y N 3.455 123.393 120.300 -0.603 0.000 2.602 432 Y HA 0.607 5.157 4.550 -0.000 0.000 0.342 432 Y C -0.305 175.269 175.900 -0.543 0.000 1.029 432 Y CA -0.968 56.737 58.100 -0.659 0.000 1.080 432 Y CB 1.529 39.430 38.460 -0.933 0.000 1.284 432 Y HN 0.453 nan 8.280 nan 0.000 0.485 433 K N 2.281 122.529 120.400 -0.254 0.000 2.471 433 K HA 0.642 4.962 4.320 -0.000 0.000 0.252 433 K C -1.939 174.566 176.600 -0.159 0.000 0.938 433 K CA -0.346 55.709 56.287 -0.386 0.000 0.796 433 K CB 1.084 33.285 32.500 -0.498 0.000 1.161 433 K HN 0.725 nan 8.250 nan 0.000 0.425 434 I N 3.653 124.170 120.570 -0.088 0.000 2.378 434 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 434 I C -0.028 176.153 176.117 0.106 0.000 0.992 434 I CA -0.930 60.410 61.300 0.066 0.000 1.154 434 I CB 1.976 40.052 38.000 0.126 0.000 1.315 434 I HN 0.437 nan 8.210 nan 0.000 0.448 435 Q N 5.547 125.439 119.800 0.153 0.000 2.293 435 Q HA 0.243 4.583 4.340 -0.000 0.000 0.263 435 Q C 0.729 176.751 176.000 0.037 0.000 1.002 435 Q CA -0.190 55.685 55.803 0.120 0.000 0.910 435 Q CB 1.506 30.296 28.738 0.087 0.000 1.185 435 Q HN 0.677 nan 8.270 nan 0.000 0.401 436 L N 1.494 122.692 121.223 -0.041 0.000 2.456 436 L HA -0.147 4.193 4.340 -0.000 0.000 0.224 436 L C 2.224 179.010 176.870 -0.140 0.000 1.148 436 L CA 0.900 55.745 54.840 0.008 0.000 0.825 436 L CB -0.349 41.689 42.059 -0.034 0.000 0.937 436 L HN 0.628 nan 8.230 nan 0.000 0.450 437 S N -1.881 113.720 115.700 -0.164 0.000 2.561 437 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 437 S C 0.464 174.916 174.600 -0.246 0.000 0.977 437 S CA 0.275 58.359 58.200 -0.194 0.000 0.926 437 S CB -0.008 63.109 63.200 -0.138 0.000 0.769 437 S HN 0.440 nan 8.310 nan 0.000 0.533 438 D N -0.485 119.762 120.400 -0.254 0.000 2.266 438 D HA 0.134 4.774 4.640 -0.000 0.000 0.218 438 D C -0.499 175.746 176.300 -0.092 0.000 1.311 438 D CA -0.514 53.347 54.000 -0.232 0.000 0.918 438 D CB -0.270 40.462 40.800 -0.112 0.000 1.530 438 D HN -0.033 nan 8.370 nan 0.000 0.514 439 Y N 1.107 121.395 120.300 -0.020 0.000 2.556 439 Y HA -0.086 4.464 4.550 -0.000 0.000 0.290 439 Y C 2.500 178.412 175.900 0.020 0.000 1.149 439 Y CA 1.563 59.661 58.100 -0.002 0.000 1.329 439 Y CB -0.805 37.651 38.460 -0.008 0.000 0.975 439 Y HN 0.464 nan 8.280 nan 0.000 0.561 440 T N -3.188 111.440 114.554 0.123 0.000 3.081 440 T HA 0.051 4.401 4.350 -0.000 0.000 0.255 440 T C 0.662 175.410 174.700 0.079 0.000 1.113 440 T CA -0.113 62.042 62.100 0.093 0.000 1.082 440 T CB -0.094 68.804 68.868 0.050 0.000 0.939 440 T HN 0.073 nan 8.240 nan 0.000 0.506 441 K N 2.185 122.628 120.400 0.072 0.000 2.219 441 K HA 0.492 4.812 4.320 -0.000 0.000 0.280 441 K C -1.316 175.332 176.600 0.079 0.000 1.104 441 K CA -0.300 56.023 56.287 0.060 0.000 0.925 441 K CB 1.092 33.618 32.500 0.043 0.000 1.261 441 K HN 0.134 nan 8.250 nan 0.000 0.445 442 V N 2.367 122.329 119.914 0.079 0.000 2.525 442 V HA 0.230 4.350 4.120 -0.000 0.000 0.299 442 V C -0.172 175.961 176.094 0.066 0.000 1.034 442 V CA -0.861 61.495 62.300 0.093 0.000 0.863 442 V CB 1.987 33.899 31.823 0.149 0.000 0.999 442 V HN 0.582 nan 8.190 nan 0.000 0.423 443 T N 3.324 117.884 114.554 0.011 0.000 2.823 443 T HA 0.288 4.637 4.350 -0.000 0.000 0.279 443 T C -0.357 174.273 174.700 -0.116 0.000 0.998 443 T CA -0.214 61.856 62.100 -0.049 0.000 0.994 443 T CB 1.358 70.160 68.868 -0.111 0.000 0.960 443 T HN 0.816 nan 8.240 nan 0.000 0.448 444 C N 5.436 124.602 119.300 -0.222 0.000 2.394 444 C HA 0.424 4.883 4.460 -0.000 0.000 0.362 444 C C 1.653 176.320 174.990 -0.539 0.000 1.268 444 C CA -0.560 58.063 59.018 -0.658 0.000 1.828 444 C CB -1.836 25.454 27.740 -0.750 0.000 2.442 444 C HN 0.962 nan 8.230 nan 0.000 0.549 445 L N 4.612 125.486 121.223 -0.582 0.000 2.446 445 L HA 0.081 4.421 4.340 -0.000 0.000 0.219 445 L C 2.152 178.713 176.870 -0.515 0.000 1.116 445 L CA 0.945 55.523 54.840 -0.436 0.000 0.844 445 L CB -0.213 41.631 42.059 -0.357 0.000 0.970 445 L HN 0.890 nan 8.230 nan 0.000 0.457 446 S N -3.084 112.197 115.700 -0.698 0.000 2.589 446 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 446 S C 1.838 176.048 174.600 -0.650 0.000 1.051 446 S CA -0.110 57.585 58.200 -0.841 0.000 0.978 446 S CB -0.288 62.028 63.200 -1.474 0.000 0.929 446 S HN 0.294 nan 8.310 nan 0.000 0.523 447 C N 2.599 121.489 119.300 -0.682 0.000 2.391 447 C HA -0.000 4.460 4.460 -0.000 0.000 0.276 447 C C 2.099 176.814 174.990 -0.458 0.000 1.217 447 C CA 1.025 59.577 59.018 -0.777 0.000 1.766 447 C CB -0.878 26.099 27.740 -1.271 0.000 2.046 447 C HN 0.596 nan 8.230 nan 0.000 0.475 448 E N 0.131 120.138 120.200 -0.322 0.000 2.499 448 E HA 0.211 4.561 4.350 -0.000 0.000 0.199 448 E C 1.652 178.200 176.600 -0.088 0.000 1.016 448 E CA -0.059 56.253 56.400 -0.147 0.000 0.933 448 E CB -0.136 29.498 29.700 -0.110 0.000 1.050 448 E HN 0.651 nan 8.360 nan 0.000 0.462 449 L N 0.335 121.501 121.223 -0.095 0.000 2.093 449 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 449 L C 0.670 177.550 176.870 0.017 0.000 1.085 449 L CA 0.920 55.740 54.840 -0.034 0.000 0.755 449 L CB 0.124 42.168 42.059 -0.024 0.000 0.904 449 L HN 0.020 nan 8.230 nan 0.000 0.435 450 N N -1.684 117.040 118.700 0.041 0.000 2.926 450 N HA 0.085 4.825 4.740 -0.000 0.000 0.201 450 N C -2.196 173.339 175.510 0.042 0.000 1.419 450 N CA -0.391 52.682 53.050 0.037 0.000 0.838 450 N CB 1.000 39.512 38.487 0.042 0.000 1.534 450 N HN -0.126 nan 8.380 nan 0.000 0.569 451 P HA -0.022 nan 4.420 nan 0.000 0.222 451 P C 0.840 178.180 177.300 0.067 0.000 1.147 451 P CA 1.223 64.366 63.100 0.072 0.000 0.790 451 P CB 0.716 32.471 31.700 0.091 0.000 0.780 452 E N -1.104 119.119 120.200 0.038 0.000 2.250 452 E HA 0.029 4.378 4.350 -0.000 0.000 0.192 452 E C 2.191 178.794 176.600 0.005 0.000 0.986 452 E CA 0.301 56.718 56.400 0.027 0.000 0.849 452 E CB -0.121 29.589 29.700 0.017 0.000 0.797 452 E HN 0.071 nan 8.360 nan 0.000 0.482 453 R N -0.749 119.743 120.500 -0.013 0.000 2.189 453 R HA 0.176 4.516 4.340 -0.000 0.000 0.203 453 R C -0.397 175.854 176.300 -0.082 0.000 1.012 453 R CA 0.503 56.573 56.100 -0.050 0.000 1.015 453 R CB 0.470 30.733 30.300 -0.063 0.000 0.938 453 R HN 0.087 nan 8.270 nan 0.000 0.472 454 c N 0.729 119.288 118.600 -0.070 0.000 2.383 454 c HA 0.414 4.984 4.570 -0.000 0.000 0.330 454 c C 0.033 174.061 174.090 -0.102 0.000 1.168 454 c CA -0.661 55.555 56.329 -0.189 0.000 1.374 454 c CB 1.445 43.806 42.510 -0.249 0.000 2.014 454 c HN 0.514 nan 8.230 nan 0.000 0.439 455 Q N 0.407 120.143 119.800 -0.108 0.000 2.113 455 Q HA 0.191 4.531 4.340 -0.000 0.000 0.225 455 Q C -0.914 175.116 176.000 0.051 0.000 0.786 455 Q CA 0.116 55.944 55.803 0.040 0.000 0.989 455 Q CB 1.323 30.116 28.738 0.092 0.000 1.174 455 Q HN 0.795 nan 8.270 nan 0.000 0.470 456 Y N 0.530 120.689 120.300 -0.236 0.000 2.488 456 Y HA 0.366 4.916 4.550 -0.000 0.000 0.330 456 Y C -1.585 174.155 175.900 -0.267 0.000 1.013 456 Y CA -0.952 57.047 58.100 -0.168 0.000 1.304 456 Y CB 0.637 39.019 38.460 -0.131 0.000 1.098 456 Y HN -0.075 nan 8.280 nan 0.000 0.498 457 Y N 2.240 122.450 120.300 -0.151 0.000 2.446 457 Y HA 0.614 5.164 4.550 -0.000 0.000 0.338 457 Y C 0.389 176.208 175.900 -0.135 0.000 1.055 457 Y CA -0.505 57.522 58.100 -0.123 0.000 1.101 457 Y CB 2.076 40.437 38.460 -0.165 0.000 1.221 457 Y HN 0.514 nan 8.280 nan 0.000 0.460 458 S N 1.119 116.882 115.700 0.105 0.000 2.709 458 S HA 0.896 5.366 4.470 -0.000 0.000 0.302 458 S C -1.366 173.279 174.600 0.075 0.000 1.127 458 S CA -0.741 57.507 58.200 0.079 0.000 0.905 458 S CB 1.920 65.180 63.200 0.101 0.000 1.151 458 S HN 0.621 nan 8.310 nan 0.000 0.510 459 V N -0.026 119.925 119.914 0.061 0.000 3.188 459 V HA 0.871 4.991 4.120 -0.000 0.000 0.305 459 V C -1.472 174.661 176.094 0.064 0.000 1.232 459 V CA -0.129 62.169 62.300 -0.004 0.000 1.043 459 V CB 2.257 33.967 31.823 -0.188 0.000 1.068 459 V HN 1.308 nan 8.190 nan 0.000 0.439 460 S N 3.794 119.527 115.700 0.054 0.000 2.776 460 S HA 0.658 5.128 4.470 -0.000 0.000 0.284 460 S C -1.401 173.349 174.600 0.249 0.000 1.160 460 S CA -0.368 57.981 58.200 0.248 0.000 1.051 460 S CB 0.562 63.968 63.200 0.343 0.000 1.037 460 S HN 0.520 nan 8.310 nan 0.000 0.485 461 F N 3.470 123.488 119.950 0.113 0.000 2.385 461 F HA 0.457 4.984 4.527 -0.000 0.000 0.336 461 F C 1.494 176.864 175.800 -0.716 0.000 1.100 461 F CA -0.164 57.724 58.000 -0.187 0.000 1.116 461 F CB 1.634 40.516 39.000 -0.198 0.000 1.166 461 F HN 0.710 nan 8.300 nan 0.000 0.511 462 S N 2.424 117.392 115.700 -1.219 0.000 2.650 462 S HA 0.207 4.677 4.470 -0.000 0.000 0.251 462 S C -0.070 174.325 174.600 -0.341 0.000 1.325 462 S CA -0.860 56.504 58.200 -1.394 0.000 0.967 462 S CB 0.230 62.679 63.200 -1.251 0.000 1.000 462 S HN 0.552 nan 8.310 nan 0.000 0.584 463 K N 1.154 121.494 120.400 -0.100 0.000 2.382 463 K HA 0.100 4.420 4.320 -0.000 0.000 0.275 463 K C 0.295 176.906 176.600 0.019 0.000 1.009 463 K CA 0.381 56.685 56.287 0.028 0.000 0.970 463 K CB 0.037 32.597 32.500 0.101 0.000 0.934 463 K HN 0.751 nan 8.250 nan 0.000 0.479 464 E N 0.775 120.994 120.200 0.032 0.000 3.370 464 E HA -0.317 4.033 4.350 -0.000 0.000 0.291 464 E C -0.180 176.419 176.600 -0.002 0.000 0.916 464 E CA 0.425 56.844 56.400 0.031 0.000 0.981 464 E CB -1.444 28.287 29.700 0.051 0.000 1.498 464 E HN 0.888 nan 8.360 nan 0.000 0.452 465 A N -0.265 122.530 122.820 -0.041 0.000 2.783 465 A HA -0.360 3.960 4.320 -0.000 0.000 0.292 465 A C 1.211 178.793 177.584 -0.005 0.000 1.495 465 A CA 1.964 53.969 52.037 -0.053 0.000 0.787 465 A CB -1.531 17.298 19.000 -0.284 0.000 1.017 465 A HN 0.385 nan 8.150 nan 0.000 0.516 466 K N -1.991 118.376 120.400 -0.054 0.000 2.155 466 K HA 0.091 4.411 4.320 -0.000 0.000 0.203 466 K C 0.018 176.322 176.600 -0.494 0.000 1.052 466 K CA 1.510 57.661 56.287 -0.226 0.000 0.948 466 K CB 0.025 32.430 32.500 -0.158 0.000 0.728 466 K HN 0.731 nan 8.250 nan 0.000 0.448 467 Y N -1.395 118.862 120.300 -0.072 0.000 2.615 467 Y HA 0.294 4.844 4.550 -0.000 0.000 0.341 467 Y C -0.992 174.844 175.900 -0.106 0.000 1.089 467 Y CA -1.490 56.560 58.100 -0.084 0.000 1.049 467 Y CB 1.578 40.012 38.460 -0.044 0.000 1.296 467 Y HN -0.063 nan 8.280 nan 0.000 0.470 468 Y N -1.128 119.191 120.300 0.032 0.000 2.544 468 Y HA 0.543 5.093 4.550 -0.000 0.000 0.342 468 Y C -1.237 174.716 175.900 0.088 0.000 1.062 468 Y CA -1.429 56.552 58.100 -0.197 0.000 1.023 468 Y CB 1.554 39.412 38.460 -1.002 0.000 1.308 468 Y HN 0.600 nan 8.280 nan 0.000 0.457 469 Q N 3.646 123.612 119.800 0.276 0.000 2.278 469 Q HA 0.551 4.891 4.340 -0.000 0.000 0.257 469 Q C -1.668 174.427 176.000 0.159 0.000 0.928 469 Q CA -0.667 55.234 55.803 0.163 0.000 0.932 469 Q CB 1.229 30.016 28.738 0.080 0.000 1.221 469 Q HN 0.948 nan 8.270 nan 0.000 0.434 470 L N 3.872 125.210 121.223 0.191 0.000 2.325 470 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 470 L C -0.109 176.825 176.870 0.107 0.000 1.054 470 L CA -0.546 54.395 54.840 0.170 0.000 0.804 470 L CB 1.505 43.680 42.059 0.193 0.000 1.200 470 L HN 0.587 nan 8.230 nan 0.000 0.436 471 R N 2.873 123.408 120.500 0.058 0.000 2.412 471 R HA 0.339 4.679 4.340 -0.000 0.000 0.304 471 R C -1.047 175.110 176.300 -0.237 0.000 1.066 471 R CA -0.493 55.468 56.100 -0.232 0.000 0.923 471 R CB 1.228 31.412 30.300 -0.194 0.000 1.156 471 R HN 0.747 nan 8.270 nan 0.000 0.513 472 c N 3.121 121.472 118.600 -0.415 0.000 2.415 472 c HA 0.433 5.003 4.570 -0.000 0.000 0.369 472 c C 0.743 174.600 174.090 -0.388 0.000 1.279 472 c CA -0.241 55.730 56.329 -0.598 0.000 1.886 472 c CB 0.872 42.998 42.510 -0.639 0.000 2.468 472 c HN 0.964 nan 8.230 nan 0.000 0.553 473 S N 2.920 118.483 115.700 -0.228 0.000 2.539 473 S HA 0.540 5.010 4.470 -0.000 0.000 0.221 473 S C 0.520 175.069 174.600 -0.085 0.000 0.987 473 S CA 0.463 58.591 58.200 -0.120 0.000 0.929 473 S CB 0.124 63.296 63.200 -0.047 0.000 0.832 473 S HN 1.430 nan 8.310 nan 0.000 0.492 474 G N 1.669 110.402 108.800 -0.111 0.000 2.341 474 G HA2 0.187 4.147 3.960 -0.000 0.000 0.293 474 G HA3 0.187 4.147 3.960 -0.000 0.000 0.293 474 G C -2.965 171.900 174.900 -0.057 0.000 1.298 474 G CA -0.621 44.451 45.100 -0.046 0.000 0.868 474 G HN -0.181 nan 8.290 nan 0.000 0.540 475 P HA 0.128 nan 4.420 nan 0.000 0.233 475 P C 1.291 178.622 177.300 0.052 0.000 1.167 475 P CA 1.402 64.527 63.100 0.041 0.000 0.770 475 P CB 0.276 31.998 31.700 0.036 0.000 0.837 476 G N 0.369 109.127 108.800 -0.070 0.000 2.510 476 G HA2 0.403 4.363 3.960 -0.000 0.000 0.280 476 G HA3 0.403 4.363 3.960 -0.000 0.000 0.280 476 G C -0.231 174.411 174.900 -0.429 0.000 1.386 476 G CA -0.759 44.225 45.100 -0.193 0.000 1.047 476 G HN 0.022 nan 8.290 nan 0.000 0.527 477 L N 1.186 122.078 121.223 -0.552 0.000 2.490 477 L HA 0.142 4.482 4.340 -0.000 0.000 0.274 477 L C -1.883 174.802 176.870 -0.308 0.000 1.201 477 L CA -1.236 53.239 54.840 -0.607 0.000 0.869 477 L CB 0.373 42.181 42.059 -0.417 0.000 1.123 477 L HN 0.228 nan 8.230 nan 0.000 0.484 478 P HA -0.004 nan 4.420 nan 0.000 0.264 478 P C -0.764 176.477 177.300 -0.099 0.000 1.179 478 P CA 0.376 63.388 63.100 -0.147 0.000 0.763 478 P CB 0.491 32.201 31.700 0.016 0.000 0.806 479 L N 4.051 125.143 121.223 -0.219 0.000 2.439 479 L HA 0.425 4.765 4.340 -0.000 0.000 0.270 479 L C -1.388 175.380 176.870 -0.169 0.000 0.972 479 L CA -0.809 53.973 54.840 -0.096 0.000 0.836 479 L CB 1.074 43.074 42.059 -0.097 0.000 1.255 479 L HN 0.330 nan 8.230 nan 0.000 0.404 480 Y N 2.094 122.355 120.300 -0.066 0.000 2.335 480 Y HA 0.593 5.143 4.550 -0.000 0.000 0.338 480 Y C 0.576 176.374 175.900 -0.170 0.000 0.977 480 Y CA -0.676 57.369 58.100 -0.092 0.000 1.114 480 Y CB 2.171 40.562 38.460 -0.116 0.000 1.182 480 Y HN 0.514 nan 8.280 nan 0.000 0.463 481 T N 0.617 115.171 114.554 0.000 0.000 2.901 481 T HA 0.748 5.098 4.350 -0.000 0.000 0.293 481 T C -1.461 173.133 174.700 -0.176 0.000 1.084 481 T CA -0.889 61.137 62.100 -0.124 0.000 1.008 481 T CB 2.058 70.898 68.868 -0.046 0.000 1.170 481 T HN 0.371 nan 8.240 nan 0.000 0.509 482 L N 0.999 122.001 121.223 -0.369 0.000 2.342 482 L HA 0.752 5.092 4.340 -0.000 0.000 0.271 482 L C -1.221 175.293 176.870 -0.594 0.000 1.008 482 L CA -0.317 54.341 54.840 -0.303 0.000 0.818 482 L CB 1.580 43.522 42.059 -0.195 0.000 1.296 482 L HN 0.930 nan 8.230 nan 0.000 0.427 483 H N 0.392 119.286 119.070 -0.294 0.000 2.930 483 H HA 0.549 5.105 4.556 -0.000 0.000 0.371 483 H C -1.100 174.028 175.328 -0.332 0.000 1.169 483 H CA -0.600 55.162 56.048 -0.477 0.000 1.157 483 H CB 2.026 31.108 29.762 -1.133 0.000 1.789 483 H HN 0.505 nan 8.280 nan 0.000 0.547 484 S N 0.736 116.392 115.700 -0.073 0.000 2.462 484 S HA 0.221 4.691 4.470 -0.000 0.000 0.294 484 S C 0.620 175.152 174.600 -0.114 0.000 1.144 484 S CA -0.518 57.628 58.200 -0.091 0.000 1.088 484 S CB 1.149 64.340 63.200 -0.016 0.000 1.009 484 S HN 0.640 nan 8.310 nan 0.000 0.484 485 S N 3.238 118.862 115.700 -0.126 0.000 2.406 485 S HA -0.066 4.404 4.470 -0.000 0.000 0.228 485 S C 1.942 176.555 174.600 0.021 0.000 1.020 485 S CA 1.148 59.393 58.200 0.075 0.000 0.965 485 S CB -0.363 62.896 63.200 0.099 0.000 0.798 485 S HN 0.694 nan 8.310 nan 0.000 0.488 486 V N 1.939 121.822 119.914 -0.050 0.000 2.252 486 V HA -0.198 3.921 4.120 -0.000 0.000 0.249 486 V C 1.066 177.161 176.094 0.003 0.000 1.056 486 V CA 1.907 64.201 62.300 -0.010 0.000 1.022 486 V CB -0.745 31.062 31.823 -0.025 0.000 0.641 486 V HN 0.454 nan 8.190 nan 0.000 0.445 487 N N -1.256 117.440 118.700 -0.006 0.000 2.282 487 N HA 0.165 4.905 4.740 -0.000 0.000 0.240 487 N C -0.582 174.930 175.510 0.003 0.000 1.182 487 N CA -0.032 53.016 53.050 -0.003 0.000 0.874 487 N CB 0.387 38.874 38.487 0.000 0.000 1.126 487 N HN 0.337 nan 8.380 nan 0.000 0.516 488 D N 1.045 121.460 120.400 0.025 0.000 2.686 488 D HA -0.215 4.425 4.640 -0.000 0.000 0.235 488 D C -0.067 176.258 176.300 0.042 0.000 1.160 488 D CA 1.076 55.113 54.000 0.062 0.000 0.645 488 D CB -0.442 40.394 40.800 0.061 0.000 1.039 488 D HN 0.451 nan 8.370 nan 0.000 0.423 489 K N 0.350 120.765 120.400 0.026 0.000 2.144 489 K HA 0.419 4.739 4.320 -0.000 0.000 0.270 489 K C 0.706 177.336 176.600 0.050 0.000 1.005 489 K CA -0.239 56.066 56.287 0.029 0.000 0.932 489 K CB 0.951 33.454 32.500 0.005 0.000 1.021 489 K HN 0.077 nan 8.250 nan 0.000 0.462 490 G N 3.598 112.421 108.800 0.039 0.000 2.343 490 G HA2 0.136 4.096 3.960 -0.000 0.000 0.254 490 G HA3 0.136 4.096 3.960 -0.000 0.000 0.254 490 G C 0.537 175.332 174.900 -0.176 0.000 1.277 490 G CA -0.359 44.661 45.100 -0.132 0.000 0.909 490 G HN 0.682 nan 8.290 nan 0.000 0.502 491 L N 1.511 122.568 121.223 -0.276 0.000 2.130 491 L HA 0.334 4.673 4.340 -0.000 0.000 0.200 491 L C 1.855 178.637 176.870 -0.146 0.000 1.075 491 L CA 0.783 55.529 54.840 -0.155 0.000 0.768 491 L CB 0.004 41.987 42.059 -0.127 0.000 0.933 491 L HN 0.522 nan 8.230 nan 0.000 0.451 492 R N -2.540 117.834 120.500 -0.211 0.000 3.317 492 R HA 0.596 4.935 4.340 -0.000 0.000 0.259 492 R C -1.693 174.487 176.300 -0.201 0.000 1.143 492 R CA -0.710 55.290 56.100 -0.166 0.000 0.969 492 R CB 1.981 32.188 30.300 -0.155 0.000 1.465 492 R HN -0.345 nan 8.270 nan 0.000 0.430 493 V N 1.903 121.712 119.914 -0.174 0.000 2.668 493 V HA 0.282 4.402 4.120 -0.000 0.000 0.304 493 V C 0.202 176.158 176.094 -0.229 0.000 1.071 493 V CA -0.487 61.713 62.300 -0.167 0.000 0.894 493 V CB 1.899 33.662 31.823 -0.100 0.000 1.008 493 V HN 0.592 nan 8.190 nan 0.000 0.425 494 L N 2.182 123.203 121.223 -0.336 0.000 2.221 494 L HA 0.391 4.730 4.340 -0.000 0.000 0.202 494 L C 0.607 177.248 176.870 -0.383 0.000 1.074 494 L CA 0.689 55.156 54.840 -0.621 0.000 0.795 494 L CB 0.338 41.615 42.059 -1.302 0.000 0.960 494 L HN 0.697 nan 8.230 nan 0.000 0.458 495 E N -0.058 120.040 120.200 -0.170 0.000 2.343 495 E HA 0.114 4.464 4.350 -0.000 0.000 0.286 495 E C -1.243 175.397 176.600 0.067 0.000 0.915 495 E CA -0.396 55.992 56.400 -0.020 0.000 0.784 495 E CB 1.259 30.948 29.700 -0.018 0.000 1.251 495 E HN 0.155 nan 8.360 nan 0.000 0.407 496 D N 3.072 123.494 120.400 0.037 0.000 2.503 496 D HA 0.154 4.794 4.640 -0.000 0.000 0.218 496 D C -0.274 176.037 176.300 0.018 0.000 1.183 496 D CA -0.253 53.763 54.000 0.027 0.000 0.827 496 D CB -0.051 40.746 40.800 -0.005 0.000 1.034 496 D HN 0.454 nan 8.370 nan 0.000 0.510 497 N N 0.468 119.190 118.700 0.038 0.000 2.725 497 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 497 N C 0.989 176.502 175.510 0.006 0.000 1.103 497 N CA 0.945 54.011 53.050 0.027 0.000 0.707 497 N CB -1.332 37.163 38.487 0.013 0.000 1.043 497 N HN 0.492 nan 8.380 nan 0.000 0.553 498 S N -1.152 114.553 115.700 0.008 0.000 2.400 498 S HA -0.080 4.389 4.470 -0.000 0.000 0.232 498 S C 2.097 176.709 174.600 0.021 0.000 1.025 498 S CA 1.060 59.263 58.200 0.006 0.000 0.993 498 S CB -0.167 63.037 63.200 0.006 0.000 0.808 498 S HN 0.517 nan 8.310 nan 0.000 0.478 499 A N 2.180 125.020 122.820 0.034 0.000 1.877 499 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 499 A C 2.260 179.885 177.584 0.068 0.000 1.186 499 A CA 1.394 53.461 52.037 0.050 0.000 0.620 499 A CB -0.914 18.119 19.000 0.056 0.000 0.822 499 A HN 0.516 nan 8.150 nan 0.000 0.443 500 L N -0.441 120.824 121.223 0.069 0.000 2.046 500 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 500 L C 2.323 179.223 176.870 0.050 0.000 1.077 500 L CA 2.511 57.408 54.840 0.094 0.000 0.747 500 L CB -0.542 41.565 42.059 0.081 0.000 0.896 500 L HN 0.492 nan 8.230 nan 0.000 0.432 501 D N 0.085 120.489 120.400 0.007 0.000 2.116 501 D HA -0.250 4.389 4.640 -0.000 0.000 0.193 501 D C 2.159 178.461 176.300 0.003 0.000 0.998 501 D CA 1.652 55.641 54.000 -0.019 0.000 0.836 501 D CB 0.120 40.902 40.800 -0.030 0.000 0.951 501 D HN 0.190 nan 8.370 nan 0.000 0.449 502 K N -0.717 119.698 120.400 0.025 0.000 2.026 502 K HA -0.084 4.236 4.320 -0.000 0.000 0.208 502 K C 2.400 179.034 176.600 0.055 0.000 1.048 502 K CA 1.130 57.438 56.287 0.036 0.000 0.929 502 K CB -0.153 32.371 32.500 0.040 0.000 0.713 502 K HN 0.242 nan 8.250 nan 0.000 0.439 503 M N 0.632 120.288 119.600 0.094 0.000 2.149 503 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 503 M C 2.083 178.405 176.300 0.037 0.000 1.064 503 M CA 1.548 56.941 55.300 0.156 0.000 1.102 503 M CB -0.273 32.523 32.600 0.328 0.000 1.369 503 M HN 0.156 nan 8.290 nan 0.000 0.408 504 L N -0.531 120.667 121.223 -0.042 0.000 2.217 504 L HA -0.192 4.148 4.340 -0.000 0.000 0.211 504 L C 2.368 179.191 176.870 -0.078 0.000 1.107 504 L CA 0.985 55.738 54.840 -0.144 0.000 0.783 504 L CB -0.521 41.471 42.059 -0.111 0.000 0.919 504 L HN 0.371 nan 8.230 nan 0.000 0.442 505 Q N 0.029 119.812 119.800 -0.028 0.000 2.234 505 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 505 Q C 1.055 177.058 176.000 0.005 0.000 0.980 505 Q CA 1.054 56.852 55.803 -0.008 0.000 0.869 505 Q CB -0.080 28.662 28.738 0.005 0.000 0.912 505 Q HN 0.498 nan 8.270 nan 0.000 0.436 506 N N 0.118 118.827 118.700 0.014 0.000 2.362 506 N HA 0.034 4.774 4.740 -0.000 0.000 0.204 506 N C -0.379 175.151 175.510 0.034 0.000 1.166 506 N CA 0.179 53.252 53.050 0.039 0.000 0.831 506 N CB 0.865 39.396 38.487 0.073 0.000 1.008 506 N HN 0.033 nan 8.380 nan 0.000 0.472 507 V N 0.067 119.976 119.914 -0.009 0.000 3.007 507 V HA 0.246 4.366 4.120 -0.000 0.000 0.311 507 V C -1.016 175.071 176.094 -0.013 0.000 1.120 507 V CA -0.868 61.432 62.300 0.000 0.000 0.980 507 V CB 2.417 34.215 31.823 -0.043 0.000 1.033 507 V HN -0.004 nan 8.190 nan 0.000 0.429 508 Q N 5.731 125.535 119.800 0.007 0.000 2.664 508 Q HA 0.319 4.659 4.340 -0.000 0.000 0.223 508 Q C -0.441 175.519 176.000 -0.067 0.000 1.298 508 Q CA -0.298 55.474 55.803 -0.052 0.000 0.965 508 Q CB 0.472 29.183 28.738 -0.045 0.000 1.510 508 Q HN 0.593 nan 8.270 nan 0.000 0.567 509 M N 3.202 122.748 119.600 -0.089 0.000 2.243 509 M HA 0.264 4.744 4.480 -0.000 0.000 0.341 509 M C -1.982 174.239 176.300 -0.131 0.000 1.130 509 M CA -2.283 52.951 55.300 -0.111 0.000 1.162 509 M CB -0.266 32.274 32.600 -0.101 0.000 1.497 509 M HN 0.259 nan 8.290 nan 0.000 0.456 510 P HA 0.269 nan 4.420 nan 0.000 0.276 510 P C -0.704 176.504 177.300 -0.153 0.000 1.261 510 P CA -0.420 62.583 63.100 -0.163 0.000 0.800 510 P CB 0.521 32.111 31.700 -0.183 0.000 1.066 511 S N -0.854 114.747 115.700 -0.166 0.000 2.726 511 S HA 0.658 5.128 4.470 -0.000 0.000 0.308 511 S C -0.646 173.854 174.600 -0.167 0.000 1.115 511 S CA -0.759 57.357 58.200 -0.139 0.000 0.965 511 S CB 1.662 64.786 63.200 -0.127 0.000 1.145 511 S HN 0.461 nan 8.310 nan 0.000 0.532 512 K N 0.440 120.766 120.400 -0.125 0.000 2.426 512 K HA 0.411 4.731 4.320 -0.000 0.000 0.254 512 K C -1.397 175.147 176.600 -0.092 0.000 0.936 512 K CA -0.525 55.694 56.287 -0.113 0.000 0.801 512 K CB 1.444 33.895 32.500 -0.081 0.000 1.139 512 K HN 0.667 nan 8.250 nan 0.000 0.424 513 K N 5.321 125.661 120.400 -0.100 0.000 2.244 513 K HA 0.385 4.705 4.320 -0.000 0.000 0.260 513 K C -1.420 175.142 176.600 -0.064 0.000 0.951 513 K CA -0.690 55.551 56.287 -0.076 0.000 0.826 513 K CB 1.116 33.564 32.500 -0.088 0.000 1.108 513 K HN 0.593 nan 8.250 nan 0.000 0.433 514 L N 4.215 125.410 121.223 -0.047 0.000 2.343 514 L HA 0.418 4.757 4.340 -0.000 0.000 0.278 514 L C -1.187 175.687 176.870 0.007 0.000 0.996 514 L CA -0.202 54.640 54.840 0.003 0.000 0.831 514 L CB 1.405 43.523 42.059 0.099 0.000 1.232 514 L HN 0.824 nan 8.230 nan 0.000 0.413 515 D N 2.841 123.119 120.400 -0.204 0.000 2.851 515 D HA 0.486 5.126 4.640 -0.000 0.000 0.339 515 D C -1.617 174.375 176.300 -0.514 0.000 1.347 515 D CA 0.025 53.800 54.000 -0.375 0.000 0.888 515 D CB 1.930 42.451 40.800 -0.465 0.000 1.431 515 D HN 0.199 nan 8.370 nan 0.000 0.509 516 F N -0.242 119.431 119.950 -0.461 0.000 2.626 516 F HA 0.735 5.262 4.527 -0.000 0.000 0.311 516 F C -0.773 175.096 175.800 0.115 0.000 1.088 516 F CA -1.041 56.770 58.000 -0.315 0.000 0.949 516 F CB 0.791 39.141 39.000 -1.084 0.000 1.322 516 F HN 0.312 nan 8.300 nan 0.000 0.461 517 I N 0.153 121.022 120.570 0.500 0.000 3.067 517 I HA 0.676 4.846 4.170 -0.000 0.000 0.312 517 I C -1.171 175.178 176.117 0.386 0.000 1.073 517 I CA -1.317 60.197 61.300 0.356 0.000 1.016 517 I CB 2.285 40.420 38.000 0.224 0.000 1.227 517 I HN 0.433 nan 8.210 nan 0.000 0.456 518 I N 3.517 124.246 120.570 0.266 0.000 2.377 518 I HA 0.455 4.625 4.170 -0.000 0.000 0.293 518 I C -0.842 175.411 176.117 0.227 0.000 0.987 518 I CA -0.549 60.889 61.300 0.230 0.000 1.185 518 I CB 1.460 39.551 38.000 0.151 0.000 1.341 518 I HN 0.392 nan 8.210 nan 0.000 0.455 519 L N 6.504 127.923 121.223 0.326 0.000 2.372 519 L HA 0.437 4.777 4.340 -0.000 0.000 0.273 519 L C -0.061 176.940 176.870 0.218 0.000 0.989 519 L CA -0.197 54.784 54.840 0.235 0.000 0.841 519 L CB 0.732 42.918 42.059 0.210 0.000 1.225 519 L HN 0.476 nan 8.230 nan 0.000 0.414 520 N N 3.501 122.267 118.700 0.110 0.000 2.696 520 N HA -0.228 4.512 4.740 -0.000 0.000 0.256 520 N C 0.659 176.216 175.510 0.078 0.000 1.031 520 N CA 1.300 54.397 53.050 0.077 0.000 0.730 520 N CB -0.591 37.931 38.487 0.059 0.000 0.894 520 N HN 0.853 nan 8.380 nan 0.000 0.544 521 E N -3.575 116.664 120.200 0.064 0.000 4.071 521 E HA -0.239 4.111 4.350 -0.000 0.000 0.355 521 E C -0.555 176.055 176.600 0.017 0.000 0.653 521 E CA 1.665 58.086 56.400 0.036 0.000 1.298 521 E CB -0.889 28.823 29.700 0.020 0.000 1.712 521 E HN 0.548 nan 8.360 nan 0.000 0.416 522 T N 0.370 114.950 114.554 0.043 0.000 2.912 522 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 522 T C -0.298 174.306 174.700 -0.160 0.000 1.030 522 T CA -0.698 61.344 62.100 -0.096 0.000 1.020 522 T CB 1.805 70.564 68.868 -0.181 0.000 1.056 522 T HN -0.029 nan 8.240 nan 0.000 0.480 523 K N 1.621 121.819 120.400 -0.336 0.000 2.297 523 K HA 0.419 4.739 4.320 -0.000 0.000 0.286 523 K C -1.199 175.103 176.600 -0.496 0.000 1.053 523 K CA -0.023 56.050 56.287 -0.356 0.000 0.940 523 K CB 0.404 32.590 32.500 -0.525 0.000 1.019 523 K HN 0.394 nan 8.250 nan 0.000 0.475 524 F N 2.138 122.139 119.950 0.086 0.000 2.518 524 F HA 0.297 4.824 4.527 -0.000 0.000 0.323 524 F C -0.493 175.433 175.800 0.209 0.000 1.129 524 F CA -0.830 57.256 58.000 0.142 0.000 0.920 524 F CB 0.961 40.062 39.000 0.168 0.000 1.160 524 F HN 0.441 nan 8.300 nan 0.000 0.440 525 W N 3.687 125.158 121.300 0.285 0.000 2.237 525 W HA 0.494 5.154 4.660 -0.000 0.000 0.335 525 W C -0.509 176.241 176.519 0.386 0.000 1.230 525 W CA -0.386 57.146 57.345 0.313 0.000 1.253 525 W CB 0.541 30.106 29.460 0.174 0.000 1.129 525 W HN 0.458 nan 8.180 nan 0.000 0.590 526 Y N -0.703 119.952 120.300 0.592 0.000 2.644 526 Y HA 0.634 5.184 4.550 -0.000 0.000 0.338 526 Y C -1.028 175.110 175.900 0.397 0.000 1.119 526 Y CA -1.934 56.498 58.100 0.554 0.000 1.060 526 Y CB 1.022 39.962 38.460 0.801 0.000 1.294 526 Y HN 0.554 nan 8.280 nan 0.000 0.472 527 Q N 1.965 122.004 119.800 0.398 0.000 2.394 527 Q HA 0.767 5.107 4.340 -0.000 0.000 0.273 527 Q C -1.649 174.491 176.000 0.234 0.000 1.089 527 Q CA -1.162 54.754 55.803 0.188 0.000 0.812 527 Q CB 3.313 32.120 28.738 0.115 0.000 1.353 527 Q HN 0.820 nan 8.270 nan 0.000 0.438 528 M N 2.552 122.210 119.600 0.097 0.000 2.326 528 M HA 0.484 4.964 4.480 -0.000 0.000 0.306 528 M C -1.054 175.180 176.300 -0.109 0.000 1.054 528 M CA -0.683 54.604 55.300 -0.022 0.000 0.922 528 M CB 2.300 34.854 32.600 -0.077 0.000 1.632 528 M HN 0.601 nan 8.290 nan 0.000 0.436 529 I N 4.688 125.184 120.570 -0.124 0.000 2.301 529 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 529 I C -0.779 175.184 176.117 -0.256 0.000 1.046 529 I CA -0.371 60.826 61.300 -0.171 0.000 1.282 529 I CB 0.468 38.390 38.000 -0.130 0.000 1.409 529 I HN 0.516 nan 8.210 nan 0.000 0.484 530 L N 8.454 129.467 121.223 -0.350 0.000 2.322 530 L HA 0.540 4.880 4.340 -0.000 0.000 0.279 530 L C -2.298 174.362 176.870 -0.351 0.000 1.036 530 L CA -2.080 52.445 54.840 -0.525 0.000 0.807 530 L CB 0.803 42.298 42.059 -0.938 0.000 1.226 530 L HN 0.271 nan 8.230 nan 0.000 0.433 531 P HA 0.046 nan 4.420 nan 0.000 0.269 531 P C -2.478 174.769 177.300 -0.088 0.000 1.217 531 P CA -0.762 62.261 63.100 -0.128 0.000 0.783 531 P CB -0.333 31.359 31.700 -0.012 0.000 0.898 532 P HA 0.013 nan 4.420 nan 0.000 0.270 532 P C -0.408 176.822 177.300 -0.117 0.000 1.223 532 P CA 0.186 63.156 63.100 -0.217 0.000 0.785 532 P CB -0.193 31.302 31.700 -0.341 0.000 0.923 533 H N -2.598 116.511 119.070 0.065 0.000 2.713 533 H HA -0.227 4.328 4.556 -0.000 0.000 0.311 533 H C 0.125 175.522 175.328 0.114 0.000 1.175 533 H CA -0.334 55.757 56.048 0.071 0.000 1.143 533 H CB -2.208 27.587 29.762 0.055 0.000 1.434 533 H HN 0.295 nan 8.280 nan 0.000 0.418 534 F N 2.222 122.171 119.950 -0.002 0.000 2.629 534 F HA 0.124 4.651 4.527 -0.000 0.000 0.369 534 F C 0.560 176.366 175.800 0.009 0.000 1.125 534 F CA 0.160 58.112 58.000 -0.080 0.000 1.330 534 F CB 0.560 39.419 39.000 -0.235 0.000 1.071 534 F HN 0.321 nan 8.300 nan 0.000 0.595 535 D N 5.111 125.128 120.400 -0.638 0.000 2.602 535 D HA 0.135 4.775 4.640 -0.000 0.000 0.245 535 D C 0.123 176.041 176.300 -0.638 0.000 1.325 535 D CA -0.588 53.122 54.000 -0.484 0.000 0.952 535 D CB 1.046 41.761 40.800 -0.142 0.000 1.317 535 D HN 0.645 nan 8.370 nan 0.000 0.577 536 K N 1.275 121.266 120.400 -0.681 0.000 2.555 536 K HA -0.042 4.278 4.320 -0.000 0.000 0.193 536 K C 0.787 177.353 176.600 -0.058 0.000 1.032 536 K CA 0.680 56.737 56.287 -0.382 0.000 1.004 536 K CB -0.099 32.267 32.500 -0.224 0.000 0.804 536 K HN 0.192 nan 8.250 nan 0.000 0.496 537 S N -0.186 115.462 115.700 -0.088 0.000 2.593 537 S HA 0.129 4.599 4.470 -0.000 0.000 0.217 537 S C 0.198 174.772 174.600 -0.043 0.000 0.966 537 S CA -0.415 57.762 58.200 -0.037 0.000 0.914 537 S CB 0.026 63.196 63.200 -0.049 0.000 0.776 537 S HN 0.210 nan 8.310 nan 0.000 0.523 538 K N 1.096 121.460 120.400 -0.061 0.000 2.211 538 K HA 0.484 4.804 4.320 -0.000 0.000 0.237 538 K C -0.600 175.957 176.600 -0.071 0.000 1.002 538 K CA -0.734 55.467 56.287 -0.144 0.000 0.885 538 K CB 0.974 33.264 32.500 -0.350 0.000 1.136 538 K HN 0.024 nan 8.250 nan 0.000 0.448 539 K N 2.171 122.476 120.400 -0.159 0.000 2.339 539 K HA 0.271 4.591 4.320 -0.000 0.000 0.264 539 K C -1.171 175.329 176.600 -0.166 0.000 0.986 539 K CA -0.564 55.695 56.287 -0.046 0.000 0.866 539 K CB 0.964 33.433 32.500 -0.052 0.000 1.103 539 K HN 0.394 nan 8.250 nan 0.000 0.441 540 Y N 2.759 123.093 120.300 0.056 0.000 2.387 540 Y HA 0.252 4.802 4.550 -0.000 0.000 0.330 540 Y C -1.880 173.957 175.900 -0.105 0.000 1.133 540 Y CA -2.637 55.467 58.100 0.006 0.000 1.152 540 Y CB 0.528 39.053 38.460 0.109 0.000 1.215 540 Y HN 0.460 nan 8.280 nan 0.000 0.466 541 P HA 0.128 nan 4.420 nan 0.000 0.271 541 P C -1.038 176.099 177.300 -0.272 0.000 1.216 541 P CA -0.102 62.721 63.100 -0.462 0.000 0.776 541 P CB 1.449 32.529 31.700 -1.032 0.000 0.881 542 L N 3.727 124.836 121.223 -0.191 0.000 2.333 542 L HA 0.497 4.837 4.340 -0.000 0.000 0.280 542 L C -0.703 176.324 176.870 0.261 0.000 1.004 542 L CA -1.016 53.846 54.840 0.037 0.000 0.820 542 L CB 1.385 43.468 42.059 0.038 0.000 1.247 542 L HN 0.282 nan 8.230 nan 0.000 0.416 543 L N 5.931 127.331 121.223 0.294 0.000 2.287 543 L HA 0.449 4.789 4.340 -0.000 0.000 0.287 543 L C -1.190 175.889 176.870 0.348 0.000 1.022 543 L CA -0.857 54.219 54.840 0.394 0.000 0.814 543 L CB 1.608 43.875 42.059 0.346 0.000 1.217 543 L HN 0.638 nan 8.230 nan 0.000 0.420 544 L N 5.392 126.863 121.223 0.413 0.000 2.268 544 L HA 0.325 4.665 4.340 -0.000 0.000 0.289 544 L C -0.369 176.716 176.870 0.358 0.000 1.064 544 L CA 0.012 55.080 54.840 0.380 0.000 0.824 544 L CB 0.791 43.115 42.059 0.441 0.000 1.202 544 L HN 0.537 nan 8.230 nan 0.000 0.433 545 D N 4.467 125.049 120.400 0.303 0.000 2.339 545 D HA 0.229 4.869 4.640 -0.000 0.000 0.241 545 D C -0.912 175.442 176.300 0.090 0.000 1.183 545 D CA 0.053 54.131 54.000 0.130 0.000 0.859 545 D CB 1.287 42.235 40.800 0.247 0.000 1.067 545 D HN 0.314 nan 8.370 nan 0.000 0.484 546 V N 5.506 125.416 119.914 -0.006 0.000 2.628 546 V HA 0.482 4.602 4.120 -0.000 0.000 0.306 546 V C -0.991 175.189 176.094 0.144 0.000 1.045 546 V CA -0.415 61.951 62.300 0.111 0.000 0.905 546 V CB 1.637 33.529 31.823 0.115 0.000 0.997 546 V HN 0.659 nan 8.190 nan 0.000 0.436 547 Y N 5.328 125.695 120.300 0.112 0.000 3.127 547 Y HA 0.609 5.159 4.550 -0.000 0.000 0.196 547 Y C 1.505 177.544 175.900 0.231 0.000 0.920 547 Y CA 1.404 59.596 58.100 0.152 0.000 1.664 547 Y CB 0.057 38.589 38.460 0.120 0.000 1.399 547 Y HN 1.243 nan 8.280 nan 0.000 0.435 548 A N 0.690 123.595 122.820 0.142 0.000 2.945 548 A HA -0.115 4.204 4.320 -0.000 0.000 0.251 548 A C 0.887 178.288 177.584 -0.306 0.000 1.355 548 A CA 0.832 52.895 52.037 0.043 0.000 0.905 548 A CB -2.494 16.594 19.000 0.147 0.000 1.104 548 A HN 1.050 nan 8.150 nan 0.000 0.733 549 G N -0.654 107.696 108.800 -0.751 0.000 2.606 549 G HA2 0.479 4.439 3.960 -0.000 0.000 0.252 549 G HA3 0.479 4.439 3.960 -0.000 0.000 0.252 549 G C -2.120 172.493 174.900 -0.479 0.000 1.206 549 G CA -0.734 43.604 45.100 -1.271 0.000 0.861 549 G HN 0.296 nan 8.290 nan 0.000 0.561 550 P HA 0.102 nan 4.420 nan 0.000 0.261 550 P C 0.532 177.703 177.300 -0.216 0.000 1.183 550 P CA 0.098 62.928 63.100 -0.451 0.000 0.761 550 P CB 0.289 31.296 31.700 -1.155 0.000 0.785 551 C N 1.373 120.598 119.300 -0.124 0.000 5.102 551 C HA -0.166 4.294 4.460 -0.000 0.000 0.236 551 C C 1.236 176.210 174.990 -0.026 0.000 1.316 551 C CA 0.849 59.743 59.018 -0.206 0.000 1.394 551 C CB -3.079 24.326 27.740 -0.559 0.000 1.902 551 C HN 0.747 nan 8.230 nan 0.000 0.644 552 S N 0.273 116.069 115.700 0.161 0.000 2.614 552 S HA 0.556 5.026 4.470 -0.000 0.000 0.265 552 S C -0.666 174.106 174.600 0.287 0.000 1.303 552 S CA 0.046 58.433 58.200 0.313 0.000 1.000 552 S CB 1.748 65.225 63.200 0.462 0.000 0.935 552 S HN 0.712 nan 8.310 nan 0.000 0.551 553 Q N -0.178 119.819 119.800 0.328 0.000 2.263 553 Q HA 0.388 4.728 4.340 -0.000 0.000 0.262 553 Q C -0.816 175.315 176.000 0.217 0.000 0.984 553 Q CA -0.640 55.337 55.803 0.290 0.000 0.813 553 Q CB 1.249 30.204 28.738 0.361 0.000 1.299 553 Q HN 0.688 nan 8.270 nan 0.000 0.428 554 K N 1.222 121.742 120.400 0.201 0.000 2.402 554 K HA 0.367 4.687 4.320 -0.000 0.000 0.204 554 K C -0.705 175.992 176.600 0.161 0.000 1.056 554 K CA 0.287 56.677 56.287 0.173 0.000 1.069 554 K CB 1.612 34.241 32.500 0.215 0.000 0.888 554 K HN 0.554 nan 8.250 nan 0.000 0.546 555 A N 2.614 125.537 122.820 0.172 0.000 2.256 555 A HA 0.473 4.793 4.320 -0.000 0.000 0.317 555 A C -0.730 176.909 177.584 0.090 0.000 1.318 555 A CA -0.450 51.688 52.037 0.168 0.000 0.894 555 A CB 0.283 19.448 19.000 0.276 0.000 1.165 555 A HN 0.252 nan 8.150 nan 0.000 0.525 556 D N -0.014 120.411 120.400 0.042 0.000 2.825 556 D HA 0.405 5.045 4.640 -0.000 0.000 0.327 556 D C 0.281 176.567 176.300 -0.024 0.000 1.277 556 D CA 0.328 54.330 54.000 0.003 0.000 0.950 556 D CB 0.229 41.019 40.800 -0.016 0.000 1.438 556 D HN 0.207 nan 8.370 nan 0.000 0.526 557 T N -2.355 112.188 114.554 -0.018 0.000 3.176 557 T HA 0.316 4.666 4.350 -0.000 0.000 0.263 557 T C 0.551 175.193 174.700 -0.095 0.000 1.021 557 T CA -0.201 61.894 62.100 -0.009 0.000 0.905 557 T CB -0.628 68.285 68.868 0.076 0.000 1.057 557 T HN 0.500 nan 8.240 nan 0.000 0.558 558 V N 1.500 121.254 119.914 -0.267 0.000 2.649 558 V HA 0.586 4.706 4.120 -0.000 0.000 0.292 558 V C -0.266 175.778 176.094 -0.084 0.000 1.055 558 V CA -1.217 60.918 62.300 -0.275 0.000 1.023 558 V CB 0.432 31.933 31.823 -0.538 0.000 0.992 558 V HN 0.444 nan 8.190 nan 0.000 0.480 559 F N 7.586 127.442 119.950 -0.158 0.000 2.427 559 F HA 0.663 5.190 4.527 -0.000 0.000 0.352 559 F C 0.451 176.195 175.800 -0.092 0.000 1.100 559 F CA -0.113 57.820 58.000 -0.112 0.000 1.191 559 F CB 0.444 39.387 39.000 -0.094 0.000 1.128 559 F HN 0.603 nan 8.300 nan 0.000 0.533 560 R N 5.980 126.045 120.500 -0.727 0.000 2.698 560 R HA 0.559 4.899 4.340 -0.000 0.000 0.275 560 R C -1.766 174.159 176.300 -0.625 0.000 1.001 560 R CA -1.094 54.731 56.100 -0.457 0.000 0.896 560 R CB 2.103 32.266 30.300 -0.229 0.000 1.218 560 R HN 0.639 nan 8.270 nan 0.000 0.462 561 L N 3.358 124.408 121.223 -0.289 0.000 2.318 561 L HA 0.459 4.799 4.340 -0.000 0.000 0.277 561 L C -0.193 176.686 176.870 0.015 0.000 1.008 561 L CA -0.275 54.444 54.840 -0.201 0.000 0.846 561 L CB 0.756 42.809 42.059 -0.009 0.000 1.220 561 L HN 0.804 nan 8.230 nan 0.000 0.423 562 N N -0.219 118.421 118.700 -0.099 0.000 3.506 562 N HA 0.203 4.943 4.740 -0.000 0.000 0.331 562 N C 0.145 175.361 175.510 -0.490 0.000 1.631 562 N CA -0.934 51.955 53.050 -0.269 0.000 0.786 562 N CB 0.664 39.101 38.487 -0.083 0.000 2.023 562 N HN 0.335 nan 8.380 nan 0.000 0.621 563 W N 0.872 121.644 121.300 -0.879 0.000 2.355 563 W HA 0.088 4.748 4.660 -0.000 0.000 0.309 563 W C 2.366 178.869 176.519 -0.028 0.000 1.206 563 W CA 2.504 59.557 57.345 -0.486 0.000 1.284 563 W CB -0.866 28.470 29.460 -0.205 0.000 1.145 563 W HN 0.702 nan 8.180 nan 0.000 0.502 564 A N -0.366 122.472 122.820 0.029 0.000 1.940 564 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 564 A C 1.930 179.435 177.584 -0.130 0.000 1.176 564 A CA 2.595 54.576 52.037 -0.094 0.000 0.631 564 A CB -1.331 17.690 19.000 0.034 0.000 0.814 564 A HN 0.321 nan 8.150 nan 0.000 0.446 565 T N -1.310 113.188 114.554 -0.094 0.000 2.746 565 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 565 T C 1.798 176.545 174.700 0.078 0.000 1.039 565 T CA 1.740 63.767 62.100 -0.122 0.000 1.142 565 T CB -0.451 68.215 68.868 -0.337 0.000 0.866 565 T HN 0.724 nan 8.240 nan 0.000 0.444 566 Y N 1.871 122.253 120.300 0.136 0.000 2.263 566 Y HA 0.074 4.624 4.550 -0.000 0.000 0.292 566 Y C 1.879 177.765 175.900 -0.025 0.000 1.130 566 Y CA 0.753 58.955 58.100 0.171 0.000 1.179 566 Y CB -0.678 37.862 38.460 0.133 0.000 0.998 566 Y HN 0.113 nan 8.280 nan 0.000 0.532 567 L N 0.276 121.078 121.223 -0.703 0.000 2.083 567 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 567 L C 2.803 179.420 176.870 -0.422 0.000 1.083 567 L CA 1.273 55.630 54.840 -0.805 0.000 0.752 567 L CB -0.907 40.735 42.059 -0.694 0.000 0.899 567 L HN 0.402 nan 8.230 nan 0.000 0.433 568 A N -1.166 121.492 122.820 -0.270 0.000 1.898 568 A HA -0.161 4.159 4.320 -0.000 0.000 0.214 568 A C 2.516 180.029 177.584 -0.118 0.000 1.183 568 A CA 1.604 53.538 52.037 -0.172 0.000 0.622 568 A CB -0.562 18.335 19.000 -0.172 0.000 0.824 568 A HN 0.322 nan 8.150 nan 0.000 0.444 569 S N -1.202 114.448 115.700 -0.084 0.000 2.383 569 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 569 S C 1.881 176.491 174.600 0.017 0.000 1.026 569 S CA 2.257 60.455 58.200 -0.004 0.000 0.981 569 S CB -0.292 62.968 63.200 0.100 0.000 0.818 569 S HN 0.560 nan 8.310 nan 0.000 0.472 570 T N 0.864 115.398 114.554 -0.034 0.000 3.046 570 T HA 0.213 4.563 4.350 -0.000 0.000 0.242 570 T C 1.375 176.047 174.700 -0.048 0.000 1.018 570 T CA 0.319 62.427 62.100 0.014 0.000 1.131 570 T CB -0.056 68.904 68.868 0.152 0.000 0.904 570 T HN 0.260 nan 8.240 nan 0.000 0.459 571 E N 1.674 121.758 120.200 -0.194 0.000 2.478 571 E HA 0.140 4.490 4.350 -0.000 0.000 0.194 571 E C 0.142 176.721 176.600 -0.035 0.000 1.045 571 E CA -0.009 56.319 56.400 -0.121 0.000 0.868 571 E CB -0.133 29.433 29.700 -0.223 0.000 0.885 571 E HN 0.342 nan 8.360 nan 0.000 0.505 572 N N 0.614 119.303 118.700 -0.019 0.000 2.758 572 N HA -0.199 4.541 4.740 -0.000 0.000 0.248 572 N C -0.569 175.010 175.510 0.114 0.000 1.076 572 N CA 0.647 53.752 53.050 0.092 0.000 0.696 572 N CB -1.636 36.951 38.487 0.167 0.000 0.979 572 N HN 0.276 nan 8.380 nan 0.000 0.550 573 I N 0.881 121.449 120.570 -0.003 0.000 2.392 573 I HA 0.356 4.526 4.170 -0.000 0.000 0.295 573 I C 1.018 177.105 176.117 -0.049 0.000 0.985 573 I CA -0.716 60.584 61.300 -0.001 0.000 1.221 573 I CB 1.423 39.422 38.000 -0.002 0.000 1.366 573 I HN -0.061 nan 8.210 nan 0.000 0.467 574 I N 6.100 126.653 120.570 -0.029 0.000 2.371 574 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 574 I C -0.475 175.623 176.117 -0.032 0.000 1.028 574 I CA -0.373 60.876 61.300 -0.086 0.000 1.345 574 I CB 1.200 39.164 38.000 -0.061 0.000 1.407 574 I HN 0.207 nan 8.210 nan 0.000 0.501 575 V N 6.934 126.819 119.914 -0.048 0.000 2.350 575 V HA 0.577 4.697 4.120 -0.000 0.000 0.285 575 V C 0.246 176.363 176.094 0.038 0.000 1.014 575 V CA -0.473 61.847 62.300 0.034 0.000 0.831 575 V CB 1.232 33.076 31.823 0.035 0.000 1.000 575 V HN 0.816 nan 8.190 nan 0.000 0.433 576 A N 3.997 126.864 122.820 0.077 0.000 2.340 576 A HA 0.923 5.243 4.320 -0.000 0.000 0.331 576 A C -0.118 177.603 177.584 0.228 0.000 1.140 576 A CA -0.462 51.616 52.037 0.069 0.000 0.801 576 A CB 1.505 20.422 19.000 -0.139 0.000 1.234 576 A HN 0.680 nan 8.150 nan 0.000 0.469 577 S N 0.240 116.121 115.700 0.302 0.000 2.536 577 S HA 0.747 5.217 4.470 -0.000 0.000 0.287 577 S C -1.369 173.566 174.600 0.558 0.000 1.101 577 S CA -0.311 58.113 58.200 0.374 0.000 0.950 577 S CB 1.260 64.623 63.200 0.271 0.000 1.056 577 S HN 0.737 nan 8.310 nan 0.000 0.481 578 F N 1.824 122.003 119.950 0.381 0.000 2.556 578 F HA 0.517 5.044 4.527 -0.000 0.000 0.314 578 F C -1.531 174.471 175.800 0.337 0.000 1.106 578 F CA -0.793 57.461 58.000 0.423 0.000 0.911 578 F CB 1.546 40.771 39.000 0.375 0.000 1.190 578 F HN 0.379 nan 8.300 nan 0.000 0.448 579 D N 4.248 124.449 120.400 -0.332 0.000 2.454 579 D HA 0.392 5.032 4.640 -0.000 0.000 0.225 579 D C 0.311 176.318 176.300 -0.488 0.000 1.081 579 D CA 0.082 53.958 54.000 -0.206 0.000 0.864 579 D CB 1.521 42.361 40.800 0.066 0.000 1.040 579 D HN 0.780 nan 8.370 nan 0.000 0.517 580 G N 1.353 109.965 108.800 -0.313 0.000 2.641 580 G HA2 0.314 4.274 3.960 -0.000 0.000 0.239 580 G HA3 0.314 4.274 3.960 -0.000 0.000 0.239 580 G C 0.150 175.071 174.900 0.035 0.000 1.402 580 G CA -0.705 44.251 45.100 -0.240 0.000 1.046 580 G HN 0.289 nan 8.290 nan 0.000 0.565 581 R N -0.842 119.660 120.500 0.004 0.000 2.623 581 R HA 0.366 4.705 4.340 -0.000 0.000 0.271 581 R C 1.304 177.696 176.300 0.152 0.000 1.043 581 R CA 1.421 57.613 56.100 0.154 0.000 1.083 581 R CB 0.454 30.835 30.300 0.135 0.000 0.974 581 R HN 1.061 nan 8.270 nan 0.000 0.436 582 G N 0.910 109.797 108.800 0.145 0.000 2.241 582 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.244 582 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.244 582 G C 0.186 175.114 174.900 0.048 0.000 0.998 582 G CA 0.271 45.431 45.100 0.101 0.000 0.621 582 G HN 0.750 nan 8.290 nan 0.000 0.519 583 S N 0.445 116.189 115.700 0.073 0.000 2.593 583 S HA 0.628 5.098 4.470 -0.000 0.000 0.269 583 S C 0.866 175.467 174.600 0.000 0.000 1.334 583 S CA 0.570 58.808 58.200 0.063 0.000 1.015 583 S CB 1.688 64.957 63.200 0.115 0.000 0.912 583 S HN 1.701 nan 8.310 nan 0.000 0.541 584 G N -0.549 108.226 108.800 -0.042 0.000 2.511 584 G HA2 0.505 4.465 3.960 -0.000 0.000 0.316 584 G HA3 0.505 4.465 3.960 -0.000 0.000 0.316 584 G C -0.908 173.926 174.900 -0.110 0.000 1.210 584 G CA -0.955 43.978 45.100 -0.278 0.000 0.969 584 G HN 0.979 nan 8.290 nan 0.000 0.492 585 Y N -2.406 117.882 120.300 -0.020 0.000 4.879 585 Y HA -0.213 4.337 4.550 -0.000 0.000 0.247 585 Y C 1.467 177.372 175.900 0.008 0.000 0.985 585 Y CA 1.094 59.195 58.100 0.001 0.000 2.000 585 Y CB -2.023 36.455 38.460 0.030 0.000 1.519 585 Y HN 0.565 nan 8.280 nan 0.000 0.613 586 Q N 0.053 119.880 119.800 0.045 0.000 2.110 586 Q HA 0.528 4.867 4.340 -0.000 0.000 0.232 586 Q C 0.916 176.769 176.000 -0.245 0.000 0.810 586 Q CA 0.238 56.063 55.803 0.037 0.000 1.083 586 Q CB 1.673 30.439 28.738 0.046 0.000 1.193 586 Q HN 0.555 nan 8.270 nan 0.000 0.471 587 G N 0.746 109.265 108.800 -0.468 0.000 2.662 587 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 587 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 587 G C -0.553 173.998 174.900 -0.582 0.000 1.271 587 G CA -0.564 44.009 45.100 -0.879 0.000 0.816 587 G HN 0.110 nan 8.290 nan 0.000 0.608 588 D N -0.222 119.819 120.400 -0.599 0.000 2.269 588 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 588 D C 2.173 178.249 176.300 -0.373 0.000 0.963 588 D CA 1.216 54.846 54.000 -0.617 0.000 0.864 588 D CB 0.080 40.547 40.800 -0.554 0.000 0.936 588 D HN 0.565 nan 8.370 nan 0.000 0.505 589 K N 0.404 120.637 120.400 -0.278 0.000 2.097 589 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 589 K C 1.957 178.506 176.600 -0.085 0.000 1.050 589 K CA 0.754 56.957 56.287 -0.140 0.000 0.938 589 K CB 0.064 32.493 32.500 -0.117 0.000 0.718 589 K HN 0.102 nan 8.250 nan 0.000 0.442 590 I N 0.326 120.829 120.570 -0.113 0.000 2.339 590 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 590 I C 2.599 178.710 176.117 -0.010 0.000 1.096 590 I CA 0.662 61.961 61.300 -0.003 0.000 1.408 590 I CB -0.094 37.912 38.000 0.010 0.000 1.092 590 I HN 0.257 nan 8.210 nan 0.000 0.423 591 M N 0.371 119.886 119.600 -0.142 0.000 2.086 591 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 591 M C 1.872 178.159 176.300 -0.021 0.000 1.067 591 M CA 2.053 57.274 55.300 -0.133 0.000 1.116 591 M CB -0.360 32.051 32.600 -0.314 0.000 1.348 591 M HN 0.233 nan 8.290 nan 0.000 0.407 592 H N -0.381 118.613 119.070 -0.128 0.000 2.553 592 H HA 0.188 4.744 4.556 -0.000 0.000 0.269 592 H C 1.775 177.135 175.328 0.054 0.000 1.011 592 H CA 0.106 56.086 56.048 -0.112 0.000 1.150 592 H CB 0.034 29.624 29.762 -0.286 0.000 1.339 592 H HN 0.555 nan 8.280 nan 0.000 0.604 593 A N 0.671 123.606 122.820 0.192 0.000 2.125 593 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 593 A C 1.834 179.623 177.584 0.342 0.000 1.156 593 A CA 1.099 53.278 52.037 0.236 0.000 0.671 593 A CB -0.212 18.909 19.000 0.202 0.000 0.794 593 A HN 0.416 nan 8.150 nan 0.000 0.459 594 I N -0.500 120.240 120.570 0.282 0.000 3.941 594 I HA 0.082 4.252 4.170 -0.000 0.000 0.335 594 I C 0.376 176.571 176.117 0.131 0.000 1.402 594 I CA -0.347 61.069 61.300 0.192 0.000 1.112 594 I CB -0.089 38.013 38.000 0.170 0.000 1.043 594 I HN 0.215 nan 8.210 nan 0.000 0.395 595 N N 2.032 120.867 118.700 0.226 0.000 2.356 595 N HA -0.087 4.653 4.740 -0.000 0.000 0.252 595 N C 0.504 176.042 175.510 0.046 0.000 1.241 595 N CA 0.741 53.937 53.050 0.242 0.000 0.861 595 N CB 0.229 38.831 38.487 0.192 0.000 1.075 595 N HN 0.169 nan 8.380 nan 0.000 0.461 596 R N 0.696 121.199 120.500 0.005 0.000 3.932 596 R HA -0.247 4.093 4.340 -0.000 0.000 0.318 596 R C -0.391 175.734 176.300 -0.292 0.000 1.219 596 R CA 1.191 57.230 56.100 -0.102 0.000 0.889 596 R CB -1.355 28.914 30.300 -0.052 0.000 1.309 596 R HN 0.657 nan 8.270 nan 0.000 0.537 597 R N 0.316 120.627 120.500 -0.315 0.000 2.648 597 R HA 0.268 4.608 4.340 -0.000 0.000 0.341 597 R C -0.347 175.810 176.300 -0.239 0.000 1.154 597 R CA -0.409 55.310 56.100 -0.635 0.000 1.228 597 R CB 0.681 30.663 30.300 -0.531 0.000 1.311 597 R HN 0.004 nan 8.270 nan 0.000 0.659 598 L N 0.084 121.295 121.223 -0.019 0.000 2.483 598 L HA 0.198 4.538 4.340 -0.000 0.000 0.275 598 L C 1.385 178.509 176.870 0.424 0.000 1.220 598 L CA 0.819 55.743 54.840 0.139 0.000 0.833 598 L CB 0.431 42.380 42.059 -0.183 0.000 1.102 598 L HN 0.674 nan 8.230 nan 0.000 0.490 599 G N 1.136 110.229 108.800 0.488 0.000 2.176 599 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 599 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 599 G C 0.281 175.277 174.900 0.159 0.000 1.024 599 G CA 0.488 45.802 45.100 0.357 0.000 0.755 599 G HN 0.743 nan 8.290 nan 0.000 0.507 600 T N -1.735 112.878 114.554 0.098 0.000 2.964 600 T HA 0.459 4.809 4.350 -0.000 0.000 0.161 600 T C 1.670 176.365 174.700 -0.009 0.000 0.859 600 T CA 0.734 62.799 62.100 -0.059 0.000 1.015 600 T CB -0.069 68.641 68.868 -0.263 0.000 2.138 600 T HN 0.038 nan 8.240 nan 0.000 0.367 601 F N 3.065 123.062 119.950 0.079 0.000 2.216 601 F HA 0.042 4.569 4.527 -0.000 0.000 0.300 601 F C 2.590 178.426 175.800 0.059 0.000 1.085 601 F CA 1.087 59.120 58.000 0.054 0.000 1.326 601 F CB -0.602 38.426 39.000 0.046 0.000 1.027 601 F HN 0.423 nan 8.300 nan 0.000 0.497 602 E N 0.799 121.149 120.200 0.250 0.000 2.204 602 E HA -0.129 4.221 4.350 -0.000 0.000 0.195 602 E C 2.044 178.749 176.600 0.174 0.000 0.990 602 E CA 1.469 57.991 56.400 0.203 0.000 0.821 602 E CB -0.903 28.919 29.700 0.203 0.000 0.750 602 E HN 0.302 nan 8.360 nan 0.000 0.477 603 V N 1.694 121.689 119.914 0.135 0.000 2.346 603 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 603 V C 2.358 178.491 176.094 0.066 0.000 1.037 603 V CA 1.965 64.301 62.300 0.060 0.000 1.029 603 V CB -0.573 31.243 31.823 -0.012 0.000 0.663 603 V HN 0.203 nan 8.190 nan 0.000 0.454 604 E N 0.277 120.533 120.200 0.093 0.000 2.097 604 E HA -0.269 4.080 4.350 -0.000 0.000 0.196 604 E C 1.904 178.541 176.600 0.062 0.000 1.000 604 E CA 1.691 58.144 56.400 0.088 0.000 0.804 604 E CB -0.205 29.585 29.700 0.150 0.000 0.740 604 E HN 0.580 nan 8.360 nan 0.000 0.454 605 D N 0.172 120.626 120.400 0.089 0.000 2.183 605 D HA -0.114 4.526 4.640 -0.000 0.000 0.203 605 D C 2.007 178.326 176.300 0.031 0.000 0.969 605 D CA 0.688 54.724 54.000 0.059 0.000 0.842 605 D CB -0.111 40.762 40.800 0.121 0.000 0.957 605 D HN 0.079 nan 8.370 nan 0.000 0.484 606 Q N 0.129 120.004 119.800 0.124 0.000 2.124 606 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 606 Q C 2.510 178.550 176.000 0.066 0.000 0.977 606 Q CA 0.600 56.478 55.803 0.125 0.000 0.850 606 Q CB -0.118 28.716 28.738 0.161 0.000 0.901 606 Q HN 0.427 nan 8.270 nan 0.000 0.429 607 I N 0.675 121.296 120.570 0.086 0.000 2.202 607 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 607 I C 2.450 178.541 176.117 -0.044 0.000 1.091 607 I CA 1.241 62.626 61.300 0.141 0.000 1.368 607 I CB -0.207 37.868 38.000 0.124 0.000 1.058 607 I HN 0.160 nan 8.210 nan 0.000 0.410 608 E N 1.620 121.741 120.200 -0.131 0.000 2.077 608 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 608 E C 2.079 178.416 176.600 -0.439 0.000 0.989 608 E CA 1.776 58.039 56.400 -0.229 0.000 0.800 608 E CB -0.215 29.372 29.700 -0.188 0.000 0.746 608 E HN 0.401 nan 8.360 nan 0.000 0.452 609 A N 0.968 123.377 122.820 -0.686 0.000 1.883 609 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 609 A C 2.502 179.463 177.584 -1.038 0.000 1.186 609 A CA 2.449 53.772 52.037 -1.189 0.000 0.624 609 A CB -1.212 16.773 19.000 -1.691 0.000 0.822 609 A HN 0.425 nan 8.150 nan 0.000 0.444 610 A N -0.385 122.172 122.820 -0.439 0.000 1.902 610 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 610 A C 2.236 179.661 177.584 -0.266 0.000 1.181 610 A CA 1.519 53.452 52.037 -0.173 0.000 0.623 610 A CB -0.498 18.467 19.000 -0.059 0.000 0.818 610 A HN 0.564 nan 8.150 nan 0.000 0.443 611 R N -0.655 119.670 120.500 -0.292 0.000 2.094 611 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 611 R C 2.495 178.643 176.300 -0.254 0.000 1.137 611 R CA 1.909 57.862 56.100 -0.245 0.000 0.943 611 R CB -0.444 29.734 30.300 -0.203 0.000 0.850 611 R HN 0.683 nan 8.270 nan 0.000 0.433 612 Q N -0.491 119.092 119.800 -0.361 0.000 2.124 612 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 612 Q C 1.988 177.829 176.000 -0.264 0.000 0.977 612 Q CA 1.274 56.877 55.803 -0.332 0.000 0.850 612 Q CB -0.080 28.411 28.738 -0.412 0.000 0.901 612 Q HN 0.240 nan 8.270 nan 0.000 0.429 613 F N 0.674 120.460 119.950 -0.274 0.000 2.126 613 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 613 F C 2.536 178.160 175.800 -0.295 0.000 1.096 613 F CA 0.962 58.782 58.000 -0.300 0.000 1.255 613 F CB -0.886 37.960 39.000 -0.257 0.000 0.997 613 F HN -0.062 nan 8.300 nan 0.000 0.479 614 S N -0.492 115.168 115.700 -0.067 0.000 2.419 614 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 614 S C 1.656 176.174 174.600 -0.136 0.000 1.019 614 S CA 1.110 59.240 58.200 -0.118 0.000 0.982 614 S CB -0.349 62.770 63.200 -0.134 0.000 0.789 614 S HN 0.380 nan 8.310 nan 0.000 0.490 615 K N 0.327 120.644 120.400 -0.138 0.000 2.476 615 K HA 0.239 4.559 4.320 -0.000 0.000 0.196 615 K C -0.231 176.283 176.600 -0.144 0.000 1.025 615 K CA 0.073 56.286 56.287 -0.123 0.000 1.138 615 K CB 0.023 32.461 32.500 -0.104 0.000 0.860 615 K HN 0.382 nan 8.250 nan 0.000 0.515 616 M N -0.108 119.349 119.600 -0.240 0.000 2.209 616 M HA 0.132 4.612 4.480 -0.000 0.000 0.355 616 M C 1.370 177.470 176.300 -0.333 0.000 1.171 616 M CA -0.244 54.839 55.300 -0.363 0.000 1.069 616 M CB 1.507 33.658 32.600 -0.749 0.000 1.622 616 M HN 0.150 nan 8.290 nan 0.000 0.459 617 G N 2.584 111.315 108.800 -0.114 0.000 2.568 617 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.220 617 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.220 617 G C 0.748 175.688 174.900 0.067 0.000 1.104 617 G CA 0.878 45.977 45.100 -0.001 0.000 0.738 617 G HN 0.818 nan 8.290 nan 0.000 0.574 618 F N -0.227 119.775 119.950 0.087 0.000 2.678 618 F HA 0.545 5.072 4.527 -0.000 0.000 0.305 618 F C 0.267 176.185 175.800 0.196 0.000 1.090 618 F CA -1.237 56.857 58.000 0.157 0.000 1.272 618 F CB -0.192 38.953 39.000 0.243 0.000 1.060 618 F HN 0.034 nan 8.300 nan 0.000 0.576 619 V N 0.573 120.448 119.914 -0.065 0.000 2.513 619 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 619 V C -0.859 175.212 176.094 -0.039 0.000 1.035 619 V CA -0.780 61.518 62.300 -0.004 0.000 0.889 619 V CB 1.565 33.337 31.823 -0.086 0.000 0.988 619 V HN 0.261 nan 8.190 nan 0.000 0.440 620 D N 4.261 124.638 120.400 -0.038 0.000 2.295 620 D HA 0.154 4.794 4.640 -0.000 0.000 0.248 620 D C 0.978 177.228 176.300 -0.083 0.000 1.154 620 D CA 0.020 53.979 54.000 -0.069 0.000 0.857 620 D CB 1.024 41.773 40.800 -0.085 0.000 1.117 620 D HN 0.839 nan 8.370 nan 0.000 0.468 621 N N 2.765 121.417 118.700 -0.079 0.000 2.609 621 N HA -0.133 4.607 4.740 -0.000 0.000 0.190 621 N C 0.585 176.055 175.510 -0.067 0.000 1.157 621 N CA 0.086 53.086 53.050 -0.084 0.000 0.918 621 N CB 0.086 38.520 38.487 -0.088 0.000 0.978 621 N HN 0.357 nan 8.380 nan 0.000 0.448 622 K N 0.341 120.709 120.400 -0.054 0.000 2.361 622 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 622 K C 0.372 176.976 176.600 0.007 0.000 1.039 622 K CA 0.337 56.610 56.287 -0.024 0.000 1.001 622 K CB 0.383 32.869 32.500 -0.023 0.000 0.795 622 K HN 0.178 nan 8.250 nan 0.000 0.495 623 R N 1.449 121.926 120.500 -0.038 0.000 2.681 623 R HA 0.350 4.690 4.340 -0.000 0.000 0.277 623 R C -0.893 175.397 176.300 -0.016 0.000 1.563 623 R CA -0.124 55.964 56.100 -0.020 0.000 1.673 623 R CB 0.620 30.736 30.300 -0.306 0.000 1.258 623 R HN 0.000 nan 8.270 nan 0.000 0.650 624 I N 1.216 121.874 120.570 0.146 0.000 2.339 624 I HA 0.547 4.717 4.170 -0.000 0.000 0.290 624 I C 0.190 176.567 176.117 0.433 0.000 0.994 624 I CA -0.740 60.684 61.300 0.207 0.000 1.191 624 I CB 1.733 39.710 38.000 -0.038 0.000 1.343 624 I HN 0.303 nan 8.210 nan 0.000 0.458 625 A N 7.248 130.424 122.820 0.594 0.000 2.387 625 A HA 0.916 5.235 4.320 -0.000 0.000 0.303 625 A C -1.025 176.906 177.584 0.578 0.000 1.145 625 A CA -0.648 51.714 52.037 0.540 0.000 0.801 625 A CB 2.216 21.402 19.000 0.310 0.000 1.342 625 A HN 0.755 nan 8.150 nan 0.000 0.440 626 I N 0.236 121.067 120.570 0.436 0.000 2.769 626 I HA 0.771 4.941 4.170 -0.000 0.000 0.298 626 I C -1.810 174.565 176.117 0.429 0.000 1.128 626 I CA -0.638 60.864 61.300 0.337 0.000 1.031 626 I CB 1.799 39.765 38.000 -0.056 0.000 1.235 626 I HN 0.946 nan 8.210 nan 0.000 0.423 627 W N 6.704 128.131 121.300 0.211 0.000 3.066 627 W HA 0.816 5.476 4.660 -0.000 0.000 0.330 627 W C -1.414 175.254 176.519 0.248 0.000 1.253 627 W CA -0.616 56.863 57.345 0.223 0.000 1.187 627 W CB 0.876 30.514 29.460 0.298 0.000 1.434 627 W HN 0.898 nan 8.180 nan 0.000 0.572 628 G N 0.375 109.124 108.800 -0.085 0.000 2.356 628 G HA2 0.428 4.388 3.960 -0.000 0.000 0.294 628 G HA3 0.428 4.388 3.960 -0.000 0.000 0.294 628 G C -2.904 172.007 174.900 0.018 0.000 1.423 628 G CA -0.789 44.097 45.100 -0.357 0.000 0.806 628 G HN 0.661 nan 8.290 nan 0.000 0.527 629 W N 0.731 121.960 121.300 -0.117 0.000 2.839 629 W HA 0.605 5.265 4.660 -0.000 0.000 0.334 629 W C 0.659 177.229 176.519 0.084 0.000 1.064 629 W CA 0.428 57.766 57.345 -0.011 0.000 1.236 629 W CB 1.781 31.229 29.460 -0.021 0.000 1.405 629 W HN 1.404 nan 8.180 nan 0.000 0.478 630 S N 2.739 118.648 115.700 0.348 0.000 4.120 630 S HA -0.414 4.056 4.470 -0.000 0.000 0.625 630 S C 1.077 175.795 174.600 0.197 0.000 1.925 630 S CA 1.614 60.036 58.200 0.370 0.000 4.213 630 S CB -1.784 61.789 63.200 0.623 0.000 0.206 630 S HN 0.713 nan 8.310 nan 0.000 0.523 631 Y N 2.344 122.682 120.300 0.063 0.000 2.165 631 Y HA -0.021 4.529 4.550 -0.000 0.000 0.286 631 Y C 2.426 178.262 175.900 -0.107 0.000 1.155 631 Y CA 2.736 60.744 58.100 -0.152 0.000 1.164 631 Y CB -1.054 37.075 38.460 -0.551 0.000 0.978 631 Y HN 0.561 nan 8.280 nan 0.000 0.513 632 G N -1.146 107.708 108.800 0.091 0.000 2.462 632 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.220 632 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.220 632 G C 1.877 176.827 174.900 0.083 0.000 1.121 632 G CA 0.827 45.998 45.100 0.118 0.000 0.758 632 G HN 0.587 nan 8.290 nan 0.000 0.559 633 G N -0.347 108.508 108.800 0.092 0.000 2.408 633 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.215 633 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.215 633 G C 1.569 176.502 174.900 0.055 0.000 1.156 633 G CA 0.937 46.071 45.100 0.058 0.000 0.793 633 G HN 0.392 nan 8.290 nan 0.000 0.535 634 Y N 1.511 121.721 120.300 -0.150 0.000 2.114 634 Y HA -0.142 4.408 4.550 -0.000 0.000 0.284 634 Y C 2.769 178.584 175.900 -0.141 0.000 1.143 634 Y CA 1.652 59.618 58.100 -0.223 0.000 1.135 634 Y CB -0.491 37.694 38.460 -0.458 0.000 0.980 634 Y HN 0.026 nan 8.280 nan 0.000 0.499 635 V N -0.323 119.494 119.914 -0.162 0.000 2.295 635 V HA -0.331 3.788 4.120 -0.000 0.000 0.246 635 V C 2.311 178.301 176.094 -0.173 0.000 1.049 635 V CA 2.465 64.654 62.300 -0.186 0.000 1.024 635 V CB -1.238 30.613 31.823 0.047 0.000 0.648 635 V HN 0.488 nan 8.190 nan 0.000 0.447 636 T N -0.236 114.268 114.554 -0.082 0.000 2.759 636 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 636 T C 2.118 176.759 174.700 -0.098 0.000 1.042 636 T CA 1.958 64.015 62.100 -0.072 0.000 1.140 636 T CB -0.233 68.672 68.868 0.062 0.000 0.864 636 T HN 0.507 nan 8.240 nan 0.000 0.455 637 S N 0.774 116.440 115.700 -0.057 0.000 2.371 637 S HA 0.052 4.522 4.470 -0.000 0.000 0.224 637 S C 2.130 176.631 174.600 -0.166 0.000 1.029 637 S CA 0.757 58.947 58.200 -0.015 0.000 0.978 637 S CB -0.207 63.048 63.200 0.092 0.000 0.833 637 S HN 0.315 nan 8.310 nan 0.000 0.466 638 M N 1.051 120.472 119.600 -0.298 0.000 2.117 638 M HA -0.024 4.456 4.480 -0.000 0.000 0.262 638 M C 2.198 178.328 176.300 -0.284 0.000 1.065 638 M CA 1.082 56.188 55.300 -0.323 0.000 1.114 638 M CB -1.432 30.875 32.600 -0.487 0.000 1.361 638 M HN 0.164 nan 8.290 nan 0.000 0.408 639 V N 0.705 120.443 119.914 -0.294 0.000 2.295 639 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 639 V C 2.509 178.383 176.094 -0.368 0.000 1.049 639 V CA 1.442 63.558 62.300 -0.305 0.000 1.024 639 V CB -0.648 30.922 31.823 -0.422 0.000 0.648 639 V HN 0.401 nan 8.190 nan 0.000 0.447 640 L N 0.431 121.371 121.223 -0.472 0.000 2.265 640 L HA -0.052 4.288 4.340 -0.000 0.000 0.215 640 L C 2.186 178.497 176.870 -0.932 0.000 1.117 640 L CA 1.400 55.868 54.840 -0.620 0.000 0.782 640 L CB -0.696 40.958 42.059 -0.675 0.000 0.914 640 L HN 0.480 nan 8.230 nan 0.000 0.441 641 G N -1.373 106.902 108.800 -0.876 0.000 3.233 641 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.227 641 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.227 641 G C 1.494 176.228 174.900 -0.278 0.000 1.175 641 G CA 0.574 45.282 45.100 -0.653 0.000 0.781 641 G HN 0.427 nan 8.290 nan 0.000 0.542 642 S N -0.781 114.777 115.700 -0.237 0.000 2.446 642 S HA 0.308 4.778 4.470 -0.000 0.000 0.225 642 S C 1.974 176.528 174.600 -0.077 0.000 1.016 642 S CA 1.139 59.266 58.200 -0.121 0.000 0.943 642 S CB -0.075 63.074 63.200 -0.084 0.000 0.786 642 S HN 1.355 nan 8.310 nan 0.000 0.508 643 G N 1.222 109.970 108.800 -0.087 0.000 2.157 643 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.248 643 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.248 643 G C 1.055 175.948 174.900 -0.012 0.000 0.979 643 G CA 0.993 46.066 45.100 -0.045 0.000 0.650 643 G HN 1.296 nan 8.290 nan 0.000 0.529 644 S N -0.357 115.349 115.700 0.010 0.000 2.400 644 S HA 0.244 4.714 4.470 -0.000 0.000 0.232 644 S C 2.694 177.304 174.600 0.017 0.000 1.025 644 S CA 2.016 60.235 58.200 0.031 0.000 0.993 644 S CB -0.388 62.868 63.200 0.093 0.000 0.808 644 S HN 2.485 nan 8.310 nan 0.000 0.478 645 G N -0.283 108.536 108.800 0.031 0.000 2.199 645 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.254 645 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.254 645 G C 0.797 175.686 174.900 -0.019 0.000 0.982 645 G CA 0.380 45.486 45.100 0.011 0.000 0.632 645 G HN 0.759 nan 8.290 nan 0.000 0.529 646 V N -0.253 119.630 119.914 -0.052 0.000 2.548 646 V HA 0.251 4.370 4.120 -0.000 0.000 0.249 646 V C 1.133 176.982 176.094 -0.409 0.000 1.055 646 V CA 1.482 63.606 62.300 -0.294 0.000 1.065 646 V CB -0.390 31.131 31.823 -0.503 0.000 0.681 646 V HN 0.309 nan 8.190 nan 0.000 0.462 647 F N -0.075 119.889 119.950 0.023 0.000 2.436 647 F HA 0.410 4.937 4.527 -0.000 0.000 0.340 647 F C 1.048 176.889 175.800 0.069 0.000 1.113 647 F CA -0.701 57.338 58.000 0.064 0.000 1.022 647 F CB 1.473 40.512 39.000 0.064 0.000 1.128 647 F HN -0.248 nan 8.300 nan 0.000 0.466 648 K N 1.817 122.367 120.400 0.251 0.000 2.186 648 K HA 0.103 4.423 4.320 -0.000 0.000 0.202 648 K C -0.096 176.623 176.600 0.199 0.000 1.052 648 K CA 0.896 57.295 56.287 0.187 0.000 0.965 648 K CB 0.244 32.851 32.500 0.178 0.000 0.746 648 K HN 0.798 nan 8.250 nan 0.000 0.457 649 c N -2.914 115.839 118.600 0.256 0.000 3.306 649 c HA 0.881 5.451 4.570 -0.000 0.000 0.335 649 c C -0.297 173.999 174.090 0.344 0.000 1.382 649 c CA -0.544 55.950 56.329 0.275 0.000 1.254 649 c CB 1.114 43.719 42.510 0.159 0.000 1.555 649 c HN 0.336 nan 8.230 nan 0.000 0.463 650 G N 0.064 109.128 108.800 0.440 0.000 2.646 650 G HA2 0.739 4.699 3.960 -0.000 0.000 0.291 650 G HA3 0.739 4.699 3.960 -0.000 0.000 0.291 650 G C -2.038 173.068 174.900 0.344 0.000 1.445 650 G CA -0.740 44.600 45.100 0.399 0.000 0.814 650 G HN 1.061 nan 8.290 nan 0.000 0.495 651 I N 0.748 121.482 120.570 0.274 0.000 2.447 651 I HA 0.597 4.767 4.170 -0.000 0.000 0.287 651 I C 0.157 176.371 176.117 0.161 0.000 1.023 651 I CA -0.903 60.435 61.300 0.064 0.000 1.083 651 I CB 2.195 40.203 38.000 0.012 0.000 1.245 651 I HN 0.644 nan 8.210 nan 0.000 0.434 652 A N 6.563 129.379 122.820 -0.006 0.000 2.287 652 A HA 0.797 5.117 4.320 -0.000 0.000 0.317 652 A C -0.685 176.799 177.584 -0.168 0.000 1.220 652 A CA -0.514 51.531 52.037 0.014 0.000 0.835 652 A CB 1.071 20.144 19.000 0.120 0.000 1.180 652 A HN 0.448 nan 8.150 nan 0.000 0.500 653 V N 2.112 121.884 119.914 -0.237 0.000 2.417 653 V HA 0.574 4.694 4.120 -0.000 0.000 0.291 653 V C 0.940 176.632 176.094 -0.670 0.000 1.024 653 V CA 0.293 62.239 62.300 -0.591 0.000 0.861 653 V CB 0.881 32.064 31.823 -1.067 0.000 0.985 653 V HN 2.076 nan 8.190 nan 0.000 0.436 654 A N 5.573 127.948 122.820 -0.741 0.000 2.511 654 A HA -0.106 4.214 4.320 -0.000 0.000 0.297 654 A C -1.626 175.753 177.584 -0.341 0.000 1.476 654 A CA 0.424 51.894 52.037 -0.944 0.000 0.757 654 A CB -1.575 17.031 19.000 -0.656 0.000 1.072 654 A HN 0.630 nan 8.150 nan 0.000 0.413 655 P HA 0.367 nan 4.420 nan 0.000 0.275 655 P C 0.250 177.514 177.300 -0.060 0.000 1.228 655 P CA -0.096 62.970 63.100 -0.056 0.000 0.786 655 P CB 1.227 32.922 31.700 -0.008 0.000 0.927 656 V N 2.611 122.390 119.914 -0.224 0.000 2.686 656 V HA 0.047 4.167 4.120 -0.000 0.000 0.295 656 V C 1.730 177.617 176.094 -0.346 0.000 1.055 656 V CA 0.983 62.999 62.300 -0.474 0.000 1.050 656 V CB 0.746 31.900 31.823 -1.113 0.000 0.984 656 V HN 0.823 nan 8.190 nan 0.000 0.482 657 S N 3.620 119.151 115.700 -0.282 0.000 2.549 657 S HA 0.318 4.788 4.470 -0.000 0.000 0.225 657 S C 0.478 174.919 174.600 -0.265 0.000 1.039 657 S CA -0.381 57.737 58.200 -0.137 0.000 0.942 657 S CB 0.346 63.535 63.200 -0.018 0.000 0.881 657 S HN 0.732 nan 8.310 nan 0.000 0.503 658 R N -0.872 119.319 120.500 -0.515 0.000 2.647 658 R HA 0.233 4.573 4.340 -0.000 0.000 0.260 658 R C -1.309 174.666 176.300 -0.541 0.000 1.154 658 R CA -0.591 55.175 56.100 -0.556 0.000 1.029 658 R CB 0.123 29.983 30.300 -0.734 0.000 1.262 658 R HN 0.246 nan 8.270 nan 0.000 0.437 659 W N 2.122 123.354 121.300 -0.114 0.000 2.465 659 W HA 0.013 4.673 4.660 -0.000 0.000 0.268 659 W C 1.384 178.044 176.519 0.235 0.000 1.242 659 W CA 0.541 57.909 57.345 0.038 0.000 1.248 659 W CB 0.397 29.799 29.460 -0.098 0.000 1.118 659 W HN 0.694 nan 8.180 nan 0.000 0.587 660 E N -0.859 119.511 120.200 0.284 0.000 2.338 660 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 660 E C 1.243 177.959 176.600 0.194 0.000 1.007 660 E CA 0.861 57.355 56.400 0.158 0.000 0.849 660 E CB -0.192 29.493 29.700 -0.024 0.000 0.774 660 E HN 0.353 nan 8.360 nan 0.000 0.506 661 Y N -1.471 118.911 120.300 0.136 0.000 2.511 661 Y HA 0.047 4.597 4.550 -0.000 0.000 0.279 661 Y C 0.566 176.562 175.900 0.160 0.000 1.157 661 Y CA -0.212 57.942 58.100 0.091 0.000 1.300 661 Y CB -0.406 38.050 38.460 -0.007 0.000 1.052 661 Y HN 0.015 nan 8.280 nan 0.000 0.529 662 Y N 1.811 122.250 120.300 0.232 0.000 2.392 662 Y HA 0.292 4.842 4.550 -0.000 0.000 0.323 662 Y C 0.273 176.360 175.900 0.312 0.000 1.291 662 Y CA -2.299 55.943 58.100 0.236 0.000 1.345 662 Y CB 0.420 39.041 38.460 0.269 0.000 1.320 662 Y HN 0.191 nan 8.280 nan 0.000 0.518 663 D N -0.373 119.630 120.400 -0.662 0.000 2.400 663 D HA 0.069 4.708 4.640 -0.000 0.000 0.238 663 D C 0.928 177.149 176.300 -0.132 0.000 1.157 663 D CA 0.441 54.151 54.000 -0.485 0.000 0.889 663 D CB 0.889 41.205 40.800 -0.806 0.000 1.199 663 D HN 0.484 nan 8.370 nan 0.000 0.436 664 S N 1.382 117.032 115.700 -0.083 0.000 2.356 664 S HA -0.223 4.247 4.470 -0.000 0.000 0.223 664 S C 1.913 176.525 174.600 0.020 0.000 1.032 664 S CA 1.129 59.349 58.200 0.034 0.000 1.005 664 S CB -0.961 62.272 63.200 0.056 0.000 0.867 664 S HN 0.438 nan 8.310 nan 0.000 0.449 665 V N 0.846 120.707 119.914 -0.088 0.000 2.287 665 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 665 V C 2.332 178.359 176.094 -0.111 0.000 1.053 665 V CA 2.234 64.411 62.300 -0.204 0.000 1.027 665 V CB -1.084 30.486 31.823 -0.421 0.000 0.646 665 V HN 0.619 nan 8.190 nan 0.000 0.447 666 Y N 1.236 121.481 120.300 -0.092 0.000 2.220 666 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 666 Y C 2.637 178.579 175.900 0.070 0.000 1.129 666 Y CA 2.156 60.292 58.100 0.060 0.000 1.161 666 Y CB -0.465 38.202 38.460 0.346 0.000 0.997 666 Y HN 0.222 nan 8.280 nan 0.000 0.522 667 T N 0.246 115.026 114.554 0.376 0.000 2.770 667 T HA -0.141 4.209 4.350 -0.000 0.000 0.263 667 T C 1.539 176.248 174.700 0.015 0.000 1.039 667 T CA 1.760 64.034 62.100 0.290 0.000 1.142 667 T CB -0.221 68.938 68.868 0.485 0.000 0.868 667 T HN 0.418 nan 8.240 nan 0.000 0.435 668 E N 0.781 121.006 120.200 0.041 0.000 2.204 668 E HA -0.084 4.266 4.350 -0.000 0.000 0.194 668 E C 2.310 178.813 176.600 -0.162 0.000 0.989 668 E CA 0.474 56.886 56.400 0.021 0.000 0.824 668 E CB -0.105 29.645 29.700 0.083 0.000 0.756 668 E HN 0.325 nan 8.360 nan 0.000 0.477 669 R N 0.233 120.500 120.500 -0.388 0.000 2.105 669 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 669 R C 1.260 177.040 176.300 -0.867 0.000 1.135 669 R CA 1.581 57.268 56.100 -0.688 0.000 0.967 669 R CB -0.036 29.587 30.300 -1.128 0.000 0.861 669 R HN 0.231 nan 8.270 nan 0.000 0.442 670 Y N -2.042 117.951 120.300 -0.512 0.000 2.497 670 Y HA 0.227 4.777 4.550 -0.000 0.000 0.265 670 Y C 1.622 177.336 175.900 -0.310 0.000 1.111 670 Y CA 0.077 57.858 58.100 -0.532 0.000 1.288 670 Y CB 0.534 38.573 38.460 -0.702 0.000 1.082 670 Y HN -0.013 nan 8.280 nan 0.000 0.536 671 M N -0.788 118.715 119.600 -0.163 0.000 2.279 671 M HA 0.362 4.842 4.480 -0.000 0.000 0.306 671 M C 1.050 177.363 176.300 0.022 0.000 0.965 671 M CA 0.743 55.942 55.300 -0.168 0.000 1.038 671 M CB 0.148 32.462 32.600 -0.477 0.000 1.636 671 M HN 0.323 nan 8.290 nan 0.000 0.574 672 G N 2.071 110.902 108.800 0.052 0.000 2.601 672 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.252 672 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.252 672 G C -0.471 174.565 174.900 0.226 0.000 1.294 672 G CA -0.663 44.506 45.100 0.114 0.000 0.912 672 G HN 0.349 nan 8.290 nan 0.000 0.574 673 L N 2.073 123.403 121.223 0.178 0.000 2.325 673 L HA 0.452 4.792 4.340 -0.000 0.000 0.279 673 L C -1.497 175.396 176.870 0.037 0.000 1.054 673 L CA -1.776 53.130 54.840 0.110 0.000 0.804 673 L CB 1.961 44.043 42.059 0.039 0.000 1.200 673 L HN 0.465 nan 8.230 nan 0.000 0.436 674 P HA 0.072 nan 4.420 nan 0.000 0.220 674 P C -0.555 176.598 177.300 -0.244 0.000 1.806 674 P CA -0.114 62.582 63.100 -0.673 0.000 0.976 674 P CB -0.286 30.624 31.700 -1.316 0.000 1.952 675 T N -2.171 112.331 114.554 -0.086 0.000 2.924 675 T HA 0.486 4.836 4.350 -0.000 0.000 0.291 675 T C -2.280 172.420 174.700 0.001 0.000 1.045 675 T CA -2.455 59.622 62.100 -0.039 0.000 1.015 675 T CB 1.824 70.679 68.868 -0.022 0.000 1.103 675 T HN -0.268 nan 8.240 nan 0.000 0.496 676 P HA -0.048 nan 4.420 nan 0.000 0.218 676 P C 1.019 178.334 177.300 0.025 0.000 1.149 676 P CA 0.999 64.111 63.100 0.019 0.000 0.817 676 P CB -0.021 31.686 31.700 0.011 0.000 0.785 677 E N -1.168 119.042 120.200 0.017 0.000 2.333 677 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 677 E C 1.211 177.827 176.600 0.027 0.000 1.007 677 E CA 0.959 57.369 56.400 0.017 0.000 0.845 677 E CB -0.204 29.502 29.700 0.009 0.000 0.766 677 E HN 0.330 nan 8.360 nan 0.000 0.507 678 D N -0.346 120.078 120.400 0.039 0.000 2.979 678 D HA 0.041 4.681 4.640 -0.000 0.000 0.184 678 D C 0.103 176.458 176.300 0.092 0.000 1.417 678 D CA -0.125 53.910 54.000 0.058 0.000 1.527 678 D CB -0.124 40.712 40.800 0.060 0.000 1.199 678 D HN -0.047 nan 8.370 nan 0.000 0.198 679 N N 0.790 119.577 118.700 0.145 0.000 2.351 679 N HA 0.124 4.864 4.740 -0.000 0.000 0.254 679 N C 1.364 177.069 175.510 0.325 0.000 1.241 679 N CA -0.119 53.063 53.050 0.220 0.000 0.883 679 N CB 0.805 39.437 38.487 0.241 0.000 1.202 679 N HN 0.144 nan 8.380 nan 0.000 0.512 680 L N 0.605 121.942 121.223 0.190 0.000 2.043 680 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 680 L C 1.241 178.225 176.870 0.190 0.000 1.075 680 L CA 1.799 56.728 54.840 0.148 0.000 0.752 680 L CB -0.259 41.825 42.059 0.042 0.000 0.891 680 L HN 0.290 nan 8.230 nan 0.000 0.432 681 D N -1.336 119.155 120.400 0.152 0.000 2.104 681 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 681 D C 2.014 178.401 176.300 0.145 0.000 0.994 681 D CA 1.380 55.454 54.000 0.124 0.000 0.830 681 D CB -0.414 40.446 40.800 0.100 0.000 0.959 681 D HN 0.498 nan 8.370 nan 0.000 0.452 682 H N -0.565 118.570 119.070 0.107 0.000 2.462 682 H HA -0.104 4.452 4.556 -0.000 0.000 0.292 682 H C 1.798 177.195 175.328 0.115 0.000 1.049 682 H CA 0.823 56.916 56.048 0.075 0.000 1.334 682 H CB 0.018 29.788 29.762 0.014 0.000 1.404 682 H HN 0.202 nan 8.280 nan 0.000 0.544 683 Y N 0.816 121.157 120.300 0.067 0.000 2.165 683 Y HA -0.201 4.349 4.550 -0.000 0.000 0.286 683 Y C 2.689 178.579 175.900 -0.017 0.000 1.155 683 Y CA 1.587 59.726 58.100 0.064 0.000 1.164 683 Y CB 0.065 38.576 38.460 0.085 0.000 0.978 683 Y HN 0.078 nan 8.280 nan 0.000 0.513 684 R N -0.144 120.434 120.500 0.130 0.000 2.153 684 R HA -0.033 4.307 4.340 -0.000 0.000 0.218 684 R C 1.475 177.764 176.300 -0.019 0.000 1.072 684 R CA 0.910 57.034 56.100 0.040 0.000 0.990 684 R CB -0.360 29.963 30.300 0.038 0.000 0.889 684 R HN 0.204 nan 8.270 nan 0.000 0.452 685 N N -0.663 117.997 118.700 -0.067 0.000 2.467 685 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 685 N C -0.009 175.407 175.510 -0.156 0.000 1.106 685 N CA 0.853 53.845 53.050 -0.097 0.000 0.892 685 N CB 0.388 38.824 38.487 -0.086 0.000 0.969 685 N HN 0.161 nan 8.380 nan 0.000 0.454 686 S N -1.532 114.055 115.700 -0.189 0.000 2.711 686 S HA 0.151 4.621 4.470 -0.000 0.000 0.247 686 S C 0.355 175.006 174.600 0.084 0.000 1.079 686 S CA -0.774 57.364 58.200 -0.102 0.000 1.050 686 S CB -0.444 62.607 63.200 -0.248 0.000 0.885 686 S HN 0.142 nan 8.310 nan 0.000 0.498 687 T N -1.612 112.948 114.554 0.010 0.000 2.918 687 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 687 T C 1.324 176.022 174.700 -0.002 0.000 1.001 687 T CA -0.618 61.480 62.100 -0.004 0.000 1.041 687 T CB 1.326 70.155 68.868 -0.065 0.000 1.028 687 T HN -0.035 nan 8.240 nan 0.000 0.511 688 V N 1.484 121.394 119.914 -0.006 0.000 2.427 688 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 688 V C 2.601 178.666 176.094 -0.048 0.000 1.051 688 V CA 1.564 63.846 62.300 -0.030 0.000 1.048 688 V CB -0.975 30.828 31.823 -0.033 0.000 0.666 688 V HN 0.804 nan 8.190 nan 0.000 0.456 689 M N 1.180 120.738 119.600 -0.069 0.000 2.149 689 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 689 M C 2.377 178.647 176.300 -0.051 0.000 1.064 689 M CA 2.167 57.417 55.300 -0.083 0.000 1.102 689 M CB -1.022 31.542 32.600 -0.060 0.000 1.369 689 M HN 0.535 nan 8.290 nan 0.000 0.408 690 S N -0.035 115.647 115.700 -0.030 0.000 2.469 690 S HA -0.106 4.363 4.470 -0.000 0.000 0.238 690 S C 1.727 176.329 174.600 0.003 0.000 0.998 690 S CA 0.782 58.973 58.200 -0.015 0.000 0.957 690 S CB -0.502 62.688 63.200 -0.018 0.000 0.764 690 S HN 0.558 nan 8.310 nan 0.000 0.514 691 R N 0.580 121.095 120.500 0.024 0.000 2.427 691 R HA 0.455 4.794 4.340 -0.000 0.000 0.262 691 R C 2.144 178.542 176.300 0.164 0.000 0.943 691 R CA 0.418 56.561 56.100 0.071 0.000 1.081 691 R CB -0.263 30.079 30.300 0.071 0.000 1.166 691 R HN 0.475 nan 8.270 nan 0.000 0.534 692 A N 2.362 125.222 122.820 0.067 0.000 1.903 692 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 692 A C 1.875 179.536 177.584 0.129 0.000 1.191 692 A CA 1.595 53.639 52.037 0.012 0.000 0.638 692 A CB -0.256 18.689 19.000 -0.091 0.000 0.823 692 A HN 0.379 nan 8.150 nan 0.000 0.451 693 E N -0.074 120.178 120.200 0.086 0.000 2.130 693 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 693 E C 1.234 177.894 176.600 0.101 0.000 0.998 693 E CA 1.196 57.644 56.400 0.079 0.000 0.806 693 E CB -0.422 29.306 29.700 0.046 0.000 0.738 693 E HN 0.592 nan 8.360 nan 0.000 0.459 694 N N 0.207 118.965 118.700 0.096 0.000 2.550 694 N HA -0.049 4.691 4.740 -0.000 0.000 0.186 694 N C 1.023 176.525 175.510 -0.014 0.000 1.110 694 N CA 0.525 53.585 53.050 0.016 0.000 0.912 694 N CB -0.090 38.358 38.487 -0.064 0.000 0.968 694 N HN 0.141 nan 8.380 nan 0.000 0.448 695 F N 1.870 121.778 119.950 -0.070 0.000 2.748 695 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 695 F C 2.145 177.949 175.800 0.007 0.000 1.154 695 F CA 0.410 58.363 58.000 -0.079 0.000 1.446 695 F CB 0.069 38.974 39.000 -0.159 0.000 1.112 695 F HN 0.098 nan 8.300 nan 0.000 0.584 696 K N 0.315 120.818 120.400 0.172 0.000 2.283 696 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 696 K C 1.158 177.817 176.600 0.099 0.000 1.048 696 K CA 1.422 57.789 56.287 0.133 0.000 0.948 696 K CB -0.500 32.060 32.500 0.100 0.000 0.742 696 K HN 0.347 nan 8.250 nan 0.000 0.458 697 Q N 1.388 121.226 119.800 0.063 0.000 2.444 697 Q HA 0.062 4.402 4.340 -0.000 0.000 0.206 697 Q C 0.490 176.527 176.000 0.061 0.000 0.948 697 Q CA 0.202 56.033 55.803 0.047 0.000 0.946 697 Q CB 0.574 29.322 28.738 0.016 0.000 1.027 697 Q HN 0.351 nan 8.270 nan 0.000 0.513 698 V N -3.347 116.618 119.914 0.085 0.000 3.130 698 V HA 0.478 4.598 4.120 -0.000 0.000 0.310 698 V C -1.234 174.989 176.094 0.215 0.000 1.158 698 V CA -1.363 61.010 62.300 0.121 0.000 1.029 698 V CB 2.282 34.136 31.823 0.053 0.000 1.057 698 V HN -0.051 nan 8.190 nan 0.000 0.436 699 E N 1.339 121.696 120.200 0.261 0.000 2.134 699 E HA 0.487 4.837 4.350 -0.000 0.000 0.278 699 E C -1.854 175.087 176.600 0.567 0.000 0.959 699 E CA -0.368 56.254 56.400 0.371 0.000 0.783 699 E CB 1.761 31.622 29.700 0.268 0.000 1.095 699 E HN 0.675 nan 8.360 nan 0.000 0.399 700 Y N 3.324 123.863 120.300 0.398 0.000 2.364 700 Y HA 0.462 5.012 4.550 -0.000 0.000 0.340 700 Y C -1.596 174.382 175.900 0.131 0.000 0.975 700 Y CA -1.515 56.764 58.100 0.299 0.000 1.089 700 Y CB 1.054 39.724 38.460 0.349 0.000 1.192 700 Y HN 0.421 nan 8.280 nan 0.000 0.454 701 L N 7.580 128.555 121.223 -0.415 0.000 2.333 701 L HA 0.638 4.978 4.340 -0.000 0.000 0.280 701 L C -2.108 174.329 176.870 -0.722 0.000 1.004 701 L CA -0.826 53.619 54.840 -0.658 0.000 0.820 701 L CB 1.387 42.752 42.059 -1.157 0.000 1.247 701 L HN 0.647 nan 8.230 nan 0.000 0.416 702 L N 6.607 127.493 121.223 -0.562 0.000 2.356 702 L HA 0.729 5.069 4.340 -0.000 0.000 0.277 702 L C -1.337 175.400 176.870 -0.223 0.000 0.996 702 L CA -0.037 54.505 54.840 -0.496 0.000 0.822 702 L CB 1.348 43.108 42.059 -0.499 0.000 1.256 702 L HN 0.596 nan 8.230 nan 0.000 0.413 703 I N 4.388 124.835 120.570 -0.205 0.000 2.582 703 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 703 I C -1.132 174.947 176.117 -0.064 0.000 1.066 703 I CA -0.625 60.613 61.300 -0.103 0.000 1.053 703 I CB 2.100 40.003 38.000 -0.162 0.000 1.241 703 I HN 0.685 nan 8.210 nan 0.000 0.421 704 H N 2.101 121.209 119.070 0.063 0.000 3.085 704 H HA 0.537 5.093 4.556 -0.000 0.000 0.356 704 H C -0.412 175.141 175.328 0.375 0.000 1.178 704 H CA -0.645 55.486 56.048 0.137 0.000 1.214 704 H CB 2.125 31.889 29.762 0.003 0.000 1.881 704 H HN 0.750 nan 8.280 nan 0.000 0.538 705 G N 0.571 109.730 108.800 0.598 0.000 2.372 705 G HA2 0.250 4.210 3.960 -0.000 0.000 0.283 705 G HA3 0.250 4.210 3.960 -0.000 0.000 0.283 705 G C 1.032 176.209 174.900 0.462 0.000 1.177 705 G CA 0.086 45.481 45.100 0.491 0.000 0.842 705 G HN 0.727 nan 8.290 nan 0.000 0.503 706 T N -0.863 113.834 114.554 0.238 0.000 3.067 706 T HA 0.162 4.512 4.350 -0.000 0.000 0.261 706 T C 1.644 176.330 174.700 -0.024 0.000 1.110 706 T CA 1.051 63.115 62.100 -0.060 0.000 1.113 706 T CB 0.270 68.992 68.868 -0.243 0.000 0.917 706 T HN 0.644 nan 8.240 nan 0.000 0.499 707 A N 1.220 124.096 122.820 0.094 0.000 2.684 707 A HA 0.307 4.627 4.320 -0.000 0.000 0.288 707 A C 0.383 177.919 177.584 -0.080 0.000 1.337 707 A CA -0.510 51.557 52.037 0.050 0.000 0.946 707 A CB -0.388 18.900 19.000 0.480 0.000 1.093 707 A HN 0.340 nan 8.150 nan 0.000 0.543 708 D N 1.618 121.981 120.400 -0.062 0.000 2.348 708 D HA -0.004 4.636 4.640 -0.000 0.000 0.259 708 D C 0.417 176.670 176.300 -0.079 0.000 1.296 708 D CA 0.076 54.138 54.000 0.103 0.000 0.931 708 D CB 0.599 41.604 40.800 0.342 0.000 1.067 708 D HN 0.569 nan 8.370 nan 0.000 0.503 709 D N 2.063 122.477 120.400 0.023 0.000 2.347 709 D HA -0.120 4.520 4.640 -0.000 0.000 0.215 709 D C 1.005 177.333 176.300 0.046 0.000 0.976 709 D CA 0.244 54.234 54.000 -0.016 0.000 0.884 709 D CB 0.300 41.071 40.800 -0.050 0.000 0.915 709 D HN 0.452 nan 8.370 nan 0.000 0.526 710 N N -0.003 118.797 118.700 0.168 0.000 2.426 710 N HA -0.021 4.718 4.740 -0.000 0.000 0.205 710 N C -0.243 175.234 175.510 -0.055 0.000 1.040 710 N CA 0.060 53.231 53.050 0.202 0.000 0.990 710 N CB 0.765 39.369 38.487 0.194 0.000 1.215 710 N HN -0.183 nan 8.380 nan 0.000 0.491 711 V N 2.526 122.377 119.914 -0.106 0.000 2.320 711 V HA 0.192 4.312 4.120 -0.000 0.000 0.265 711 V C -0.792 175.341 176.094 0.066 0.000 1.048 711 V CA -0.283 61.992 62.300 -0.041 0.000 0.865 711 V CB -0.108 31.710 31.823 -0.009 0.000 1.043 711 V HN 0.339 nan 8.190 nan 0.000 0.474 712 H N 3.188 122.224 119.070 -0.056 0.000 2.871 712 H HA -0.018 4.538 4.556 -0.000 0.000 0.355 712 H C 0.807 175.967 175.328 -0.280 0.000 1.092 712 H CA -0.009 55.921 56.048 -0.195 0.000 1.420 712 H CB 0.847 30.420 29.762 -0.316 0.000 1.400 712 H HN 0.645 nan 8.280 nan 0.000 0.604 713 F N 1.936 121.675 119.950 -0.352 0.000 2.202 713 F HA -0.282 4.245 4.527 -0.000 0.000 0.301 713 F C 2.611 178.127 175.800 -0.472 0.000 1.082 713 F CA 1.636 59.241 58.000 -0.658 0.000 1.313 713 F CB -0.165 38.622 39.000 -0.355 0.000 1.024 713 F HN 0.672 nan 8.300 nan 0.000 0.495 714 Q N 0.288 119.971 119.800 -0.195 0.000 2.182 714 Q HA -0.357 3.983 4.340 -0.000 0.000 0.213 714 Q C 2.081 177.824 176.000 -0.427 0.000 1.000 714 Q CA 2.552 58.170 55.803 -0.307 0.000 0.889 714 Q CB -0.426 28.082 28.738 -0.383 0.000 0.932 714 Q HN 0.607 nan 8.270 nan 0.000 0.415 715 Q N -0.395 119.183 119.800 -0.370 0.000 2.061 715 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 715 Q C 2.286 178.178 176.000 -0.179 0.000 0.984 715 Q CA 1.782 57.493 55.803 -0.153 0.000 0.846 715 Q CB -0.109 28.630 28.738 0.002 0.000 0.902 715 Q HN 0.351 nan 8.270 nan 0.000 0.421 716 S N 0.455 115.939 115.700 -0.360 0.000 2.436 716 S HA 0.006 4.475 4.470 -0.000 0.000 0.228 716 S C 1.956 176.317 174.600 -0.398 0.000 1.014 716 S CA 0.648 58.658 58.200 -0.317 0.000 0.950 716 S CB -0.027 62.994 63.200 -0.298 0.000 0.784 716 S HN 0.445 nan 8.310 nan 0.000 0.504 717 A N 1.410 123.909 122.820 -0.534 0.000 1.933 717 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 717 A C 2.112 179.598 177.584 -0.163 0.000 1.175 717 A CA 1.048 52.894 52.037 -0.317 0.000 0.628 717 A CB -0.387 18.498 19.000 -0.192 0.000 0.814 717 A HN 0.363 nan 8.150 nan 0.000 0.444 718 Q N -0.464 119.248 119.800 -0.146 0.000 2.230 718 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 718 Q C 2.071 178.021 176.000 -0.084 0.000 0.963 718 Q CA 0.952 56.721 55.803 -0.057 0.000 0.866 718 Q CB -0.298 28.479 28.738 0.064 0.000 0.931 718 Q HN 0.783 nan 8.270 nan 0.000 0.452 719 I N 1.101 121.592 120.570 -0.131 0.000 2.202 719 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 719 I C 2.547 178.493 176.117 -0.286 0.000 1.091 719 I CA 1.467 62.645 61.300 -0.204 0.000 1.368 719 I CB -0.412 37.473 38.000 -0.192 0.000 1.058 719 I HN 0.179 nan 8.210 nan 0.000 0.410 720 S N 0.765 116.326 115.700 -0.232 0.000 2.382 720 S HA -0.272 4.198 4.470 -0.000 0.000 0.228 720 S C 2.042 176.623 174.600 -0.033 0.000 1.027 720 S CA 1.337 59.440 58.200 -0.161 0.000 0.991 720 S CB -0.470 62.800 63.200 0.117 0.000 0.823 720 S HN 0.382 nan 8.310 nan 0.000 0.469 721 K N 1.594 121.973 120.400 -0.036 0.000 2.057 721 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 721 K C 2.313 178.896 176.600 -0.029 0.000 1.049 721 K CA 1.225 57.507 56.287 -0.008 0.000 0.931 721 K CB -0.585 31.906 32.500 -0.014 0.000 0.714 721 K HN 0.476 nan 8.250 nan 0.000 0.440 722 A N 1.062 123.832 122.820 -0.083 0.000 1.897 722 A HA -0.059 4.261 4.320 -0.000 0.000 0.215 722 A C 2.079 179.600 177.584 -0.104 0.000 1.181 722 A CA 0.967 52.951 52.037 -0.089 0.000 0.620 722 A CB -0.491 18.439 19.000 -0.116 0.000 0.821 722 A HN 0.285 nan 8.150 nan 0.000 0.443 723 L N -0.481 120.627 121.223 -0.193 0.000 2.083 723 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 723 L C 2.493 179.394 176.870 0.053 0.000 1.083 723 L CA 1.020 55.759 54.840 -0.168 0.000 0.752 723 L CB -0.588 41.181 42.059 -0.483 0.000 0.899 723 L HN 0.238 nan 8.230 nan 0.000 0.433 724 V N -0.331 119.647 119.914 0.108 0.000 2.307 724 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 724 V C 2.060 178.194 176.094 0.065 0.000 1.045 724 V CA 1.803 64.182 62.300 0.132 0.000 1.024 724 V CB -0.519 31.382 31.823 0.130 0.000 0.651 724 V HN 0.427 nan 8.190 nan 0.000 0.449 725 D N -0.235 120.185 120.400 0.033 0.000 2.228 725 D HA -0.129 4.511 4.640 -0.000 0.000 0.203 725 D C 1.733 178.047 176.300 0.024 0.000 0.988 725 D CA 1.140 55.153 54.000 0.022 0.000 0.864 725 D CB -0.015 40.789 40.800 0.007 0.000 0.928 725 D HN 0.357 nan 8.370 nan 0.000 0.469 726 V N -0.494 119.436 119.914 0.027 0.000 3.542 726 V HA 0.211 4.331 4.120 -0.000 0.000 0.296 726 V C 1.207 177.332 176.094 0.051 0.000 1.364 726 V CA 0.678 62.997 62.300 0.032 0.000 1.118 726 V CB 0.194 32.029 31.823 0.020 0.000 0.972 726 V HN 0.352 nan 8.190 nan 0.000 0.430 727 G N 0.863 109.702 108.800 0.065 0.000 2.221 727 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.265 727 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.265 727 G C 0.059 175.020 174.900 0.100 0.000 1.041 727 G CA 0.429 45.574 45.100 0.075 0.000 0.807 727 G HN 0.444 nan 8.290 nan 0.000 0.502 728 V N 0.258 120.256 119.914 0.140 0.000 2.427 728 V HA 0.503 4.623 4.120 -0.000 0.000 0.286 728 V C 0.313 176.586 176.094 0.298 0.000 1.034 728 V CA -0.562 61.853 62.300 0.191 0.000 0.893 728 V CB 1.828 33.758 31.823 0.179 0.000 0.982 728 V HN 0.404 nan 8.190 nan 0.000 0.452 729 D N 3.696 124.241 120.400 0.241 0.000 2.255 729 D HA 0.650 5.290 4.640 -0.000 0.000 0.249 729 D C -0.667 175.845 176.300 0.353 0.000 1.078 729 D CA 0.097 54.215 54.000 0.197 0.000 0.896 729 D CB 0.935 41.786 40.800 0.087 0.000 1.194 729 D HN 0.357 nan 8.370 nan 0.000 0.429 730 F N -0.395 119.630 119.950 0.125 0.000 2.741 730 F HA 0.463 4.990 4.527 -0.000 0.000 0.313 730 F C -1.518 174.340 175.800 0.097 0.000 1.153 730 F CA -1.111 56.988 58.000 0.164 0.000 0.931 730 F CB 0.787 39.919 39.000 0.219 0.000 1.335 730 F HN 0.125 nan 8.300 nan 0.000 0.460 731 Q N 1.396 121.297 119.800 0.167 0.000 2.257 731 Q HA 0.843 5.182 4.340 -0.000 0.000 0.262 731 Q C -1.030 174.994 176.000 0.040 0.000 0.997 731 Q CA -1.066 54.744 55.803 0.012 0.000 0.873 731 Q CB 2.432 31.202 28.738 0.053 0.000 1.312 731 Q HN 1.057 nan 8.270 nan 0.000 0.450 732 A N 1.971 124.786 122.820 -0.009 0.000 2.556 732 A HA 0.847 5.167 4.320 -0.000 0.000 0.294 732 A C -1.197 176.360 177.584 -0.044 0.000 1.091 732 A CA -0.620 51.435 52.037 0.029 0.000 0.704 732 A CB 2.045 21.128 19.000 0.140 0.000 1.300 732 A HN 0.585 nan 8.150 nan 0.000 0.406 733 M N 1.598 121.154 119.600 -0.074 0.000 2.274 733 M HA 0.286 4.766 4.480 -0.000 0.000 0.272 733 M C -1.818 174.379 176.300 -0.170 0.000 1.053 733 M CA -0.335 54.789 55.300 -0.295 0.000 0.978 733 M CB 1.427 33.784 32.600 -0.404 0.000 1.836 733 M HN 0.942 nan 8.290 nan 0.000 0.484 734 W N 3.933 125.102 121.300 -0.219 0.000 2.375 734 W HA 0.717 5.377 4.660 -0.000 0.000 0.336 734 W C -1.833 174.434 176.519 -0.420 0.000 1.160 734 W CA -0.647 56.642 57.345 -0.092 0.000 1.266 734 W CB 0.248 29.711 29.460 0.005 0.000 1.195 734 W HN 0.538 nan 8.180 nan 0.000 0.599 735 Y N 2.242 122.660 120.300 0.196 0.000 2.376 735 Y HA 0.283 4.833 4.550 -0.000 0.000 0.326 735 Y C 0.484 176.489 175.900 0.174 0.000 0.970 735 Y CA -1.088 57.035 58.100 0.039 0.000 1.248 735 Y CB 1.360 39.811 38.460 -0.015 0.000 1.117 735 Y HN 0.422 nan 8.280 nan 0.000 0.476 736 T N 4.711 119.423 114.554 0.264 0.000 2.822 736 T HA -0.040 4.310 4.350 -0.000 0.000 0.288 736 T C 0.221 174.998 174.700 0.129 0.000 0.991 736 T CA 0.793 63.009 62.100 0.194 0.000 1.176 736 T CB -0.159 68.766 68.868 0.095 0.000 0.951 736 T HN 0.714 nan 8.240 nan 0.000 0.526 737 D N 1.026 121.481 120.400 0.093 0.000 3.077 737 D HA -0.124 4.516 4.640 -0.000 0.000 0.217 737 D C 0.295 176.713 176.300 0.196 0.000 1.162 737 D CA 1.116 55.109 54.000 -0.010 0.000 0.943 737 D CB -0.341 40.258 40.800 -0.336 0.000 1.122 737 D HN 0.566 nan 8.370 nan 0.000 0.413 738 E N 0.862 121.202 120.200 0.234 0.000 2.277 738 E HA 0.324 4.674 4.350 -0.000 0.000 0.274 738 E C 0.730 177.509 176.600 0.299 0.000 1.022 738 E CA -0.332 56.226 56.400 0.262 0.000 0.853 738 E CB 1.269 31.113 29.700 0.240 0.000 1.086 738 E HN 0.322 nan 8.360 nan 0.000 0.397 739 D N -0.406 120.183 120.400 0.314 0.000 2.530 739 D HA -0.003 4.637 4.640 -0.000 0.000 0.282 739 D C 1.087 177.628 176.300 0.400 0.000 1.204 739 D CA -0.186 54.025 54.000 0.352 0.000 1.093 739 D CB -0.123 40.904 40.800 0.380 0.000 1.154 739 D HN 0.363 nan 8.370 nan 0.000 0.593 740 H N -1.445 117.813 119.070 0.312 0.000 2.460 740 H HA 0.033 4.589 4.556 -0.000 0.000 0.297 740 H C 1.908 177.493 175.328 0.429 0.000 1.103 740 H CA 2.217 58.475 56.048 0.350 0.000 1.292 740 H CB -0.432 29.517 29.762 0.311 0.000 1.376 740 H HN 0.526 nan 8.280 nan 0.000 0.531 741 G N -0.502 108.495 108.800 0.328 0.000 2.683 741 G HA2 0.004 3.964 3.960 -0.000 0.000 0.213 741 G HA3 0.004 3.964 3.960 -0.000 0.000 0.213 741 G C 0.663 175.764 174.900 0.335 0.000 1.142 741 G CA 0.277 45.496 45.100 0.198 0.000 0.793 741 G HN 0.501 nan 8.290 nan 0.000 0.534 742 I N 0.149 120.925 120.570 0.343 0.000 5.115 742 I HA -0.334 3.836 4.170 -0.000 0.000 0.126 742 I C 1.605 177.853 176.117 0.218 0.000 1.316 742 I CA 0.136 61.580 61.300 0.239 0.000 2.641 742 I CB -1.037 37.058 38.000 0.157 0.000 2.272 742 I HN 0.255 nan 8.210 nan 0.000 0.321 743 A N 1.189 124.111 122.820 0.171 0.000 2.348 743 A HA 0.258 4.578 4.320 -0.000 0.000 0.224 743 A C 1.222 178.852 177.584 0.076 0.000 1.227 743 A CA 0.560 52.660 52.037 0.106 0.000 0.885 743 A CB 0.141 19.168 19.000 0.045 0.000 0.933 743 A HN 0.649 nan 8.150 nan 0.000 0.506 744 S N -0.132 115.629 115.700 0.102 0.000 2.566 744 S HA 0.087 4.557 4.470 -0.000 0.000 0.280 744 S C 1.208 175.859 174.600 0.084 0.000 1.343 744 S CA 0.387 58.639 58.200 0.087 0.000 1.036 744 S CB 0.936 64.197 63.200 0.101 0.000 0.866 744 S HN 0.537 nan 8.310 nan 0.000 0.526 745 S N 2.034 117.770 115.700 0.060 0.000 2.374 745 S HA -0.174 4.296 4.470 -0.000 0.000 0.227 745 S C 1.991 176.649 174.600 0.097 0.000 1.037 745 S CA 2.084 60.320 58.200 0.060 0.000 1.024 745 S CB -1.455 61.763 63.200 0.029 0.000 0.861 745 S HN 1.033 nan 8.310 nan 0.000 0.456 746 T N -0.626 113.980 114.554 0.087 0.000 2.896 746 T HA 0.301 4.650 4.350 -0.000 0.000 0.263 746 T C 1.995 176.764 174.700 0.114 0.000 1.050 746 T CA 0.989 63.147 62.100 0.096 0.000 1.140 746 T CB -0.759 68.163 68.868 0.089 0.000 0.877 746 T HN 0.430 nan 8.240 nan 0.000 0.457 747 A N 1.470 124.338 122.820 0.081 0.000 1.930 747 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 747 A C 2.172 179.727 177.584 -0.048 0.000 1.175 747 A CA 1.897 53.917 52.037 -0.028 0.000 0.627 747 A CB -1.171 17.768 19.000 -0.100 0.000 0.815 747 A HN 0.737 nan 8.150 nan 0.000 0.443 748 H N -0.108 118.955 119.070 -0.011 0.000 2.353 748 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 748 H C 2.085 177.485 175.328 0.119 0.000 1.090 748 H CA 2.299 58.393 56.048 0.077 0.000 1.327 748 H CB -0.165 29.639 29.762 0.070 0.000 1.383 748 H HN 0.577 nan 8.280 nan 0.000 0.508 749 Q N -1.283 118.543 119.800 0.044 0.000 2.119 749 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 749 Q C 2.087 178.087 176.000 0.000 0.000 0.972 749 Q CA 1.553 57.337 55.803 -0.032 0.000 0.847 749 Q CB -0.138 28.604 28.738 0.007 0.000 0.903 749 Q HN 0.704 nan 8.270 nan 0.000 0.433 750 H N 0.312 119.354 119.070 -0.046 0.000 2.363 750 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 750 H C 2.064 177.368 175.328 -0.040 0.000 1.074 750 H CA 1.180 57.224 56.048 -0.007 0.000 1.354 750 H CB 0.161 29.963 29.762 0.067 0.000 1.397 750 H HN 0.202 nan 8.280 nan 0.000 0.516 751 I N -0.099 120.463 120.570 -0.014 0.000 2.179 751 I HA -0.321 3.849 4.170 -0.000 0.000 0.242 751 I C 1.346 177.263 176.117 -0.334 0.000 1.088 751 I CA 1.358 62.541 61.300 -0.195 0.000 1.357 751 I CB -0.123 37.556 38.000 -0.536 0.000 1.051 751 I HN 0.340 nan 8.210 nan 0.000 0.409 752 Y N 0.842 120.948 120.300 -0.323 0.000 2.352 752 Y HA -0.202 4.348 4.550 -0.000 0.000 0.292 752 Y C 2.678 178.416 175.900 -0.270 0.000 1.136 752 Y CA 1.730 59.540 58.100 -0.483 0.000 1.227 752 Y CB -0.759 37.411 38.460 -0.484 0.000 0.991 752 Y HN 0.164 nan 8.280 nan 0.000 0.545 753 T N -1.764 112.755 114.554 -0.059 0.000 2.777 753 T HA -0.206 4.144 4.350 -0.000 0.000 0.266 753 T C 1.528 176.156 174.700 -0.120 0.000 1.040 753 T CA 1.784 63.808 62.100 -0.127 0.000 1.141 753 T CB -0.338 68.444 68.868 -0.144 0.000 0.868 753 T HN 0.394 nan 8.240 nan 0.000 0.444 754 H N 0.852 119.874 119.070 -0.080 0.000 2.333 754 H HA 0.192 4.748 4.556 -0.000 0.000 0.302 754 H C 2.130 177.477 175.328 0.032 0.000 1.075 754 H CA 1.389 57.459 56.048 0.038 0.000 1.348 754 H CB -0.219 29.591 29.762 0.079 0.000 1.393 754 H HN 0.240 nan 8.280 nan 0.000 0.509 755 M N -0.774 118.790 119.600 -0.060 0.000 2.229 755 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 755 M C 2.279 178.714 176.300 0.225 0.000 1.063 755 M CA 1.265 56.510 55.300 -0.091 0.000 1.114 755 M CB 0.072 32.348 32.600 -0.540 0.000 1.387 755 M HN 0.193 nan 8.290 nan 0.000 0.420 756 S N -0.553 115.305 115.700 0.263 0.000 2.355 756 S HA -0.139 4.331 4.470 -0.000 0.000 0.222 756 S C 1.691 176.411 174.600 0.201 0.000 1.031 756 S CA 0.963 59.407 58.200 0.408 0.000 0.993 756 S CB -0.585 62.851 63.200 0.392 0.000 0.859 756 S HN 0.461 nan 8.310 nan 0.000 0.453 757 H N 0.374 119.536 119.070 0.152 0.000 2.289 757 H HA -0.098 4.458 4.556 -0.000 0.000 0.296 757 H C 1.981 177.334 175.328 0.042 0.000 1.091 757 H CA 1.527 57.615 56.048 0.067 0.000 1.274 757 H CB -0.927 28.840 29.762 0.008 0.000 1.364 757 H HN 0.426 nan 8.280 nan 0.000 0.490 758 F N 1.060 121.008 119.950 -0.002 0.000 2.069 758 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 758 F C 2.563 178.322 175.800 -0.068 0.000 1.113 758 F CA 1.251 59.210 58.000 -0.069 0.000 1.214 758 F CB -0.580 38.344 39.000 -0.125 0.000 0.978 758 F HN -0.009 nan 8.300 nan 0.000 0.474 759 I N 0.120 120.719 120.570 0.049 0.000 2.315 759 I HA -0.289 3.881 4.170 -0.000 0.000 0.248 759 I C 2.347 178.311 176.117 -0.255 0.000 1.117 759 I CA 1.192 62.357 61.300 -0.226 0.000 1.404 759 I CB -0.469 37.473 38.000 -0.098 0.000 1.071 759 I HN 0.098 nan 8.210 nan 0.000 0.419 760 K N 0.682 121.064 120.400 -0.030 0.000 2.057 760 K HA -0.247 4.073 4.320 -0.000 0.000 0.207 760 K C 2.149 178.754 176.600 0.008 0.000 1.049 760 K CA 1.846 58.162 56.287 0.049 0.000 0.931 760 K CB -0.251 32.323 32.500 0.123 0.000 0.714 760 K HN 0.428 nan 8.250 nan 0.000 0.440 761 Q N 0.773 120.534 119.800 -0.066 0.000 2.119 761 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 761 Q C 2.229 178.140 176.000 -0.148 0.000 0.972 761 Q CA 1.710 57.456 55.803 -0.095 0.000 0.847 761 Q CB -1.166 27.502 28.738 -0.116 0.000 0.903 761 Q HN 0.272 nan 8.270 nan 0.000 0.433 762 c N -0.353 118.054 118.600 -0.323 0.000 2.411 762 c HA -0.033 4.537 4.570 -0.000 0.000 0.279 762 c C 1.433 175.538 174.090 0.026 0.000 1.288 762 c CA 0.522 56.673 56.329 -0.297 0.000 1.764 762 c CB -1.162 41.004 42.510 -0.572 0.000 1.974 762 c HN 0.621 nan 8.230 nan 0.000 0.498 763 F N 1.520 121.432 119.950 -0.063 0.000 2.641 763 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 763 F C 1.534 177.320 175.800 -0.023 0.000 1.098 763 F CA 0.144 58.127 58.000 -0.028 0.000 1.318 763 F CB -1.128 37.864 39.000 -0.014 0.000 1.035 763 F HN 0.178 nan 8.300 nan 0.000 0.551 764 S N 1.042 116.822 115.700 0.134 0.000 3.559 764 S HA -0.223 4.246 4.470 -0.000 0.000 0.369 764 S C -0.017 174.625 174.600 0.070 0.000 0.987 764 S CA 0.191 58.433 58.200 0.070 0.000 1.187 764 S CB -2.105 61.124 63.200 0.048 0.000 0.914 764 S HN 0.251 nan 8.310 nan 0.000 0.480 765 L N 0.975 122.253 121.223 0.091 0.000 2.272 765 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 765 L C -1.531 175.381 176.870 0.071 0.000 1.032 765 L CA -2.158 52.730 54.840 0.081 0.000 0.810 765 L CB 0.786 42.910 42.059 0.107 0.000 1.205 765 L HN 0.030 nan 8.230 nan 0.000 0.422 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.057 0.000 0.800 766 P CB 0.000 31.726 31.700 0.044 0.000 0.726