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 3c45_1_B DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY 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 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.739 174.700 0.064 0.000 1.109 39 T CA 0.000 62.131 62.100 0.051 0.000 1.349 39 T CB 0.000 68.897 68.868 0.048 0.000 0.612 40 R N 2.321 122.866 120.500 0.075 0.000 2.623 40 R HA 0.226 4.564 4.340 -0.003 0.000 0.271 40 R C 1.046 177.400 176.300 0.090 0.000 1.043 40 R CA -0.334 55.815 56.100 0.080 0.000 1.083 40 R CB 0.673 31.020 30.300 0.079 0.000 0.974 40 R HN 0.628 nan 8.270 nan 0.000 0.436 41 K N 0.574 121.032 120.400 0.096 0.000 2.149 41 K HA 0.133 4.451 4.320 -0.003 0.000 0.245 41 K C 0.086 176.758 176.600 0.119 0.000 1.024 41 K CA -0.440 55.912 56.287 0.108 0.000 0.899 41 K CB 0.478 33.051 32.500 0.122 0.000 1.038 41 K HN 0.628 nan 8.250 nan 0.000 0.496 42 T N -2.573 112.060 114.554 0.133 0.000 2.919 42 T HA 0.179 4.527 4.350 -0.003 0.000 0.282 42 T C -0.839 173.989 174.700 0.213 0.000 1.020 42 T CA -0.807 61.383 62.100 0.151 0.000 0.994 42 T CB 0.540 69.493 68.868 0.140 0.000 1.180 42 T HN 0.534 nan 8.240 nan 0.000 0.566 43 Y N 2.586 122.951 120.300 0.108 0.000 2.556 43 Y HA 0.388 4.936 4.550 -0.003 0.000 0.352 43 Y C 0.935 176.990 175.900 0.259 0.000 1.006 43 Y CA -0.460 57.740 58.100 0.167 0.000 1.277 43 Y CB -0.314 38.203 38.460 0.095 0.000 1.136 43 Y HN 0.999 nan 8.280 nan 0.000 0.523 44 T N 2.086 116.634 114.554 -0.010 0.000 2.824 44 T HA 0.123 4.471 4.350 -0.003 0.000 0.277 44 T C 1.039 175.616 174.700 -0.204 0.000 0.975 44 T CA -0.692 61.439 62.100 0.053 0.000 0.966 44 T CB 1.148 70.020 68.868 0.006 0.000 1.054 44 T HN 0.662 nan 8.240 nan 0.000 0.533 45 L N 0.987 121.911 121.223 -0.499 0.000 2.017 45 L HA 0.006 4.344 4.340 -0.003 0.000 0.208 45 L C 2.681 179.390 176.870 -0.268 0.000 1.073 45 L CA 2.177 56.597 54.840 -0.699 0.000 0.745 45 L CB -1.483 40.061 42.059 -0.857 0.000 0.894 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.607 113.820 114.554 -0.211 0.000 2.833 46 T HA -0.162 4.186 4.350 -0.003 0.000 0.269 46 T C 1.487 176.096 174.700 -0.151 0.000 1.054 46 T CA 1.402 63.415 62.100 -0.144 0.000 1.135 46 T CB -0.389 68.418 68.868 -0.102 0.000 0.869 46 T HN 0.398 nan 8.240 nan 0.000 0.466 47 D N 0.109 120.382 120.400 -0.212 0.000 2.117 47 D HA -0.087 4.551 4.640 -0.003 0.000 0.197 47 D C 1.736 177.938 176.300 -0.163 0.000 0.987 47 D CA 1.024 54.872 54.000 -0.253 0.000 0.829 47 D CB -0.356 40.189 40.800 -0.425 0.000 0.961 47 D HN 0.421 nan 8.370 nan 0.000 0.460 48 Y N 1.544 121.650 120.300 -0.323 0.000 2.133 48 Y HA -0.092 4.456 4.550 -0.003 0.000 0.287 48 Y C 2.181 178.091 175.900 0.016 0.000 1.134 48 Y CA 1.248 59.341 58.100 -0.011 0.000 1.133 48 Y CB -0.623 37.890 38.460 0.088 0.000 0.987 48 Y HN -0.109 nan 8.280 nan 0.000 0.502 49 L N 0.030 121.104 121.223 -0.249 0.000 2.201 49 L HA -0.154 4.184 4.340 -0.003 0.000 0.212 49 L C 1.838 178.616 176.870 -0.154 0.000 1.105 49 L CA 1.184 55.853 54.840 -0.285 0.000 0.775 49 L CB -0.450 41.501 42.059 -0.180 0.000 0.913 49 L HN 0.086 nan 8.230 nan 0.000 0.440 50 K N -0.263 120.066 120.400 -0.118 0.000 2.374 50 K HA 0.065 4.383 4.320 -0.003 0.000 0.196 50 K C 0.262 176.818 176.600 -0.073 0.000 1.023 50 K CA -0.066 56.169 56.287 -0.086 0.000 1.103 50 K CB -0.247 32.202 32.500 -0.085 0.000 0.848 50 K HN 0.270 nan 8.250 nan 0.000 0.528 51 N N 1.947 120.614 118.700 -0.056 0.000 2.738 51 N HA -0.217 4.521 4.740 -0.003 0.000 0.249 51 N C 0.645 176.144 175.510 -0.019 0.000 1.047 51 N CA 0.577 53.631 53.050 0.006 0.000 0.707 51 N CB -0.427 38.054 38.487 -0.010 0.000 0.937 51 N HN 0.381 nan 8.380 nan 0.000 0.545 52 T N -2.701 111.794 114.554 -0.098 0.000 2.821 52 T HA -0.140 4.208 4.350 -0.003 0.000 0.267 52 T C 0.653 175.160 174.700 -0.322 0.000 1.046 52 T CA 1.089 63.028 62.100 -0.269 0.000 1.139 52 T CB -0.180 68.412 68.868 -0.461 0.000 0.871 52 T HN 0.329 nan 8.240 nan 0.000 0.454 53 Y N 1.986 122.382 120.300 0.160 0.000 2.595 53 Y HA 0.573 5.121 4.550 -0.003 0.000 0.336 53 Y C 0.554 176.557 175.900 0.173 0.000 0.996 53 Y CA -1.469 56.744 58.100 0.188 0.000 1.260 53 Y CB 0.500 39.132 38.460 0.287 0.000 1.108 53 Y HN 0.051 nan 8.280 nan 0.000 0.509 54 R N 2.625 123.255 120.500 0.216 0.000 2.254 54 R HA 0.432 4.770 4.340 -0.003 0.000 0.318 54 R C -1.091 175.312 176.300 0.172 0.000 1.031 54 R CA -0.856 55.342 56.100 0.163 0.000 0.905 54 R CB 0.576 30.931 30.300 0.092 0.000 1.050 54 R HN 0.539 nan 8.270 nan 0.000 0.456 55 L N 4.273 125.600 121.223 0.172 0.000 2.367 55 L HA 0.223 4.561 4.340 -0.003 0.000 0.275 55 L C -0.030 176.919 176.870 0.132 0.000 1.129 55 L CA 0.668 55.614 54.840 0.177 0.000 0.839 55 L CB 0.892 43.069 42.059 0.197 0.000 1.133 55 L HN 0.507 nan 8.230 nan 0.000 0.453 56 K N 4.082 124.557 120.400 0.125 0.000 2.098 56 K HA 0.721 5.039 4.320 -0.003 0.000 0.258 56 K C -0.914 175.720 176.600 0.055 0.000 0.973 56 K CA -0.670 55.663 56.287 0.075 0.000 0.898 56 K CB 1.425 33.964 32.500 0.065 0.000 1.057 56 K HN 0.383 nan 8.250 nan 0.000 0.447 57 L N -1.061 120.107 121.223 -0.093 0.000 2.251 57 L HA 0.576 4.914 4.340 -0.003 0.000 0.244 57 L C -1.197 175.343 176.870 -0.551 0.000 1.095 57 L CA -0.989 53.589 54.840 -0.437 0.000 0.910 57 L CB 0.525 42.516 42.059 -0.113 0.000 1.516 57 L HN 0.515 nan 8.230 nan 0.000 0.429 58 Y N -0.020 119.668 120.300 -1.022 0.000 2.541 58 Y HA 0.616 5.164 4.550 -0.003 0.000 0.350 58 Y C -0.879 174.888 175.900 -0.221 0.000 1.075 58 Y CA -0.410 57.397 58.100 -0.489 0.000 1.302 58 Y CB 1.313 39.387 38.460 -0.644 0.000 1.094 58 Y HN 0.640 nan 8.280 nan 0.000 0.579 59 S N 6.169 121.826 115.700 -0.072 0.000 2.416 59 S HA 0.539 5.007 4.470 -0.003 0.000 0.287 59 S C -0.633 173.946 174.600 -0.035 0.000 1.139 59 S CA -0.537 57.646 58.200 -0.028 0.000 1.058 59 S CB -0.120 63.052 63.200 -0.046 0.000 0.967 59 S HN 0.561 nan 8.310 nan 0.000 0.495 60 L N 1.541 122.713 121.223 -0.086 0.000 2.303 60 L HA 0.793 5.131 4.340 -0.003 0.000 0.266 60 L C -0.313 176.452 176.870 -0.175 0.000 1.011 60 L CA -0.963 53.769 54.840 -0.180 0.000 0.818 60 L CB 0.915 42.556 42.059 -0.696 0.000 1.326 60 L HN 0.344 nan 8.230 nan 0.000 0.435 61 R N 0.680 121.117 120.500 -0.105 0.000 2.435 61 R HA 0.368 4.706 4.340 -0.003 0.000 0.308 61 R C -1.744 174.574 176.300 0.030 0.000 0.975 61 R CA -0.313 55.776 56.100 -0.017 0.000 0.867 61 R CB 1.155 31.482 30.300 0.045 0.000 1.171 61 R HN 0.668 nan 8.270 nan 0.000 0.470 62 W N 4.302 125.698 121.300 0.161 0.000 2.251 62 W HA 0.118 4.776 4.660 -0.003 0.000 0.327 62 W C 1.574 178.167 176.519 0.123 0.000 1.361 62 W CA -0.388 57.063 57.345 0.177 0.000 1.234 62 W CB 0.474 30.029 29.460 0.159 0.000 1.212 62 W HN 0.654 nan 8.180 nan 0.000 0.557 63 I N 0.346 121.126 120.570 0.350 0.000 4.082 63 I HA 0.330 4.498 4.170 -0.003 0.000 0.337 63 I C 0.590 176.810 176.117 0.171 0.000 1.352 63 I CA -0.074 61.343 61.300 0.195 0.000 1.097 63 I CB -0.122 37.938 38.000 0.100 0.000 1.048 63 I HN 0.282 nan 8.210 nan 0.000 0.393 64 S N -0.594 115.234 115.700 0.213 0.000 2.761 64 S HA 0.233 4.701 4.470 -0.003 0.000 0.290 64 S C -0.185 174.415 174.600 -0.001 0.000 1.222 64 S CA -0.151 58.087 58.200 0.064 0.000 0.954 64 S CB 1.178 64.376 63.200 -0.003 0.000 1.281 64 S HN 0.053 nan 8.310 nan 0.000 0.527 65 D N -0.061 120.176 120.400 -0.270 0.000 2.355 65 D HA 0.157 4.795 4.640 -0.003 0.000 0.218 65 D C 1.018 177.248 176.300 -0.117 0.000 1.004 65 D CA 1.129 54.969 54.000 -0.267 0.000 0.880 65 D CB -0.024 40.628 40.800 -0.246 0.000 0.911 65 D HN 0.638 nan 8.370 nan 0.000 0.528 66 H N -2.338 116.931 119.070 0.331 0.000 3.480 66 H HA 0.400 4.954 4.556 -0.003 0.000 0.257 66 H C -0.270 175.244 175.328 0.310 0.000 1.196 66 H CA -0.286 55.983 56.048 0.369 0.000 1.100 66 H CB 0.571 30.512 29.762 0.298 0.000 1.683 66 H HN 0.052 nan 8.280 nan 0.000 0.702 67 E N 1.330 121.789 120.200 0.431 0.000 2.317 67 E HA 0.388 4.736 4.350 -0.003 0.000 0.270 67 E C -1.530 175.283 176.600 0.354 0.000 0.885 67 E CA -1.119 55.460 56.400 0.298 0.000 0.760 67 E CB 3.216 33.040 29.700 0.207 0.000 1.227 67 E HN 0.234 nan 8.360 nan 0.000 0.434 68 Y N -0.572 119.776 120.300 0.080 0.000 2.588 68 Y HA 0.619 5.167 4.550 -0.003 0.000 0.343 68 Y C -1.611 174.286 175.900 -0.005 0.000 1.065 68 Y CA -1.315 56.719 58.100 -0.110 0.000 1.038 68 Y CB 0.839 38.903 38.460 -0.660 0.000 1.297 68 Y HN 0.337 nan 8.280 nan 0.000 0.467 69 L N 3.179 124.539 121.223 0.229 0.000 2.322 69 L HA 0.500 4.838 4.340 -0.003 0.000 0.279 69 L C -1.270 175.816 176.870 0.361 0.000 1.036 69 L CA -0.974 53.972 54.840 0.177 0.000 0.807 69 L CB 1.491 43.557 42.059 0.011 0.000 1.226 69 L HN 0.779 nan 8.230 nan 0.000 0.433 70 Y N 2.433 122.852 120.300 0.198 0.000 2.457 70 Y HA 0.305 4.853 4.550 -0.003 0.000 0.343 70 Y C -0.636 175.295 175.900 0.051 0.000 0.994 70 Y CA -1.197 56.956 58.100 0.089 0.000 1.031 70 Y CB 1.756 40.288 38.460 0.121 0.000 1.246 70 Y HN 0.410 nan 8.280 nan 0.000 0.449 71 K N 5.342 125.347 120.400 -0.658 0.000 2.267 71 K HA 0.273 4.591 4.320 -0.003 0.000 0.282 71 K C -1.161 175.105 176.600 -0.558 0.000 1.078 71 K CA -0.316 55.700 56.287 -0.452 0.000 0.903 71 K CB 0.601 32.910 32.500 -0.318 0.000 1.111 71 K HN 0.857 nan 8.250 nan 0.000 0.475 72 Q N 3.603 123.274 119.800 -0.216 0.000 2.285 72 Q HA 0.112 4.450 4.340 -0.003 0.000 0.269 72 Q C -1.261 174.716 176.000 -0.037 0.000 1.030 72 Q CA -0.254 55.503 55.803 -0.076 0.000 0.788 72 Q CB 1.241 30.067 28.738 0.147 0.000 1.266 72 Q HN 0.699 nan 8.270 nan 0.000 0.438 73 E N 3.074 123.252 120.200 -0.037 0.000 2.416 73 E HA -0.384 3.964 4.350 -0.003 0.000 0.249 73 E C 0.092 176.666 176.600 -0.044 0.000 1.124 73 E CA 0.848 57.232 56.400 -0.028 0.000 0.732 73 E CB -1.505 28.189 29.700 -0.010 0.000 1.286 73 E HN 1.048 nan 8.360 nan 0.000 0.394 74 N N -0.817 117.846 118.700 -0.063 0.000 2.927 74 N HA -0.275 4.463 4.740 -0.003 0.000 0.215 74 N C -0.008 175.457 175.510 -0.075 0.000 0.868 74 N CA 1.574 54.586 53.050 -0.063 0.000 1.075 74 N CB -0.542 37.919 38.487 -0.043 0.000 0.989 74 N HN 0.616 nan 8.380 nan 0.000 0.609 75 N N 0.988 119.644 118.700 -0.072 0.000 2.476 75 N HA 0.423 5.161 4.740 -0.003 0.000 0.276 75 N C -0.482 174.974 175.510 -0.089 0.000 1.204 75 N CA -0.317 52.686 53.050 -0.077 0.000 0.974 75 N CB 1.207 39.659 38.487 -0.058 0.000 1.204 75 N HN 0.142 nan 8.380 nan 0.000 0.543 76 I N 0.836 121.357 120.570 -0.082 0.000 2.354 76 I HA 0.241 4.409 4.170 -0.003 0.000 0.292 76 I C -0.644 175.501 176.117 0.047 0.000 0.989 76 I CA -0.760 60.499 61.300 -0.069 0.000 1.188 76 I CB 1.171 39.066 38.000 -0.175 0.000 1.342 76 I HN 0.256 nan 8.210 nan 0.000 0.457 77 L N 6.917 128.185 121.223 0.075 0.000 2.334 77 L HA 0.580 4.918 4.340 -0.003 0.000 0.270 77 L C -0.267 176.653 176.870 0.084 0.000 1.018 77 L CA -0.751 54.129 54.840 0.066 0.000 0.811 77 L CB 1.752 43.823 42.059 0.020 0.000 1.271 77 L HN 0.289 nan 8.230 nan 0.000 0.443 78 V N 2.085 121.992 119.914 -0.010 0.000 2.448 78 V HA 0.558 4.676 4.120 -0.003 0.000 0.295 78 V C -1.066 174.909 176.094 -0.198 0.000 1.025 78 V CA -0.295 61.993 62.300 -0.019 0.000 0.859 78 V CB 1.144 33.029 31.823 0.103 0.000 0.988 78 V HN 0.498 nan 8.190 nan 0.000 0.431 79 F N 5.263 124.974 119.950 -0.397 0.000 2.450 79 F HA 0.495 5.020 4.527 -0.003 0.000 0.332 79 F C 0.559 176.094 175.800 -0.442 0.000 1.093 79 F CA -0.463 57.213 58.000 -0.539 0.000 1.003 79 F CB 1.651 39.983 39.000 -1.113 0.000 1.151 79 F HN 0.498 nan 8.300 nan 0.000 0.474 80 N N 2.066 120.734 118.700 -0.054 0.000 2.414 80 N HA 0.234 4.972 4.740 -0.003 0.000 0.256 80 N C 0.450 175.916 175.510 -0.074 0.000 1.029 80 N CA 0.114 53.155 53.050 -0.015 0.000 0.948 80 N CB 1.750 40.274 38.487 0.061 0.000 1.102 80 N HN 0.823 nan 8.380 nan 0.000 0.496 81 A N 4.067 126.807 122.820 -0.134 0.000 1.902 81 A HA -0.165 4.153 4.320 -0.003 0.000 0.217 81 A C 1.888 179.199 177.584 -0.455 0.000 1.181 81 A CA 1.393 53.263 52.037 -0.277 0.000 0.623 81 A CB -0.497 18.204 19.000 -0.497 0.000 0.818 81 A HN 0.876 nan 8.150 nan 0.000 0.443 82 E N -1.583 118.288 120.200 -0.548 0.000 2.077 82 E HA -0.208 4.140 4.350 -0.003 0.000 0.193 82 E C 1.420 177.681 176.600 -0.564 0.000 0.989 82 E CA 1.663 57.723 56.400 -0.567 0.000 0.800 82 E CB -0.140 29.113 29.700 -0.746 0.000 0.746 82 E HN 0.841 nan 8.360 nan 0.000 0.452 83 Y N -2.282 118.004 120.300 -0.023 0.000 2.444 83 Y HA 0.299 4.847 4.550 -0.003 0.000 0.252 83 Y C 1.556 177.456 175.900 0.001 0.000 1.091 83 Y CA -0.029 58.066 58.100 -0.008 0.000 1.276 83 Y CB 1.423 39.880 38.460 -0.006 0.000 1.170 83 Y HN 0.206 nan 8.280 nan 0.000 0.517 84 G N 1.108 109.980 108.800 0.120 0.000 2.199 84 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.254 84 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.254 84 G C 0.014 175.033 174.900 0.199 0.000 0.982 84 G CA 0.149 45.344 45.100 0.159 0.000 0.632 84 G HN 0.443 nan 8.290 nan 0.000 0.529 85 N N 0.758 119.529 118.700 0.119 0.000 2.482 85 N HA 0.553 5.291 4.740 -0.003 0.000 0.260 85 N C 0.141 175.561 175.510 -0.149 0.000 1.236 85 N CA 0.829 53.882 53.050 0.006 0.000 0.938 85 N CB 1.541 40.035 38.487 0.012 0.000 1.128 85 N HN 0.995 nan 8.380 nan 0.000 0.448 86 S N -0.260 115.251 115.700 -0.316 0.000 2.720 86 S HA 0.784 5.252 4.470 -0.003 0.000 0.287 86 S C -0.930 173.479 174.600 -0.318 0.000 1.168 86 S CA -0.779 57.096 58.200 -0.540 0.000 0.832 86 S CB 1.506 63.889 63.200 -1.362 0.000 1.166 86 S HN 0.679 nan 8.310 nan 0.000 0.493 87 S N -0.515 115.016 115.700 -0.283 0.000 2.625 87 S HA 0.582 5.050 4.470 -0.003 0.000 0.271 87 S C -1.260 173.279 174.600 -0.102 0.000 1.161 87 S CA -0.739 57.372 58.200 -0.149 0.000 0.820 87 S CB 1.470 64.620 63.200 -0.085 0.000 1.137 87 S HN 0.800 nan 8.310 nan 0.000 0.470 88 V N 2.570 122.446 119.914 -0.064 0.000 2.455 88 V HA 0.239 4.357 4.120 -0.003 0.000 0.273 88 V C 0.361 176.467 176.094 0.019 0.000 1.045 88 V CA 0.192 62.476 62.300 -0.027 0.000 0.976 88 V CB 0.365 32.157 31.823 -0.051 0.000 0.993 88 V HN 0.921 nan 8.190 nan 0.000 0.475 89 F N 5.238 125.140 119.950 -0.080 0.000 2.317 89 F HA 0.399 4.924 4.527 -0.003 0.000 0.290 89 F C 0.484 176.244 175.800 -0.066 0.000 1.075 89 F CA 0.683 58.648 58.000 -0.058 0.000 1.380 89 F CB 0.583 39.561 39.000 -0.037 0.000 1.093 89 F HN 0.354 nan 8.300 nan 0.000 0.524 90 L N 1.376 122.656 121.223 0.094 0.000 2.555 90 L HA 0.305 4.643 4.340 -0.003 0.000 0.264 90 L C -0.895 175.929 176.870 -0.077 0.000 0.972 90 L CA -0.611 54.209 54.840 -0.033 0.000 0.876 90 L CB 0.908 43.002 42.059 0.057 0.000 1.216 90 L HN -0.109 nan 8.230 nan 0.000 0.415 91 E N 1.506 121.631 120.200 -0.125 0.000 2.502 91 E HA -0.051 4.297 4.350 -0.003 0.000 0.261 91 E C 1.124 177.649 176.600 -0.126 0.000 0.974 91 E CA 0.622 56.950 56.400 -0.120 0.000 0.936 91 E CB 0.719 30.340 29.700 -0.132 0.000 0.926 91 E HN 0.602 nan 8.360 nan 0.000 0.459 92 N N 1.190 119.836 118.700 -0.090 0.000 2.430 92 N HA -0.214 4.524 4.740 -0.003 0.000 0.186 92 N C 0.883 176.347 175.510 -0.077 0.000 1.032 92 N CA 1.442 54.449 53.050 -0.072 0.000 0.893 92 N CB -0.124 38.331 38.487 -0.055 0.000 0.957 92 N HN 0.284 nan 8.380 nan 0.000 0.442 93 S N -2.774 112.862 115.700 -0.107 0.000 2.556 93 S HA 0.110 4.578 4.470 -0.003 0.000 0.216 93 S C 1.427 175.912 174.600 -0.192 0.000 0.970 93 S CA -0.059 58.075 58.200 -0.110 0.000 0.912 93 S CB -0.547 62.597 63.200 -0.092 0.000 0.790 93 S HN 0.208 nan 8.310 nan 0.000 0.504 94 T N 1.929 116.291 114.554 -0.319 0.000 2.699 94 T HA -0.041 4.307 4.350 -0.003 0.000 0.268 94 T C 0.205 174.392 174.700 -0.854 0.000 1.036 94 T CA 1.417 63.123 62.100 -0.657 0.000 1.147 94 T CB -0.457 67.821 68.868 -0.984 0.000 0.862 94 T HN 0.578 nan 8.240 nan 0.000 0.446 95 F N 0.830 120.685 119.950 -0.159 0.000 2.908 95 F HA 0.373 4.898 4.527 -0.003 0.000 0.328 95 F C 0.796 176.594 175.800 -0.003 0.000 1.211 95 F CA -1.141 56.796 58.000 -0.105 0.000 1.291 95 F CB 0.086 38.931 39.000 -0.260 0.000 0.962 95 F HN -0.050 nan 8.300 nan 0.000 0.505 96 D N 0.306 120.742 120.400 0.060 0.000 2.224 96 D HA -0.086 4.552 4.640 -0.003 0.000 0.205 96 D C 1.399 177.740 176.300 0.068 0.000 0.965 96 D CA 1.221 55.252 54.000 0.052 0.000 0.852 96 D CB 0.149 40.948 40.800 -0.002 0.000 0.947 96 D HN 0.241 nan 8.370 nan 0.000 0.494 97 E N -1.000 119.250 120.200 0.082 0.000 2.499 97 E HA 0.127 4.475 4.350 -0.003 0.000 0.199 97 E C 0.643 177.310 176.600 0.112 0.000 1.016 97 E CA -0.310 56.127 56.400 0.062 0.000 0.933 97 E CB -0.110 29.609 29.700 0.031 0.000 1.050 97 E HN 0.125 nan 8.360 nan 0.000 0.462 98 F N 0.842 120.811 119.950 0.031 0.000 2.333 98 F HA 0.028 4.553 4.527 -0.004 0.000 0.300 98 F C 1.781 177.531 175.800 -0.083 0.000 1.083 98 F CA 1.589 59.605 58.000 0.027 0.000 1.395 98 F CB -0.009 39.023 39.000 0.053 0.000 1.056 98 F HN 0.192 nan 8.300 nan 0.000 0.529 99 G N -0.435 108.253 108.800 -0.186 0.000 2.162 99 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.260 99 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.260 99 G C 0.031 174.525 174.900 -0.678 0.000 0.976 99 G CA 0.450 45.300 45.100 -0.417 0.000 0.655 99 G HN 0.567 nan 8.290 nan 0.000 0.533 100 H N -0.810 118.152 119.070 -0.180 0.000 3.038 100 H HA 0.508 5.062 4.556 -0.003 0.000 0.362 100 H C -0.717 174.693 175.328 0.137 0.000 1.167 100 H CA -0.097 55.904 56.048 -0.077 0.000 1.197 100 H CB 1.537 31.065 29.762 -0.391 0.000 1.840 100 H HN 0.151 nan 8.280 nan 0.000 0.540 101 S N 2.858 118.709 115.700 0.251 0.000 2.430 101 S HA 0.253 4.721 4.470 -0.003 0.000 0.282 101 S C 0.400 175.102 174.600 0.170 0.000 1.186 101 S CA -0.653 57.649 58.200 0.170 0.000 1.060 101 S CB -0.693 62.579 63.200 0.120 0.000 0.966 101 S HN 0.352 nan 8.310 nan 0.000 0.501 102 I N 5.547 126.174 120.570 0.094 0.000 2.517 102 I HA 0.065 4.233 4.170 -0.003 0.000 0.285 102 I C 1.514 177.642 176.117 0.018 0.000 1.106 102 I CA -0.223 61.090 61.300 0.022 0.000 1.402 102 I CB 0.532 38.444 38.000 -0.147 0.000 1.399 102 I HN 0.697 nan 8.210 nan 0.000 0.535 103 N N 3.992 122.701 118.700 0.015 0.000 2.333 103 N HA -0.060 4.678 4.740 -0.003 0.000 0.178 103 N C -0.022 175.438 175.510 -0.084 0.000 1.018 103 N CA 1.043 54.052 53.050 -0.069 0.000 0.882 103 N CB 0.412 38.820 38.487 -0.132 0.000 0.984 103 N HN 0.675 nan 8.380 nan 0.000 0.434 104 D N -2.609 117.775 120.400 -0.027 0.000 2.710 104 D HA 0.146 4.784 4.640 -0.003 0.000 0.276 104 D C -1.685 174.673 176.300 0.097 0.000 1.267 104 D CA -0.496 53.508 54.000 0.007 0.000 0.772 104 D CB 0.791 41.544 40.800 -0.079 0.000 1.299 104 D HN 0.064 nan 8.370 nan 0.000 0.421 105 Y N -1.073 119.233 120.300 0.010 0.000 2.609 105 Y HA 0.786 5.334 4.550 -0.003 0.000 0.342 105 Y C -1.086 174.889 175.900 0.125 0.000 1.058 105 Y CA -1.020 57.110 58.100 0.051 0.000 1.055 105 Y CB 1.728 40.202 38.460 0.023 0.000 1.292 105 Y HN 0.152 nan 8.280 nan 0.000 0.476 106 S N 1.792 117.632 115.700 0.234 0.000 2.649 106 S HA 0.621 5.089 4.470 -0.003 0.000 0.274 106 S C -1.848 173.031 174.600 0.465 0.000 1.176 106 S CA -0.447 57.904 58.200 0.252 0.000 0.988 106 S CB 0.348 63.732 63.200 0.307 0.000 1.071 106 S HN 0.595 nan 8.310 nan 0.000 0.478 107 I N 4.347 125.083 120.570 0.277 0.000 2.396 107 I HA 0.335 4.503 4.170 -0.003 0.000 0.292 107 I C 0.928 176.871 176.117 -0.291 0.000 0.999 107 I CA 0.130 61.507 61.300 0.127 0.000 1.310 107 I CB 1.649 39.728 38.000 0.131 0.000 1.404 107 I HN 0.728 nan 8.210 nan 0.000 0.496 108 S N 6.097 121.325 115.700 -0.786 0.000 2.572 108 S HA 0.227 4.695 4.470 -0.003 0.000 0.279 108 S C -1.830 172.488 174.600 -0.470 0.000 1.341 108 S CA -0.797 56.592 58.200 -1.352 0.000 1.043 108 S CB 0.463 62.765 63.200 -1.498 0.000 0.887 108 S HN 0.453 nan 8.310 nan 0.000 0.516 109 P HA -0.179 nan 4.420 nan 0.000 0.216 109 P C 0.772 178.031 177.300 -0.069 0.000 1.154 109 P CA 1.744 64.773 63.100 -0.118 0.000 0.865 109 P CB -0.160 31.485 31.700 -0.092 0.000 0.789 110 D N -2.208 118.148 120.400 -0.074 0.000 2.336 110 D HA 0.083 4.721 4.640 -0.003 0.000 0.229 110 D C 1.360 177.662 176.300 0.003 0.000 1.061 110 D CA 0.549 54.543 54.000 -0.010 0.000 0.875 110 D CB -1.214 39.605 40.800 0.032 0.000 0.904 110 D HN 0.212 nan 8.370 nan 0.000 0.525 111 G N 0.457 109.248 108.800 -0.015 0.000 2.166 111 G HA2 -0.426 3.532 3.960 -0.003 0.000 0.260 111 G HA3 -0.426 3.532 3.960 -0.003 0.000 0.260 111 G C 0.941 175.826 174.900 -0.024 0.000 0.986 111 G CA 0.685 45.813 45.100 0.047 0.000 0.683 111 G HN 0.480 nan 8.290 nan 0.000 0.527 112 Q N -1.677 118.053 119.800 -0.116 0.000 2.398 112 Q HA 0.389 4.727 4.340 -0.003 0.000 0.204 112 Q C 0.226 175.770 176.000 -0.761 0.000 0.932 112 Q CA 0.590 56.153 55.803 -0.402 0.000 0.916 112 Q CB 0.324 28.818 28.738 -0.407 0.000 1.024 112 Q HN 0.590 nan 8.270 nan 0.000 0.504 113 F N -0.797 119.093 119.950 -0.100 0.000 2.626 113 F HA 0.501 5.026 4.527 -0.003 0.000 0.311 113 F C -0.729 175.139 175.800 0.114 0.000 1.088 113 F CA -1.221 56.785 58.000 0.010 0.000 0.949 113 F CB 1.698 40.726 39.000 0.047 0.000 1.322 113 F HN -0.231 nan 8.300 nan 0.000 0.461 114 I N 2.635 123.529 120.570 0.540 0.000 2.533 114 I HA 0.533 4.701 4.170 -0.003 0.000 0.290 114 I C -1.863 174.601 176.117 0.578 0.000 1.056 114 I CA -1.030 60.589 61.300 0.533 0.000 1.057 114 I CB 1.588 39.870 38.000 0.470 0.000 1.240 114 I HN 0.561 nan 8.210 nan 0.000 0.423 115 L N 8.214 129.811 121.223 0.624 0.000 2.276 115 L HA 0.498 4.836 4.340 -0.003 0.000 0.286 115 L C -1.265 175.766 176.870 0.267 0.000 1.061 115 L CA 0.008 55.092 54.840 0.407 0.000 0.807 115 L CB 0.970 43.197 42.059 0.279 0.000 1.177 115 L HN 0.517 nan 8.230 nan 0.000 0.429 116 L N 5.206 126.523 121.223 0.158 0.000 2.296 116 L HA 0.514 4.852 4.340 -0.003 0.000 0.286 116 L C -0.172 176.756 176.870 0.096 0.000 1.023 116 L CA -0.437 54.403 54.840 0.001 0.000 0.812 116 L CB 1.567 43.408 42.059 -0.362 0.000 1.223 116 L HN 0.617 nan 8.230 nan 0.000 0.421 117 E N 3.861 124.078 120.200 0.028 0.000 2.151 117 E HA 0.472 4.820 4.350 -0.003 0.000 0.275 117 E C -1.662 174.925 176.600 -0.023 0.000 0.936 117 E CA -0.515 55.772 56.400 -0.188 0.000 0.777 117 E CB 1.279 30.905 29.700 -0.123 0.000 1.108 117 E HN 0.452 nan 8.360 nan 0.000 0.401 118 Y N 1.581 121.718 120.300 -0.272 0.000 2.728 118 Y HA 0.451 5.000 4.550 -0.003 0.000 0.330 118 Y C -0.157 175.656 175.900 -0.146 0.000 1.234 118 Y CA -1.582 56.443 58.100 -0.125 0.000 1.070 118 Y CB 0.504 38.959 38.460 -0.009 0.000 1.300 118 Y HN 0.521 nan 8.280 nan 0.000 0.467 119 N N -0.372 118.323 118.700 -0.008 0.000 2.754 119 N HA -0.290 4.448 4.740 -0.003 0.000 0.248 119 N C -1.020 174.451 175.510 -0.065 0.000 1.093 119 N CA 0.962 53.956 53.050 -0.093 0.000 0.699 119 N CB -1.553 36.750 38.487 -0.306 0.000 1.016 119 N HN 0.861 nan 8.380 nan 0.000 0.552 120 Y N 0.346 120.572 120.300 -0.122 0.000 2.632 120 Y HA 0.263 4.811 4.550 -0.003 0.000 0.329 120 Y C 0.018 175.881 175.900 -0.061 0.000 1.174 120 Y CA 0.071 58.102 58.100 -0.116 0.000 1.469 120 Y CB 0.654 39.005 38.460 -0.182 0.000 1.242 120 Y HN -0.009 nan 8.280 nan 0.000 0.540 121 V N 8.176 127.724 119.914 -0.610 0.000 2.419 121 V HA 0.194 4.312 4.120 -0.003 0.000 0.287 121 V C -0.216 175.474 176.094 -0.673 0.000 1.017 121 V CA -1.401 60.588 62.300 -0.518 0.000 0.844 121 V CB 1.140 32.818 31.823 -0.242 0.000 1.011 121 V HN 0.755 nan 8.190 nan 0.000 0.429 122 K N 3.722 123.673 120.400 -0.748 0.000 2.436 122 K HA 0.192 4.510 4.320 -0.003 0.000 0.275 122 K C 0.392 176.818 176.600 -0.290 0.000 0.999 122 K CA 0.303 56.336 56.287 -0.423 0.000 0.980 122 K CB 1.174 33.603 32.500 -0.118 0.000 0.919 122 K HN 0.812 nan 8.250 nan 0.000 0.484 123 Q N 2.862 122.489 119.800 -0.290 0.000 2.653 123 Q HA 0.189 4.527 4.340 -0.003 0.000 0.212 123 Q C -0.018 175.757 176.000 -0.375 0.000 0.951 123 Q CA -0.464 54.980 55.803 -0.598 0.000 0.535 123 Q CB 0.130 28.336 28.738 -0.888 0.000 3.737 123 Q HN 0.740 nan 8.270 nan 0.000 0.401 124 W N 0.297 121.590 121.300 -0.013 0.000 1.756 124 W HA 0.380 5.038 4.660 -0.003 0.000 0.638 124 W C 1.902 178.406 176.519 -0.025 0.000 1.472 124 W CA -0.657 56.707 57.345 0.032 0.000 1.437 124 W CB -0.214 29.228 29.460 -0.030 0.000 3.368 124 W HN 0.298 nan 8.180 nan 0.000 0.771 125 R N -0.629 119.962 120.500 0.153 0.000 2.092 125 R HA -0.138 4.200 4.340 -0.003 0.000 0.231 125 R C 1.695 177.820 176.300 -0.293 0.000 1.119 125 R CA 1.742 57.755 56.100 -0.145 0.000 0.970 125 R CB -0.351 29.721 30.300 -0.378 0.000 0.864 125 R HN 0.495 nan 8.270 nan 0.000 0.440 126 H N -1.500 117.644 119.070 0.122 0.000 3.091 126 H HA 0.160 4.714 4.556 -0.003 0.000 0.249 126 H C 0.522 175.940 175.328 0.150 0.000 0.985 126 H CA 0.419 56.562 56.048 0.158 0.000 1.177 126 H CB 0.380 30.209 29.762 0.112 0.000 1.456 126 H HN 0.133 nan 8.280 nan 0.000 0.467 127 S N 1.320 117.012 115.700 -0.015 0.000 2.592 127 S HA 0.401 4.869 4.470 -0.003 0.000 0.271 127 S C -0.306 174.166 174.600 -0.214 0.000 1.326 127 S CA -0.470 57.416 58.200 -0.523 0.000 1.024 127 S CB 0.823 63.166 63.200 -1.429 0.000 0.921 127 S HN 0.437 nan 8.310 nan 0.000 0.527 128 Y N -2.216 117.929 120.300 -0.257 0.000 2.741 128 Y HA 0.669 5.217 4.550 -0.003 0.000 0.339 128 Y C -0.828 175.036 175.900 -0.060 0.000 1.226 128 Y CA -0.941 57.023 58.100 -0.226 0.000 1.072 128 Y CB 0.500 38.835 38.460 -0.208 0.000 1.331 128 Y HN 0.869 nan 8.280 nan 0.000 0.453 129 T N -0.095 114.509 114.554 0.084 0.000 2.932 129 T HA 1.020 5.368 4.350 -0.003 0.000 0.289 129 T C -0.475 174.317 174.700 0.153 0.000 1.039 129 T CA -0.144 62.019 62.100 0.104 0.000 1.024 129 T CB 1.786 70.658 68.868 0.007 0.000 1.090 129 T HN 1.889 nan 8.240 nan 0.000 0.496 130 A N 0.906 123.795 122.820 0.115 0.000 2.540 130 A HA 0.772 5.090 4.320 -0.003 0.000 0.291 130 A C -0.621 176.771 177.584 -0.321 0.000 1.083 130 A CA -0.973 50.989 52.037 -0.125 0.000 0.650 130 A CB 0.974 19.888 19.000 -0.143 0.000 1.292 130 A HN 0.849 nan 8.150 nan 0.000 0.435 131 S N -0.833 114.427 115.700 -0.733 0.000 2.638 131 S HA 0.844 5.312 4.470 -0.003 0.000 0.298 131 S C -1.545 172.424 174.600 -1.052 0.000 1.111 131 S CA -0.082 57.615 58.200 -0.839 0.000 1.027 131 S CB 0.722 63.124 63.200 -1.330 0.000 1.064 131 S HN 0.467 nan 8.310 nan 0.000 0.525 132 Y N -0.001 120.107 120.300 -0.320 0.000 2.504 132 Y HA 0.479 5.027 4.550 -0.003 0.000 0.344 132 Y C -0.386 175.581 175.900 0.111 0.000 1.023 132 Y CA -0.938 57.122 58.100 -0.066 0.000 1.020 132 Y CB 1.749 40.106 38.460 -0.172 0.000 1.282 132 Y HN 0.494 nan 8.280 nan 0.000 0.454 133 D N 2.246 122.859 120.400 0.356 0.000 2.671 133 D HA 0.555 5.193 4.640 -0.003 0.000 0.232 133 D C -0.996 175.428 176.300 0.206 0.000 1.114 133 D CA -0.351 53.821 54.000 0.287 0.000 0.858 133 D CB 2.838 43.882 40.800 0.407 0.000 1.544 133 D HN 0.412 nan 8.370 nan 0.000 0.471 134 I N 1.893 122.583 120.570 0.198 0.000 2.378 134 I HA 0.231 4.399 4.170 -0.003 0.000 0.291 134 I C -0.897 175.433 176.117 0.356 0.000 0.992 134 I CA -0.926 60.530 61.300 0.261 0.000 1.154 134 I CB 1.440 39.544 38.000 0.173 0.000 1.315 134 I HN 0.236 nan 8.210 nan 0.000 0.448 135 Y N 5.713 126.183 120.300 0.283 0.000 2.331 135 Y HA 0.275 4.823 4.550 -0.004 0.000 0.338 135 Y C -0.104 175.992 175.900 0.326 0.000 0.992 135 Y CA -0.672 57.602 58.100 0.289 0.000 1.121 135 Y CB 1.107 39.759 38.460 0.319 0.000 1.184 135 Y HN 0.477 nan 8.280 nan 0.000 0.469 136 D N 6.585 126.877 120.400 -0.179 0.000 2.336 136 D HA 0.076 4.714 4.640 -0.003 0.000 0.249 136 D C 0.817 176.801 176.300 -0.527 0.000 1.213 136 D CA 0.315 54.167 54.000 -0.247 0.000 0.870 136 D CB 0.895 41.602 40.800 -0.155 0.000 1.076 136 D HN 0.882 nan 8.370 nan 0.000 0.483 137 L N 3.672 124.683 121.223 -0.354 0.000 2.083 137 L HA -0.187 4.151 4.340 -0.003 0.000 0.209 137 L C 2.010 178.721 176.870 -0.265 0.000 1.083 137 L CA 0.647 55.357 54.840 -0.216 0.000 0.752 137 L CB -0.321 41.645 42.059 -0.154 0.000 0.899 137 L HN 0.371 nan 8.230 nan 0.000 0.433 138 N N 0.875 119.382 118.700 -0.322 0.000 2.051 138 N HA -0.156 4.582 4.740 -0.003 0.000 0.192 138 N C 1.658 177.045 175.510 -0.205 0.000 1.049 138 N CA 1.385 54.290 53.050 -0.241 0.000 0.845 138 N CB -0.282 38.060 38.487 -0.241 0.000 1.031 138 N HN 0.305 nan 8.380 nan 0.000 0.425 139 K N 0.842 121.107 120.400 -0.224 0.000 2.504 139 K HA 0.154 4.472 4.320 -0.003 0.000 0.195 139 K C -0.157 176.316 176.600 -0.211 0.000 1.036 139 K CA -0.031 56.150 56.287 -0.177 0.000 0.984 139 K CB 0.148 32.562 32.500 -0.143 0.000 0.788 139 K HN 0.142 nan 8.250 nan 0.000 0.488 140 R N 1.397 121.708 120.500 -0.315 0.000 3.322 140 R HA -0.220 4.118 4.340 -0.003 0.000 0.253 140 R C -0.834 175.230 176.300 -0.393 0.000 0.987 140 R CA 0.755 56.642 56.100 -0.354 0.000 0.666 140 R CB -2.114 28.141 30.300 -0.075 0.000 1.072 140 R HN 0.469 nan 8.270 nan 0.000 0.447 141 Q N -0.115 119.327 119.800 -0.598 0.000 2.484 141 Q HA 0.550 4.888 4.340 -0.003 0.000 0.285 141 Q C -0.963 174.904 176.000 -0.222 0.000 1.097 141 Q CA -1.263 54.392 55.803 -0.247 0.000 0.802 141 Q CB 1.869 30.548 28.738 -0.099 0.000 1.444 141 Q HN 0.086 nan 8.270 nan 0.000 0.429 142 L N 1.905 123.220 121.223 0.153 0.000 2.257 142 L HA 0.394 4.732 4.340 -0.003 0.000 0.290 142 L C -0.864 176.115 176.870 0.181 0.000 1.044 142 L CA -0.084 54.942 54.840 0.309 0.000 0.810 142 L CB 0.748 43.074 42.059 0.445 0.000 1.193 142 L HN 0.542 nan 8.230 nan 0.000 0.425 143 I N 4.501 125.170 120.570 0.163 0.000 2.662 143 I HA -0.028 4.140 4.170 -0.003 0.000 0.285 143 I C 1.089 177.264 176.117 0.096 0.000 1.161 143 I CA 0.608 61.973 61.300 0.108 0.000 1.415 143 I CB 0.504 38.560 38.000 0.092 0.000 1.385 143 I HN 0.791 nan 8.210 nan 0.000 0.552 144 T N 1.146 115.739 114.554 0.065 0.000 3.044 144 T HA 0.137 4.485 4.350 -0.003 0.000 0.260 144 T C 0.371 175.080 174.700 0.015 0.000 1.019 144 T CA -0.486 61.644 62.100 0.049 0.000 0.921 144 T CB -0.057 68.840 68.868 0.048 0.000 1.053 144 T HN 0.702 nan 8.240 nan 0.000 0.533 145 E N 1.196 121.399 120.200 0.004 0.000 2.202 145 E HA 0.380 4.728 4.350 -0.003 0.000 0.272 145 E C -0.776 175.799 176.600 -0.042 0.000 0.951 145 E CA -0.841 55.548 56.400 -0.018 0.000 0.813 145 E CB 0.810 30.502 29.700 -0.013 0.000 1.151 145 E HN -0.053 nan 8.360 nan 0.000 0.398 146 E N 1.016 121.177 120.200 -0.064 0.000 2.297 146 E HA -0.214 4.134 4.350 -0.003 0.000 0.228 146 E C -0.734 175.794 176.600 -0.122 0.000 1.213 146 E CA 0.705 57.048 56.400 -0.095 0.000 0.712 146 E CB -1.378 28.273 29.700 -0.080 0.000 1.202 146 E HN 0.581 nan 8.360 nan 0.000 0.376 147 R N -0.210 120.217 120.500 -0.123 0.000 2.694 147 R HA 0.314 4.652 4.340 -0.003 0.000 0.268 147 R C 1.167 177.308 176.300 -0.265 0.000 1.061 147 R CA -0.316 55.699 56.100 -0.141 0.000 1.133 147 R CB 0.474 30.723 30.300 -0.086 0.000 1.020 147 R HN 0.134 nan 8.270 nan 0.000 0.475 148 I N 3.787 124.164 120.570 -0.322 0.000 2.648 148 I HA 0.027 4.195 4.170 -0.003 0.000 0.284 148 I C -1.733 174.098 176.117 -0.477 0.000 1.153 148 I CA -1.589 59.362 61.300 -0.582 0.000 1.426 148 I CB 0.450 38.102 38.000 -0.580 0.000 1.381 148 I HN 0.308 nan 8.210 nan 0.000 0.571 149 P HA 0.024 nan 4.420 nan 0.000 0.269 149 P C -0.831 176.292 177.300 -0.296 0.000 1.217 149 P CA -0.174 62.557 63.100 -0.615 0.000 0.783 149 P CB 0.360 31.254 31.700 -1.343 0.000 0.898 150 N N 2.460 121.070 118.700 -0.150 0.000 2.513 150 N HA 0.077 4.815 4.740 -0.003 0.000 0.274 150 N C 0.291 175.890 175.510 0.149 0.000 1.189 150 N CA 0.108 53.136 53.050 -0.038 0.000 0.975 150 N CB -0.156 38.307 38.487 -0.039 0.000 1.157 150 N HN 0.391 nan 8.380 nan 0.000 0.465 151 N N -1.004 117.759 118.700 0.105 0.000 2.818 151 N HA -0.145 4.593 4.740 -0.003 0.000 0.250 151 N C -0.833 174.838 175.510 0.269 0.000 1.108 151 N CA 0.666 53.808 53.050 0.153 0.000 0.745 151 N CB -1.839 36.738 38.487 0.150 0.000 1.104 151 N HN 0.474 nan 8.380 nan 0.000 0.557 152 T N 0.882 115.608 114.554 0.288 0.000 2.901 152 T HA 0.112 4.460 4.350 -0.003 0.000 0.301 152 T C 1.723 176.575 174.700 0.253 0.000 1.012 152 T CA 0.097 62.383 62.100 0.311 0.000 1.135 152 T CB 1.095 70.033 68.868 0.117 0.000 0.936 152 T HN 0.163 nan 8.240 nan 0.000 0.539 153 Q N 1.762 121.702 119.800 0.233 0.000 2.302 153 Q HA 0.148 4.486 4.340 -0.003 0.000 0.202 153 Q C 0.156 176.342 176.000 0.309 0.000 0.936 153 Q CA 0.437 56.401 55.803 0.267 0.000 0.886 153 Q CB 0.733 29.606 28.738 0.226 0.000 0.986 153 Q HN 0.703 nan 8.270 nan 0.000 0.487 154 W N -0.257 121.008 121.300 -0.059 0.000 3.645 154 W HA 0.436 5.094 4.660 -0.003 0.000 0.285 154 W C -2.355 174.060 176.519 -0.172 0.000 1.266 154 W CA -0.611 56.647 57.345 -0.145 0.000 1.212 154 W CB 1.133 30.448 29.460 -0.242 0.000 1.306 154 W HN -0.364 nan 8.180 nan 0.000 0.552 155 V N 3.323 122.495 119.914 -1.236 0.000 2.888 155 V HA 0.708 4.826 4.120 -0.003 0.000 0.309 155 V C -0.500 174.965 176.094 -1.050 0.000 1.114 155 V CA -0.612 61.111 62.300 -0.962 0.000 0.940 155 V CB 1.858 33.029 31.823 -1.087 0.000 1.021 155 V HN 0.495 nan 8.190 nan 0.000 0.426 156 T N 2.642 116.891 114.554 -0.508 0.000 3.041 156 T HA 0.506 4.854 4.350 -0.003 0.000 0.321 156 T C -1.477 173.245 174.700 0.038 0.000 1.184 156 T CA -0.312 61.672 62.100 -0.194 0.000 1.050 156 T CB 0.790 69.757 68.868 0.165 0.000 1.159 156 T HN 0.516 nan 8.240 nan 0.000 0.469 157 W N 3.095 124.432 121.300 0.062 0.000 2.126 157 W HA 0.457 5.115 4.660 -0.004 0.000 0.346 157 W C 1.246 177.647 176.519 -0.197 0.000 1.279 157 W CA -0.561 56.779 57.345 -0.008 0.000 1.259 157 W CB 0.620 30.071 29.460 -0.016 0.000 1.133 157 W HN 0.788 nan 8.180 nan 0.000 0.592 158 S N 1.805 117.309 115.700 -0.327 0.000 2.600 158 S HA 0.127 4.595 4.470 -0.003 0.000 0.265 158 S C -1.436 172.896 174.600 -0.445 0.000 1.325 158 S CA -1.017 56.436 58.200 -1.244 0.000 1.002 158 S CB 0.912 63.292 63.200 -1.366 0.000 0.921 158 S HN 0.408 nan 8.310 nan 0.000 0.554 159 P HA 0.059 nan 4.420 nan 0.000 0.226 159 P C -0.092 177.149 177.300 -0.097 0.000 1.153 159 P CA 0.641 63.685 63.100 -0.094 0.000 0.777 159 P CB 0.001 31.691 31.700 -0.016 0.000 0.794 160 V N -1.650 118.158 119.914 -0.176 0.000 3.007 160 V HA 0.631 4.749 4.120 -0.003 0.000 0.311 160 V C 0.704 176.682 176.094 -0.192 0.000 1.120 160 V CA 0.035 62.252 62.300 -0.139 0.000 0.980 160 V CB 1.176 32.931 31.823 -0.113 0.000 1.033 160 V HN 0.428 nan 8.190 nan 0.000 0.429 161 G N 2.405 111.108 108.800 -0.161 0.000 2.509 161 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.259 161 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.259 161 G C 0.105 174.901 174.900 -0.173 0.000 1.169 161 G CA 0.612 45.573 45.100 -0.231 0.000 0.953 161 G HN 1.942 nan 8.290 nan 0.000 0.563 162 H N -0.596 118.467 119.070 -0.011 0.000 3.038 162 H HA 0.412 4.966 4.556 -0.003 0.000 0.238 162 H C 0.288 175.782 175.328 0.277 0.000 1.246 162 H CA -0.151 55.949 56.048 0.085 0.000 0.966 162 H CB -0.166 29.658 29.762 0.103 0.000 2.394 162 H HN 0.513 nan 8.280 nan 0.000 0.633 163 K N 1.589 122.066 120.400 0.129 0.000 2.219 163 K HA 0.510 4.828 4.320 -0.003 0.000 0.258 163 K C -0.428 176.316 176.600 0.242 0.000 1.008 163 K CA -0.357 56.010 56.287 0.134 0.000 0.928 163 K CB 1.559 34.001 32.500 -0.098 0.000 0.983 163 K HN 0.123 nan 8.250 nan 0.000 0.484 164 L N 0.768 122.149 121.223 0.262 0.000 2.401 164 L HA 0.584 4.922 4.340 -0.003 0.000 0.266 164 L C -1.071 176.007 176.870 0.346 0.000 0.991 164 L CA -0.867 54.078 54.840 0.176 0.000 0.818 164 L CB 2.211 44.200 42.059 -0.117 0.000 1.321 164 L HN 0.708 nan 8.230 nan 0.000 0.413 165 A N 2.337 125.343 122.820 0.311 0.000 2.371 165 A HA 0.857 5.175 4.320 -0.003 0.000 0.311 165 A C -1.630 175.983 177.584 0.048 0.000 1.068 165 A CA -0.382 51.715 52.037 0.101 0.000 0.744 165 A CB 1.245 20.183 19.000 -0.102 0.000 1.239 165 A HN 0.655 nan 8.150 nan 0.000 0.435 166 Y N -0.706 119.539 120.300 -0.091 0.000 2.597 166 Y HA 0.761 5.309 4.550 -0.003 0.000 0.340 166 Y C -1.194 174.708 175.900 0.003 0.000 1.097 166 Y CA -1.568 56.459 58.100 -0.122 0.000 1.037 166 Y CB 1.105 39.430 38.460 -0.225 0.000 1.305 166 Y HN 0.400 nan 8.280 nan 0.000 0.463 167 V N 1.954 121.990 119.914 0.204 0.000 2.459 167 V HA 0.386 4.504 4.120 -0.003 0.000 0.295 167 V C -1.447 174.853 176.094 0.344 0.000 1.029 167 V CA -0.614 61.782 62.300 0.160 0.000 0.874 167 V CB 1.376 33.213 31.823 0.023 0.000 0.985 167 V HN 0.873 nan 8.190 nan 0.000 0.438 168 W N 4.955 126.344 121.300 0.150 0.000 3.042 168 W HA 0.460 5.118 4.660 -0.003 0.000 0.337 168 W C 0.263 176.831 176.519 0.082 0.000 1.086 168 W CA -0.728 56.678 57.345 0.102 0.000 1.236 168 W CB 1.200 30.686 29.460 0.043 0.000 1.381 168 W HN 0.793 nan 8.180 nan 0.000 0.472 169 N N 5.106 123.395 118.700 -0.685 0.000 2.735 169 N HA -0.330 4.408 4.740 -0.003 0.000 0.248 169 N C -0.032 175.302 175.510 -0.293 0.000 1.083 169 N CA 0.975 53.641 53.050 -0.641 0.000 0.703 169 N CB -0.922 36.952 38.487 -1.022 0.000 1.005 169 N HN 0.728 nan 8.380 nan 0.000 0.550 170 N N -1.346 117.250 118.700 -0.174 0.000 2.800 170 N HA -0.151 4.587 4.740 -0.003 0.000 0.250 170 N C -1.470 173.959 175.510 -0.135 0.000 1.078 170 N CA 1.643 54.615 53.050 -0.131 0.000 0.804 170 N CB -0.509 37.859 38.487 -0.197 0.000 1.135 170 N HN 0.526 nan 8.380 nan 0.000 0.565 171 D N -0.218 120.114 120.400 -0.114 0.000 2.433 171 D HA 0.498 5.136 4.640 -0.003 0.000 0.236 171 D C 0.430 176.551 176.300 -0.298 0.000 1.026 171 D CA -0.447 53.400 54.000 -0.254 0.000 0.884 171 D CB 1.379 41.979 40.800 -0.334 0.000 1.384 171 D HN -0.008 nan 8.370 nan 0.000 0.477 172 I N 1.557 121.784 120.570 -0.571 0.000 2.440 172 I HA 0.254 4.422 4.170 -0.003 0.000 0.294 172 I C -0.689 174.930 176.117 -0.829 0.000 0.995 172 I CA -0.425 60.523 61.300 -0.586 0.000 1.306 172 I CB 0.607 38.178 38.000 -0.716 0.000 1.407 172 I HN 0.168 nan 8.210 nan 0.000 0.501 173 Y N 3.826 123.725 120.300 -0.668 0.000 2.512 173 Y HA 0.635 5.184 4.550 -0.003 0.000 0.348 173 Y C -0.422 175.121 175.900 -0.596 0.000 0.990 173 Y CA -0.896 56.763 58.100 -0.735 0.000 1.033 173 Y CB 2.107 39.840 38.460 -1.212 0.000 1.259 173 Y HN 0.104 nan 8.280 nan 0.000 0.461 174 V N 2.720 122.558 119.914 -0.128 0.000 2.709 174 V HA 0.489 4.607 4.120 -0.003 0.000 0.308 174 V C -0.971 175.257 176.094 0.222 0.000 1.062 174 V CA -1.409 60.925 62.300 0.058 0.000 0.901 174 V CB 2.111 33.984 31.823 0.084 0.000 1.003 174 V HN 0.619 nan 8.190 nan 0.000 0.425 175 K N 4.293 124.839 120.400 0.243 0.000 2.413 175 K HA 0.520 4.838 4.320 -0.003 0.000 0.257 175 K C 0.328 177.077 176.600 0.248 0.000 0.946 175 K CA -0.741 55.682 56.287 0.227 0.000 0.823 175 K CB 1.955 34.543 32.500 0.146 0.000 1.109 175 K HN 0.413 nan 8.250 nan 0.000 0.427 176 I N 1.090 121.828 120.570 0.282 0.000 2.353 176 I HA -0.056 4.112 4.170 -0.003 0.000 0.248 176 I C 0.321 176.568 176.117 0.217 0.000 1.119 176 I CA 1.400 62.837 61.300 0.229 0.000 1.417 176 I CB -0.256 37.880 38.000 0.227 0.000 1.078 176 I HN 0.571 nan 8.210 nan 0.000 0.421 177 E N -0.088 120.216 120.200 0.173 0.000 2.272 177 E HA 0.278 4.626 4.350 -0.003 0.000 0.269 177 E C -1.894 174.689 176.600 -0.028 0.000 0.877 177 E CA -1.990 54.473 56.400 0.104 0.000 0.755 177 E CB 1.945 31.702 29.700 0.096 0.000 1.192 177 E HN -0.161 nan 8.360 nan 0.000 0.422 178 P HA -0.197 nan 4.420 nan 0.000 0.217 178 P C 0.801 178.013 177.300 -0.146 0.000 1.151 178 P CA 1.456 64.392 63.100 -0.272 0.000 0.849 178 P CB 0.303 31.593 31.700 -0.685 0.000 0.787 179 N N -1.538 117.101 118.700 -0.102 0.000 2.236 179 N HA 0.024 4.762 4.740 -0.003 0.000 0.196 179 N C 0.168 175.659 175.510 -0.032 0.000 1.114 179 N CA 0.181 53.204 53.050 -0.045 0.000 0.859 179 N CB -0.114 38.367 38.487 -0.010 0.000 0.982 179 N HN 0.179 nan 8.380 nan 0.000 0.493 180 L N 0.610 121.817 121.223 -0.027 0.000 2.358 180 L HA 0.528 4.866 4.340 -0.003 0.000 0.268 180 L C -2.254 174.578 176.870 -0.063 0.000 1.032 180 L CA -2.237 52.588 54.840 -0.025 0.000 0.805 180 L CB 1.058 43.125 42.059 0.013 0.000 1.253 180 L HN -0.225 nan 8.230 nan 0.000 0.452 181 P HA 0.020 nan 4.420 nan 0.000 0.268 181 P C -0.874 176.281 177.300 -0.242 0.000 1.208 181 P CA -0.177 62.826 63.100 -0.161 0.000 0.777 181 P CB 0.589 32.181 31.700 -0.180 0.000 0.875 182 S N 1.270 116.866 115.700 -0.173 0.000 2.672 182 S HA 0.460 4.928 4.470 -0.003 0.000 0.276 182 S C -0.861 173.573 174.600 -0.277 0.000 1.207 182 S CA -0.498 57.623 58.200 -0.132 0.000 1.002 182 S CB 0.262 63.507 63.200 0.075 0.000 0.998 182 S HN 0.246 nan 8.310 nan 0.000 0.542 183 Y N 0.269 120.590 120.300 0.034 0.000 2.328 183 Y HA 0.467 5.015 4.550 -0.003 0.000 0.337 183 Y C 0.872 176.685 175.900 -0.144 0.000 1.008 183 Y CA -0.781 57.315 58.100 -0.007 0.000 1.129 183 Y CB 1.009 39.465 38.460 -0.007 0.000 1.185 183 Y HN 0.618 nan 8.280 nan 0.000 0.476 184 R N 3.360 123.775 120.500 -0.142 0.000 2.390 184 R HA 0.255 4.593 4.340 -0.003 0.000 0.291 184 R C 0.051 175.945 176.300 -0.675 0.000 1.070 184 R CA -0.076 55.572 56.100 -0.754 0.000 1.014 184 R CB 0.488 30.131 30.300 -1.096 0.000 1.007 184 R HN 0.777 nan 8.270 nan 0.000 0.466 185 I N 1.687 121.772 120.570 -0.808 0.000 3.616 185 I HA 0.015 4.183 4.170 -0.003 0.000 0.296 185 I C 0.889 176.739 176.117 -0.444 0.000 1.226 185 I CA 0.757 61.768 61.300 -0.481 0.000 1.394 185 I CB -0.182 37.525 38.000 -0.488 0.000 1.171 185 I HN 0.642 nan 8.210 nan 0.000 0.442 186 T N -3.901 110.220 114.554 -0.722 0.000 2.906 186 T HA 0.403 4.751 4.350 -0.003 0.000 0.295 186 T C -0.274 174.110 174.700 -0.527 0.000 1.061 186 T CA -0.512 61.344 62.100 -0.406 0.000 1.000 186 T CB 2.203 70.827 68.868 -0.406 0.000 1.103 186 T HN 0.208 nan 8.240 nan 0.000 0.486 187 W N 0.859 122.048 121.300 -0.185 0.000 2.518 187 W HA 0.126 4.784 4.660 -0.003 0.000 0.352 187 W C 1.390 177.854 176.519 -0.092 0.000 0.952 187 W CA -0.003 57.269 57.345 -0.121 0.000 1.624 187 W CB 0.646 30.055 29.460 -0.085 0.000 1.135 187 W HN 0.959 nan 8.180 nan 0.000 0.540 188 T N -2.458 112.136 114.554 0.068 0.000 3.081 188 T HA 0.173 4.521 4.350 -0.003 0.000 0.250 188 T C 1.247 175.934 174.700 -0.021 0.000 1.100 188 T CA 0.184 62.304 62.100 0.034 0.000 1.038 188 T CB 0.146 69.032 68.868 0.030 0.000 0.962 188 T HN -0.037 nan 8.240 nan 0.000 0.516 189 G N 1.326 110.082 108.800 -0.074 0.000 2.287 189 G HA2 0.312 4.270 3.960 -0.003 0.000 0.235 189 G HA3 0.312 4.270 3.960 -0.003 0.000 0.235 189 G C -0.562 174.270 174.900 -0.113 0.000 1.258 189 G CA -0.334 44.698 45.100 -0.114 0.000 0.884 189 G HN 0.570 nan 8.290 nan 0.000 0.518 190 K N 1.977 122.286 120.400 -0.153 0.000 2.616 190 K HA 0.147 4.465 4.320 -0.003 0.000 0.255 190 K C -0.162 176.310 176.600 -0.213 0.000 0.995 190 K CA -0.632 55.570 56.287 -0.141 0.000 0.860 190 K CB 1.376 33.828 32.500 -0.079 0.000 1.264 190 K HN 0.661 nan 8.250 nan 0.000 0.451 191 E N 3.348 123.431 120.200 -0.195 0.000 2.765 191 E HA -0.183 4.165 4.350 -0.003 0.000 0.256 191 E C -0.511 175.989 176.600 -0.168 0.000 0.935 191 E CA 1.163 57.446 56.400 -0.195 0.000 0.954 191 E CB 0.238 29.862 29.700 -0.127 0.000 0.908 191 E HN 0.648 nan 8.360 nan 0.000 0.500 192 D N 2.498 122.778 120.400 -0.200 0.000 3.059 192 D HA -0.241 4.397 4.640 -0.003 0.000 0.213 192 D C 0.526 176.831 176.300 0.008 0.000 1.144 192 D CA 1.313 55.310 54.000 -0.006 0.000 0.975 192 D CB -0.441 40.404 40.800 0.075 0.000 1.125 192 D HN 0.414 nan 8.370 nan 0.000 0.412 193 I N -1.051 119.427 120.570 -0.153 0.000 3.669 193 I HA 0.100 4.268 4.170 -0.003 0.000 0.255 193 I C 0.746 176.880 176.117 0.029 0.000 1.144 193 I CA 0.401 61.702 61.300 0.002 0.000 1.447 193 I CB 0.184 38.182 38.000 -0.004 0.000 1.622 193 I HN -0.136 nan 8.210 nan 0.000 0.435 194 I N 1.798 122.303 120.570 -0.109 0.000 2.389 194 I HA 0.269 4.437 4.170 -0.003 0.000 0.288 194 I C -1.247 174.804 176.117 -0.109 0.000 0.999 194 I CA -0.573 60.734 61.300 0.011 0.000 1.129 194 I CB 0.924 38.934 38.000 0.017 0.000 1.288 194 I HN 0.034 nan 8.210 nan 0.000 0.444 195 Y N 4.719 125.106 120.300 0.144 0.000 2.328 195 Y HA 0.409 4.957 4.550 -0.003 0.000 0.333 195 Y C 0.392 176.341 175.900 0.081 0.000 0.958 195 Y CA -0.780 57.401 58.100 0.135 0.000 1.167 195 Y CB 1.046 39.661 38.460 0.260 0.000 1.151 195 Y HN 0.414 nan 8.280 nan 0.000 0.470 196 N N 1.941 120.694 118.700 0.087 0.000 2.408 196 N HA 0.356 5.094 4.740 -0.003 0.000 0.280 196 N C 0.876 176.312 175.510 -0.124 0.000 1.002 196 N CA 0.446 53.476 53.050 -0.034 0.000 0.907 196 N CB 1.946 40.319 38.487 -0.190 0.000 1.161 196 N HN 0.964 nan 8.380 nan 0.000 0.488 197 G N 1.425 110.154 108.800 -0.119 0.000 2.212 197 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.266 197 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.266 197 G C 0.145 174.875 174.900 -0.283 0.000 0.978 197 G CA 0.900 45.858 45.100 -0.236 0.000 0.632 197 G HN 0.677 nan 8.290 nan 0.000 0.537 198 I N -1.849 118.626 120.570 -0.159 0.000 2.969 198 I HA 0.798 4.966 4.170 -0.003 0.000 0.307 198 I C 0.335 176.466 176.117 0.023 0.000 1.149 198 I CA -0.652 60.460 61.300 -0.314 0.000 1.008 198 I CB 1.970 39.604 38.000 -0.611 0.000 1.232 198 I HN 0.174 nan 8.210 nan 0.000 0.435 199 T N -0.380 114.114 114.554 -0.099 0.000 2.874 199 T HA 0.370 4.718 4.350 -0.003 0.000 0.281 199 T C -0.169 174.317 174.700 -0.356 0.000 0.994 199 T CA -0.607 61.349 62.100 -0.241 0.000 1.015 199 T CB 1.215 70.012 68.868 -0.118 0.000 1.028 199 T HN 0.770 nan 8.240 nan 0.000 0.523 200 D N -0.033 119.943 120.400 -0.707 0.000 2.478 200 D HA 0.059 4.697 4.640 -0.003 0.000 0.274 200 D C 0.963 177.183 176.300 -0.133 0.000 1.234 200 D CA -1.128 52.435 54.000 -0.728 0.000 1.069 200 D CB 0.034 40.407 40.800 -0.711 0.000 1.113 200 D HN 0.702 nan 8.370 nan 0.000 0.571 201 W N 0.007 121.245 121.300 -0.103 0.000 2.333 201 W HA -0.210 4.448 4.660 -0.003 0.000 0.316 201 W C 2.164 178.576 176.519 -0.178 0.000 1.215 201 W CA 2.263 59.545 57.345 -0.105 0.000 1.278 201 W CB -0.444 28.886 29.460 -0.216 0.000 1.154 201 W HN 0.173 nan 8.180 nan 0.000 0.486 202 V N -0.070 119.932 119.914 0.145 0.000 2.427 202 V HA -0.296 3.822 4.120 -0.003 0.000 0.248 202 V C 1.876 177.799 176.094 -0.285 0.000 1.051 202 V CA 2.009 64.274 62.300 -0.058 0.000 1.048 202 V CB -0.739 31.037 31.823 -0.078 0.000 0.666 202 V HN 0.306 nan 8.190 nan 0.000 0.456 203 Y N 0.604 120.726 120.300 -0.297 0.000 2.242 203 Y HA -0.165 4.383 4.550 -0.003 0.000 0.291 203 Y C 2.560 178.356 175.900 -0.174 0.000 1.137 203 Y CA 2.070 59.997 58.100 -0.288 0.000 1.181 203 Y CB -0.078 38.086 38.460 -0.494 0.000 0.989 203 Y HN 0.400 nan 8.280 nan 0.000 0.527 204 E N 0.389 120.549 120.200 -0.066 0.000 2.031 204 E HA -0.297 4.051 4.350 -0.003 0.000 0.193 204 E C 2.038 178.578 176.600 -0.100 0.000 0.994 204 E CA 1.611 57.996 56.400 -0.025 0.000 0.800 204 E CB -0.032 29.654 29.700 -0.023 0.000 0.752 204 E HN 0.399 nan 8.360 nan 0.000 0.447 205 E N 0.229 120.179 120.200 -0.416 0.000 2.072 205 E HA -0.151 4.197 4.350 -0.003 0.000 0.190 205 E C 1.553 178.029 176.600 -0.206 0.000 0.982 205 E CA 1.550 57.695 56.400 -0.425 0.000 0.803 205 E CB 0.169 29.258 29.700 -1.019 0.000 0.755 205 E HN 0.260 nan 8.360 nan 0.000 0.453 206 E N -0.840 119.219 120.200 -0.234 0.000 2.473 206 E HA 0.105 4.453 4.350 -0.003 0.000 0.204 206 E C 1.486 177.950 176.600 -0.226 0.000 0.994 206 E CA 0.281 56.590 56.400 -0.151 0.000 0.945 206 E CB 1.249 30.864 29.700 -0.142 0.000 0.990 206 E HN 0.198 nan 8.360 nan 0.000 0.493 207 V N -0.654 119.080 119.914 -0.301 0.000 2.948 207 V HA 0.073 4.191 4.120 -0.003 0.000 0.234 207 V C 1.269 177.130 176.094 -0.388 0.000 1.205 207 V CA 0.564 62.599 62.300 -0.441 0.000 1.234 207 V CB -0.126 31.275 31.823 -0.703 0.000 1.020 207 V HN 0.020 nan 8.190 nan 0.000 0.491 208 F N 0.550 120.518 119.950 0.031 0.000 2.746 208 F HA 0.321 4.846 4.527 -0.003 0.000 0.297 208 F C 1.550 177.325 175.800 -0.042 0.000 1.113 208 F CA 0.176 58.208 58.000 0.053 0.000 1.367 208 F CB -0.138 38.934 39.000 0.121 0.000 1.111 208 F HN 0.047 nan 8.300 nan 0.000 0.590 209 S N 0.622 116.357 115.700 0.059 0.000 3.549 209 S HA 0.010 4.478 4.470 -0.003 0.000 0.366 209 S C 0.053 174.332 174.600 -0.535 0.000 1.012 209 S CA 0.456 58.593 58.200 -0.105 0.000 1.141 209 S CB -1.648 61.527 63.200 -0.041 0.000 0.910 209 S HN 0.670 nan 8.310 nan 0.000 0.471 210 A N -0.648 122.015 122.820 -0.262 0.000 2.597 210 A HA 0.668 4.986 4.320 -0.003 0.000 0.292 210 A C -0.369 177.174 177.584 -0.069 0.000 1.057 210 A CA -0.428 51.435 52.037 -0.290 0.000 0.674 210 A CB 0.240 19.100 19.000 -0.233 0.000 1.278 210 A HN 0.375 nan 8.150 nan 0.000 0.416 211 Y N 1.776 121.891 120.300 -0.308 0.000 2.347 211 Y HA 0.161 4.709 4.550 -0.003 0.000 0.294 211 Y C 1.588 177.167 175.900 -0.535 0.000 1.117 211 Y CA 0.938 58.858 58.100 -0.299 0.000 1.184 211 Y CB -0.053 38.273 38.460 -0.223 0.000 1.047 211 Y HN 0.816 nan 8.280 nan 0.000 0.546 212 S N 0.685 115.791 115.700 -0.990 0.000 2.576 212 S HA 0.497 4.965 4.470 -0.003 0.000 0.276 212 S C 0.259 174.303 174.600 -0.927 0.000 1.339 212 S CA -0.130 57.288 58.200 -1.302 0.000 1.039 212 S CB 1.361 63.383 63.200 -1.965 0.000 0.902 212 S HN 0.488 nan 8.310 nan 0.000 0.516 213 A N 2.382 124.669 122.820 -0.889 0.000 2.992 213 A HA 0.548 4.866 4.320 -0.003 0.000 0.263 213 A C -0.529 176.333 177.584 -1.203 0.000 0.928 213 A CA -0.740 50.699 52.037 -0.996 0.000 1.061 213 A CB -0.604 18.236 19.000 -0.267 0.000 1.173 213 A HN 1.112 nan 8.150 nan 0.000 0.482 214 L N -4.791 115.576 121.223 -1.426 0.000 2.434 214 L HA 0.914 5.252 4.340 -0.003 0.000 0.260 214 L C -1.329 175.041 176.870 -0.834 0.000 0.983 214 L CA -1.109 53.233 54.840 -0.829 0.000 0.820 214 L CB 1.162 42.972 42.059 -0.414 0.000 1.361 214 L HN 0.227 nan 8.230 nan 0.000 0.410 215 W N 1.537 122.882 121.300 0.076 0.000 2.802 215 W HA 0.325 4.984 4.660 -0.003 0.000 0.331 215 W C -1.525 175.232 176.519 0.397 0.000 1.021 215 W CA -0.751 56.758 57.345 0.274 0.000 1.259 215 W CB 1.530 31.195 29.460 0.341 0.000 1.323 215 W HN 0.610 nan 8.180 nan 0.000 0.432 216 W N 2.472 123.990 121.300 0.364 0.000 2.170 216 W HA 0.228 4.886 4.660 -0.003 0.000 0.336 216 W C 1.319 177.679 176.519 -0.265 0.000 1.283 216 W CA 0.334 57.755 57.345 0.125 0.000 1.224 216 W CB 0.848 30.350 29.460 0.068 0.000 1.132 216 W HN 0.187 nan 8.180 nan 0.000 0.571 217 S N 2.445 117.882 115.700 -0.439 0.000 2.600 217 S HA 0.186 4.654 4.470 -0.003 0.000 0.265 217 S C -1.772 172.551 174.600 -0.462 0.000 1.325 217 S CA -0.994 56.349 58.200 -1.429 0.000 1.002 217 S CB 0.953 63.370 63.200 -1.305 0.000 0.921 217 S HN 0.287 nan 8.310 nan 0.000 0.554 218 P HA -0.179 nan 4.420 nan 0.000 0.216 218 P C 0.862 178.119 177.300 -0.071 0.000 1.157 218 P CA 1.795 64.847 63.100 -0.079 0.000 0.880 218 P CB -0.225 31.475 31.700 -0.001 0.000 0.791 219 N N -2.120 116.526 118.700 -0.090 0.000 2.270 219 N HA 0.139 4.877 4.740 -0.003 0.000 0.198 219 N C 1.062 176.492 175.510 -0.133 0.000 1.117 219 N CA 0.497 53.492 53.050 -0.091 0.000 0.845 219 N CB -0.745 37.703 38.487 -0.064 0.000 0.980 219 N HN 0.194 nan 8.380 nan 0.000 0.486 220 G N -1.019 107.706 108.800 -0.124 0.000 2.159 220 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.256 220 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.256 220 G C 0.953 175.882 174.900 0.048 0.000 0.977 220 G CA 0.778 45.817 45.100 -0.102 0.000 0.652 220 G HN 0.379 nan 8.290 nan 0.000 0.531 221 T N -0.154 114.355 114.554 -0.075 0.000 2.777 221 T HA 0.223 4.571 4.350 -0.003 0.000 0.266 221 T C 0.775 175.339 174.700 -0.226 0.000 1.040 221 T CA 1.209 63.175 62.100 -0.223 0.000 1.141 221 T CB -0.076 68.513 68.868 -0.465 0.000 0.868 221 T HN 0.295 nan 8.240 nan 0.000 0.444 222 F N 0.344 120.323 119.950 0.048 0.000 2.458 222 F HA 0.630 5.155 4.527 -0.003 0.000 0.330 222 F C -0.255 175.616 175.800 0.120 0.000 1.082 222 F CA -1.687 56.373 58.000 0.100 0.000 0.995 222 F CB 1.232 40.340 39.000 0.181 0.000 1.170 222 F HN -0.128 nan 8.300 nan 0.000 0.478 223 L N 2.840 124.228 121.223 0.276 0.000 2.372 223 L HA 0.813 5.151 4.340 -0.003 0.000 0.273 223 L C -0.701 176.272 176.870 0.172 0.000 0.989 223 L CA -0.528 54.301 54.840 -0.019 0.000 0.841 223 L CB 0.754 42.529 42.059 -0.472 0.000 1.225 223 L HN 0.656 nan 8.230 nan 0.000 0.414 224 A N 4.644 127.640 122.820 0.293 0.000 2.295 224 A HA 0.846 5.164 4.320 -0.003 0.000 0.318 224 A C -1.425 176.266 177.584 0.178 0.000 1.134 224 A CA -0.237 51.848 52.037 0.079 0.000 0.827 224 A CB 0.736 19.826 19.000 0.150 0.000 1.136 224 A HN 0.933 nan 8.150 nan 0.000 0.493 225 Y N -2.296 117.837 120.300 -0.278 0.000 2.677 225 Y HA 0.729 5.277 4.550 -0.003 0.000 0.334 225 Y C -0.434 175.386 175.900 -0.134 0.000 1.196 225 Y CA -0.866 57.173 58.100 -0.101 0.000 1.059 225 Y CB 0.730 39.062 38.460 -0.213 0.000 1.315 225 Y HN 0.986 nan 8.280 nan 0.000 0.455 226 A N 1.897 124.832 122.820 0.192 0.000 2.337 226 A HA 0.728 5.046 4.320 -0.003 0.000 0.331 226 A C -1.249 176.222 177.584 -0.188 0.000 1.137 226 A CA -0.849 51.153 52.037 -0.058 0.000 0.807 226 A CB 1.849 20.762 19.000 -0.146 0.000 1.250 226 A HN 0.816 nan 8.150 nan 0.000 0.468 227 Q N 0.999 120.609 119.800 -0.316 0.000 2.321 227 Q HA 0.603 4.941 4.340 -0.003 0.000 0.270 227 Q C -2.096 173.680 176.000 -0.374 0.000 1.032 227 Q CA -0.366 55.343 55.803 -0.158 0.000 0.784 227 Q CB 1.085 29.948 28.738 0.208 0.000 1.264 227 Q HN 0.587 nan 8.270 nan 0.000 0.448 228 F N 2.252 122.311 119.950 0.183 0.000 2.469 228 F HA 0.438 4.963 4.527 -0.003 0.000 0.332 228 F C 0.404 176.366 175.800 0.270 0.000 1.103 228 F CA -0.913 57.187 58.000 0.167 0.000 0.979 228 F CB 1.453 40.486 39.000 0.056 0.000 1.137 228 F HN 0.439 nan 8.300 nan 0.000 0.463 229 N N 1.849 120.785 118.700 0.394 0.000 2.483 229 N HA 0.221 4.959 4.740 -0.003 0.000 0.267 229 N C -0.938 174.752 175.510 0.301 0.000 0.998 229 N CA -0.323 52.909 53.050 0.303 0.000 0.918 229 N CB 1.082 39.692 38.487 0.206 0.000 1.215 229 N HN 0.569 nan 8.380 nan 0.000 0.500 230 D N 1.321 121.917 120.400 0.327 0.000 2.368 230 D HA 0.116 4.754 4.640 -0.003 0.000 0.218 230 D C 1.262 177.679 176.300 0.194 0.000 1.112 230 D CA 0.131 54.300 54.000 0.282 0.000 0.834 230 D CB 0.562 41.587 40.800 0.377 0.000 0.953 230 D HN 0.467 nan 8.370 nan 0.000 0.505 231 T N 0.585 115.235 114.554 0.159 0.000 2.653 231 T HA -0.255 4.093 4.350 -0.003 0.000 0.267 231 T C 1.330 176.086 174.700 0.094 0.000 1.037 231 T CA 1.470 63.636 62.100 0.110 0.000 1.159 231 T CB -0.111 68.812 68.868 0.091 0.000 0.859 231 T HN 0.340 nan 8.240 nan 0.000 0.449 232 E N 0.195 120.452 120.200 0.095 0.000 2.476 232 E HA 0.179 4.527 4.350 -0.003 0.000 0.196 232 E C -0.398 176.252 176.600 0.082 0.000 1.029 232 E CA -0.264 56.181 56.400 0.076 0.000 0.896 232 E CB 0.566 30.305 29.700 0.064 0.000 1.012 232 E HN 0.214 nan 8.360 nan 0.000 0.475 233 V N 3.517 123.495 119.914 0.106 0.000 2.508 233 V HA 0.095 4.213 4.120 -0.003 0.000 0.281 233 V C -1.981 174.168 176.094 0.092 0.000 1.041 233 V CA -1.500 60.864 62.300 0.108 0.000 1.016 233 V CB 0.347 32.255 31.823 0.141 0.000 0.984 233 V HN 0.035 nan 8.190 nan 0.000 0.478 234 P HA 0.248 nan 4.420 nan 0.000 0.270 234 P C -0.753 176.579 177.300 0.054 0.000 1.223 234 P CA -0.207 62.926 63.100 0.055 0.000 0.785 234 P CB 0.498 32.227 31.700 0.048 0.000 0.923 235 L N 1.934 123.165 121.223 0.014 0.000 2.317 235 L HA 0.467 4.805 4.340 -0.003 0.000 0.281 235 L C 0.223 177.035 176.870 -0.097 0.000 1.024 235 L CA -0.979 53.852 54.840 -0.015 0.000 0.810 235 L CB 1.178 43.225 42.059 -0.019 0.000 1.240 235 L HN 0.282 nan 8.230 nan 0.000 0.427 236 I N 2.398 122.862 120.570 -0.176 0.000 2.428 236 I HA 0.259 4.427 4.170 -0.003 0.000 0.289 236 I C -0.381 175.586 176.117 -0.250 0.000 1.019 236 I CA 0.218 61.308 61.300 -0.350 0.000 1.351 236 I CB 0.878 38.407 38.000 -0.784 0.000 1.412 236 I HN 0.576 nan 8.210 nan 0.000 0.513 237 E N 7.409 127.481 120.200 -0.213 0.000 2.234 237 E HA 0.529 4.877 4.350 -0.003 0.000 0.266 237 E C -1.771 174.763 176.600 -0.110 0.000 0.877 237 E CA -0.581 55.699 56.400 -0.201 0.000 0.758 237 E CB 1.990 31.600 29.700 -0.151 0.000 1.170 237 E HN 0.570 nan 8.360 nan 0.000 0.415 238 Y N -1.654 118.560 120.300 -0.144 0.000 2.609 238 Y HA 0.572 5.120 4.550 -0.003 0.000 0.336 238 Y C -0.764 175.066 175.900 -0.117 0.000 1.129 238 Y CA -1.281 56.741 58.100 -0.130 0.000 1.040 238 Y CB 0.868 39.259 38.460 -0.115 0.000 1.310 238 Y HN 0.224 nan 8.280 nan 0.000 0.460 239 S N 1.823 117.504 115.700 -0.031 0.000 2.584 239 S HA 0.518 4.986 4.470 -0.003 0.000 0.273 239 S C -1.432 173.015 174.600 -0.256 0.000 1.311 239 S CA -0.424 57.619 58.200 -0.261 0.000 1.034 239 S CB 0.711 63.604 63.200 -0.512 0.000 0.939 239 S HN 0.544 nan 8.310 nan 0.000 0.513 240 F N 1.870 121.553 119.950 -0.444 0.000 2.507 240 F HA 0.433 4.958 4.527 -0.004 0.000 0.328 240 F C -0.224 175.337 175.800 -0.400 0.000 1.136 240 F CA -0.958 56.870 58.000 -0.287 0.000 0.930 240 F CB 0.813 39.771 39.000 -0.071 0.000 1.166 240 F HN 0.651 nan 8.300 nan 0.000 0.436 241 Y N 2.712 122.801 120.300 -0.351 0.000 2.365 241 Y HA 0.100 4.648 4.550 -0.003 0.000 0.293 241 Y C 1.742 177.562 175.900 -0.133 0.000 1.119 241 Y CA 1.151 59.132 58.100 -0.198 0.000 1.203 241 Y CB -0.533 37.801 38.460 -0.210 0.000 1.026 241 Y HN 0.735 nan 8.280 nan 0.000 0.549 242 S N -0.365 115.236 115.700 -0.163 0.000 3.443 242 S HA -0.217 4.251 4.470 -0.003 0.000 0.635 242 S C -0.608 174.035 174.600 0.071 0.000 2.555 242 S CA 0.186 58.441 58.200 0.091 0.000 2.778 242 S CB -1.178 62.170 63.200 0.248 0.000 0.331 242 S HN 0.450 nan 8.310 nan 0.000 1.765 243 D N 1.567 122.028 120.400 0.101 0.000 2.378 243 D HA 0.158 4.796 4.640 -0.003 0.000 0.238 243 D C 1.383 177.714 176.300 0.052 0.000 1.180 243 D CA 0.354 54.395 54.000 0.068 0.000 0.895 243 D CB 0.190 41.032 40.800 0.070 0.000 1.192 243 D HN 0.611 nan 8.370 nan 0.000 0.438 244 E N 0.488 120.707 120.200 0.032 0.000 2.171 244 E HA -0.230 4.118 4.350 -0.003 0.000 0.197 244 E C 1.570 178.181 176.600 0.020 0.000 0.997 244 E CA 1.296 57.706 56.400 0.017 0.000 0.810 244 E CB 0.152 29.855 29.700 0.006 0.000 0.738 244 E HN 0.459 nan 8.360 nan 0.000 0.467 245 S N 0.266 115.984 115.700 0.030 0.000 2.419 245 S HA -0.157 4.311 4.470 -0.003 0.000 0.233 245 S C 0.987 175.610 174.600 0.039 0.000 1.016 245 S CA 0.108 58.326 58.200 0.030 0.000 0.974 245 S CB -0.247 62.974 63.200 0.035 0.000 0.786 245 S HN 0.231 nan 8.310 nan 0.000 0.492 246 L N 2.594 123.849 121.223 0.054 0.000 2.433 246 L HA 0.258 4.596 4.340 -0.003 0.000 0.275 246 L C 1.430 178.330 176.870 0.050 0.000 1.128 246 L CA 0.148 55.031 54.840 0.070 0.000 0.875 246 L CB 0.473 42.590 42.059 0.095 0.000 1.171 246 L HN 0.304 nan 8.230 nan 0.000 0.463 247 Q N 4.013 123.843 119.800 0.050 0.000 2.046 247 Q HA -0.097 4.241 4.340 -0.003 0.000 0.200 247 Q C -0.471 175.435 176.000 -0.156 0.000 0.975 247 Q CA 1.368 57.145 55.803 -0.044 0.000 0.836 247 Q CB 0.097 28.827 28.738 -0.014 0.000 0.896 247 Q HN 0.679 nan 8.270 nan 0.000 0.428 248 Y N 0.730 121.044 120.300 0.022 0.000 2.331 248 Y HA 0.380 4.928 4.550 -0.003 0.000 0.338 248 Y C -2.017 173.893 175.900 0.017 0.000 0.992 248 Y CA -2.879 55.231 58.100 0.017 0.000 1.121 248 Y CB 1.325 39.787 38.460 0.003 0.000 1.184 248 Y HN 0.175 nan 8.280 nan 0.000 0.469 249 P HA 0.015 nan 4.420 nan 0.000 0.268 249 P C -0.843 176.468 177.300 0.018 0.000 1.208 249 P CA -0.466 62.653 63.100 0.032 0.000 0.777 249 P CB 0.657 32.330 31.700 -0.045 0.000 0.875 250 K N 1.221 121.613 120.400 -0.013 0.000 2.156 250 K HA 0.322 4.640 4.320 -0.003 0.000 0.271 250 K C -0.765 175.789 176.600 -0.075 0.000 0.995 250 K CA -0.322 55.961 56.287 -0.007 0.000 0.890 250 K CB 0.531 33.060 32.500 0.049 0.000 1.073 250 K HN 0.325 nan 8.250 nan 0.000 0.454 251 T N 3.323 117.819 114.554 -0.096 0.000 2.733 251 T HA 0.196 4.544 4.350 -0.003 0.000 0.294 251 T C -0.462 174.113 174.700 -0.209 0.000 0.956 251 T CA -0.587 61.420 62.100 -0.155 0.000 0.987 251 T CB 0.953 69.745 68.868 -0.127 0.000 0.920 251 T HN 0.302 nan 8.240 nan 0.000 0.470 252 V N 5.848 125.541 119.914 -0.368 0.000 2.498 252 V HA 0.386 4.504 4.120 -0.003 0.000 0.279 252 V C 0.437 176.270 176.094 -0.435 0.000 1.048 252 V CA -0.429 61.604 62.300 -0.445 0.000 0.967 252 V CB 0.670 32.058 31.823 -0.725 0.000 0.988 252 V HN 0.724 nan 8.190 nan 0.000 0.473 253 R N 3.648 124.021 120.500 -0.212 0.000 2.451 253 R HA 0.720 5.058 4.340 -0.003 0.000 0.307 253 R C -1.298 174.992 176.300 -0.016 0.000 0.965 253 R CA -0.540 55.479 56.100 -0.134 0.000 0.865 253 R CB 2.271 32.519 30.300 -0.086 0.000 1.174 253 R HN 0.520 nan 8.270 nan 0.000 0.455 254 V N 3.452 123.359 119.914 -0.012 0.000 2.638 254 V HA 0.510 4.628 4.120 -0.003 0.000 0.306 254 V C -2.674 173.475 176.094 0.091 0.000 1.052 254 V CA -2.782 59.581 62.300 0.105 0.000 0.885 254 V CB 2.508 34.426 31.823 0.157 0.000 0.999 254 V HN 0.527 nan 8.190 nan 0.000 0.424 255 P HA 0.189 nan 4.420 nan 0.000 0.260 255 P C -1.763 175.642 177.300 0.176 0.000 1.207 255 P CA 0.638 63.847 63.100 0.181 0.000 0.780 255 P CB -0.352 31.504 31.700 0.261 0.000 0.789 256 Y N 6.591 126.864 120.300 -0.045 0.000 2.307 256 Y HA 0.375 4.923 4.550 -0.003 0.000 0.323 256 Y C -2.737 173.125 175.900 -0.062 0.000 1.100 256 Y CA -2.889 55.133 58.100 -0.131 0.000 1.140 256 Y CB 1.823 40.078 38.460 -0.343 0.000 1.159 256 Y HN 0.278 nan 8.280 nan 0.000 0.436 257 P HA 0.255 nan 4.420 nan 0.000 0.291 257 P C -0.880 176.483 177.300 0.105 0.000 1.340 257 P CA -0.213 62.934 63.100 0.077 0.000 0.799 257 P CB 1.339 33.063 31.700 0.039 0.000 0.917 258 K N 2.062 122.596 120.400 0.223 0.000 2.118 258 K HA 0.479 4.797 4.320 -0.003 0.000 0.240 258 K C 0.640 177.339 176.600 0.166 0.000 1.035 258 K CA -0.676 55.759 56.287 0.246 0.000 0.899 258 K CB 0.454 33.102 32.500 0.246 0.000 1.085 258 K HN 0.445 nan 8.250 nan 0.000 0.498 259 A N 0.614 123.556 122.820 0.204 0.000 2.566 259 A HA 0.289 4.607 4.320 -0.003 0.000 0.245 259 A C 1.184 178.802 177.584 0.056 0.000 1.056 259 A CA 0.947 53.088 52.037 0.174 0.000 0.757 259 A CB -1.170 18.014 19.000 0.307 0.000 0.979 259 A HN 0.889 nan 8.150 nan 0.000 0.508 260 G N 0.925 109.752 108.800 0.044 0.000 2.205 260 G HA2 0.086 4.044 3.960 -0.003 0.000 0.261 260 G HA3 0.086 4.044 3.960 -0.003 0.000 0.261 260 G C 0.702 175.613 174.900 0.019 0.000 0.980 260 G CA 0.823 45.923 45.100 0.000 0.000 0.632 260 G HN 2.159 nan 8.290 nan 0.000 0.533 261 A N -0.439 122.409 122.820 0.046 0.000 2.249 261 A HA 0.737 5.055 4.320 -0.003 0.000 0.281 261 A C 0.849 178.463 177.584 0.050 0.000 1.127 261 A CA 0.320 52.387 52.037 0.050 0.000 0.833 261 A CB 0.618 19.661 19.000 0.072 0.000 1.140 261 A HN 1.141 nan 8.150 nan 0.000 0.502 262 V N 2.472 122.417 119.914 0.052 0.000 2.485 262 V HA 0.034 4.152 4.120 -0.003 0.000 0.287 262 V C 0.273 176.411 176.094 0.074 0.000 1.022 262 V CA -0.115 62.217 62.300 0.054 0.000 1.067 262 V CB -0.263 31.593 31.823 0.054 0.000 0.967 262 V HN 0.774 nan 8.190 nan 0.000 0.479 263 N N 6.590 125.334 118.700 0.073 0.000 2.476 263 N HA 0.463 5.201 4.740 -0.003 0.000 0.275 263 N C -2.325 173.271 175.510 0.143 0.000 1.190 263 N CA -1.462 51.654 53.050 0.109 0.000 0.977 263 N CB 1.086 39.635 38.487 0.102 0.000 1.200 263 N HN 0.389 nan 8.380 nan 0.000 0.515 264 P HA 0.109 nan 4.420 nan 0.000 0.274 264 P C -0.428 177.039 177.300 0.278 0.000 1.237 264 P CA -0.157 63.108 63.100 0.275 0.000 0.793 264 P CB 0.449 32.365 31.700 0.360 0.000 0.977 265 T N -1.882 112.819 114.554 0.245 0.000 2.952 265 T HA 0.624 4.972 4.350 -0.003 0.000 0.286 265 T C -0.322 174.529 174.700 0.251 0.000 1.024 265 T CA -0.842 61.360 62.100 0.169 0.000 1.029 265 T CB 1.484 70.412 68.868 0.101 0.000 1.094 265 T HN 0.347 nan 8.240 nan 0.000 0.515 266 V N 0.147 120.180 119.914 0.198 0.000 3.049 266 V HA 0.753 4.871 4.120 -0.003 0.000 0.309 266 V C -1.653 174.534 176.094 0.155 0.000 1.148 266 V CA -0.881 61.514 62.300 0.158 0.000 0.990 266 V CB 2.206 34.165 31.823 0.226 0.000 1.039 266 V HN 1.065 nan 8.190 nan 0.000 0.430 267 K N 4.003 124.426 120.400 0.038 0.000 2.435 267 K HA 0.581 4.899 4.320 -0.003 0.000 0.251 267 K C -1.978 174.546 176.600 -0.127 0.000 0.954 267 K CA -0.500 55.768 56.287 -0.032 0.000 0.820 267 K CB 2.821 35.270 32.500 -0.086 0.000 1.292 267 K HN 0.539 nan 8.250 nan 0.000 0.436 268 F N 2.363 122.020 119.950 -0.488 0.000 2.507 268 F HA 0.577 5.102 4.527 -0.003 0.000 0.325 268 F C -1.523 173.775 175.800 -0.837 0.000 1.116 268 F CA -0.694 57.009 58.000 -0.496 0.000 0.930 268 F CB 0.849 39.667 39.000 -0.303 0.000 1.146 268 F HN 0.389 nan 8.300 nan 0.000 0.447 269 F N 3.891 123.081 119.950 -1.266 0.000 2.613 269 F HA 0.779 5.304 4.527 -0.003 0.000 0.314 269 F C -0.992 174.092 175.800 -1.195 0.000 1.075 269 F CA -1.262 56.095 58.000 -1.071 0.000 0.945 269 F CB 2.031 40.386 39.000 -1.074 0.000 1.310 269 F HN 0.142 nan 8.300 nan 0.000 0.467 270 V N 2.236 121.883 119.914 -0.444 0.000 2.686 270 V HA 0.645 4.763 4.120 -0.003 0.000 0.306 270 V C -1.195 174.951 176.094 0.086 0.000 1.065 270 V CA -0.823 61.303 62.300 -0.290 0.000 0.894 270 V CB 1.970 33.419 31.823 -0.625 0.000 1.004 270 V HN 0.633 nan 8.190 nan 0.000 0.424 271 V N 4.073 124.121 119.914 0.223 0.000 2.680 271 V HA 0.534 4.652 4.120 -0.003 0.000 0.309 271 V C -0.168 176.141 176.094 0.359 0.000 1.052 271 V CA -0.662 61.803 62.300 0.274 0.000 0.908 271 V CB 2.077 34.010 31.823 0.182 0.000 1.001 271 V HN 1.013 nan 8.190 nan 0.000 0.431 272 N N 3.073 121.957 118.700 0.306 0.000 2.439 272 N HA 0.138 4.876 4.740 -0.003 0.000 0.243 272 N C 1.287 176.794 175.510 -0.004 0.000 1.088 272 N CA 0.362 53.480 53.050 0.114 0.000 0.940 272 N CB 1.099 39.614 38.487 0.047 0.000 1.180 272 N HN 0.895 nan 8.380 nan 0.000 0.505 273 T N 0.209 114.758 114.554 -0.008 0.000 2.962 273 T HA -0.111 4.237 4.350 -0.003 0.000 0.270 273 T C 1.004 175.659 174.700 -0.076 0.000 1.088 273 T CA 0.916 63.010 62.100 -0.009 0.000 1.127 273 T CB -0.000 68.960 68.868 0.153 0.000 0.883 273 T HN 0.371 nan 8.240 nan 0.000 0.493 274 D N 1.764 122.096 120.400 -0.113 0.000 2.310 274 D HA -0.022 4.616 4.640 -0.003 0.000 0.212 274 D C 2.249 178.483 176.300 -0.110 0.000 0.965 274 D CA 1.269 55.198 54.000 -0.117 0.000 0.879 274 D CB -0.140 40.570 40.800 -0.150 0.000 0.921 274 D HN 0.702 nan 8.370 nan 0.000 0.510 275 S N -0.695 114.942 115.700 -0.105 0.000 2.548 275 S HA 0.086 4.554 4.470 -0.003 0.000 0.215 275 S C 2.047 176.571 174.600 -0.127 0.000 0.976 275 S CA -0.224 57.929 58.200 -0.078 0.000 0.908 275 S CB -0.197 62.988 63.200 -0.026 0.000 0.781 275 S HN 0.164 nan 8.310 nan 0.000 0.519 276 L N 2.399 123.477 121.223 -0.242 0.000 2.043 276 L HA -0.114 4.224 4.340 -0.003 0.000 0.212 276 L C 2.781 179.344 176.870 -0.511 0.000 1.075 276 L CA 1.658 56.205 54.840 -0.489 0.000 0.752 276 L CB -0.816 40.690 42.059 -0.922 0.000 0.891 276 L HN 0.597 nan 8.230 nan 0.000 0.432 277 S N -2.866 112.633 115.700 -0.336 0.000 2.603 277 S HA 0.053 4.521 4.470 -0.003 0.000 0.220 277 S C 1.507 176.114 174.600 0.013 0.000 0.967 277 S CA 0.414 58.579 58.200 -0.058 0.000 0.920 277 S CB 0.360 63.580 63.200 0.034 0.000 0.773 277 S HN 0.252 nan 8.310 nan 0.000 0.529 278 S N 0.523 116.210 115.700 -0.022 0.000 2.549 278 S HA 0.351 4.819 4.470 -0.003 0.000 0.225 278 S C 0.365 174.978 174.600 0.022 0.000 1.039 278 S CA 0.090 58.295 58.200 0.009 0.000 0.942 278 S CB 0.879 64.079 63.200 -0.001 0.000 0.881 278 S HN 0.645 nan 8.310 nan 0.000 0.503 279 V N 0.292 120.217 119.914 0.018 0.000 2.823 279 V HA 0.589 4.707 4.120 -0.003 0.000 0.312 279 V C 1.207 177.339 176.094 0.063 0.000 1.072 279 V CA -0.345 61.977 62.300 0.036 0.000 0.937 279 V CB 1.104 32.946 31.823 0.031 0.000 1.013 279 V HN 0.250 nan 8.190 nan 0.000 0.430 280 T N -0.789 113.805 114.554 0.067 0.000 2.788 280 T HA -0.061 4.287 4.350 -0.003 0.000 0.268 280 T C 0.796 175.566 174.700 0.116 0.000 1.044 280 T CA 1.827 63.981 62.100 0.091 0.000 1.139 280 T CB -0.381 68.521 68.868 0.057 0.000 0.867 280 T HN 0.833 nan 8.240 nan 0.000 0.454 281 N N 1.071 119.821 118.700 0.083 0.000 2.675 281 N HA 0.514 5.252 4.740 -0.003 0.000 0.254 281 N C -0.934 174.629 175.510 0.087 0.000 1.224 281 N CA -0.225 52.886 53.050 0.102 0.000 0.777 281 N CB 1.118 39.612 38.487 0.012 0.000 1.256 281 N HN 0.553 nan 8.380 nan 0.000 0.531 282 A N 1.784 124.658 122.820 0.090 0.000 2.567 282 A HA 0.220 4.538 4.320 -0.003 0.000 0.240 282 A C 0.384 178.028 177.584 0.100 0.000 1.053 282 A CA 0.468 52.550 52.037 0.074 0.000 0.755 282 A CB -0.257 18.767 19.000 0.039 0.000 0.978 282 A HN 0.525 nan 8.150 nan 0.000 0.507 283 T N 3.089 117.708 114.554 0.109 0.000 2.814 283 T HA 0.270 4.618 4.350 -0.003 0.000 0.297 283 T C 0.511 175.307 174.700 0.159 0.000 0.956 283 T CA 0.251 62.425 62.100 0.124 0.000 1.123 283 T CB 0.483 69.428 68.868 0.129 0.000 0.902 283 T HN 0.558 nan 8.240 nan 0.000 0.528 284 S N 3.936 119.721 115.700 0.141 0.000 2.430 284 S HA 0.308 4.776 4.470 -0.003 0.000 0.289 284 S C 0.329 175.078 174.600 0.248 0.000 1.143 284 S CA -0.744 57.552 58.200 0.160 0.000 1.067 284 S CB -0.034 63.181 63.200 0.025 0.000 0.964 284 S HN 0.433 nan 8.310 nan 0.000 0.485 285 I N 3.811 124.534 120.570 0.256 0.000 2.352 285 I HA 0.221 4.389 4.170 -0.003 0.000 0.290 285 I C 0.678 176.896 176.117 0.168 0.000 1.036 285 I CA -0.136 61.322 61.300 0.263 0.000 1.336 285 I CB 0.732 38.962 38.000 0.384 0.000 1.407 285 I HN 0.637 nan 8.210 nan 0.000 0.497 286 Q N 6.232 126.102 119.800 0.118 0.000 2.259 286 Q HA 0.498 4.836 4.340 -0.003 0.000 0.249 286 Q C -1.102 174.828 176.000 -0.116 0.000 0.914 286 Q CA -0.444 55.226 55.803 -0.221 0.000 0.904 286 Q CB 1.369 29.909 28.738 -0.331 0.000 1.213 286 Q HN 0.558 nan 8.270 nan 0.000 0.428 287 I N 3.785 124.277 120.570 -0.130 0.000 2.382 287 I HA 0.199 4.367 4.170 -0.003 0.000 0.285 287 I C 0.087 176.215 176.117 0.018 0.000 1.007 287 I CA -0.720 60.591 61.300 0.018 0.000 1.142 287 I CB 1.632 39.692 38.000 0.101 0.000 1.289 287 I HN 0.682 nan 8.210 nan 0.000 0.453 288 T N 3.023 117.548 114.554 -0.050 0.000 2.910 288 T HA 0.635 4.983 4.350 -0.003 0.000 0.293 288 T C 0.416 174.950 174.700 -0.278 0.000 1.015 288 T CA -0.769 61.248 62.100 -0.139 0.000 1.094 288 T CB 1.597 70.375 68.868 -0.150 0.000 0.968 288 T HN 0.582 nan 8.240 nan 0.000 0.521 289 A N 4.374 126.791 122.820 -0.671 0.000 2.425 289 A HA 0.522 4.840 4.320 -0.003 0.000 0.242 289 A C -1.659 175.450 177.584 -0.792 0.000 1.077 289 A CA -1.394 49.799 52.037 -1.407 0.000 0.781 289 A CB -0.672 17.011 19.000 -2.194 0.000 1.020 289 A HN 0.842 nan 8.150 nan 0.000 0.494 290 P HA 0.121 nan 4.420 nan 0.000 0.271 290 P C 0.748 177.841 177.300 -0.346 0.000 1.233 290 P CA 0.574 63.447 63.100 -0.378 0.000 0.789 290 P CB 0.742 32.286 31.700 -0.259 0.000 0.951 291 A N 2.306 124.993 122.820 -0.220 0.000 1.940 291 A HA -0.206 4.112 4.320 -0.003 0.000 0.219 291 A C 2.280 179.759 177.584 -0.175 0.000 1.176 291 A CA 2.478 54.406 52.037 -0.181 0.000 0.631 291 A CB -1.845 17.083 19.000 -0.120 0.000 0.814 291 A HN 0.690 nan 8.150 nan 0.000 0.446 292 S N -1.286 114.329 115.700 -0.141 0.000 2.440 292 S HA -0.126 4.342 4.470 -0.003 0.000 0.238 292 S C 1.757 176.274 174.600 -0.138 0.000 1.010 292 S CA 1.653 59.792 58.200 -0.100 0.000 0.972 292 S CB -0.314 62.903 63.200 0.029 0.000 0.774 292 S HN 0.410 nan 8.310 nan 0.000 0.501 293 M N 0.772 120.219 119.600 -0.255 0.000 2.556 293 M HA 0.358 4.836 4.480 -0.003 0.000 0.264 293 M C 2.048 178.078 176.300 -0.451 0.000 1.163 293 M CA 0.656 55.733 55.300 -0.373 0.000 1.186 293 M CB -1.141 31.069 32.600 -0.650 0.000 1.321 293 M HN 0.316 nan 8.290 nan 0.000 0.485 294 L N 1.030 121.983 121.223 -0.450 0.000 2.353 294 L HA -0.153 4.185 4.340 -0.003 0.000 0.220 294 L C 2.316 179.113 176.870 -0.121 0.000 1.133 294 L CA 0.694 55.364 54.840 -0.284 0.000 0.798 294 L CB -0.939 40.970 42.059 -0.250 0.000 0.922 294 L HN 0.321 nan 8.230 nan 0.000 0.445 295 I N -2.468 118.029 120.570 -0.121 0.000 2.700 295 I HA 0.056 4.224 4.170 -0.003 0.000 0.261 295 I C 1.061 177.153 176.117 -0.043 0.000 1.219 295 I CA 0.849 62.102 61.300 -0.078 0.000 1.463 295 I CB -0.492 37.454 38.000 -0.091 0.000 1.092 295 I HN 0.108 nan 8.210 nan 0.000 0.452 296 G N -0.047 108.745 108.800 -0.014 0.000 2.682 296 G HA2 0.277 4.235 3.960 -0.003 0.000 0.303 296 G HA3 0.277 4.235 3.960 -0.003 0.000 0.303 296 G C -1.797 173.154 174.900 0.086 0.000 1.341 296 G CA -0.589 44.519 45.100 0.013 0.000 0.784 296 G HN 0.024 nan 8.290 nan 0.000 0.497 297 D N 1.093 121.496 120.400 0.005 0.000 2.423 297 D HA 0.411 5.049 4.640 -0.003 0.000 0.238 297 D C 0.380 176.628 176.300 -0.087 0.000 1.142 297 D CA 0.716 54.664 54.000 -0.087 0.000 0.884 297 D CB 0.495 41.205 40.800 -0.151 0.000 1.199 297 D HN 0.548 nan 8.370 nan 0.000 0.438 298 H N -1.030 117.897 119.070 -0.238 0.000 2.933 298 H HA 0.448 5.002 4.556 -0.003 0.000 0.310 298 H C -1.364 173.815 175.328 -0.248 0.000 1.351 298 H CA -0.786 55.121 56.048 -0.236 0.000 1.137 298 H CB 0.383 30.137 29.762 -0.014 0.000 1.853 298 H HN 0.307 nan 8.280 nan 0.000 0.539 299 Y N -0.100 120.437 120.300 0.395 0.000 2.553 299 Y HA 0.413 4.961 4.550 -0.003 0.000 0.347 299 Y C -0.499 175.705 175.900 0.507 0.000 1.019 299 Y CA -1.156 57.183 58.100 0.399 0.000 1.032 299 Y CB 1.982 40.522 38.460 0.134 0.000 1.284 299 Y HN 0.487 nan 8.280 nan 0.000 0.466 300 L N 2.912 124.507 121.223 0.622 0.000 2.257 300 L HA 0.447 4.785 4.340 -0.003 0.000 0.290 300 L C 0.334 177.252 176.870 0.081 0.000 1.044 300 L CA -0.355 54.503 54.840 0.030 0.000 0.810 300 L CB 0.461 42.455 42.059 -0.107 0.000 1.193 300 L HN 0.972 nan 8.230 nan 0.000 0.425 301 C N 1.228 120.437 119.300 -0.152 0.000 3.392 301 C HA 0.517 4.975 4.460 -0.003 0.000 0.301 301 C C 0.190 175.025 174.990 -0.258 0.000 1.354 301 C CA -0.368 58.486 59.018 -0.274 0.000 1.732 301 C CB -0.606 27.035 27.740 -0.165 0.000 2.269 301 C HN 0.847 nan 8.230 nan 0.000 0.673 302 D N 0.270 120.545 120.400 -0.209 0.000 2.836 302 D HA 0.429 5.067 4.640 -0.003 0.000 0.215 302 D C -1.843 174.199 176.300 -0.430 0.000 1.255 302 D CA 0.118 54.022 54.000 -0.162 0.000 0.822 302 D CB 2.765 43.458 40.800 -0.179 0.000 1.656 302 D HN 0.049 nan 8.370 nan 0.000 0.511 303 V N 2.593 122.183 119.914 -0.541 0.000 2.525 303 V HA 0.567 4.685 4.120 -0.003 0.000 0.299 303 V C -0.397 175.301 176.094 -0.660 0.000 1.034 303 V CA -0.361 61.370 62.300 -0.948 0.000 0.863 303 V CB 1.940 32.657 31.823 -1.843 0.000 0.999 303 V HN 0.643 nan 8.190 nan 0.000 0.423 304 T N 3.636 117.888 114.554 -0.503 0.000 3.031 304 T HA 0.341 4.689 4.350 -0.003 0.000 0.305 304 T C -0.910 173.652 174.700 -0.230 0.000 0.985 304 T CA -0.459 61.511 62.100 -0.218 0.000 1.008 304 T CB 0.808 69.635 68.868 -0.067 0.000 1.005 304 T HN 0.526 nan 8.240 nan 0.000 0.444 305 W N 2.189 123.433 121.300 -0.093 0.000 2.216 305 W HA 0.473 5.131 4.660 -0.003 0.000 0.326 305 W C 1.147 177.541 176.519 -0.210 0.000 1.319 305 W CA -0.334 56.947 57.345 -0.107 0.000 1.213 305 W CB 0.603 30.082 29.460 0.033 0.000 1.171 305 W HN 0.853 nan 8.180 nan 0.000 0.557 306 A N 2.116 124.808 122.820 -0.213 0.000 1.942 306 A HA 0.189 4.507 4.320 -0.003 0.000 0.209 306 A C 0.911 178.443 177.584 -0.086 0.000 1.214 306 A CA 1.529 53.201 52.037 -0.608 0.000 0.686 306 A CB -0.306 17.831 19.000 -1.438 0.000 0.871 306 A HN 0.534 nan 8.150 nan 0.000 0.460 307 T N -5.659 108.949 114.554 0.089 0.000 2.647 307 T HA 0.336 4.684 4.350 -0.003 0.000 0.295 307 T C 0.130 174.985 174.700 0.259 0.000 1.126 307 T CA -0.350 61.845 62.100 0.158 0.000 1.040 307 T CB 0.645 69.590 68.868 0.129 0.000 1.472 307 T HN -0.048 nan 8.240 nan 0.000 0.500 308 Q N 0.336 120.255 119.800 0.198 0.000 2.291 308 Q HA 0.029 4.367 4.340 -0.003 0.000 0.206 308 Q C 0.773 177.015 176.000 0.403 0.000 0.976 308 Q CA 1.464 57.388 55.803 0.201 0.000 0.875 308 Q CB -0.129 28.695 28.738 0.142 0.000 0.927 308 Q HN 0.823 nan 8.270 nan 0.000 0.450 309 E N -0.123 120.319 120.200 0.403 0.000 2.887 309 E HA 0.216 4.564 4.350 -0.003 0.000 0.206 309 E C -0.313 176.548 176.600 0.435 0.000 0.983 309 E CA -0.170 56.492 56.400 0.437 0.000 1.141 309 E CB 0.965 30.835 29.700 0.285 0.000 1.061 309 E HN -0.034 nan 8.360 nan 0.000 0.468 310 R N 1.547 122.337 120.500 0.483 0.000 2.533 310 R HA 0.520 4.858 4.340 -0.003 0.000 0.288 310 R C -1.830 174.524 176.300 0.090 0.000 1.039 310 R CA -0.460 55.801 56.100 0.269 0.000 0.909 310 R CB 1.335 31.677 30.300 0.071 0.000 1.195 310 R HN 0.099 nan 8.270 nan 0.000 0.438 311 I N 2.891 123.354 120.570 -0.179 0.000 2.689 311 I HA 0.475 4.643 4.170 -0.003 0.000 0.299 311 I C -0.993 174.832 176.117 -0.486 0.000 1.059 311 I CA -0.536 60.392 61.300 -0.621 0.000 1.055 311 I CB 2.320 39.504 38.000 -1.360 0.000 1.243 311 I HN 0.842 nan 8.210 nan 0.000 0.425 312 S N 7.512 122.909 115.700 -0.505 0.000 2.472 312 S HA 0.770 5.238 4.470 -0.003 0.000 0.303 312 S C -1.062 173.229 174.600 -0.514 0.000 1.099 312 S CA -0.715 57.263 58.200 -0.369 0.000 1.077 312 S CB 1.498 64.601 63.200 -0.161 0.000 1.031 312 S HN 0.550 nan 8.310 nan 0.000 0.487 313 L N 2.162 123.089 121.223 -0.494 0.000 2.386 313 L HA 0.567 4.905 4.340 -0.003 0.000 0.271 313 L C -0.393 176.158 176.870 -0.530 0.000 0.993 313 L CA -0.709 53.713 54.840 -0.696 0.000 0.819 313 L CB 2.159 43.682 42.059 -0.894 0.000 1.294 313 L HN 0.679 nan 8.230 nan 0.000 0.414 314 Q N 1.692 121.140 119.800 -0.587 0.000 2.333 314 Q HA 0.447 4.785 4.340 -0.003 0.000 0.267 314 Q C -1.755 174.007 176.000 -0.398 0.000 1.012 314 Q CA -0.587 55.007 55.803 -0.348 0.000 0.824 314 Q CB 2.548 31.143 28.738 -0.238 0.000 1.290 314 Q HN 0.428 nan 8.270 nan 0.000 0.449 315 W N 2.381 123.636 121.300 -0.076 0.000 2.689 315 W HA 0.626 5.284 4.660 -0.003 0.000 0.340 315 W C -0.877 175.673 176.519 0.051 0.000 1.060 315 W CA -0.686 56.663 57.345 0.007 0.000 1.218 315 W CB 1.142 30.587 29.460 -0.025 0.000 1.410 315 W HN 0.387 nan 8.180 nan 0.000 0.528 316 L N 2.708 124.164 121.223 0.388 0.000 2.410 316 L HA 0.571 4.909 4.340 -0.003 0.000 0.270 316 L C -0.143 176.919 176.870 0.319 0.000 0.983 316 L CA -1.115 53.910 54.840 0.308 0.000 0.822 316 L CB 1.333 43.558 42.059 0.276 0.000 1.285 316 L HN 0.405 nan 8.230 nan 0.000 0.409 317 R N 2.519 123.168 120.500 0.248 0.000 2.641 317 R HA 0.222 4.560 4.340 -0.003 0.000 0.269 317 R C 1.023 177.373 176.300 0.083 0.000 1.074 317 R CA -0.142 56.048 56.100 0.150 0.000 1.133 317 R CB 0.580 30.959 30.300 0.132 0.000 1.029 317 R HN 0.657 nan 8.270 nan 0.000 0.488 318 R N 1.432 121.887 120.500 -0.076 0.000 2.127 318 R HA -0.086 4.252 4.340 -0.003 0.000 0.238 318 R C 0.361 176.701 176.300 0.066 0.000 1.134 318 R CA 1.153 57.187 56.100 -0.110 0.000 0.975 318 R CB 0.179 30.376 30.300 -0.173 0.000 0.865 318 R HN 0.383 nan 8.270 nan 0.000 0.447 319 I N 2.869 123.470 120.570 0.051 0.000 2.278 319 I HA 0.014 4.182 4.170 -0.003 0.000 0.296 319 I C 0.215 176.389 176.117 0.097 0.000 1.121 319 I CA 0.308 61.643 61.300 0.059 0.000 1.267 319 I CB 0.856 38.877 38.000 0.035 0.000 1.447 319 I HN 0.259 nan 8.210 nan 0.000 0.509 320 Q N 4.228 124.088 119.800 0.100 0.000 2.294 320 Q HA -0.089 4.249 4.340 -0.003 0.000 0.207 320 Q C 0.591 176.672 176.000 0.134 0.000 0.887 320 Q CA 0.180 56.057 55.803 0.123 0.000 0.987 320 Q CB -0.363 28.413 28.738 0.063 0.000 1.101 320 Q HN 0.615 nan 8.270 nan 0.000 0.447 321 N N -0.891 117.891 118.700 0.136 0.000 2.235 321 N HA -0.023 4.715 4.740 -0.003 0.000 0.231 321 N C -1.110 174.512 175.510 0.187 0.000 1.177 321 N CA -0.239 52.884 53.050 0.122 0.000 0.874 321 N CB 0.304 38.839 38.487 0.081 0.000 1.097 321 N HN 0.195 nan 8.380 nan 0.000 0.518 322 Y N 0.012 120.340 120.300 0.045 0.000 2.361 322 Y HA 0.569 5.117 4.550 -0.003 0.000 0.328 322 Y C -1.237 174.700 175.900 0.061 0.000 1.044 322 Y CA -0.796 57.329 58.100 0.042 0.000 1.085 322 Y CB 1.836 40.312 38.460 0.027 0.000 1.194 322 Y HN 0.009 nan 8.280 nan 0.000 0.438 323 S N 4.292 119.863 115.700 -0.215 0.000 2.548 323 S HA 0.881 5.349 4.470 -0.003 0.000 0.286 323 S C -2.010 172.475 174.600 -0.192 0.000 1.098 323 S CA -0.506 57.643 58.200 -0.085 0.000 0.930 323 S CB 1.396 64.574 63.200 -0.036 0.000 1.070 323 S HN 0.462 nan 8.310 nan 0.000 0.480 324 V N 4.879 124.784 119.914 -0.016 0.000 2.638 324 V HA 0.536 4.654 4.120 -0.003 0.000 0.306 324 V C -0.379 175.755 176.094 0.068 0.000 1.052 324 V CA -0.626 61.675 62.300 0.002 0.000 0.885 324 V CB 1.775 33.633 31.823 0.057 0.000 0.999 324 V HN 0.938 nan 8.190 nan 0.000 0.424 325 M N 3.969 123.580 119.600 0.018 0.000 2.149 325 M HA 0.527 5.005 4.480 -0.003 0.000 0.342 325 M C -1.404 174.918 176.300 0.037 0.000 1.068 325 M CA -0.337 54.953 55.300 -0.016 0.000 0.991 325 M CB 1.174 33.710 32.600 -0.107 0.000 1.596 325 M HN 0.593 nan 8.290 nan 0.000 0.439 326 D N 5.264 125.677 120.400 0.022 0.000 2.163 326 D HA 0.528 5.166 4.640 -0.003 0.000 0.248 326 D C -0.893 175.390 176.300 -0.029 0.000 1.035 326 D CA -0.038 53.976 54.000 0.024 0.000 0.872 326 D CB 1.947 42.781 40.800 0.057 0.000 1.183 326 D HN 0.613 nan 8.370 nan 0.000 0.445 327 I N 2.224 122.802 120.570 0.014 0.000 2.410 327 I HA 0.269 4.437 4.170 -0.003 0.000 0.286 327 I C -0.601 175.527 176.117 0.018 0.000 1.009 327 I CA -0.589 60.714 61.300 0.004 0.000 1.111 327 I CB 1.279 39.340 38.000 0.103 0.000 1.262 327 I HN 0.170 nan 8.210 nan 0.000 0.443 328 c N 3.844 122.446 118.600 0.003 0.000 2.379 328 c HA 0.553 5.121 4.570 -0.003 0.000 0.323 328 c C -0.299 173.943 174.090 0.253 0.000 1.262 328 c CA -0.795 55.604 56.329 0.116 0.000 1.581 328 c CB 0.944 43.527 42.510 0.123 0.000 2.221 328 c HN 0.576 nan 8.230 nan 0.000 0.497 329 D N 0.350 120.869 120.400 0.199 0.000 2.198 329 D HA 0.320 4.958 4.640 -0.003 0.000 0.247 329 D C -0.616 175.609 176.300 -0.126 0.000 1.010 329 D CA -0.228 53.839 54.000 0.112 0.000 0.880 329 D CB 0.836 41.656 40.800 0.033 0.000 1.209 329 D HN 0.581 nan 8.370 nan 0.000 0.451 330 Y N 1.300 121.199 120.300 -0.668 0.000 2.377 330 Y HA 0.212 4.760 4.550 -0.003 0.000 0.330 330 Y C -0.181 175.414 175.900 -0.508 0.000 1.108 330 Y CA -0.356 57.032 58.100 -1.186 0.000 1.308 330 Y CB 0.755 38.441 38.460 -1.289 0.000 1.216 330 Y HN 0.165 nan 8.280 nan 0.000 0.518 331 D N 5.306 125.067 120.400 -1.065 0.000 2.473 331 D HA 0.077 4.715 4.640 -0.003 0.000 0.226 331 D C 0.842 176.562 176.300 -0.965 0.000 1.089 331 D CA -0.107 53.461 54.000 -0.720 0.000 0.883 331 D CB 0.448 40.999 40.800 -0.414 0.000 1.029 331 D HN 0.840 nan 8.370 nan 0.000 0.517 332 E N 1.825 121.565 120.200 -0.766 0.000 2.273 332 E HA -0.226 4.122 4.350 -0.003 0.000 0.198 332 E C 1.147 177.606 176.600 -0.234 0.000 1.002 332 E CA 1.279 57.418 56.400 -0.436 0.000 0.828 332 E CB 0.350 29.991 29.700 -0.098 0.000 0.747 332 E HN 0.487 nan 8.360 nan 0.000 0.491 333 S N -0.899 114.667 115.700 -0.223 0.000 2.470 333 S HA -0.030 4.438 4.470 -0.003 0.000 0.222 333 S C 1.889 176.421 174.600 -0.114 0.000 1.024 333 S CA 0.662 58.788 58.200 -0.124 0.000 0.931 333 S CB 0.357 63.499 63.200 -0.096 0.000 0.791 333 S HN 0.231 nan 8.310 nan 0.000 0.513 334 S N -0.224 115.373 115.700 -0.172 0.000 2.540 334 S HA 0.485 4.953 4.470 -0.003 0.000 0.222 334 S C 1.561 176.104 174.600 -0.095 0.000 1.008 334 S CA 0.472 58.605 58.200 -0.112 0.000 0.939 334 S CB -0.263 62.874 63.200 -0.105 0.000 0.865 334 S HN 1.441 nan 8.310 nan 0.000 0.499 335 G N 2.107 110.790 108.800 -0.195 0.000 2.203 335 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.263 335 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.263 335 G C 0.121 175.059 174.900 0.064 0.000 1.012 335 G CA 0.362 45.457 45.100 -0.008 0.000 0.749 335 G HN 0.530 nan 8.290 nan 0.000 0.512 336 R N -1.788 118.622 120.500 -0.150 0.000 2.893 336 R HA 0.710 5.048 4.340 -0.003 0.000 0.245 336 R C -0.801 175.397 176.300 -0.171 0.000 1.192 336 R CA -0.964 55.134 56.100 -0.004 0.000 1.077 336 R CB 0.623 30.928 30.300 0.009 0.000 1.253 336 R HN 0.177 nan 8.270 nan 0.000 0.505 337 W N 0.300 121.622 121.300 0.037 0.000 2.600 337 W HA 0.421 5.079 4.660 -0.003 0.000 0.325 337 W C -0.426 176.086 176.519 -0.013 0.000 1.034 337 W CA -0.365 56.995 57.345 0.024 0.000 1.226 337 W CB 1.180 30.654 29.460 0.024 0.000 1.379 337 W HN 0.398 nan 8.180 nan 0.000 0.466 338 N N 1.991 120.775 118.700 0.141 0.000 2.314 338 N HA 0.570 5.308 4.740 -0.003 0.000 0.294 338 N C -1.554 174.003 175.510 0.078 0.000 1.029 338 N CA -0.666 52.429 53.050 0.075 0.000 0.845 338 N CB 1.349 39.839 38.487 0.005 0.000 1.321 338 N HN 0.186 nan 8.380 nan 0.000 0.481 339 c N 2.772 121.404 118.600 0.053 0.000 2.258 339 c HA 0.391 4.959 4.570 -0.003 0.000 0.321 339 c C 0.373 174.471 174.090 0.014 0.000 1.168 339 c CA -1.130 55.222 56.329 0.038 0.000 1.531 339 c CB -1.280 41.247 42.510 0.028 0.000 2.095 339 c HN 0.604 nan 8.230 nan 0.000 0.449 340 L N 2.729 123.961 121.223 0.015 0.000 2.455 340 L HA 0.057 4.395 4.340 -0.003 0.000 0.272 340 L C 1.628 178.491 176.870 -0.012 0.000 1.174 340 L CA 0.222 55.063 54.840 0.001 0.000 0.869 340 L CB 0.614 42.677 42.059 0.007 0.000 1.130 340 L HN 0.669 nan 8.230 nan 0.000 0.474 341 V N 4.278 124.177 119.914 -0.025 0.000 2.594 341 V HA -0.263 3.855 4.120 -0.003 0.000 0.253 341 V C 2.235 178.294 176.094 -0.058 0.000 1.069 341 V CA 2.128 64.403 62.300 -0.040 0.000 1.082 341 V CB -0.037 31.763 31.823 -0.039 0.000 0.680 341 V HN 0.994 nan 8.190 nan 0.000 0.469 342 A N -0.140 122.653 122.820 -0.044 0.000 2.121 342 A HA -0.086 4.232 4.320 -0.003 0.000 0.218 342 A C 2.172 179.712 177.584 -0.073 0.000 1.154 342 A CA 1.400 53.406 52.037 -0.052 0.000 0.679 342 A CB -0.404 18.581 19.000 -0.025 0.000 0.795 342 A HN 0.639 nan 8.150 nan 0.000 0.458 343 R N -0.947 119.523 120.500 -0.049 0.000 2.432 343 R HA 0.158 4.496 4.340 -0.003 0.000 0.260 343 R C 0.491 176.752 176.300 -0.065 0.000 0.935 343 R CA -0.159 55.941 56.100 0.000 0.000 1.080 343 R CB 0.252 30.610 30.300 0.096 0.000 1.155 343 R HN 0.602 nan 8.270 nan 0.000 0.531 344 Q N 0.888 120.585 119.800 -0.170 0.000 2.267 344 Q HA 0.114 4.452 4.340 -0.003 0.000 0.255 344 Q C -1.155 174.636 176.000 -0.349 0.000 0.923 344 Q CA -0.224 55.498 55.803 -0.134 0.000 0.925 344 Q CB 0.717 29.408 28.738 -0.078 0.000 1.195 344 Q HN 0.217 nan 8.270 nan 0.000 0.417 345 H N 2.775 121.838 119.070 -0.013 0.000 2.538 345 H HA 0.448 5.002 4.556 -0.003 0.000 0.353 345 H C -0.758 174.529 175.328 -0.068 0.000 1.109 345 H CA -0.504 55.534 56.048 -0.017 0.000 1.192 345 H CB 1.293 31.035 29.762 -0.033 0.000 1.555 345 H HN 0.524 nan 8.280 nan 0.000 0.518 346 I N 1.887 122.463 120.570 0.011 0.000 2.392 346 I HA 0.267 4.435 4.170 -0.003 0.000 0.295 346 I C -0.100 175.951 176.117 -0.109 0.000 0.985 346 I CA -0.315 60.904 61.300 -0.135 0.000 1.221 346 I CB 1.495 39.391 38.000 -0.173 0.000 1.366 346 I HN 0.556 nan 8.210 nan 0.000 0.467 347 E N 7.944 128.022 120.200 -0.204 0.000 2.244 347 E HA 0.570 4.918 4.350 -0.003 0.000 0.260 347 E C -1.185 175.315 176.600 -0.168 0.000 0.884 347 E CA -0.646 55.687 56.400 -0.111 0.000 0.777 347 E CB 1.532 31.198 29.700 -0.057 0.000 1.197 347 E HN 0.606 nan 8.360 nan 0.000 0.416 348 M N 1.021 120.570 119.600 -0.085 0.000 2.704 348 M HA 0.674 5.152 4.480 -0.003 0.000 0.284 348 M C -1.123 175.185 176.300 0.014 0.000 1.275 348 M CA -0.939 54.347 55.300 -0.023 0.000 0.811 348 M CB 2.317 34.947 32.600 0.050 0.000 1.741 348 M HN 0.245 nan 8.290 nan 0.000 0.458 349 S N -0.549 115.168 115.700 0.028 0.000 2.575 349 S HA 0.537 5.005 4.470 -0.003 0.000 0.278 349 S C 0.178 174.778 174.600 0.001 0.000 1.139 349 S CA 0.002 58.202 58.200 -0.001 0.000 0.954 349 S CB 1.770 64.938 63.200 -0.052 0.000 1.054 349 S HN 0.913 nan 8.310 nan 0.000 0.483 350 T N 0.166 114.721 114.554 0.001 0.000 3.037 350 T HA 0.047 4.395 4.350 -0.003 0.000 0.252 350 T C 1.614 176.304 174.700 -0.017 0.000 1.073 350 T CA 1.011 63.112 62.100 0.002 0.000 1.091 350 T CB -0.436 68.438 68.868 0.010 0.000 0.935 350 T HN 0.692 nan 8.240 nan 0.000 0.488 351 T N -1.743 112.797 114.554 -0.023 0.000 3.037 351 T HA 0.573 4.921 4.350 -0.003 0.000 0.252 351 T C 1.189 175.750 174.700 -0.231 0.000 1.073 351 T CA 0.416 62.506 62.100 -0.017 0.000 1.091 351 T CB 0.243 69.175 68.868 0.106 0.000 0.935 351 T HN 0.581 nan 8.240 nan 0.000 0.488 352 G N 0.279 108.765 108.800 -0.523 0.000 2.894 352 G HA2 0.506 4.464 3.960 -0.003 0.000 0.164 352 G HA3 0.506 4.464 3.960 -0.003 0.000 0.164 352 G C -1.582 173.042 174.900 -0.461 0.000 1.180 352 G CA -0.624 43.886 45.100 -0.984 0.000 0.997 352 G HN 0.503 nan 8.290 nan 0.000 0.572 353 W N -0.303 120.734 121.300 -0.439 0.000 2.353 353 W HA 0.763 5.421 4.660 -0.003 0.000 0.377 353 W C -0.456 176.010 176.519 -0.088 0.000 1.375 353 W CA -1.316 55.903 57.345 -0.210 0.000 1.503 353 W CB 0.714 30.020 29.460 -0.256 0.000 1.345 353 W HN 0.254 nan 8.180 nan 0.000 0.683 354 V N 2.957 122.951 119.914 0.134 0.000 2.432 354 V HA 0.676 4.794 4.120 -0.003 0.000 0.275 354 V C 0.768 176.939 176.094 0.130 0.000 1.043 354 V CA 0.449 62.784 62.300 0.059 0.000 0.925 354 V CB 0.008 31.865 31.823 0.056 0.000 0.985 354 V HN 1.255 nan 8.190 nan 0.000 0.466 355 G N 5.235 114.067 108.800 0.054 0.000 2.795 355 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.664 355 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.664 355 G C 0.362 175.360 174.900 0.163 0.000 1.381 355 G CA 0.143 45.303 45.100 0.101 0.000 0.853 355 G HN 0.644 nan 8.290 nan 0.000 0.545 356 R N -0.689 119.898 120.500 0.145 0.000 2.066 356 R HA 0.078 4.416 4.340 -0.003 0.000 0.232 356 R C 1.837 178.089 176.300 -0.080 0.000 1.131 356 R CA 2.210 58.352 56.100 0.069 0.000 0.955 356 R CB -0.097 30.262 30.300 0.099 0.000 0.851 356 R HN 0.487 nan 8.270 nan 0.000 0.432 357 F N -0.990 119.107 119.950 0.245 0.000 2.871 357 F HA 0.265 4.790 4.527 -0.003 0.000 0.344 357 F C 0.108 175.931 175.800 0.037 0.000 1.078 357 F CA -0.500 57.573 58.000 0.122 0.000 1.149 357 F CB 0.816 39.882 39.000 0.111 0.000 1.087 357 F HN -0.095 nan 8.300 nan 0.000 0.557 358 R N -1.713 118.917 120.500 0.218 0.000 3.033 358 R HA 0.336 4.674 4.340 -0.003 0.000 0.284 358 R C -3.402 172.956 176.300 0.096 0.000 0.997 358 R CA -1.756 54.405 56.100 0.102 0.000 0.851 358 R CB -0.188 30.122 30.300 0.018 0.000 1.297 358 R HN -0.363 nan 8.270 nan 0.000 0.518 359 P HA -0.020 nan 4.420 nan 0.000 0.265 359 P C -0.289 177.027 177.300 0.028 0.000 1.187 359 P CA 0.115 63.230 63.100 0.026 0.000 0.766 359 P CB 0.694 32.384 31.700 -0.016 0.000 0.820 360 S N 1.819 117.545 115.700 0.043 0.000 2.593 360 S HA 0.165 4.633 4.470 -0.003 0.000 0.269 360 S C 0.197 174.807 174.600 0.016 0.000 1.334 360 S CA -0.704 57.536 58.200 0.068 0.000 1.015 360 S CB 0.427 63.689 63.200 0.102 0.000 0.912 360 S HN 0.531 nan 8.310 nan 0.000 0.541 361 E N 1.351 121.577 120.200 0.042 0.000 2.313 361 E HA 0.415 4.763 4.350 -0.003 0.000 0.272 361 E C -2.797 173.758 176.600 -0.076 0.000 1.038 361 E CA -2.160 54.212 56.400 -0.046 0.000 0.863 361 E CB 0.502 30.176 29.700 -0.042 0.000 1.060 361 E HN 0.465 nan 8.360 nan 0.000 0.402 362 P HA 0.277 nan 4.420 nan 0.000 0.284 362 P C -0.809 176.320 177.300 -0.285 0.000 1.258 362 P CA -0.457 62.460 63.100 -0.306 0.000 0.824 362 P CB 0.963 32.117 31.700 -0.910 0.000 1.038 363 H N 1.738 120.801 119.070 -0.010 0.000 2.762 363 H HA 0.296 4.850 4.556 -0.003 0.000 0.310 363 H C -0.378 175.071 175.328 0.201 0.000 1.004 363 H CA -0.320 55.823 56.048 0.158 0.000 1.267 363 H CB 0.300 30.188 29.762 0.209 0.000 1.437 363 H HN 0.304 nan 8.280 nan 0.000 0.498 364 F N 1.960 122.087 119.950 0.296 0.000 2.399 364 F HA 0.056 4.581 4.527 -0.003 0.000 0.342 364 F C 1.617 177.608 175.800 0.320 0.000 1.106 364 F CA -0.447 57.740 58.000 0.311 0.000 1.196 364 F CB 0.998 40.113 39.000 0.192 0.000 1.163 364 F HN 0.370 nan 8.300 nan 0.000 0.547 365 T N 0.841 115.704 114.554 0.514 0.000 2.802 365 T HA 0.084 4.432 4.350 -0.003 0.000 0.305 365 T C 1.156 176.054 174.700 0.329 0.000 1.053 365 T CA -0.806 61.534 62.100 0.400 0.000 1.058 365 T CB 0.760 69.849 68.868 0.369 0.000 0.988 365 T HN 0.597 nan 8.240 nan 0.000 0.539 366 L N 1.425 122.795 121.223 0.245 0.000 1.997 366 L HA -0.145 4.193 4.340 -0.003 0.000 0.216 366 L C 2.152 179.130 176.870 0.180 0.000 1.074 366 L CA 2.610 57.565 54.840 0.193 0.000 0.763 366 L CB -1.148 41.000 42.059 0.148 0.000 0.890 366 L HN 0.968 nan 8.230 nan 0.000 0.434 367 D N -1.155 119.351 120.400 0.177 0.000 2.378 367 D HA 0.034 4.672 4.640 -0.003 0.000 0.227 367 D C 1.625 178.027 176.300 0.171 0.000 1.012 367 D CA 0.779 54.871 54.000 0.154 0.000 0.905 367 D CB -0.740 40.141 40.800 0.136 0.000 0.895 367 D HN 0.518 nan 8.370 nan 0.000 0.532 368 G N 0.639 109.576 108.800 0.228 0.000 2.166 368 G HA2 -0.363 3.595 3.960 -0.003 0.000 0.260 368 G HA3 -0.363 3.595 3.960 -0.003 0.000 0.260 368 G C 0.886 175.969 174.900 0.304 0.000 0.986 368 G CA 0.459 45.706 45.100 0.244 0.000 0.683 368 G HN 0.418 nan 8.290 nan 0.000 0.527 369 N N 0.041 118.903 118.700 0.270 0.000 2.353 369 N HA 0.177 4.915 4.740 -0.003 0.000 0.185 369 N C 0.874 176.505 175.510 0.202 0.000 1.098 369 N CA 1.086 54.267 53.050 0.219 0.000 0.872 369 N CB 0.512 39.084 38.487 0.143 0.000 0.970 369 N HN 0.866 nan 8.380 nan 0.000 0.467 370 S N -0.328 115.523 115.700 0.253 0.000 2.596 370 S HA 0.770 5.238 4.470 -0.003 0.000 0.270 370 S C -0.962 173.710 174.600 0.121 0.000 1.155 370 S CA -0.974 57.233 58.200 0.012 0.000 0.827 370 S CB 1.832 64.938 63.200 -0.157 0.000 1.130 370 S HN 0.126 nan 8.310 nan 0.000 0.467 371 F N -1.943 117.822 119.950 -0.308 0.000 2.713 371 F HA 0.825 5.350 4.527 -0.003 0.000 0.311 371 F C -2.225 173.387 175.800 -0.313 0.000 1.141 371 F CA -1.531 56.249 58.000 -0.368 0.000 0.939 371 F CB 0.583 38.971 39.000 -1.020 0.000 1.325 371 F HN 0.598 nan 8.300 nan 0.000 0.453 372 Y N 1.145 121.604 120.300 0.266 0.000 2.409 372 Y HA 0.711 5.259 4.550 -0.003 0.000 0.339 372 Y C -0.259 175.810 175.900 0.281 0.000 1.033 372 Y CA -0.903 57.338 58.100 0.234 0.000 1.094 372 Y CB 2.189 40.739 38.460 0.150 0.000 1.210 372 Y HN 0.759 nan 8.280 nan 0.000 0.456 373 K N 2.567 123.190 120.400 0.372 0.000 2.542 373 K HA 0.537 4.855 4.320 -0.003 0.000 0.259 373 K C -1.793 174.942 176.600 0.225 0.000 0.932 373 K CA -0.530 55.930 56.287 0.287 0.000 0.820 373 K CB 1.591 34.220 32.500 0.215 0.000 1.345 373 K HN 0.724 nan 8.250 nan 0.000 0.432 374 I N 6.297 126.976 120.570 0.180 0.000 2.416 374 I HA 0.285 4.453 4.170 -0.003 0.000 0.288 374 I C 0.126 176.333 176.117 0.150 0.000 1.051 374 I CA -0.310 61.076 61.300 0.145 0.000 1.375 374 I CB 0.385 38.453 38.000 0.114 0.000 1.407 374 I HN 0.506 nan 8.210 nan 0.000 0.516 375 I N 1.899 122.586 120.570 0.194 0.000 2.994 375 I HA 0.448 4.616 4.170 -0.003 0.000 0.306 375 I C -0.386 175.859 176.117 0.213 0.000 1.195 375 I CA -0.823 60.593 61.300 0.193 0.000 1.001 375 I CB 2.135 40.268 38.000 0.222 0.000 1.244 375 I HN 0.326 nan 8.210 nan 0.000 0.437 376 S N 2.743 118.506 115.700 0.105 0.000 2.510 376 S HA 0.237 4.705 4.470 -0.003 0.000 0.279 376 S C 0.042 174.670 174.600 0.047 0.000 1.284 376 S CA -0.463 57.739 58.200 0.003 0.000 1.059 376 S CB -0.301 62.847 63.200 -0.087 0.000 0.901 376 S HN 0.807 nan 8.310 nan 0.000 0.491 377 N N 3.944 122.557 118.700 -0.144 0.000 2.374 377 N HA 0.155 4.893 4.740 -0.003 0.000 0.284 377 N C 0.693 176.096 175.510 -0.178 0.000 1.280 377 N CA -0.256 52.563 53.050 -0.385 0.000 0.963 377 N CB -0.161 37.739 38.487 -0.978 0.000 1.141 377 N HN 0.667 nan 8.380 nan 0.000 0.565 378 E N -0.839 119.253 120.200 -0.181 0.000 2.268 378 E HA -0.124 4.224 4.350 -0.003 0.000 0.195 378 E C 0.597 177.144 176.600 -0.088 0.000 0.995 378 E CA 0.867 57.211 56.400 -0.094 0.000 0.836 378 E CB -0.107 29.549 29.700 -0.074 0.000 0.763 378 E HN 0.640 nan 8.360 nan 0.000 0.491 379 E N -0.576 119.569 120.200 -0.091 0.000 2.479 379 E HA 0.058 4.406 4.350 -0.003 0.000 0.193 379 E C 0.940 177.525 176.600 -0.025 0.000 1.049 379 E CA 0.287 56.679 56.400 -0.013 0.000 0.870 379 E CB 0.648 30.377 29.700 0.048 0.000 0.944 379 E HN 0.326 nan 8.360 nan 0.000 0.492 380 G N 0.861 109.590 108.800 -0.119 0.000 2.141 380 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.231 380 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.231 380 G C -0.414 174.230 174.900 -0.428 0.000 0.984 380 G CA -0.247 44.683 45.100 -0.283 0.000 0.660 380 G HN 0.202 nan 8.290 nan 0.000 0.525 381 Y N 0.449 120.613 120.300 -0.226 0.000 2.360 381 Y HA 0.641 5.189 4.550 -0.003 0.000 0.337 381 Y C 1.151 176.865 175.900 -0.310 0.000 1.039 381 Y CA -0.928 57.015 58.100 -0.262 0.000 1.109 381 Y CB 1.032 39.347 38.460 -0.241 0.000 1.201 381 Y HN 0.079 nan 8.280 nan 0.000 0.458 382 R N 3.793 124.144 120.500 -0.249 0.000 2.296 382 R HA 0.254 4.592 4.340 -0.003 0.000 0.323 382 R C -0.742 175.256 176.300 -0.502 0.000 1.067 382 R CA -0.034 55.929 56.100 -0.229 0.000 0.946 382 R CB 0.074 30.300 30.300 -0.123 0.000 0.991 382 R HN 0.651 nan 8.270 nan 0.000 0.448 383 H N 1.663 120.712 119.070 -0.036 0.000 2.949 383 H HA 0.345 4.899 4.556 -0.003 0.000 0.356 383 H C -0.080 175.314 175.328 0.109 0.000 1.212 383 H CA -0.982 55.022 56.048 -0.073 0.000 1.136 383 H CB 1.608 31.233 29.762 -0.229 0.000 1.869 383 H HN 0.318 nan 8.280 nan 0.000 0.556 384 I N 1.268 121.920 120.570 0.136 0.000 2.416 384 I HA 0.039 4.207 4.170 -0.003 0.000 0.288 384 I C 0.354 176.508 176.117 0.062 0.000 1.051 384 I CA 0.137 61.483 61.300 0.077 0.000 1.375 384 I CB 0.335 38.295 38.000 -0.067 0.000 1.407 384 I HN 0.134 nan 8.210 nan 0.000 0.516 385 c N 7.164 125.733 118.600 -0.052 0.000 2.382 385 c HA 0.420 4.988 4.570 -0.003 0.000 0.327 385 c C -0.392 173.564 174.090 -0.223 0.000 1.250 385 c CA -0.471 55.600 56.329 -0.430 0.000 1.707 385 c CB 0.845 42.850 42.510 -0.843 0.000 2.272 385 c HN 0.627 nan 8.230 nan 0.000 0.506 386 Y N 4.567 124.540 120.300 -0.544 0.000 2.335 386 Y HA 0.647 5.195 4.550 -0.003 0.000 0.339 386 Y C -0.967 174.487 175.900 -0.743 0.000 0.987 386 Y CA -0.924 56.810 58.100 -0.610 0.000 1.140 386 Y CB 0.285 38.469 38.460 -0.459 0.000 1.173 386 Y HN 0.631 nan 8.280 nan 0.000 0.486 387 F N 3.863 123.058 119.950 -1.259 0.000 2.480 387 F HA 0.425 4.950 4.527 -0.003 0.000 0.329 387 F C -0.123 174.917 175.800 -1.267 0.000 1.091 387 F CA -0.949 56.271 58.000 -1.300 0.000 0.972 387 F CB 1.699 39.546 39.000 -1.921 0.000 1.150 387 F HN 0.311 nan 8.300 nan 0.000 0.467 388 Q N 2.424 121.881 119.800 -0.571 0.000 2.256 388 Q HA 0.345 4.683 4.340 -0.003 0.000 0.257 388 Q C 0.846 176.800 176.000 -0.077 0.000 0.936 388 Q CA -0.265 55.334 55.803 -0.340 0.000 0.903 388 Q CB 1.437 30.043 28.738 -0.220 0.000 1.263 388 Q HN 0.695 nan 8.270 nan 0.000 0.440 389 I N -0.213 120.406 120.570 0.081 0.000 2.454 389 I HA -0.099 4.069 4.170 -0.003 0.000 0.254 389 I C 0.475 176.796 176.117 0.340 0.000 1.156 389 I CA 1.512 63.012 61.300 0.333 0.000 1.433 389 I CB -0.038 38.182 38.000 0.367 0.000 1.082 389 I HN 0.484 nan 8.210 nan 0.000 0.432 390 D N 0.746 121.246 120.400 0.166 0.000 2.501 390 D HA 0.205 4.843 4.640 -0.003 0.000 0.226 390 D C -0.082 176.243 176.300 0.042 0.000 1.198 390 D CA -0.301 53.752 54.000 0.087 0.000 0.830 390 D CB 0.038 40.870 40.800 0.054 0.000 1.014 390 D HN 0.389 nan 8.370 nan 0.000 0.496 391 K N 0.506 120.954 120.400 0.080 0.000 2.426 391 K HA 0.272 4.590 4.320 -0.003 0.000 0.254 391 K C 0.537 177.189 176.600 0.085 0.000 0.936 391 K CA -0.837 55.465 56.287 0.025 0.000 0.801 391 K CB 2.249 34.728 32.500 -0.036 0.000 1.139 391 K HN -0.302 nan 8.250 nan 0.000 0.424 392 K N 0.605 121.018 120.400 0.021 0.000 2.228 392 K HA 0.022 4.340 4.320 -0.003 0.000 0.202 392 K C -0.066 176.565 176.600 0.051 0.000 1.051 392 K CA 0.988 57.312 56.287 0.061 0.000 0.960 392 K CB 0.078 32.572 32.500 -0.010 0.000 0.743 392 K HN 0.539 nan 8.250 nan 0.000 0.458 393 D N 1.017 121.382 120.400 -0.058 0.000 2.249 393 D HA 0.068 4.706 4.640 -0.003 0.000 0.246 393 D C 0.302 176.388 176.300 -0.357 0.000 1.114 393 D CA -0.341 53.563 54.000 -0.161 0.000 0.854 393 D CB 1.014 41.740 40.800 -0.123 0.000 1.132 393 D HN 0.167 nan 8.370 nan 0.000 0.461 394 c N 0.803 119.019 118.600 -0.641 0.000 2.328 394 c HA 0.829 5.397 4.570 -0.003 0.000 0.378 394 c C 0.281 173.967 174.090 -0.674 0.000 1.249 394 c CA -0.550 55.163 56.329 -1.027 0.000 2.204 394 c CB 1.011 42.210 42.510 -2.185 0.000 2.218 394 c HN 0.473 nan 8.230 nan 0.000 0.564 395 T N 1.587 115.778 114.554 -0.605 0.000 2.809 395 T HA 0.473 4.821 4.350 -0.003 0.000 0.284 395 T C -0.771 173.704 174.700 -0.375 0.000 0.992 395 T CA 0.145 62.047 62.100 -0.331 0.000 0.957 395 T CB 0.397 69.207 68.868 -0.095 0.000 0.942 395 T HN 0.481 nan 8.240 nan 0.000 0.439 396 F N 3.342 123.179 119.950 -0.188 0.000 2.495 396 F HA 0.263 4.788 4.527 -0.003 0.000 0.365 396 F C 1.646 177.293 175.800 -0.255 0.000 1.090 396 F CA -0.780 57.099 58.000 -0.201 0.000 1.235 396 F CB 0.483 39.367 39.000 -0.195 0.000 1.119 396 F HN 0.581 nan 8.300 nan 0.000 0.562 397 I N -0.619 119.851 120.570 -0.166 0.000 4.057 397 I HA 0.241 4.409 4.170 -0.003 0.000 0.334 397 I C 0.153 176.111 176.117 -0.264 0.000 1.308 397 I CA 0.091 61.111 61.300 -0.467 0.000 1.125 397 I CB 0.042 37.483 38.000 -0.931 0.000 1.034 397 I HN 0.493 nan 8.210 nan 0.000 0.401 398 T N 0.119 114.574 114.554 -0.164 0.000 2.906 398 T HA 0.712 5.060 4.350 -0.003 0.000 0.295 398 T C -0.717 173.623 174.700 -0.599 0.000 1.075 398 T CA -0.680 61.298 62.100 -0.204 0.000 1.005 398 T CB 2.726 71.544 68.868 -0.084 0.000 1.136 398 T HN 0.492 nan 8.240 nan 0.000 0.498 399 K N -0.274 119.573 120.400 -0.921 0.000 2.607 399 K HA 0.768 5.086 4.320 -0.003 0.000 0.287 399 K C -0.547 175.348 176.600 -1.175 0.000 0.996 399 K CA -0.904 54.516 56.287 -1.445 0.000 0.876 399 K CB 1.308 33.381 32.500 -0.710 0.000 1.496 399 K HN 1.618 nan 8.250 nan 0.000 0.415 400 G N -0.047 108.111 108.800 -1.070 0.000 2.339 400 G HA2 0.116 4.074 3.960 -0.003 0.000 0.381 400 G HA3 0.116 4.074 3.960 -0.003 0.000 0.381 400 G C -0.875 173.473 174.900 -0.920 0.000 1.400 400 G CA -0.371 44.279 45.100 -0.749 0.000 1.002 400 G HN 0.999 nan 8.290 nan 0.000 0.633 401 T N -0.313 113.857 114.554 -0.641 0.000 3.855 401 T HA 0.580 4.928 4.350 -0.003 0.000 0.306 401 T C 0.183 174.672 174.700 -0.351 0.000 1.575 401 T CA 0.477 61.990 62.100 -0.979 0.000 1.214 401 T CB -0.927 67.639 68.868 -0.504 0.000 1.262 401 T HN 1.564 nan 8.240 nan 0.000 0.883 402 W N -0.221 120.903 121.300 -0.293 0.000 2.881 402 W HA 0.595 5.253 4.660 -0.003 0.000 0.380 402 W C -1.639 174.902 176.519 0.037 0.000 1.170 402 W CA -0.953 56.393 57.345 0.002 0.000 1.171 402 W CB 0.557 29.999 29.460 -0.031 0.000 1.464 402 W HN 0.228 nan 8.180 nan 0.000 0.574 403 E N 0.713 121.144 120.200 0.385 0.000 2.343 403 E HA 0.460 4.808 4.350 -0.003 0.000 0.270 403 E C -1.222 175.520 176.600 0.236 0.000 0.895 403 E CA -1.184 55.239 56.400 0.038 0.000 0.767 403 E CB 3.376 33.107 29.700 0.051 0.000 1.248 403 E HN 0.165 nan 8.360 nan 0.000 0.440 404 V N 3.578 123.493 119.914 0.002 0.000 2.488 404 V HA 0.010 4.128 4.120 -0.003 0.000 0.277 404 V C 1.183 177.363 176.094 0.142 0.000 1.046 404 V CA -0.000 62.380 62.300 0.134 0.000 0.986 404 V CB 0.597 32.393 31.823 -0.044 0.000 0.989 404 V HN 0.687 nan 8.190 nan 0.000 0.475 405 I N 3.274 123.953 120.570 0.182 0.000 2.339 405 I HA 0.234 4.402 4.170 -0.003 0.000 0.245 405 I C 1.123 177.346 176.117 0.177 0.000 1.096 405 I CA 1.258 62.653 61.300 0.158 0.000 1.408 405 I CB -0.734 37.298 38.000 0.053 0.000 1.092 405 I HN 0.749 nan 8.210 nan 0.000 0.423 406 G N 0.525 109.432 108.800 0.179 0.000 2.632 406 G HA2 0.532 4.490 3.960 -0.003 0.000 0.292 406 G HA3 0.532 4.490 3.960 -0.003 0.000 0.292 406 G C -1.308 173.686 174.900 0.157 0.000 1.465 406 G CA -0.563 44.641 45.100 0.173 0.000 0.824 406 G HN -0.041 nan 8.290 nan 0.000 0.509 407 I N 1.521 122.125 120.570 0.058 0.000 2.325 407 I HA 0.257 4.425 4.170 -0.003 0.000 0.291 407 I C 0.656 176.736 176.117 -0.061 0.000 1.019 407 I CA -0.613 60.626 61.300 -0.103 0.000 1.302 407 I CB 1.812 39.470 38.000 -0.570 0.000 1.401 407 I HN 0.499 nan 8.210 nan 0.000 0.485 408 E N 4.977 125.194 120.200 0.028 0.000 2.307 408 E HA 0.329 4.677 4.350 -0.003 0.000 0.195 408 E C 0.165 176.699 176.600 -0.109 0.000 0.975 408 E CA 0.179 56.623 56.400 0.075 0.000 0.878 408 E CB 0.814 30.651 29.700 0.228 0.000 0.845 408 E HN 0.681 nan 8.360 nan 0.000 0.488 409 A N 0.503 123.177 122.820 -0.244 0.000 2.590 409 A HA 0.568 4.886 4.320 -0.003 0.000 0.294 409 A C -2.074 175.427 177.584 -0.137 0.000 1.046 409 A CA -0.694 51.126 52.037 -0.361 0.000 0.684 409 A CB 1.041 19.346 19.000 -1.159 0.000 1.279 409 A HN 0.038 nan 8.150 nan 0.000 0.415 410 L N 1.408 122.598 121.223 -0.055 0.000 2.439 410 L HA 0.820 5.158 4.340 -0.003 0.000 0.270 410 L C 0.114 177.016 176.870 0.052 0.000 0.972 410 L CA 0.541 55.387 54.840 0.010 0.000 0.836 410 L CB 2.097 44.192 42.059 0.060 0.000 1.255 410 L HN 1.270 nan 8.230 nan 0.000 0.404 411 T N -0.282 114.322 114.554 0.082 0.000 2.927 411 T HA 0.412 4.760 4.350 -0.003 0.000 0.286 411 T C 1.087 175.834 174.700 0.078 0.000 1.040 411 T CA 0.036 62.195 62.100 0.098 0.000 1.010 411 T CB 1.261 70.224 68.868 0.158 0.000 1.177 411 T HN 0.668 nan 8.240 nan 0.000 0.546 412 S N -0.231 115.514 115.700 0.075 0.000 2.419 412 S HA -0.118 4.350 4.470 -0.003 0.000 0.233 412 S C 0.885 175.479 174.600 -0.009 0.000 1.016 412 S CA 1.242 59.474 58.200 0.053 0.000 0.974 412 S CB -0.533 62.699 63.200 0.054 0.000 0.786 412 S HN 0.745 nan 8.310 nan 0.000 0.492 413 D N -0.995 119.383 120.400 -0.036 0.000 2.454 413 D HA 0.261 4.899 4.640 -0.003 0.000 0.219 413 D C -0.558 175.427 176.300 -0.524 0.000 1.081 413 D CA 0.412 54.266 54.000 -0.243 0.000 0.867 413 D CB 0.377 41.044 40.800 -0.221 0.000 1.054 413 D HN 0.435 nan 8.370 nan 0.000 0.500 414 Y N 0.061 120.306 120.300 -0.092 0.000 2.524 414 Y HA 0.461 5.009 4.550 -0.003 0.000 0.347 414 Y C -0.649 175.081 175.900 -0.284 0.000 1.005 414 Y CA -0.994 56.964 58.100 -0.236 0.000 1.025 414 Y CB 2.598 40.815 38.460 -0.405 0.000 1.275 414 Y HN -0.274 nan 8.280 nan 0.000 0.460 415 L N 3.083 124.188 121.223 -0.197 0.000 2.333 415 L HA 0.621 4.959 4.340 -0.003 0.000 0.280 415 L C -1.860 174.895 176.870 -0.192 0.000 1.004 415 L CA -0.625 54.090 54.840 -0.208 0.000 0.820 415 L CB 0.887 42.721 42.059 -0.374 0.000 1.247 415 L HN 0.605 nan 8.230 nan 0.000 0.416 416 Y N 4.753 124.984 120.300 -0.115 0.000 2.360 416 Y HA 0.564 5.112 4.550 -0.003 0.000 0.337 416 Y C -0.428 175.478 175.900 0.010 0.000 1.039 416 Y CA -0.458 57.579 58.100 -0.104 0.000 1.109 416 Y CB 1.352 39.679 38.460 -0.220 0.000 1.201 416 Y HN 0.534 nan 8.280 nan 0.000 0.458 417 Y N 0.596 120.968 120.300 0.119 0.000 2.625 417 Y HA 0.796 5.344 4.550 -0.003 0.000 0.338 417 Y C -1.866 174.122 175.900 0.147 0.000 1.123 417 Y CA -1.815 56.341 58.100 0.093 0.000 1.046 417 Y CB 1.129 39.616 38.460 0.045 0.000 1.299 417 Y HN 0.297 nan 8.280 nan 0.000 0.464 418 I N 3.035 123.775 120.570 0.282 0.000 2.412 418 I HA 0.625 4.793 4.170 -0.003 0.000 0.296 418 I C -0.145 176.150 176.117 0.298 0.000 0.987 418 I CA -0.301 61.110 61.300 0.185 0.000 1.180 418 I CB 1.518 39.578 38.000 0.100 0.000 1.340 418 I HN 0.899 nan 8.210 nan 0.000 0.455 419 S N 3.828 119.664 115.700 0.227 0.000 2.638 419 S HA 0.466 4.934 4.470 -0.003 0.000 0.274 419 S C -0.431 174.202 174.600 0.054 0.000 1.157 419 S CA -0.798 57.514 58.200 0.186 0.000 0.826 419 S CB 1.919 65.227 63.200 0.180 0.000 1.139 419 S HN 0.579 nan 8.310 nan 0.000 0.474 420 N N -0.305 118.423 118.700 0.046 0.000 2.380 420 N HA 0.158 4.896 4.740 -0.003 0.000 0.255 420 N C 0.520 175.984 175.510 -0.078 0.000 1.158 420 N CA -0.318 52.720 53.050 -0.020 0.000 0.878 420 N CB 0.314 38.782 38.487 -0.032 0.000 1.138 420 N HN 0.815 nan 8.380 nan 0.000 0.509 421 E N -0.069 119.920 120.200 -0.351 0.000 2.072 421 E HA -0.195 4.153 4.350 -0.003 0.000 0.191 421 E C -0.360 176.060 176.600 -0.300 0.000 0.985 421 E CA 0.236 56.173 56.400 -0.772 0.000 0.801 421 E CB -0.083 28.520 29.700 -1.827 0.000 0.750 421 E HN 0.413 nan 8.360 nan 0.000 0.452 422 Y N 2.213 122.399 120.300 -0.191 0.000 2.865 422 Y HA -0.172 4.376 4.550 -0.003 0.000 0.338 422 Y C 0.371 176.227 175.900 -0.074 0.000 1.269 422 Y CA 1.040 59.090 58.100 -0.083 0.000 1.585 422 Y CB 0.003 38.449 38.460 -0.023 0.000 1.224 422 Y HN 0.089 nan 8.280 nan 0.000 0.554 423 K N 3.512 123.586 120.400 -0.544 0.000 3.130 423 K HA -0.255 4.063 4.320 -0.003 0.000 0.282 423 K C 0.868 177.378 176.600 -0.150 0.000 1.145 423 K CA 0.784 56.827 56.287 -0.408 0.000 0.831 423 K CB -1.824 30.381 32.500 -0.491 0.000 1.226 423 K HN 1.282 nan 8.250 nan 0.000 0.478 424 G N 0.704 109.435 108.800 -0.115 0.000 2.258 424 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.274 424 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.274 424 G C 0.029 174.894 174.900 -0.058 0.000 1.021 424 G CA 0.866 45.947 45.100 -0.033 0.000 0.798 424 G HN 0.351 nan 8.290 nan 0.000 0.507 425 M N 0.906 120.405 119.600 -0.167 0.000 2.080 425 M HA 0.228 4.706 4.480 -0.003 0.000 0.350 425 M C -0.901 175.144 176.300 -0.425 0.000 1.143 425 M CA -2.017 53.022 55.300 -0.435 0.000 1.064 425 M CB 1.567 34.007 32.600 -0.268 0.000 1.429 425 M HN -0.062 nan 8.290 nan 0.000 0.418 426 P HA -0.089 nan 4.420 nan 0.000 0.225 426 P C 0.985 178.133 177.300 -0.253 0.000 1.148 426 P CA 1.151 64.062 63.100 -0.315 0.000 0.779 426 P CB 0.135 31.658 31.700 -0.294 0.000 0.780 427 G N -0.671 107.920 108.800 -0.349 0.000 3.189 427 G HA2 0.304 4.262 3.960 -0.003 0.000 0.225 427 G HA3 0.304 4.262 3.960 -0.003 0.000 0.225 427 G C 0.671 175.566 174.900 -0.008 0.000 1.159 427 G CA 0.086 45.114 45.100 -0.121 0.000 0.763 427 G HN 0.423 nan 8.290 nan 0.000 0.549 428 G N -0.238 108.497 108.800 -0.108 0.000 2.471 428 G HA2 0.659 4.617 3.960 -0.003 0.000 0.332 428 G HA3 0.659 4.617 3.960 -0.003 0.000 0.332 428 G C -0.865 173.885 174.900 -0.249 0.000 1.176 428 G CA -0.779 44.280 45.100 -0.068 0.000 0.949 428 G HN 0.082 nan 8.290 nan 0.000 0.488 429 R N 0.900 121.218 120.500 -0.302 0.000 2.533 429 R HA 0.407 4.745 4.340 -0.003 0.000 0.288 429 R C -1.308 174.947 176.300 -0.075 0.000 1.039 429 R CA -0.770 55.135 56.100 -0.324 0.000 0.909 429 R CB 2.077 31.936 30.300 -0.734 0.000 1.195 429 R HN 0.603 nan 8.270 nan 0.000 0.438 430 N N 1.526 120.215 118.700 -0.018 0.000 2.357 430 N HA 0.371 5.109 4.740 -0.003 0.000 0.284 430 N C -1.271 174.123 175.510 -0.193 0.000 1.236 430 N CA -0.830 52.137 53.050 -0.138 0.000 0.774 430 N CB 2.694 40.995 38.487 -0.311 0.000 1.534 430 N HN 0.240 nan 8.380 nan 0.000 0.478 431 L N 1.944 122.890 121.223 -0.461 0.000 2.292 431 L HA 0.481 4.819 4.340 -0.003 0.000 0.284 431 L C -1.414 175.067 176.870 -0.648 0.000 1.065 431 L CA -0.010 54.591 54.840 -0.400 0.000 0.806 431 L CB 0.017 41.836 42.059 -0.400 0.000 1.175 431 L HN 0.411 nan 8.230 nan 0.000 0.431 432 Y N 3.371 123.323 120.300 -0.580 0.000 2.570 432 Y HA 0.593 5.141 4.550 -0.003 0.000 0.345 432 Y C -0.441 175.115 175.900 -0.572 0.000 1.014 432 Y CA -0.895 56.810 58.100 -0.660 0.000 1.063 432 Y CB 1.732 39.585 38.460 -1.011 0.000 1.272 432 Y HN 0.507 nan 8.280 nan 0.000 0.477 433 K N 2.745 122.990 120.400 -0.258 0.000 2.426 433 K HA 0.671 4.989 4.320 -0.003 0.000 0.254 433 K C -1.972 174.576 176.600 -0.087 0.000 0.936 433 K CA -0.541 55.530 56.287 -0.361 0.000 0.801 433 K CB 1.593 33.773 32.500 -0.533 0.000 1.139 433 K HN 0.795 nan 8.250 nan 0.000 0.424 434 I N 3.272 123.851 120.570 0.014 0.000 2.465 434 I HA 0.235 4.403 4.170 -0.003 0.000 0.291 434 I C -0.796 175.404 176.117 0.137 0.000 1.014 434 I CA -0.746 60.638 61.300 0.141 0.000 1.093 434 I CB 1.842 39.956 38.000 0.190 0.000 1.267 434 I HN 0.774 nan 8.210 nan 0.000 0.431 435 Q N 6.061 125.933 119.800 0.119 0.000 2.286 435 Q HA 0.203 4.541 4.340 -0.003 0.000 0.267 435 Q C 0.263 176.186 176.000 -0.129 0.000 1.028 435 Q CA -0.180 55.519 55.803 -0.173 0.000 0.901 435 Q CB 1.187 29.860 28.738 -0.108 0.000 1.183 435 Q HN 0.826 nan 8.270 nan 0.000 0.392 436 L N 2.426 123.500 121.223 -0.247 0.000 2.201 436 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 436 L C 2.019 178.765 176.870 -0.207 0.000 1.105 436 L CA 1.256 56.032 54.840 -0.106 0.000 0.775 436 L CB -0.340 41.640 42.059 -0.132 0.000 0.913 436 L HN 0.687 nan 8.230 nan 0.000 0.440 437 S N -2.569 112.980 115.700 -0.252 0.000 2.593 437 S HA 0.000 4.468 4.470 -0.003 0.000 0.217 437 S C 0.357 174.790 174.600 -0.280 0.000 0.966 437 S CA -0.121 57.929 58.200 -0.250 0.000 0.914 437 S CB 0.057 63.145 63.200 -0.186 0.000 0.776 437 S HN 0.360 nan 8.310 nan 0.000 0.523 438 D N -0.183 120.051 120.400 -0.277 0.000 2.362 438 D HA 0.171 4.809 4.640 -0.003 0.000 0.232 438 D C -0.354 175.901 176.300 -0.074 0.000 1.329 438 D CA -0.499 53.373 54.000 -0.214 0.000 0.944 438 D CB -0.130 40.603 40.800 -0.110 0.000 1.471 438 D HN -0.055 nan 8.370 nan 0.000 0.533 439 Y N 0.783 121.060 120.300 -0.037 0.000 2.384 439 Y HA -0.141 4.407 4.550 -0.003 0.000 0.289 439 Y C 2.631 178.537 175.900 0.010 0.000 1.152 439 Y CA 1.649 59.740 58.100 -0.016 0.000 1.258 439 Y CB -1.040 37.411 38.460 -0.015 0.000 0.979 439 Y HN 0.453 nan 8.280 nan 0.000 0.549 440 T N -2.543 112.091 114.554 0.134 0.000 3.113 440 T HA -0.043 4.305 4.350 -0.003 0.000 0.263 440 T C 0.642 175.393 174.700 0.086 0.000 1.143 440 T CA 0.327 62.483 62.100 0.094 0.000 1.090 440 T CB -0.138 68.759 68.868 0.050 0.000 0.922 440 T HN -0.125 nan 8.240 nan 0.000 0.521 441 K N 2.360 122.814 120.400 0.090 0.000 2.257 441 K HA 0.522 4.840 4.320 -0.003 0.000 0.270 441 K C -1.172 175.500 176.600 0.119 0.000 1.098 441 K CA -0.370 55.970 56.287 0.088 0.000 0.943 441 K CB 1.330 33.874 32.500 0.072 0.000 1.316 441 K HN 0.165 nan 8.250 nan 0.000 0.447 442 V N 2.456 122.439 119.914 0.114 0.000 2.444 442 V HA 0.346 4.464 4.120 -0.003 0.000 0.294 442 V C -0.106 176.046 176.094 0.096 0.000 1.022 442 V CA -0.720 61.660 62.300 0.133 0.000 0.850 442 V CB 2.035 33.965 31.823 0.179 0.000 0.992 442 V HN 0.562 nan 8.190 nan 0.000 0.426 443 T N 3.292 117.870 114.554 0.040 0.000 2.829 443 T HA 0.279 4.627 4.350 -0.003 0.000 0.280 443 T C -0.424 174.194 174.700 -0.135 0.000 0.999 443 T CA -0.284 61.792 62.100 -0.039 0.000 0.983 443 T CB 1.407 70.219 68.868 -0.092 0.000 0.968 443 T HN 0.776 nan 8.240 nan 0.000 0.446 444 C N 5.380 124.534 119.300 -0.243 0.000 2.303 444 C HA 0.434 4.892 4.460 -0.003 0.000 0.341 444 C C 1.683 176.353 174.990 -0.534 0.000 1.244 444 C CA -0.637 57.977 59.018 -0.674 0.000 1.765 444 C CB -1.924 25.348 27.740 -0.779 0.000 2.379 444 C HN 0.987 nan 8.230 nan 0.000 0.530 445 L N 4.641 125.523 121.223 -0.568 0.000 2.418 445 L HA 0.056 4.394 4.340 -0.003 0.000 0.218 445 L C 2.195 178.755 176.870 -0.516 0.000 1.125 445 L CA 1.101 55.685 54.840 -0.428 0.000 0.835 445 L CB -0.293 41.553 42.059 -0.356 0.000 0.953 445 L HN 0.894 nan 8.230 nan 0.000 0.454 446 S N -3.096 112.179 115.700 -0.708 0.000 2.554 446 S HA -0.017 4.451 4.470 -0.003 0.000 0.227 446 S C 1.914 176.118 174.600 -0.660 0.000 1.050 446 S CA -0.038 57.642 58.200 -0.867 0.000 0.927 446 S CB -0.336 61.933 63.200 -1.552 0.000 0.859 446 S HN 0.300 nan 8.310 nan 0.000 0.494 447 C N 2.305 121.191 119.300 -0.690 0.000 2.363 447 C HA -0.093 4.365 4.460 -0.003 0.000 0.274 447 C C 2.436 177.125 174.990 -0.502 0.000 1.183 447 C CA 1.668 60.206 59.018 -0.801 0.000 1.771 447 C CB -1.168 25.952 27.740 -1.033 0.000 2.059 447 C HN 0.609 nan 8.230 nan 0.000 0.455 448 E N -0.000 120.007 120.200 -0.321 0.000 2.474 448 E HA 0.181 4.529 4.350 -0.003 0.000 0.195 448 E C 1.870 178.416 176.600 -0.090 0.000 1.039 448 E CA -0.100 56.211 56.400 -0.149 0.000 0.881 448 E CB -0.247 29.394 29.700 -0.099 0.000 0.970 448 E HN 0.565 nan 8.360 nan 0.000 0.486 449 L N 0.310 121.472 121.223 -0.102 0.000 2.013 449 L HA -0.142 4.196 4.340 -0.003 0.000 0.212 449 L C 0.954 177.829 176.870 0.009 0.000 1.073 449 L CA 1.042 55.863 54.840 -0.031 0.000 0.753 449 L CB -0.097 41.960 42.059 -0.004 0.000 0.890 449 L HN 0.159 nan 8.230 nan 0.000 0.432 450 N N -1.456 117.262 118.700 0.030 0.000 2.946 450 N HA 0.086 4.824 4.740 -0.003 0.000 0.213 450 N C -2.056 173.469 175.510 0.025 0.000 1.440 450 N CA -1.026 52.036 53.050 0.021 0.000 0.745 450 N CB 0.767 39.262 38.487 0.013 0.000 1.471 450 N HN -0.174 nan 8.380 nan 0.000 0.569 451 P HA -0.161 nan 4.420 nan 0.000 0.217 451 P C 0.567 177.904 177.300 0.062 0.000 1.148 451 P CA 1.364 64.501 63.100 0.061 0.000 0.828 451 P CB 0.648 32.406 31.700 0.095 0.000 0.783 452 E N -0.396 119.824 120.200 0.033 0.000 2.122 452 E HA -0.080 4.268 4.350 -0.003 0.000 0.190 452 E C 2.396 178.992 176.600 -0.006 0.000 0.977 452 E CA 0.449 56.862 56.400 0.020 0.000 0.820 452 E CB -0.181 29.525 29.700 0.010 0.000 0.770 452 E HN 0.236 nan 8.360 nan 0.000 0.462 453 R N 0.147 120.630 120.500 -0.028 0.000 2.189 453 R HA 0.091 4.429 4.340 -0.003 0.000 0.203 453 R C -0.122 176.117 176.300 -0.100 0.000 1.012 453 R CA 0.428 56.487 56.100 -0.069 0.000 1.015 453 R CB 0.475 30.727 30.300 -0.080 0.000 0.938 453 R HN 0.050 nan 8.270 nan 0.000 0.472 454 c N 1.042 119.587 118.600 -0.091 0.000 2.316 454 c HA 0.422 4.990 4.570 -0.003 0.000 0.324 454 c C 0.086 174.106 174.090 -0.117 0.000 1.226 454 c CA -0.648 55.558 56.329 -0.205 0.000 1.450 454 c CB 1.346 43.687 42.510 -0.282 0.000 2.123 454 c HN 0.533 nan 8.230 nan 0.000 0.454 455 Q N 0.419 120.149 119.800 -0.117 0.000 2.113 455 Q HA 0.195 4.533 4.340 -0.003 0.000 0.225 455 Q C -0.919 175.111 176.000 0.049 0.000 0.786 455 Q CA 0.131 55.950 55.803 0.027 0.000 0.989 455 Q CB 1.289 30.081 28.738 0.089 0.000 1.174 455 Q HN 0.788 nan 8.270 nan 0.000 0.470 456 Y N 0.474 120.635 120.300 -0.231 0.000 2.402 456 Y HA 0.381 4.929 4.550 -0.003 0.000 0.325 456 Y C -1.579 174.164 175.900 -0.262 0.000 1.009 456 Y CA -1.067 56.941 58.100 -0.154 0.000 1.278 456 Y CB 0.709 39.099 38.460 -0.117 0.000 1.105 456 Y HN -0.089 nan 8.280 nan 0.000 0.476 457 Y N 2.241 122.509 120.300 -0.053 0.000 2.487 457 Y HA 0.678 5.226 4.550 -0.003 0.000 0.337 457 Y C 0.187 176.060 175.900 -0.046 0.000 1.076 457 Y CA -0.559 57.508 58.100 -0.055 0.000 1.115 457 Y CB 2.247 40.630 38.460 -0.130 0.000 1.235 457 Y HN 0.516 nan 8.280 nan 0.000 0.468 458 S N 0.703 116.511 115.700 0.181 0.000 2.627 458 S HA 0.863 5.331 4.470 -0.003 0.000 0.283 458 S C -1.634 173.037 174.600 0.119 0.000 1.127 458 S CA -0.790 57.490 58.200 0.133 0.000 0.863 458 S CB 1.817 65.106 63.200 0.148 0.000 1.121 458 S HN 0.633 nan 8.310 nan 0.000 0.479 459 V N 0.256 120.233 119.914 0.105 0.000 3.078 459 V HA 0.882 5.000 4.120 -0.003 0.000 0.311 459 V C -1.242 174.923 176.094 0.117 0.000 1.138 459 V CA -0.295 62.035 62.300 0.050 0.000 1.007 459 V CB 2.321 34.088 31.823 -0.093 0.000 1.045 459 V HN 1.202 nan 8.190 nan 0.000 0.432 460 S N 4.337 120.096 115.700 0.098 0.000 2.789 460 S HA 0.661 5.129 4.470 -0.003 0.000 0.286 460 S C -1.164 173.573 174.600 0.228 0.000 1.153 460 S CA -0.396 57.964 58.200 0.266 0.000 1.084 460 S CB 0.339 63.756 63.200 0.363 0.000 1.036 460 S HN 0.500 nan 8.310 nan 0.000 0.484 461 F N 2.927 122.928 119.950 0.085 0.000 2.370 461 F HA 0.457 4.982 4.527 -0.003 0.000 0.324 461 F C 1.484 176.861 175.800 -0.705 0.000 1.116 461 F CA -0.222 57.663 58.000 -0.191 0.000 1.123 461 F CB 1.238 40.102 39.000 -0.226 0.000 1.238 461 F HN 0.627 nan 8.300 nan 0.000 0.536 462 S N 1.467 116.583 115.700 -0.973 0.000 2.641 462 S HA 0.193 4.661 4.470 -0.003 0.000 0.261 462 S C 1.195 175.530 174.600 -0.440 0.000 1.257 462 S CA -0.791 56.549 58.200 -1.433 0.000 0.983 462 S CB 0.692 63.153 63.200 -1.231 0.000 0.990 462 S HN 0.500 nan 8.310 nan 0.000 0.572 463 K N 0.820 121.090 120.400 -0.217 0.000 2.089 463 K HA -0.075 4.243 4.320 -0.003 0.000 0.210 463 K C 0.919 177.488 176.600 -0.051 0.000 1.048 463 K CA 1.534 57.787 56.287 -0.056 0.000 0.926 463 K CB -0.459 32.038 32.500 -0.005 0.000 0.714 463 K HN 0.653 nan 8.250 nan 0.000 0.448 464 E N -0.859 119.294 120.200 -0.078 0.000 2.585 464 E HA 0.256 4.604 4.350 -0.003 0.000 0.206 464 E C -0.033 176.526 176.600 -0.069 0.000 1.007 464 E CA 0.049 56.421 56.400 -0.046 0.000 1.028 464 E CB 0.551 30.238 29.700 -0.022 0.000 1.087 464 E HN 0.218 nan 8.360 nan 0.000 0.455 465 A N 1.242 124.004 122.820 -0.098 0.000 2.847 465 A HA -0.322 3.996 4.320 -0.003 0.000 0.263 465 A C 1.555 179.114 177.584 -0.042 0.000 1.391 465 A CA 1.687 53.693 52.037 -0.052 0.000 0.866 465 A CB -2.014 16.849 19.000 -0.228 0.000 1.057 465 A HN 0.284 nan 8.150 nan 0.000 0.673 466 K N -1.880 118.427 120.400 -0.155 0.000 2.211 466 K HA 0.056 4.374 4.320 -0.003 0.000 0.203 466 K C -0.005 176.218 176.600 -0.629 0.000 1.050 466 K CA 1.468 57.550 56.287 -0.343 0.000 0.945 466 K CB -0.040 32.244 32.500 -0.360 0.000 0.732 466 K HN 0.689 nan 8.250 nan 0.000 0.451 467 Y N -1.137 119.102 120.300 -0.102 0.000 2.615 467 Y HA 0.309 4.857 4.550 -0.003 0.000 0.341 467 Y C -1.043 174.777 175.900 -0.134 0.000 1.089 467 Y CA -1.396 56.638 58.100 -0.110 0.000 1.049 467 Y CB 1.633 40.050 38.460 -0.071 0.000 1.296 467 Y HN -0.040 nan 8.280 nan 0.000 0.470 468 Y N -0.976 119.300 120.300 -0.039 0.000 2.513 468 Y HA 0.547 5.095 4.550 -0.003 0.000 0.340 468 Y C -1.191 174.718 175.900 0.016 0.000 1.055 468 Y CA -1.442 56.482 58.100 -0.292 0.000 1.020 468 Y CB 1.523 39.319 38.460 -1.106 0.000 1.301 468 Y HN 0.601 nan 8.280 nan 0.000 0.453 469 Q N 3.991 123.924 119.800 0.222 0.000 2.290 469 Q HA 0.560 4.898 4.340 -0.003 0.000 0.259 469 Q C -1.749 174.344 176.000 0.155 0.000 0.941 469 Q CA -0.669 55.231 55.803 0.162 0.000 0.912 469 Q CB 1.281 30.088 28.738 0.116 0.000 1.244 469 Q HN 0.968 nan 8.270 nan 0.000 0.441 470 L N 4.345 125.676 121.223 0.180 0.000 2.309 470 L HA 0.545 4.883 4.340 -0.003 0.000 0.282 470 L C -0.247 176.689 176.870 0.110 0.000 1.036 470 L CA -0.623 54.309 54.840 0.153 0.000 0.806 470 L CB 1.423 43.559 42.059 0.130 0.000 1.220 470 L HN 0.620 nan 8.230 nan 0.000 0.429 471 R N 2.408 122.954 120.500 0.076 0.000 2.371 471 R HA 0.313 4.651 4.340 -0.003 0.000 0.312 471 R C -1.026 175.148 176.300 -0.210 0.000 0.980 471 R CA -0.505 55.479 56.100 -0.192 0.000 0.867 471 R CB 1.614 31.858 30.300 -0.092 0.000 1.163 471 R HN 0.577 nan 8.270 nan 0.000 0.492 472 c N 2.793 121.144 118.600 -0.414 0.000 2.347 472 c HA 0.362 4.930 4.570 -0.003 0.000 0.353 472 c C 1.533 175.391 174.090 -0.386 0.000 1.273 472 c CA -0.261 55.725 56.329 -0.572 0.000 1.861 472 c CB 0.238 42.369 42.510 -0.631 0.000 2.420 472 c HN 0.979 nan 8.230 nan 0.000 0.542 473 S N 3.729 119.282 115.700 -0.245 0.000 2.603 473 S HA 0.598 5.066 4.470 -0.003 0.000 0.232 473 S C 0.452 175.000 174.600 -0.087 0.000 1.016 473 S CA 0.260 58.377 58.200 -0.139 0.000 0.976 473 S CB 0.123 63.261 63.200 -0.102 0.000 0.921 473 S HN 1.847 nan 8.310 nan 0.000 0.516 474 G N 1.704 110.437 108.800 -0.112 0.000 2.316 474 G HA2 0.399 4.357 3.960 -0.003 0.000 0.296 474 G HA3 0.399 4.357 3.960 -0.003 0.000 0.296 474 G C -3.007 171.858 174.900 -0.058 0.000 1.399 474 G CA -0.496 44.580 45.100 -0.041 0.000 0.833 474 G HN -0.136 nan 8.290 nan 0.000 0.565 475 P HA 0.128 nan 4.420 nan 0.000 0.233 475 P C 1.199 178.496 177.300 -0.005 0.000 1.167 475 P CA 1.274 64.392 63.100 0.030 0.000 0.770 475 P CB 0.425 32.146 31.700 0.034 0.000 0.837 476 G N 0.281 109.012 108.800 -0.115 0.000 2.532 476 G HA2 0.443 4.401 3.960 -0.003 0.000 0.291 476 G HA3 0.443 4.401 3.960 -0.003 0.000 0.291 476 G C -0.401 174.240 174.900 -0.432 0.000 1.349 476 G CA -0.799 44.145 45.100 -0.260 0.000 1.038 476 G HN 0.035 nan 8.290 nan 0.000 0.518 477 L N 1.302 122.208 121.223 -0.528 0.000 2.453 477 L HA 0.162 4.500 4.340 -0.003 0.000 0.272 477 L C -1.849 174.891 176.870 -0.217 0.000 1.182 477 L CA -1.242 53.303 54.840 -0.492 0.000 0.858 477 L CB 0.690 42.531 42.059 -0.365 0.000 1.120 477 L HN 0.240 nan 8.230 nan 0.000 0.474 478 P HA -0.015 nan 4.420 nan 0.000 0.264 478 P C -0.944 176.305 177.300 -0.085 0.000 1.179 478 P CA 0.065 63.106 63.100 -0.097 0.000 0.763 478 P CB 0.499 32.231 31.700 0.054 0.000 0.806 479 L N 5.088 126.171 121.223 -0.233 0.000 2.409 479 L HA 0.492 4.830 4.340 -0.003 0.000 0.272 479 L C -1.756 174.965 176.870 -0.248 0.000 0.980 479 L CA -0.704 54.065 54.840 -0.119 0.000 0.826 479 L CB 1.012 43.010 42.059 -0.102 0.000 1.268 479 L HN 0.214 nan 8.230 nan 0.000 0.407 480 Y N 2.760 123.030 120.300 -0.050 0.000 2.335 480 Y HA 0.737 5.285 4.550 -0.003 0.000 0.338 480 Y C 0.473 176.282 175.900 -0.151 0.000 0.977 480 Y CA -0.513 57.541 58.100 -0.077 0.000 1.114 480 Y CB 2.053 40.451 38.460 -0.104 0.000 1.182 480 Y HN 0.682 nan 8.280 nan 0.000 0.463 481 T N 0.813 115.372 114.554 0.009 0.000 2.906 481 T HA 0.716 5.064 4.350 -0.003 0.000 0.295 481 T C -1.514 173.082 174.700 -0.174 0.000 1.075 481 T CA -0.890 61.145 62.100 -0.109 0.000 1.005 481 T CB 1.944 70.799 68.868 -0.021 0.000 1.136 481 T HN 0.385 nan 8.240 nan 0.000 0.498 482 L N 1.986 122.971 121.223 -0.397 0.000 2.329 482 L HA 0.611 4.949 4.340 -0.003 0.000 0.279 482 L C -0.757 175.725 176.870 -0.647 0.000 1.014 482 L CA -0.322 54.315 54.840 -0.339 0.000 0.814 482 L CB 1.127 43.038 42.059 -0.248 0.000 1.257 482 L HN 0.819 nan 8.230 nan 0.000 0.424 483 H N 1.755 120.595 119.070 -0.383 0.000 2.821 483 H HA 0.349 4.903 4.556 -0.003 0.000 0.373 483 H C -1.087 174.004 175.328 -0.395 0.000 1.165 483 H CA -0.849 54.868 56.048 -0.552 0.000 1.154 483 H CB 2.248 31.323 29.762 -1.146 0.000 1.765 483 H HN 0.495 nan 8.280 nan 0.000 0.549 484 S N 0.621 116.268 115.700 -0.089 0.000 2.438 484 S HA 0.133 4.601 4.470 -0.003 0.000 0.293 484 S C 0.824 175.401 174.600 -0.038 0.000 1.141 484 S CA -0.555 57.650 58.200 0.008 0.000 1.080 484 S CB 0.741 63.980 63.200 0.064 0.000 0.978 484 S HN 0.609 nan 8.310 nan 0.000 0.479 485 S N 3.795 119.476 115.700 -0.031 0.000 2.428 485 S HA -0.088 4.380 4.470 -0.003 0.000 0.230 485 S C 1.895 176.530 174.600 0.058 0.000 1.014 485 S CA 0.845 59.136 58.200 0.151 0.000 0.957 485 S CB -0.227 63.057 63.200 0.141 0.000 0.784 485 S HN 0.681 nan 8.310 nan 0.000 0.499 486 V N 3.719 123.616 119.914 -0.029 0.000 2.490 486 V HA -0.164 3.954 4.120 -0.003 0.000 0.250 486 V C 1.247 177.346 176.094 0.007 0.000 1.061 486 V CA 2.138 64.432 62.300 -0.011 0.000 1.064 486 V CB -0.476 31.328 31.823 -0.032 0.000 0.670 486 V HN 0.823 nan 8.190 nan 0.000 0.461 487 N N -3.234 115.472 118.700 0.011 0.000 2.143 487 N HA 0.058 4.796 4.740 -0.003 0.000 0.229 487 N C -0.250 175.272 175.510 0.020 0.000 1.294 487 N CA 0.301 53.358 53.050 0.012 0.000 0.883 487 N CB 0.621 39.115 38.487 0.012 0.000 1.148 487 N HN 0.263 nan 8.380 nan 0.000 0.511 488 D N 0.865 121.296 120.400 0.052 0.000 2.811 488 D HA -0.120 4.518 4.640 -0.003 0.000 0.231 488 D C -0.565 175.771 176.300 0.061 0.000 1.157 488 D CA 1.159 55.215 54.000 0.092 0.000 0.716 488 D CB -0.429 40.408 40.800 0.061 0.000 1.077 488 D HN 0.397 nan 8.370 nan 0.000 0.428 489 K N 0.222 120.643 120.400 0.036 0.000 2.118 489 K HA 0.511 4.829 4.320 -0.003 0.000 0.267 489 K C 0.893 177.498 176.600 0.009 0.000 0.991 489 K CA -0.438 55.864 56.287 0.025 0.000 0.916 489 K CB 1.271 33.774 32.500 0.006 0.000 1.041 489 K HN 0.099 nan 8.250 nan 0.000 0.455 490 G N 2.149 110.944 108.800 -0.009 0.000 2.378 490 G HA2 0.231 4.189 3.960 -0.003 0.000 0.255 490 G HA3 0.231 4.189 3.960 -0.003 0.000 0.255 490 G C 0.873 175.640 174.900 -0.222 0.000 1.270 490 G CA -0.348 44.621 45.100 -0.217 0.000 0.876 490 G HN 0.517 nan 8.290 nan 0.000 0.521 491 L N 1.603 122.637 121.223 -0.315 0.000 2.253 491 L HA 0.333 4.671 4.340 -0.003 0.000 0.205 491 L C 1.527 178.291 176.870 -0.177 0.000 1.078 491 L CA 0.612 55.340 54.840 -0.186 0.000 0.805 491 L CB -0.165 41.796 42.059 -0.163 0.000 0.963 491 L HN 0.805 nan 8.230 nan 0.000 0.459 492 R N -2.330 118.020 120.500 -0.251 0.000 3.012 492 R HA 0.297 4.635 4.340 -0.003 0.000 0.287 492 R C -1.727 174.433 176.300 -0.234 0.000 0.990 492 R CA -0.934 55.050 56.100 -0.195 0.000 0.839 492 R CB 0.951 31.165 30.300 -0.143 0.000 1.317 492 R HN -0.291 nan 8.270 nan 0.000 0.518 493 V N 2.558 122.367 119.914 -0.175 0.000 2.432 493 V HA 0.219 4.337 4.120 -0.003 0.000 0.275 493 V C 1.241 177.202 176.094 -0.222 0.000 1.043 493 V CA -0.421 61.781 62.300 -0.163 0.000 0.925 493 V CB 1.220 32.985 31.823 -0.096 0.000 0.985 493 V HN 0.626 nan 8.190 nan 0.000 0.466 494 L N 2.572 123.606 121.223 -0.314 0.000 2.253 494 L HA 0.308 4.646 4.340 -0.003 0.000 0.205 494 L C 0.658 177.329 176.870 -0.332 0.000 1.078 494 L CA 0.658 55.143 54.840 -0.592 0.000 0.805 494 L CB 0.260 41.614 42.059 -1.175 0.000 0.963 494 L HN 0.702 nan 8.230 nan 0.000 0.459 495 E N -0.206 119.928 120.200 -0.110 0.000 2.406 495 E HA 0.084 4.432 4.350 -0.003 0.000 0.297 495 E C -1.186 175.483 176.600 0.115 0.000 0.917 495 E CA -0.335 56.086 56.400 0.036 0.000 0.795 495 E CB 1.064 30.793 29.700 0.049 0.000 1.285 495 E HN 0.152 nan 8.360 nan 0.000 0.400 496 D N 2.963 123.402 120.400 0.065 0.000 2.433 496 D HA 0.156 4.794 4.640 -0.003 0.000 0.211 496 D C -0.222 176.102 176.300 0.041 0.000 1.114 496 D CA -0.181 53.846 54.000 0.046 0.000 0.837 496 D CB 0.029 40.832 40.800 0.005 0.000 0.984 496 D HN 0.444 nan 8.370 nan 0.000 0.505 497 N N 0.306 119.044 118.700 0.063 0.000 2.754 497 N HA -0.202 4.536 4.740 -0.003 0.000 0.248 497 N C 0.929 176.454 175.510 0.027 0.000 1.093 497 N CA 0.886 53.969 53.050 0.054 0.000 0.699 497 N CB -1.379 37.140 38.487 0.054 0.000 1.016 497 N HN 0.466 nan 8.380 nan 0.000 0.552 498 S N -0.999 114.715 115.700 0.024 0.000 2.382 498 S HA -0.050 4.418 4.470 -0.003 0.000 0.228 498 S C 2.130 176.747 174.600 0.029 0.000 1.027 498 S CA 1.026 59.235 58.200 0.015 0.000 0.991 498 S CB -0.196 63.013 63.200 0.014 0.000 0.823 498 S HN 0.512 nan 8.310 nan 0.000 0.469 499 A N 2.228 125.074 122.820 0.043 0.000 1.865 499 A HA -0.011 4.307 4.320 -0.003 0.000 0.217 499 A C 2.275 179.904 177.584 0.075 0.000 1.191 499 A CA 1.783 53.854 52.037 0.057 0.000 0.623 499 A CB -1.010 18.026 19.000 0.061 0.000 0.826 499 A HN 0.550 nan 8.150 nan 0.000 0.444 500 L N 0.312 121.585 121.223 0.084 0.000 2.093 500 L HA -0.139 4.199 4.340 -0.003 0.000 0.208 500 L C 1.930 178.841 176.870 0.070 0.000 1.085 500 L CA 2.842 57.751 54.840 0.114 0.000 0.755 500 L CB -0.712 41.421 42.059 0.124 0.000 0.904 500 L HN 0.529 nan 8.230 nan 0.000 0.435 501 D N -0.735 119.677 120.400 0.020 0.000 2.123 501 D HA -0.265 4.373 4.640 -0.003 0.000 0.196 501 D C 2.191 178.496 176.300 0.008 0.000 0.992 501 D CA 1.238 55.228 54.000 -0.016 0.000 0.833 501 D CB -0.128 40.650 40.800 -0.036 0.000 0.954 501 D HN 0.179 nan 8.370 nan 0.000 0.455 502 K N 0.239 120.658 120.400 0.031 0.000 2.026 502 K HA -0.160 4.158 4.320 -0.003 0.000 0.208 502 K C 2.140 178.778 176.600 0.064 0.000 1.048 502 K CA 1.242 57.553 56.287 0.041 0.000 0.929 502 K CB -0.420 32.108 32.500 0.046 0.000 0.713 502 K HN 0.318 nan 8.250 nan 0.000 0.439 503 M N 0.678 120.341 119.600 0.105 0.000 2.080 503 M HA -0.167 4.311 4.480 -0.003 0.000 0.260 503 M C 2.285 178.648 176.300 0.106 0.000 1.068 503 M CA 1.509 56.916 55.300 0.178 0.000 1.109 503 M CB -0.341 32.456 32.600 0.328 0.000 1.342 503 M HN 0.059 nan 8.290 nan 0.000 0.405 504 L N -0.118 121.109 121.223 0.005 0.000 2.353 504 L HA -0.210 4.128 4.340 -0.003 0.000 0.220 504 L C 2.626 179.461 176.870 -0.058 0.000 1.133 504 L CA 0.646 55.414 54.840 -0.119 0.000 0.798 504 L CB -0.766 41.228 42.059 -0.108 0.000 0.922 504 L HN 0.410 nan 8.230 nan 0.000 0.445 505 Q N 0.335 120.128 119.800 -0.011 0.000 2.135 505 Q HA -0.145 4.193 4.340 -0.003 0.000 0.204 505 Q C 1.240 177.249 176.000 0.015 0.000 0.981 505 Q CA 1.161 56.965 55.803 0.000 0.000 0.856 505 Q CB -0.281 28.465 28.738 0.014 0.000 0.902 505 Q HN 0.605 nan 8.270 nan 0.000 0.425 506 N N 0.174 118.895 118.700 0.035 0.000 2.322 506 N HA 0.068 4.806 4.740 -0.003 0.000 0.216 506 N C -0.508 175.035 175.510 0.056 0.000 1.144 506 N CA 0.114 53.197 53.050 0.055 0.000 0.830 506 N CB 0.972 39.508 38.487 0.080 0.000 1.034 506 N HN -0.054 nan 8.380 nan 0.000 0.484 507 V N 0.799 120.721 119.914 0.013 0.000 2.656 507 V HA 0.199 4.317 4.120 -0.003 0.000 0.307 507 V C 0.124 176.216 176.094 -0.003 0.000 1.051 507 V CA -0.889 61.415 62.300 0.006 0.000 0.893 507 V CB 2.673 34.437 31.823 -0.098 0.000 0.999 507 V HN 0.021 nan 8.190 nan 0.000 0.426 508 Q N 4.201 124.016 119.800 0.025 0.000 2.815 508 Q HA 0.288 4.626 4.340 -0.003 0.000 0.235 508 Q C -0.372 175.605 176.000 -0.039 0.000 1.354 508 Q CA -0.210 55.587 55.803 -0.011 0.000 0.953 508 Q CB 0.265 29.021 28.738 0.030 0.000 1.613 508 Q HN 0.528 nan 8.270 nan 0.000 0.572 509 M N 3.208 122.768 119.600 -0.067 0.000 2.242 509 M HA 0.287 4.765 4.480 -0.003 0.000 0.344 509 M C -1.865 174.371 176.300 -0.108 0.000 1.140 509 M CA -2.236 53.014 55.300 -0.083 0.000 1.160 509 M CB -0.243 32.310 32.600 -0.079 0.000 1.491 509 M HN 0.263 nan 8.290 nan 0.000 0.459 510 P HA 0.265 nan 4.420 nan 0.000 0.277 510 P C -0.836 176.390 177.300 -0.124 0.000 1.271 510 P CA -0.382 62.635 63.100 -0.139 0.000 0.795 510 P CB 0.681 32.286 31.700 -0.157 0.000 1.101 511 S N -1.032 114.582 115.700 -0.144 0.000 2.664 511 S HA 0.626 5.094 4.470 -0.003 0.000 0.304 511 S C -0.577 173.941 174.600 -0.136 0.000 1.099 511 S CA -0.774 57.357 58.200 -0.115 0.000 1.003 511 S CB 1.860 64.993 63.200 -0.112 0.000 1.092 511 S HN 0.538 nan 8.310 nan 0.000 0.525 512 K N 0.587 120.932 120.400 -0.090 0.000 2.397 512 K HA 0.448 4.766 4.320 -0.003 0.000 0.253 512 K C -1.378 175.184 176.600 -0.064 0.000 0.932 512 K CA -0.573 55.664 56.287 -0.083 0.000 0.795 512 K CB 1.514 33.988 32.500 -0.042 0.000 1.159 512 K HN 0.746 nan 8.250 nan 0.000 0.424 513 K N 4.744 125.099 120.400 -0.074 0.000 2.244 513 K HA 0.371 4.689 4.320 -0.003 0.000 0.260 513 K C -1.673 174.910 176.600 -0.028 0.000 0.951 513 K CA -0.880 55.379 56.287 -0.047 0.000 0.826 513 K CB 1.130 33.592 32.500 -0.063 0.000 1.108 513 K HN 0.469 nan 8.250 nan 0.000 0.433 514 L N 3.876 125.094 121.223 -0.007 0.000 2.343 514 L HA 0.528 4.866 4.340 -0.003 0.000 0.278 514 L C -1.322 175.557 176.870 0.015 0.000 0.996 514 L CA 0.127 54.986 54.840 0.033 0.000 0.831 514 L CB 1.437 43.582 42.059 0.144 0.000 1.232 514 L HN 0.845 nan 8.230 nan 0.000 0.413 515 D N 2.745 122.975 120.400 -0.283 0.000 2.921 515 D HA 0.573 5.211 4.640 -0.003 0.000 0.329 515 D C -1.559 174.386 176.300 -0.592 0.000 1.293 515 D CA 0.020 53.782 54.000 -0.397 0.000 0.964 515 D CB 1.522 42.069 40.800 -0.422 0.000 1.435 515 D HN 0.218 nan 8.370 nan 0.000 0.548 516 F N -0.364 119.240 119.950 -0.577 0.000 2.643 516 F HA 0.732 5.256 4.527 -0.003 0.000 0.314 516 F C -0.972 174.884 175.800 0.094 0.000 1.096 516 F CA -1.127 56.643 58.000 -0.384 0.000 0.953 516 F CB 0.880 39.208 39.000 -1.121 0.000 1.345 516 F HN 0.306 nan 8.300 nan 0.000 0.468 517 I N -0.048 120.761 120.570 0.399 0.000 2.785 517 I HA 0.688 4.856 4.170 -0.003 0.000 0.302 517 I C -1.431 174.910 176.117 0.373 0.000 1.069 517 I CA -1.237 60.237 61.300 0.289 0.000 1.045 517 I CB 2.507 40.673 38.000 0.277 0.000 1.236 517 I HN 0.643 nan 8.210 nan 0.000 0.429 518 I N 5.030 125.756 120.570 0.260 0.000 2.321 518 I HA 0.417 4.585 4.170 -0.003 0.000 0.291 518 I C -0.787 175.462 176.117 0.220 0.000 0.998 518 I CA -0.489 60.955 61.300 0.239 0.000 1.227 518 I CB 1.481 39.585 38.000 0.174 0.000 1.368 518 I HN 0.365 nan 8.210 nan 0.000 0.466 519 L N 6.633 128.040 121.223 0.307 0.000 2.376 519 L HA 0.435 4.773 4.340 -0.003 0.000 0.275 519 L C -0.159 176.852 176.870 0.235 0.000 0.987 519 L CA -0.720 54.282 54.840 0.270 0.000 0.828 519 L CB 1.380 43.644 42.059 0.342 0.000 1.249 519 L HN 0.595 nan 8.230 nan 0.000 0.409 520 N N 2.643 121.419 118.700 0.128 0.000 2.740 520 N HA -0.198 4.540 4.740 -0.003 0.000 0.248 520 N C 0.010 175.562 175.510 0.069 0.000 1.062 520 N CA 1.132 54.234 53.050 0.087 0.000 0.704 520 N CB -0.720 37.819 38.487 0.086 0.000 0.968 520 N HN 0.772 nan 8.380 nan 0.000 0.547 521 E N -4.233 116.004 120.200 0.062 0.000 3.496 521 E HA -0.239 4.109 4.350 -0.003 0.000 0.300 521 E C -0.101 176.499 176.600 -0.000 0.000 0.877 521 E CA 1.649 58.068 56.400 0.033 0.000 1.050 521 E CB -2.391 27.320 29.700 0.019 0.000 1.532 521 E HN 0.792 nan 8.360 nan 0.000 0.447 522 T N -1.941 112.606 114.554 -0.011 0.000 2.863 522 T HA 0.634 4.982 4.350 -0.003 0.000 0.285 522 T C -0.063 174.482 174.700 -0.259 0.000 1.009 522 T CA -1.008 60.988 62.100 -0.173 0.000 0.989 522 T CB 2.474 71.167 68.868 -0.291 0.000 1.004 522 T HN -0.039 nan 8.240 nan 0.000 0.455 523 K N 1.713 121.914 120.400 -0.332 0.000 2.276 523 K HA 0.507 4.825 4.320 -0.003 0.000 0.283 523 K C -1.198 175.137 176.600 -0.441 0.000 1.044 523 K CA -0.348 55.770 56.287 -0.280 0.000 0.944 523 K CB 0.641 32.857 32.500 -0.473 0.000 1.012 523 K HN 0.539 nan 8.250 nan 0.000 0.472 524 F N 2.036 122.068 119.950 0.137 0.000 2.536 524 F HA 0.288 4.813 4.527 -0.003 0.000 0.322 524 F C -0.638 175.271 175.800 0.182 0.000 1.144 524 F CA -0.925 57.162 58.000 0.145 0.000 0.924 524 F CB 1.032 40.140 39.000 0.181 0.000 1.181 524 F HN 0.429 nan 8.300 nan 0.000 0.438 525 W N 3.882 125.326 121.300 0.242 0.000 2.251 525 W HA 0.480 5.138 4.660 -0.003 0.000 0.329 525 W C -0.516 176.183 176.519 0.301 0.000 1.234 525 W CA -0.547 56.950 57.345 0.254 0.000 1.228 525 W CB 0.477 30.020 29.460 0.138 0.000 1.135 525 W HN 0.433 nan 8.180 nan 0.000 0.576 526 Y N -0.551 120.084 120.300 0.559 0.000 2.655 526 Y HA 0.666 5.214 4.550 -0.003 0.000 0.336 526 Y C -0.948 175.185 175.900 0.389 0.000 1.154 526 Y CA -1.899 56.526 58.100 0.543 0.000 1.055 526 Y CB 1.085 40.036 38.460 0.818 0.000 1.295 526 Y HN 0.566 nan 8.280 nan 0.000 0.465 527 Q N 1.832 121.886 119.800 0.423 0.000 2.456 527 Q HA 0.794 5.132 4.340 -0.003 0.000 0.283 527 Q C -1.841 174.292 176.000 0.223 0.000 1.084 527 Q CA -1.214 54.714 55.803 0.207 0.000 0.801 527 Q CB 3.404 32.228 28.738 0.143 0.000 1.434 527 Q HN 0.862 nan 8.270 nan 0.000 0.419 528 M N 2.113 121.756 119.600 0.072 0.000 2.324 528 M HA 0.422 4.900 4.480 -0.003 0.000 0.288 528 M C -1.381 174.840 176.300 -0.131 0.000 1.097 528 M CA -0.872 54.394 55.300 -0.057 0.000 0.928 528 M CB 2.305 34.818 32.600 -0.146 0.000 1.648 528 M HN 0.598 nan 8.290 nan 0.000 0.460 529 I N 4.925 125.410 120.570 -0.142 0.000 2.312 529 I HA 0.377 4.545 4.170 -0.003 0.000 0.291 529 I C -0.400 175.551 176.117 -0.276 0.000 1.031 529 I CA -0.276 60.919 61.300 -0.175 0.000 1.293 529 I CB 0.332 38.249 38.000 -0.137 0.000 1.403 529 I HN 0.640 nan 8.210 nan 0.000 0.484 530 L N 8.341 129.352 121.223 -0.352 0.000 2.309 530 L HA 0.465 4.803 4.340 -0.003 0.000 0.282 530 L C -2.207 174.450 176.870 -0.354 0.000 1.036 530 L CA -1.799 52.723 54.840 -0.531 0.000 0.806 530 L CB 1.339 42.925 42.059 -0.789 0.000 1.220 530 L HN 0.268 nan 8.230 nan 0.000 0.429 531 P HA 0.102 nan 4.420 nan 0.000 0.270 531 P C -2.497 174.739 177.300 -0.106 0.000 1.223 531 P CA -0.901 62.103 63.100 -0.159 0.000 0.785 531 P CB -0.089 31.565 31.700 -0.076 0.000 0.923 532 P HA 0.015 nan 4.420 nan 0.000 0.269 532 P C -0.581 176.625 177.300 -0.156 0.000 1.209 532 P CA 0.435 63.386 63.100 -0.247 0.000 0.776 532 P CB -0.278 31.229 31.700 -0.320 0.000 0.876 533 H N -1.617 117.488 119.070 0.058 0.000 2.791 533 H HA -0.221 4.333 4.556 -0.003 0.000 0.302 533 H C -0.068 175.323 175.328 0.104 0.000 1.198 533 H CA -0.271 55.817 56.048 0.066 0.000 1.145 533 H CB -2.391 27.403 29.762 0.054 0.000 1.385 533 H HN 0.309 nan 8.280 nan 0.000 0.409 534 F N 2.486 122.424 119.950 -0.020 0.000 2.593 534 F HA 0.089 4.614 4.527 -0.003 0.000 0.393 534 F C 0.507 176.316 175.800 0.014 0.000 1.037 534 F CA -0.256 57.684 58.000 -0.099 0.000 1.195 534 F CB 0.410 39.234 39.000 -0.294 0.000 1.034 534 F HN 0.274 nan 8.300 nan 0.000 0.552 535 D N 6.325 126.460 120.400 -0.441 0.000 2.453 535 D HA 0.129 4.767 4.640 -0.003 0.000 0.238 535 D C 0.634 176.556 176.300 -0.629 0.000 1.088 535 D CA -0.583 53.172 54.000 -0.410 0.000 0.854 535 D CB 1.015 41.743 40.800 -0.121 0.000 1.076 535 D HN 0.696 nan 8.370 nan 0.000 0.533 536 K N 1.177 121.146 120.400 -0.719 0.000 2.519 536 K HA -0.098 4.220 4.320 -0.003 0.000 0.196 536 K C 1.009 177.590 176.600 -0.032 0.000 1.041 536 K CA 0.866 56.921 56.287 -0.386 0.000 0.954 536 K CB -0.100 32.330 32.500 -0.116 0.000 0.774 536 K HN 0.197 nan 8.250 nan 0.000 0.480 537 S N -0.104 115.546 115.700 -0.083 0.000 2.575 537 S HA 0.112 4.580 4.470 -0.003 0.000 0.215 537 S C 0.150 174.725 174.600 -0.042 0.000 0.966 537 S CA -0.568 57.612 58.200 -0.033 0.000 0.911 537 S CB 0.014 63.185 63.200 -0.048 0.000 0.780 537 S HN 0.226 nan 8.310 nan 0.000 0.514 538 K N 0.989 121.352 120.400 -0.061 0.000 2.185 538 K HA 0.483 4.801 4.320 -0.003 0.000 0.240 538 K C -0.729 175.827 176.600 -0.073 0.000 0.983 538 K CA -0.954 55.240 56.287 -0.155 0.000 0.873 538 K CB 0.814 33.089 32.500 -0.376 0.000 1.118 538 K HN -0.058 nan 8.250 nan 0.000 0.441 539 K N 2.226 122.530 120.400 -0.160 0.000 2.293 539 K HA 0.283 4.601 4.320 -0.003 0.000 0.267 539 K C -0.986 175.534 176.600 -0.134 0.000 1.010 539 K CA -0.352 55.912 56.287 -0.038 0.000 0.875 539 K CB 0.717 33.185 32.500 -0.055 0.000 1.106 539 K HN 0.481 nan 8.250 nan 0.000 0.450 540 Y N 2.997 123.344 120.300 0.080 0.000 2.420 540 Y HA 0.283 4.831 4.550 -0.003 0.000 0.334 540 Y C -1.749 174.097 175.900 -0.090 0.000 1.094 540 Y CA -2.203 55.910 58.100 0.021 0.000 1.126 540 Y CB 1.192 39.723 38.460 0.118 0.000 1.217 540 Y HN 0.437 nan 8.280 nan 0.000 0.462 541 P HA 0.160 nan 4.420 nan 0.000 0.275 541 P C -1.124 176.020 177.300 -0.259 0.000 1.228 541 P CA -0.177 62.647 63.100 -0.460 0.000 0.786 541 P CB 1.622 32.686 31.700 -1.060 0.000 0.927 542 L N 3.095 124.218 121.223 -0.167 0.000 2.365 542 L HA 0.523 4.861 4.340 -0.003 0.000 0.273 542 L C -1.112 175.930 176.870 0.286 0.000 1.000 542 L CA -1.216 53.665 54.840 0.069 0.000 0.819 542 L CB 1.747 43.867 42.059 0.101 0.000 1.284 542 L HN 0.175 nan 8.230 nan 0.000 0.418 543 L N 5.459 126.861 121.223 0.298 0.000 2.319 543 L HA 0.474 4.812 4.340 -0.003 0.000 0.281 543 L C -1.201 175.894 176.870 0.376 0.000 1.005 543 L CA -0.338 54.740 54.840 0.398 0.000 0.828 543 L CB 1.553 43.807 42.059 0.326 0.000 1.227 543 L HN 0.590 nan 8.230 nan 0.000 0.415 544 L N 5.165 126.657 121.223 0.447 0.000 2.283 544 L HA 0.384 4.722 4.340 -0.003 0.000 0.287 544 L C -0.487 176.619 176.870 0.392 0.000 1.073 544 L CA 0.252 55.344 54.840 0.420 0.000 0.822 544 L CB 0.477 42.819 42.059 0.472 0.000 1.186 544 L HN 0.623 nan 8.230 nan 0.000 0.436 545 D N 4.558 125.168 120.400 0.349 0.000 2.347 545 D HA 0.240 4.878 4.640 -0.003 0.000 0.235 545 D C -0.989 175.392 176.300 0.136 0.000 1.149 545 D CA 0.084 54.219 54.000 0.226 0.000 0.850 545 D CB 1.232 42.232 40.800 0.334 0.000 1.061 545 D HN 0.337 nan 8.370 nan 0.000 0.487 546 V N 5.345 125.265 119.914 0.010 0.000 2.864 546 V HA 0.465 4.583 4.120 -0.003 0.000 0.314 546 V C -0.947 175.217 176.094 0.118 0.000 1.073 546 V CA -0.432 61.932 62.300 0.105 0.000 0.956 546 V CB 1.906 33.796 31.823 0.113 0.000 1.023 546 V HN 0.663 nan 8.190 nan 0.000 0.435 547 Y N 4.636 125.003 120.300 0.111 0.000 3.266 547 Y HA 0.552 5.100 4.550 -0.003 0.000 0.189 547 Y C 1.513 177.549 175.900 0.226 0.000 0.895 547 Y CA 1.226 59.419 58.100 0.154 0.000 1.706 547 Y CB 0.243 38.772 38.460 0.116 0.000 1.449 547 Y HN 1.049 nan 8.280 nan 0.000 0.391 548 A N 0.914 123.874 122.820 0.232 0.000 2.899 548 A HA -0.168 4.150 4.320 -0.003 0.000 0.257 548 A C 0.903 178.383 177.584 -0.175 0.000 1.335 548 A CA 0.987 53.096 52.037 0.120 0.000 0.924 548 A CB -2.494 16.615 19.000 0.181 0.000 1.105 548 A HN 0.970 nan 8.150 nan 0.000 0.765 549 G N -0.471 108.006 108.800 -0.539 0.000 2.599 549 G HA2 0.507 4.465 3.960 -0.003 0.000 0.264 549 G HA3 0.507 4.465 3.960 -0.003 0.000 0.264 549 G C -1.883 172.742 174.900 -0.458 0.000 1.200 549 G CA -0.652 43.685 45.100 -1.272 0.000 0.896 549 G HN 0.410 nan 8.290 nan 0.000 0.536 550 P HA 0.016 nan 4.420 nan 0.000 0.264 550 P C 0.606 177.792 177.300 -0.191 0.000 1.193 550 P CA 0.252 63.104 63.100 -0.413 0.000 0.763 550 P CB 0.784 31.875 31.700 -1.014 0.000 0.810 551 C N 2.109 121.349 119.300 -0.100 0.000 4.465 551 C HA -0.149 4.309 4.460 -0.003 0.000 0.274 551 C C 1.111 176.115 174.990 0.023 0.000 1.337 551 C CA 1.208 60.143 59.018 -0.138 0.000 1.822 551 C CB -2.605 24.928 27.740 -0.344 0.000 1.357 551 C HN 0.835 nan 8.230 nan 0.000 0.753 552 S N 0.044 115.814 115.700 0.118 0.000 2.632 552 S HA 0.560 5.028 4.470 -0.003 0.000 0.267 552 S C -0.601 174.131 174.600 0.220 0.000 1.276 552 S CA 0.155 58.490 58.200 0.224 0.000 0.998 552 S CB 1.635 65.037 63.200 0.338 0.000 0.953 552 S HN 0.797 nan 8.310 nan 0.000 0.547 553 Q N 0.160 120.119 119.800 0.264 0.000 2.374 553 Q HA 0.348 4.686 4.340 -0.003 0.000 0.250 553 Q C -0.644 175.478 176.000 0.204 0.000 0.918 553 Q CA -0.575 55.388 55.803 0.267 0.000 0.778 553 Q CB 0.954 29.922 28.738 0.384 0.000 1.328 553 Q HN 0.695 nan 8.270 nan 0.000 0.445 554 K N 1.064 121.584 120.400 0.200 0.000 2.358 554 K HA 0.334 4.652 4.320 -0.003 0.000 0.200 554 K C -0.406 176.303 176.600 0.181 0.000 1.030 554 K CA 0.257 56.654 56.287 0.183 0.000 1.097 554 K CB 1.459 34.092 32.500 0.222 0.000 0.862 554 K HN 0.487 nan 8.250 nan 0.000 0.534 555 A N 2.708 125.643 122.820 0.193 0.000 2.293 555 A HA 0.451 4.769 4.320 -0.003 0.000 0.312 555 A C -0.853 176.812 177.584 0.135 0.000 1.309 555 A CA -0.567 51.587 52.037 0.195 0.000 0.839 555 A CB 0.295 19.466 19.000 0.286 0.000 1.155 555 A HN 0.231 nan 8.150 nan 0.000 0.501 556 D N -0.049 120.408 120.400 0.095 0.000 2.759 556 D HA 0.394 5.032 4.640 -0.003 0.000 0.321 556 D C 0.402 176.733 176.300 0.051 0.000 1.267 556 D CA 0.293 54.340 54.000 0.078 0.000 0.933 556 D CB 0.271 41.131 40.800 0.100 0.000 1.431 556 D HN 0.197 nan 8.370 nan 0.000 0.504 557 T N -2.239 112.365 114.554 0.084 0.000 3.163 557 T HA 0.314 4.662 4.350 -0.003 0.000 0.252 557 T C 0.460 175.144 174.700 -0.026 0.000 1.056 557 T CA -0.353 61.784 62.100 0.062 0.000 0.947 557 T CB -0.713 68.228 68.868 0.122 0.000 1.016 557 T HN 0.269 nan 8.240 nan 0.000 0.554 558 V N 2.399 122.204 119.914 -0.182 0.000 2.686 558 V HA 0.345 4.463 4.120 -0.003 0.000 0.295 558 V C 0.049 176.098 176.094 -0.075 0.000 1.055 558 V CA -0.961 61.188 62.300 -0.252 0.000 1.050 558 V CB 0.282 31.829 31.823 -0.460 0.000 0.984 558 V HN 0.553 nan 8.190 nan 0.000 0.482 559 F N 6.171 126.028 119.950 -0.155 0.000 2.411 559 F HA 0.572 5.097 4.527 -0.003 0.000 0.355 559 F C 0.429 176.172 175.800 -0.095 0.000 1.117 559 F CA -0.309 57.624 58.000 -0.112 0.000 1.139 559 F CB 0.278 39.220 39.000 -0.098 0.000 1.120 559 F HN 0.424 nan 8.300 nan 0.000 0.493 560 R N 6.380 126.401 120.500 -0.798 0.000 2.750 560 R HA 0.591 4.929 4.340 -0.003 0.000 0.281 560 R C -1.548 174.288 176.300 -0.774 0.000 0.972 560 R CA -1.110 54.627 56.100 -0.605 0.000 0.912 560 R CB 2.210 32.336 30.300 -0.289 0.000 1.187 560 R HN 0.653 nan 8.270 nan 0.000 0.464 561 L N 3.991 124.942 121.223 -0.454 0.000 2.337 561 L HA 0.389 4.727 4.340 -0.003 0.000 0.269 561 L C -0.717 176.101 176.870 -0.088 0.000 1.018 561 L CA -0.636 53.996 54.840 -0.346 0.000 0.876 561 L CB 0.562 42.547 42.059 -0.124 0.000 1.236 561 L HN 0.786 nan 8.230 nan 0.000 0.436 562 N N 0.283 118.857 118.700 -0.210 0.000 3.479 562 N HA 0.167 4.905 4.740 -0.003 0.000 0.336 562 N C 0.220 175.347 175.510 -0.638 0.000 1.623 562 N CA -0.836 51.989 53.050 -0.375 0.000 0.759 562 N CB 0.167 38.570 38.487 -0.139 0.000 2.016 562 N HN 0.262 nan 8.380 nan 0.000 0.637 563 W N 0.688 121.383 121.300 -1.009 0.000 2.358 563 W HA 0.171 4.829 4.660 -0.003 0.000 0.303 563 W C 2.127 178.580 176.519 -0.111 0.000 1.208 563 W CA 2.920 59.921 57.345 -0.574 0.000 1.274 563 W CB -1.054 28.224 29.460 -0.304 0.000 1.138 563 W HN 0.697 nan 8.180 nan 0.000 0.515 564 A N -0.521 122.276 122.820 -0.037 0.000 1.978 564 A HA -0.220 4.098 4.320 -0.003 0.000 0.220 564 A C 1.937 179.412 177.584 -0.181 0.000 1.170 564 A CA 2.528 54.480 52.037 -0.142 0.000 0.636 564 A CB -1.278 17.723 19.000 0.001 0.000 0.810 564 A HN 0.310 nan 8.150 nan 0.000 0.448 565 T N -1.210 113.250 114.554 -0.155 0.000 2.708 565 T HA -0.202 4.146 4.350 -0.003 0.000 0.266 565 T C 1.820 176.537 174.700 0.028 0.000 1.037 565 T CA 1.760 63.753 62.100 -0.178 0.000 1.146 565 T CB -0.493 68.108 68.868 -0.444 0.000 0.865 565 T HN 0.715 nan 8.240 nan 0.000 0.435 566 Y N 2.095 122.473 120.300 0.131 0.000 2.163 566 Y HA -0.017 4.531 4.550 -0.003 0.000 0.288 566 Y C 1.951 177.834 175.900 -0.029 0.000 1.136 566 Y CA 0.895 59.103 58.100 0.179 0.000 1.147 566 Y CB -0.799 37.752 38.460 0.152 0.000 0.987 566 Y HN 0.117 nan 8.280 nan 0.000 0.509 567 L N 0.380 121.151 121.223 -0.753 0.000 2.042 567 L HA -0.239 4.099 4.340 -0.003 0.000 0.210 567 L C 2.862 179.470 176.870 -0.437 0.000 1.076 567 L CA 1.450 55.792 54.840 -0.831 0.000 0.749 567 L CB -1.065 40.550 42.059 -0.741 0.000 0.893 567 L HN 0.426 nan 8.230 nan 0.000 0.432 568 A N -1.152 121.496 122.820 -0.288 0.000 1.872 568 A HA -0.190 4.128 4.320 -0.003 0.000 0.214 568 A C 2.529 180.033 177.584 -0.133 0.000 1.187 568 A CA 1.827 53.748 52.037 -0.194 0.000 0.614 568 A CB -0.666 18.220 19.000 -0.190 0.000 0.826 568 A HN 0.347 nan 8.150 nan 0.000 0.442 569 S N -1.258 114.386 115.700 -0.094 0.000 2.355 569 S HA -0.115 4.353 4.470 -0.003 0.000 0.222 569 S C 1.982 176.594 174.600 0.019 0.000 1.031 569 S CA 2.274 60.468 58.200 -0.010 0.000 0.993 569 S CB -0.384 62.868 63.200 0.087 0.000 0.859 569 S HN 0.575 nan 8.310 nan 0.000 0.453 570 T N 1.113 115.660 114.554 -0.011 0.000 3.021 570 T HA 0.187 4.535 4.350 -0.003 0.000 0.245 570 T C 1.360 176.037 174.700 -0.040 0.000 1.028 570 T CA 0.503 62.621 62.100 0.030 0.000 1.139 570 T CB -0.081 68.898 68.868 0.185 0.000 0.884 570 T HN 0.295 nan 8.240 nan 0.000 0.457 571 E N 1.358 121.440 120.200 -0.197 0.000 2.479 571 E HA 0.156 4.504 4.350 -0.003 0.000 0.193 571 E C -0.020 176.552 176.600 -0.048 0.000 1.049 571 E CA -0.071 56.251 56.400 -0.132 0.000 0.870 571 E CB -0.380 29.173 29.700 -0.245 0.000 0.944 571 E HN 0.548 nan 8.360 nan 0.000 0.492 572 N N 0.619 119.299 118.700 -0.032 0.000 2.740 572 N HA -0.199 4.539 4.740 -0.003 0.000 0.248 572 N C -0.783 174.776 175.510 0.083 0.000 1.062 572 N CA 0.235 53.325 53.050 0.066 0.000 0.704 572 N CB -1.246 37.336 38.487 0.158 0.000 0.968 572 N HN 0.208 nan 8.380 nan 0.000 0.547 573 I N 0.810 121.359 120.570 -0.035 0.000 2.412 573 I HA 0.357 4.525 4.170 -0.003 0.000 0.296 573 I C 0.576 176.639 176.117 -0.090 0.000 0.987 573 I CA -0.838 60.444 61.300 -0.031 0.000 1.180 573 I CB 1.384 39.371 38.000 -0.021 0.000 1.340 573 I HN 0.038 nan 8.210 nan 0.000 0.455 574 I N 6.347 126.871 120.570 -0.076 0.000 2.352 574 I HA 0.171 4.339 4.170 -0.003 0.000 0.290 574 I C -0.467 175.613 176.117 -0.063 0.000 1.036 574 I CA -0.435 60.776 61.300 -0.149 0.000 1.336 574 I CB 1.056 38.967 38.000 -0.148 0.000 1.407 574 I HN 0.183 nan 8.210 nan 0.000 0.497 575 V N 6.894 126.762 119.914 -0.077 0.000 2.328 575 V HA 0.566 4.684 4.120 -0.003 0.000 0.278 575 V C 0.408 176.521 176.094 0.031 0.000 1.021 575 V CA -0.431 61.881 62.300 0.020 0.000 0.838 575 V CB 1.104 32.935 31.823 0.014 0.000 0.999 575 V HN 0.836 nan 8.190 nan 0.000 0.447 576 A N 4.087 126.958 122.820 0.085 0.000 2.311 576 A HA 0.946 5.264 4.320 -0.003 0.000 0.334 576 A C -0.105 177.640 177.584 0.268 0.000 1.139 576 A CA -0.498 51.592 52.037 0.088 0.000 0.830 576 A CB 1.588 20.494 19.000 -0.156 0.000 1.234 576 A HN 0.684 nan 8.150 nan 0.000 0.483 577 S N -0.283 115.626 115.700 0.349 0.000 2.540 577 S HA 0.706 5.174 4.470 -0.003 0.000 0.275 577 S C -1.522 173.446 174.600 0.614 0.000 1.123 577 S CA -0.296 58.156 58.200 0.421 0.000 0.907 577 S CB 1.265 64.648 63.200 0.304 0.000 1.081 577 S HN 0.719 nan 8.310 nan 0.000 0.476 578 F N 1.904 122.098 119.950 0.405 0.000 2.556 578 F HA 0.518 5.043 4.527 -0.003 0.000 0.314 578 F C -1.432 174.568 175.800 0.333 0.000 1.106 578 F CA -0.791 57.465 58.000 0.426 0.000 0.911 578 F CB 1.535 40.741 39.000 0.343 0.000 1.190 578 F HN 0.390 nan 8.300 nan 0.000 0.448 579 D N 4.311 124.512 120.400 -0.332 0.000 2.460 579 D HA 0.395 5.033 4.640 -0.003 0.000 0.232 579 D C 0.270 176.302 176.300 -0.448 0.000 1.079 579 D CA 0.085 53.978 54.000 -0.178 0.000 0.864 579 D CB 1.502 42.343 40.800 0.068 0.000 1.048 579 D HN 0.764 nan 8.370 nan 0.000 0.523 580 G N 1.165 109.790 108.800 -0.292 0.000 2.736 580 G HA2 0.317 4.275 3.960 -0.003 0.000 0.229 580 G HA3 0.317 4.275 3.960 -0.003 0.000 0.229 580 G C 0.068 174.958 174.900 -0.018 0.000 1.380 580 G CA -0.756 44.167 45.100 -0.295 0.000 1.040 580 G HN 0.282 nan 8.290 nan 0.000 0.568 581 R N -0.591 119.866 120.500 -0.072 0.000 2.583 581 R HA 0.329 4.667 4.340 -0.003 0.000 0.274 581 R C 1.291 177.675 176.300 0.140 0.000 0.998 581 R CA 1.560 57.729 56.100 0.115 0.000 1.081 581 R CB 0.295 30.639 30.300 0.074 0.000 0.940 581 R HN 1.110 nan 8.270 nan 0.000 0.413 582 G N 1.216 110.100 108.800 0.140 0.000 2.234 582 G HA2 -0.337 3.621 3.960 -0.003 0.000 0.235 582 G HA3 -0.337 3.621 3.960 -0.003 0.000 0.235 582 G C 0.190 175.123 174.900 0.055 0.000 0.997 582 G CA 0.184 45.347 45.100 0.106 0.000 0.623 582 G HN 0.744 nan 8.290 nan 0.000 0.514 583 S N 0.351 116.094 115.700 0.073 0.000 2.589 583 S HA 0.637 5.105 4.470 -0.003 0.000 0.265 583 S C 0.881 175.470 174.600 -0.018 0.000 1.342 583 S CA 0.557 58.790 58.200 0.056 0.000 1.005 583 S CB 1.677 64.940 63.200 0.104 0.000 0.909 583 S HN 1.701 nan 8.310 nan 0.000 0.555 584 G N -0.998 107.747 108.800 -0.093 0.000 2.552 584 G HA2 0.502 4.460 3.960 -0.003 0.000 0.318 584 G HA3 0.502 4.460 3.960 -0.003 0.000 0.318 584 G C -0.976 173.774 174.900 -0.250 0.000 1.240 584 G CA -1.016 43.867 45.100 -0.362 0.000 1.002 584 G HN 0.950 nan 8.290 nan 0.000 0.493 585 Y N -2.339 117.967 120.300 0.010 0.000 4.604 585 Y HA -0.217 4.331 4.550 -0.003 0.000 0.230 585 Y C 1.342 177.242 175.900 0.000 0.000 1.066 585 Y CA 1.081 59.186 58.100 0.009 0.000 1.990 585 Y CB -2.242 36.238 38.460 0.034 0.000 1.619 585 Y HN 0.550 nan 8.280 nan 0.000 0.649 586 Q N -0.056 119.753 119.800 0.015 0.000 2.084 586 Q HA 0.516 4.854 4.340 -0.003 0.000 0.230 586 Q C 0.889 176.738 176.000 -0.250 0.000 0.806 586 Q CA 0.178 55.987 55.803 0.010 0.000 1.083 586 Q CB 1.560 30.314 28.738 0.028 0.000 1.208 586 Q HN 0.583 nan 8.270 nan 0.000 0.462 587 G N 0.768 109.280 108.800 -0.480 0.000 2.690 587 G HA2 -0.182 3.776 3.960 -0.003 0.000 0.686 587 G HA3 -0.182 3.776 3.960 -0.003 0.000 0.686 587 G C -0.491 174.038 174.900 -0.618 0.000 1.277 587 G CA -0.604 43.941 45.100 -0.925 0.000 0.799 587 G HN 0.131 nan 8.290 nan 0.000 0.613 588 D N 0.081 120.079 120.400 -0.670 0.000 2.264 588 D HA -0.037 4.601 4.640 -0.003 0.000 0.208 588 D C 2.250 178.263 176.300 -0.479 0.000 0.966 588 D CA 1.357 54.912 54.000 -0.741 0.000 0.864 588 D CB 0.084 40.383 40.800 -0.835 0.000 0.933 588 D HN 0.510 nan 8.370 nan 0.000 0.499 589 K N 0.961 121.148 120.400 -0.356 0.000 2.063 589 K HA -0.068 4.250 4.320 -0.003 0.000 0.208 589 K C 1.865 178.397 176.600 -0.112 0.000 1.048 589 K CA 1.062 57.236 56.287 -0.189 0.000 0.928 589 K CB -0.410 31.995 32.500 -0.159 0.000 0.713 589 K HN 0.139 nan 8.250 nan 0.000 0.442 590 I N -0.235 120.257 120.570 -0.130 0.000 2.400 590 I HA -0.123 4.045 4.170 -0.003 0.000 0.248 590 I C 2.534 178.652 176.117 0.001 0.000 1.109 590 I CA 0.946 62.244 61.300 -0.003 0.000 1.425 590 I CB -0.113 37.902 38.000 0.024 0.000 1.094 590 I HN 0.281 nan 8.210 nan 0.000 0.425 591 M N 0.010 119.538 119.600 -0.120 0.000 2.132 591 M HA -0.206 4.272 4.480 -0.003 0.000 0.263 591 M C 1.819 178.176 176.300 0.094 0.000 1.065 591 M CA 1.929 57.191 55.300 -0.062 0.000 1.122 591 M CB -0.251 32.221 32.600 -0.214 0.000 1.365 591 M HN 0.258 nan 8.290 nan 0.000 0.411 592 H N -0.721 118.253 119.070 -0.160 0.000 2.543 592 H HA 0.181 4.735 4.556 -0.003 0.000 0.269 592 H C 1.796 177.143 175.328 0.030 0.000 1.005 592 H CA 0.068 56.032 56.048 -0.141 0.000 1.146 592 H CB 0.156 29.743 29.762 -0.292 0.000 1.353 592 H HN 0.508 nan 8.280 nan 0.000 0.595 593 A N 1.544 124.472 122.820 0.181 0.000 2.024 593 A HA -0.135 4.183 4.320 -0.003 0.000 0.220 593 A C 2.039 179.820 177.584 0.330 0.000 1.164 593 A CA 1.105 53.271 52.037 0.215 0.000 0.643 593 A CB -0.627 18.472 19.000 0.166 0.000 0.806 593 A HN 0.581 nan 8.150 nan 0.000 0.451 594 I N -3.260 117.472 120.570 0.270 0.000 3.904 594 I HA 0.166 4.334 4.170 -0.003 0.000 0.333 594 I C 0.385 176.575 176.117 0.122 0.000 1.361 594 I CA -0.503 60.907 61.300 0.183 0.000 1.116 594 I CB -0.603 37.475 38.000 0.131 0.000 1.028 594 I HN 0.199 nan 8.210 nan 0.000 0.398 595 N N 3.062 121.878 118.700 0.193 0.000 2.359 595 N HA -0.092 4.646 4.740 -0.003 0.000 0.261 595 N C 0.243 175.773 175.510 0.034 0.000 1.267 595 N CA 0.378 53.537 53.050 0.183 0.000 0.864 595 N CB 0.328 38.881 38.487 0.110 0.000 1.063 595 N HN 0.410 nan 8.380 nan 0.000 0.474 596 R N 0.462 120.963 120.500 0.001 0.000 4.016 596 R HA -0.208 4.130 4.340 -0.003 0.000 0.385 596 R C -0.236 175.931 176.300 -0.223 0.000 1.158 596 R CA 0.944 56.999 56.100 -0.076 0.000 1.117 596 R CB -0.897 29.376 30.300 -0.044 0.000 1.635 596 R HN 0.562 nan 8.270 nan 0.000 0.560 597 R N 0.782 121.128 120.500 -0.257 0.000 2.718 597 R HA 0.350 4.688 4.340 -0.003 0.000 0.307 597 R C -0.501 175.713 176.300 -0.144 0.000 1.244 597 R CA -0.199 55.580 56.100 -0.534 0.000 1.348 597 R CB 0.534 30.511 30.300 -0.538 0.000 1.304 597 R HN 0.068 nan 8.270 nan 0.000 0.663 598 L N -0.390 120.848 121.223 0.025 0.000 2.483 598 L HA 0.230 4.568 4.340 -0.003 0.000 0.275 598 L C 1.304 178.413 176.870 0.398 0.000 1.220 598 L CA 0.910 55.818 54.840 0.112 0.000 0.833 598 L CB 0.551 42.465 42.059 -0.241 0.000 1.102 598 L HN 0.703 nan 8.230 nan 0.000 0.490 599 G N 0.674 109.746 108.800 0.452 0.000 2.137 599 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.237 599 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.237 599 G C 0.416 175.409 174.900 0.156 0.000 1.002 599 G CA 0.562 45.882 45.100 0.366 0.000 0.702 599 G HN 0.857 nan 8.290 nan 0.000 0.515 600 T N -3.660 110.940 114.554 0.077 0.000 3.257 600 T HA 0.472 4.820 4.350 -0.003 0.000 0.176 600 T C 1.630 176.330 174.700 0.000 0.000 0.892 600 T CA 0.887 62.940 62.100 -0.079 0.000 1.147 600 T CB -0.041 68.587 68.868 -0.401 0.000 1.840 600 T HN 0.155 nan 8.240 nan 0.000 0.375 601 F N 3.528 123.513 119.950 0.058 0.000 2.161 601 F HA 0.057 4.582 4.527 -0.003 0.000 0.300 601 F C 2.762 178.591 175.800 0.047 0.000 1.089 601 F CA 1.242 59.266 58.000 0.039 0.000 1.282 601 F CB -0.713 38.306 39.000 0.032 0.000 1.010 601 F HN 0.538 nan 8.300 nan 0.000 0.485 602 E N 0.578 120.931 120.200 0.254 0.000 2.274 602 E HA -0.100 4.248 4.350 -0.003 0.000 0.194 602 E C 2.035 178.737 176.600 0.171 0.000 0.996 602 E CA 1.210 57.732 56.400 0.203 0.000 0.840 602 E CB -0.902 28.921 29.700 0.206 0.000 0.772 602 E HN 0.303 nan 8.360 nan 0.000 0.491 603 V N 1.584 121.576 119.914 0.131 0.000 2.331 603 V HA -0.168 3.950 4.120 -0.003 0.000 0.242 603 V C 2.286 178.416 176.094 0.061 0.000 1.034 603 V CA 1.882 64.214 62.300 0.054 0.000 1.027 603 V CB -0.511 31.300 31.823 -0.020 0.000 0.667 603 V HN 0.184 nan 8.190 nan 0.000 0.457 604 E N 0.379 120.632 120.200 0.088 0.000 2.085 604 E HA -0.252 4.096 4.350 -0.003 0.000 0.194 604 E C 1.883 178.513 176.600 0.050 0.000 0.994 604 E CA 1.610 58.058 56.400 0.081 0.000 0.801 604 E CB -0.230 29.553 29.700 0.137 0.000 0.743 604 E HN 0.557 nan 8.360 nan 0.000 0.453 605 D N 0.273 120.717 120.400 0.072 0.000 2.218 605 D HA -0.148 4.490 4.640 -0.003 0.000 0.204 605 D C 1.892 178.180 176.300 -0.020 0.000 0.976 605 D CA 0.843 54.856 54.000 0.021 0.000 0.853 605 D CB -0.118 40.735 40.800 0.089 0.000 0.939 605 D HN 0.039 nan 8.370 nan 0.000 0.481 606 Q N 0.160 120.008 119.800 0.079 0.000 2.119 606 Q HA 0.019 4.357 4.340 -0.003 0.000 0.201 606 Q C 2.116 178.149 176.000 0.055 0.000 0.972 606 Q CA 0.777 56.635 55.803 0.093 0.000 0.847 606 Q CB -0.120 28.693 28.738 0.125 0.000 0.903 606 Q HN 0.334 nan 8.270 nan 0.000 0.433 607 I N -0.047 120.569 120.570 0.076 0.000 2.202 607 I HA -0.206 3.962 4.170 -0.003 0.000 0.242 607 I C 2.137 178.212 176.117 -0.070 0.000 1.091 607 I CA 1.221 62.603 61.300 0.138 0.000 1.368 607 I CB -0.260 37.812 38.000 0.121 0.000 1.058 607 I HN 0.201 nan 8.210 nan 0.000 0.410 608 E N 1.627 121.738 120.200 -0.150 0.000 2.153 608 E HA -0.198 4.150 4.350 -0.003 0.000 0.194 608 E C 2.065 178.379 176.600 -0.475 0.000 0.988 608 E CA 1.633 57.881 56.400 -0.253 0.000 0.811 608 E CB -0.166 29.405 29.700 -0.215 0.000 0.746 608 E HN 0.422 nan 8.360 nan 0.000 0.466 609 A N 0.650 123.050 122.820 -0.700 0.000 1.933 609 A HA -0.013 4.305 4.320 -0.003 0.000 0.218 609 A C 2.435 179.348 177.584 -1.117 0.000 1.175 609 A CA 1.965 53.259 52.037 -1.239 0.000 0.628 609 A CB -0.926 17.153 19.000 -1.535 0.000 0.814 609 A HN 0.372 nan 8.150 nan 0.000 0.444 610 A N -0.158 122.365 122.820 -0.495 0.000 1.933 610 A HA -0.149 4.169 4.320 -0.003 0.000 0.218 610 A C 2.243 179.651 177.584 -0.293 0.000 1.175 610 A CA 1.460 53.349 52.037 -0.247 0.000 0.628 610 A CB -0.430 18.466 19.000 -0.173 0.000 0.814 610 A HN 0.562 nan 8.150 nan 0.000 0.444 611 R N -0.738 119.571 120.500 -0.318 0.000 2.066 611 R HA -0.114 4.224 4.340 -0.003 0.000 0.232 611 R C 2.407 178.550 176.300 -0.261 0.000 1.131 611 R CA 1.386 57.336 56.100 -0.251 0.000 0.955 611 R CB -0.339 29.835 30.300 -0.211 0.000 0.851 611 R HN 0.547 nan 8.270 nan 0.000 0.432 612 Q N 0.001 119.576 119.800 -0.375 0.000 2.096 612 Q HA -0.155 4.183 4.340 -0.003 0.000 0.204 612 Q C 2.065 177.918 176.000 -0.245 0.000 0.982 612 Q CA 1.481 57.076 55.803 -0.346 0.000 0.850 612 Q CB -0.234 28.215 28.738 -0.481 0.000 0.901 612 Q HN 0.285 nan 8.270 nan 0.000 0.422 613 F N 1.330 121.116 119.950 -0.273 0.000 2.146 613 F HA -0.151 4.374 4.527 -0.003 0.000 0.298 613 F C 2.771 178.385 175.800 -0.309 0.000 1.096 613 F CA 1.242 59.069 58.000 -0.288 0.000 1.275 613 F CB -1.388 37.485 39.000 -0.213 0.000 1.008 613 F HN 0.094 nan 8.300 nan 0.000 0.480 614 S N 0.058 115.721 115.700 -0.061 0.000 2.382 614 S HA -0.213 4.255 4.470 -0.003 0.000 0.228 614 S C 1.740 176.237 174.600 -0.170 0.000 1.027 614 S CA 1.078 59.201 58.200 -0.128 0.000 0.991 614 S CB -0.717 62.410 63.200 -0.122 0.000 0.823 614 S HN 0.383 nan 8.310 nan 0.000 0.469 615 K N 0.571 120.876 120.400 -0.158 0.000 2.555 615 K HA 0.237 4.555 4.320 -0.003 0.000 0.193 615 K C 1.531 178.028 176.600 -0.171 0.000 1.032 615 K CA 0.528 56.728 56.287 -0.144 0.000 1.004 615 K CB -0.288 32.139 32.500 -0.122 0.000 0.804 615 K HN 0.498 nan 8.250 nan 0.000 0.496 616 M N -1.057 118.379 119.600 -0.274 0.000 2.556 616 M HA 0.057 4.535 4.480 -0.003 0.000 0.245 616 M C 1.255 177.288 176.300 -0.445 0.000 1.128 616 M CA 0.790 55.867 55.300 -0.372 0.000 1.069 616 M CB 0.484 32.743 32.600 -0.568 0.000 1.469 616 M HN 0.443 nan 8.290 nan 0.000 0.494 617 G N 1.229 109.807 108.800 -0.371 0.000 2.268 617 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.240 617 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.240 617 G C 0.408 175.248 174.900 -0.100 0.000 1.010 617 G CA 0.357 45.341 45.100 -0.194 0.000 0.618 617 G HN 0.577 nan 8.290 nan 0.000 0.516 618 F N 0.563 120.577 119.950 0.107 0.000 2.750 618 F HA 0.791 5.316 4.527 -0.003 0.000 0.297 618 F C 0.029 175.957 175.800 0.214 0.000 1.138 618 F CA -1.621 56.486 58.000 0.178 0.000 1.346 618 F CB 0.052 39.232 39.000 0.300 0.000 0.965 618 F HN 0.088 nan 8.300 nan 0.000 0.514 619 V N 1.141 121.096 119.914 0.068 0.000 2.540 619 V HA 0.247 4.365 4.120 -0.003 0.000 0.302 619 V C -0.804 175.295 176.094 0.008 0.000 1.035 619 V CA -0.781 61.569 62.300 0.084 0.000 0.873 619 V CB 1.847 33.660 31.823 -0.018 0.000 0.992 619 V HN 0.116 nan 8.190 nan 0.000 0.428 620 D N 3.762 124.159 120.400 -0.005 0.000 2.374 620 D HA 0.107 4.745 4.640 -0.003 0.000 0.240 620 D C 1.088 177.351 176.300 -0.062 0.000 1.229 620 D CA -0.019 53.950 54.000 -0.053 0.000 0.895 620 D CB 0.617 41.363 40.800 -0.090 0.000 1.046 620 D HN 0.440 nan 8.370 nan 0.000 0.498 621 N N 3.243 121.907 118.700 -0.060 0.000 2.430 621 N HA -0.145 4.593 4.740 -0.003 0.000 0.186 621 N C 0.937 176.417 175.510 -0.050 0.000 1.032 621 N CA 0.753 53.763 53.050 -0.067 0.000 0.893 621 N CB 0.198 38.642 38.487 -0.072 0.000 0.957 621 N HN 0.557 nan 8.380 nan 0.000 0.442 622 K N 0.322 120.700 120.400 -0.036 0.000 2.400 622 K HA 0.106 4.424 4.320 -0.003 0.000 0.194 622 K C 0.329 176.949 176.600 0.034 0.000 1.033 622 K CA 0.376 56.660 56.287 -0.005 0.000 1.021 622 K CB 0.385 32.881 32.500 -0.007 0.000 0.808 622 K HN 0.014 nan 8.250 nan 0.000 0.505 623 R N 1.280 121.775 120.500 -0.009 0.000 2.748 623 R HA 0.348 4.686 4.340 -0.003 0.000 0.283 623 R C -0.967 175.354 176.300 0.035 0.000 1.507 623 R CA -0.076 56.030 56.100 0.010 0.000 1.666 623 R CB 0.559 30.665 30.300 -0.323 0.000 1.237 623 R HN -0.009 nan 8.270 nan 0.000 0.633 624 I N 1.154 121.852 120.570 0.213 0.000 2.382 624 I HA 0.557 4.725 4.170 -0.003 0.000 0.286 624 I C 0.017 176.428 176.117 0.490 0.000 1.002 624 I CA -0.750 60.700 61.300 0.250 0.000 1.135 624 I CB 1.795 39.784 38.000 -0.018 0.000 1.288 624 I HN 0.324 nan 8.210 nan 0.000 0.448 625 A N 7.275 130.482 122.820 0.646 0.000 2.346 625 A HA 0.922 5.240 4.320 -0.003 0.000 0.313 625 A C -1.049 176.884 177.584 0.581 0.000 1.140 625 A CA -0.661 51.715 52.037 0.565 0.000 0.826 625 A CB 2.115 21.298 19.000 0.305 0.000 1.332 625 A HN 0.729 nan 8.150 nan 0.000 0.457 626 I N 0.383 121.198 120.570 0.408 0.000 2.722 626 I HA 0.698 4.866 4.170 -0.003 0.000 0.295 626 I C -1.920 174.439 176.117 0.402 0.000 1.161 626 I CA -0.597 60.875 61.300 0.286 0.000 1.032 626 I CB 1.718 39.586 38.000 -0.219 0.000 1.244 626 I HN 0.944 nan 8.210 nan 0.000 0.421 627 W N 6.974 128.395 121.300 0.202 0.000 3.137 627 W HA 0.837 5.495 4.660 -0.003 0.000 0.324 627 W C -1.531 175.140 176.519 0.252 0.000 1.253 627 W CA -0.903 56.582 57.345 0.233 0.000 1.183 627 W CB 1.065 30.724 29.460 0.332 0.000 1.424 627 W HN 0.838 nan 8.180 nan 0.000 0.566 628 G N 0.703 109.410 108.800 -0.156 0.000 2.547 628 G HA2 0.448 4.406 3.960 -0.003 0.000 0.291 628 G HA3 0.448 4.406 3.960 -0.003 0.000 0.291 628 G C -2.818 172.020 174.900 -0.103 0.000 1.471 628 G CA -0.750 44.102 45.100 -0.414 0.000 0.798 628 G HN 0.635 nan 8.290 nan 0.000 0.504 629 W N 0.972 122.129 121.300 -0.239 0.000 2.736 629 W HA 0.619 5.277 4.660 -0.003 0.000 0.335 629 W C 0.778 177.326 176.519 0.048 0.000 1.059 629 W CA 0.424 57.731 57.345 -0.064 0.000 1.226 629 W CB 1.891 31.321 29.460 -0.049 0.000 1.416 629 W HN 1.300 nan 8.180 nan 0.000 0.505 630 S N 2.498 118.446 115.700 0.413 0.000 4.116 630 S HA -0.424 4.044 4.470 -0.003 0.000 0.623 630 S C 1.078 175.777 174.600 0.166 0.000 1.933 630 S CA 1.719 60.175 58.200 0.426 0.000 4.224 630 S CB -1.847 61.769 63.200 0.693 0.000 0.208 630 S HN 0.741 nan 8.310 nan 0.000 0.527 631 Y N 2.449 122.716 120.300 -0.055 0.000 2.256 631 Y HA 0.051 4.599 4.550 -0.003 0.000 0.288 631 Y C 2.351 178.114 175.900 -0.228 0.000 1.155 631 Y CA 2.534 60.477 58.100 -0.262 0.000 1.203 631 Y CB -1.009 37.062 38.460 -0.648 0.000 0.980 631 Y HN 0.527 nan 8.280 nan 0.000 0.530 632 G N -0.998 107.746 108.800 -0.094 0.000 2.432 632 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.219 632 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.219 632 G C 1.908 176.822 174.900 0.024 0.000 1.135 632 G CA 0.720 45.822 45.100 0.002 0.000 0.767 632 G HN 0.570 nan 8.290 nan 0.000 0.550 633 G N -0.135 108.693 108.800 0.046 0.000 2.402 633 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.216 633 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.216 633 G C 1.588 176.513 174.900 0.041 0.000 1.162 633 G CA 1.068 46.189 45.100 0.035 0.000 0.777 633 G HN 0.412 nan 8.290 nan 0.000 0.539 634 Y N 1.462 121.659 120.300 -0.172 0.000 2.114 634 Y HA -0.143 4.405 4.550 -0.003 0.000 0.284 634 Y C 2.787 178.594 175.900 -0.154 0.000 1.143 634 Y CA 1.703 59.655 58.100 -0.247 0.000 1.135 634 Y CB -0.570 37.586 38.460 -0.506 0.000 0.980 634 Y HN 0.025 nan 8.280 nan 0.000 0.499 635 V N -0.159 119.636 119.914 -0.199 0.000 2.332 635 V HA -0.347 3.771 4.120 -0.003 0.000 0.248 635 V C 2.346 178.325 176.094 -0.193 0.000 1.055 635 V CA 2.454 64.617 62.300 -0.229 0.000 1.038 635 V CB -1.266 30.567 31.823 0.017 0.000 0.651 635 V HN 0.508 nan 8.190 nan 0.000 0.450 636 T N -0.038 114.459 114.554 -0.096 0.000 2.665 636 T HA -0.219 4.129 4.350 -0.003 0.000 0.268 636 T C 2.138 176.784 174.700 -0.090 0.000 1.035 636 T CA 2.105 64.161 62.100 -0.073 0.000 1.151 636 T CB -0.305 68.599 68.868 0.060 0.000 0.862 636 T HN 0.538 nan 8.240 nan 0.000 0.438 637 S N 1.029 116.716 115.700 -0.021 0.000 2.368 637 S HA -0.033 4.435 4.470 -0.003 0.000 0.225 637 S C 2.154 176.679 174.600 -0.125 0.000 1.030 637 S CA 0.977 59.199 58.200 0.035 0.000 0.999 637 S CB -0.294 62.979 63.200 0.122 0.000 0.844 637 S HN 0.323 nan 8.310 nan 0.000 0.459 638 M N 0.930 120.362 119.600 -0.281 0.000 2.117 638 M HA -0.034 4.444 4.480 -0.003 0.000 0.262 638 M C 2.225 178.365 176.300 -0.267 0.000 1.065 638 M CA 1.089 56.200 55.300 -0.314 0.000 1.114 638 M CB -1.433 30.869 32.600 -0.496 0.000 1.361 638 M HN 0.180 nan 8.290 nan 0.000 0.408 639 V N 0.668 120.417 119.914 -0.274 0.000 2.307 639 V HA -0.238 3.880 4.120 -0.003 0.000 0.245 639 V C 2.519 178.422 176.094 -0.318 0.000 1.045 639 V CA 1.409 63.548 62.300 -0.268 0.000 1.024 639 V CB -0.651 30.948 31.823 -0.374 0.000 0.651 639 V HN 0.398 nan 8.190 nan 0.000 0.449 640 L N 0.456 121.425 121.223 -0.423 0.000 2.191 640 L HA -0.075 4.263 4.340 -0.003 0.000 0.212 640 L C 2.178 178.523 176.870 -0.874 0.000 1.103 640 L CA 1.505 56.009 54.840 -0.560 0.000 0.769 640 L CB -0.696 40.995 42.059 -0.613 0.000 0.908 640 L HN 0.487 nan 8.230 nan 0.000 0.438 641 G N -1.500 106.775 108.800 -0.875 0.000 3.284 641 G HA2 -0.027 3.931 3.960 -0.003 0.000 0.236 641 G HA3 -0.027 3.931 3.960 -0.003 0.000 0.236 641 G C 1.454 176.179 174.900 -0.292 0.000 1.158 641 G CA 0.545 45.216 45.100 -0.715 0.000 0.774 641 G HN 0.419 nan 8.290 nan 0.000 0.545 642 S N -0.718 114.843 115.700 -0.231 0.000 2.496 642 S HA 0.300 4.768 4.470 -0.003 0.000 0.224 642 S C 1.947 176.500 174.600 -0.079 0.000 0.996 642 S CA 1.025 59.155 58.200 -0.116 0.000 0.927 642 S CB -0.080 63.074 63.200 -0.077 0.000 0.774 642 S HN 1.353 nan 8.310 nan 0.000 0.524 643 G N 1.382 110.125 108.800 -0.095 0.000 2.136 643 G HA2 -0.345 3.613 3.960 -0.003 0.000 0.242 643 G HA3 -0.345 3.613 3.960 -0.003 0.000 0.242 643 G C 0.989 175.875 174.900 -0.024 0.000 0.989 643 G CA 0.948 46.014 45.100 -0.055 0.000 0.682 643 G HN 1.277 nan 8.290 nan 0.000 0.522 644 S N -0.371 115.327 115.700 -0.004 0.000 2.419 644 S HA 0.257 4.725 4.470 -0.003 0.000 0.233 644 S C 2.673 177.273 174.600 0.001 0.000 1.016 644 S CA 1.842 60.050 58.200 0.015 0.000 0.974 644 S CB -0.375 62.865 63.200 0.067 0.000 0.786 644 S HN 2.450 nan 8.310 nan 0.000 0.492 645 G N -0.053 108.754 108.800 0.012 0.000 2.220 645 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.269 645 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.269 645 G C 0.858 175.737 174.900 -0.036 0.000 0.977 645 G CA 0.523 45.621 45.100 -0.003 0.000 0.634 645 G HN 0.767 nan 8.290 nan 0.000 0.539 646 V N -0.338 119.526 119.914 -0.082 0.000 2.453 646 V HA 0.195 4.313 4.120 -0.003 0.000 0.247 646 V C 1.350 177.182 176.094 -0.436 0.000 1.048 646 V CA 1.637 63.749 62.300 -0.313 0.000 1.049 646 V CB -0.433 31.073 31.823 -0.529 0.000 0.672 646 V HN 0.322 nan 8.190 nan 0.000 0.457 647 F N -0.195 119.770 119.950 0.025 0.000 2.422 647 F HA 0.393 4.918 4.527 -0.003 0.000 0.333 647 F C 1.138 176.983 175.800 0.074 0.000 1.095 647 F CA -0.478 57.563 58.000 0.069 0.000 1.038 647 F CB 1.358 40.399 39.000 0.069 0.000 1.156 647 F HN -0.264 nan 8.300 nan 0.000 0.483 648 K N 1.347 121.912 120.400 0.275 0.000 2.128 648 K HA 0.111 4.429 4.320 -0.003 0.000 0.202 648 K C -0.060 176.665 176.600 0.208 0.000 1.050 648 K CA 0.911 57.319 56.287 0.202 0.000 0.966 648 K CB 0.265 32.884 32.500 0.199 0.000 0.759 648 K HN 0.808 nan 8.250 nan 0.000 0.454 649 c N -2.675 116.078 118.600 0.256 0.000 3.332 649 c HA 0.911 5.479 4.570 -0.003 0.000 0.329 649 c C -0.219 174.085 174.090 0.356 0.000 1.434 649 c CA -0.597 55.905 56.329 0.289 0.000 1.314 649 c CB 1.097 43.708 42.510 0.168 0.000 1.664 649 c HN 0.367 nan 8.230 nan 0.000 0.457 650 G N -0.107 108.977 108.800 0.473 0.000 2.632 650 G HA2 0.686 4.644 3.960 -0.003 0.000 0.292 650 G HA3 0.686 4.644 3.960 -0.003 0.000 0.292 650 G C -1.994 173.151 174.900 0.409 0.000 1.465 650 G CA -0.673 44.679 45.100 0.419 0.000 0.824 650 G HN 0.988 nan 8.290 nan 0.000 0.509 651 I N 0.998 121.781 120.570 0.355 0.000 2.418 651 I HA 0.596 4.764 4.170 -0.003 0.000 0.287 651 I C 0.250 176.507 176.117 0.234 0.000 1.008 651 I CA -0.911 60.497 61.300 0.179 0.000 1.104 651 I CB 2.127 40.237 38.000 0.183 0.000 1.264 651 I HN 0.638 nan 8.210 nan 0.000 0.438 652 A N 6.651 129.499 122.820 0.046 0.000 2.287 652 A HA 0.782 5.100 4.320 -0.003 0.000 0.317 652 A C -0.666 176.842 177.584 -0.126 0.000 1.220 652 A CA -0.498 51.566 52.037 0.045 0.000 0.835 652 A CB 1.081 20.162 19.000 0.134 0.000 1.180 652 A HN 0.453 nan 8.150 nan 0.000 0.500 653 V N 2.105 121.901 119.914 -0.196 0.000 2.417 653 V HA 0.578 4.696 4.120 -0.003 0.000 0.291 653 V C 0.905 176.611 176.094 -0.647 0.000 1.024 653 V CA 0.305 62.276 62.300 -0.549 0.000 0.861 653 V CB 0.931 32.147 31.823 -1.013 0.000 0.985 653 V HN 2.083 nan 8.190 nan 0.000 0.436 654 A N 5.552 127.953 122.820 -0.699 0.000 2.415 654 A HA -0.104 4.214 4.320 -0.003 0.000 0.292 654 A C -1.810 175.596 177.584 -0.298 0.000 1.452 654 A CA 0.499 52.020 52.037 -0.859 0.000 0.750 654 A CB -1.541 17.125 19.000 -0.556 0.000 1.099 654 A HN 0.606 nan 8.150 nan 0.000 0.391 655 P HA 0.470 nan 4.420 nan 0.000 0.279 655 P C 0.113 177.374 177.300 -0.066 0.000 1.252 655 P CA -0.345 62.723 63.100 -0.053 0.000 0.811 655 P CB 1.445 33.139 31.700 -0.009 0.000 1.035 656 V N 1.825 121.602 119.914 -0.229 0.000 2.732 656 V HA 0.130 4.248 4.120 -0.003 0.000 0.297 656 V C 1.635 177.516 176.094 -0.355 0.000 1.060 656 V CA 0.819 62.834 62.300 -0.475 0.000 1.038 656 V CB 0.943 32.098 31.823 -1.114 0.000 1.003 656 V HN 0.853 nan 8.190 nan 0.000 0.481 657 S N 3.242 118.752 115.700 -0.316 0.000 2.593 657 S HA 0.254 4.722 4.470 -0.003 0.000 0.235 657 S C 0.409 174.823 174.600 -0.309 0.000 1.059 657 S CA -0.335 57.758 58.200 -0.177 0.000 0.953 657 S CB 0.329 63.495 63.200 -0.056 0.000 0.897 657 S HN 0.838 nan 8.310 nan 0.000 0.507 658 R N -1.021 119.167 120.500 -0.520 0.000 2.515 658 R HA 0.462 4.800 4.340 -0.003 0.000 0.278 658 R C -0.878 175.078 176.300 -0.574 0.000 1.107 658 R CA -0.805 54.948 56.100 -0.578 0.000 0.945 658 R CB -0.209 29.671 30.300 -0.699 0.000 1.219 658 R HN 0.120 nan 8.270 nan 0.000 0.434 659 W N 1.670 122.879 121.300 -0.153 0.000 2.364 659 W HA -0.064 4.593 4.660 -0.003 0.000 0.281 659 W C 1.176 177.822 176.519 0.211 0.000 1.219 659 W CA 1.049 58.400 57.345 0.011 0.000 1.220 659 W CB 0.231 29.637 29.460 -0.090 0.000 1.127 659 W HN 0.729 nan 8.180 nan 0.000 0.556 660 E N -1.023 119.348 120.200 0.285 0.000 2.401 660 E HA -0.196 4.152 4.350 -0.003 0.000 0.199 660 E C 1.291 178.030 176.600 0.232 0.000 1.023 660 E CA 0.777 57.288 56.400 0.185 0.000 0.859 660 E CB -0.208 29.492 29.700 0.001 0.000 0.780 660 E HN 0.379 nan 8.360 nan 0.000 0.523 661 Y N -1.550 118.834 120.300 0.139 0.000 2.517 661 Y HA 0.050 4.598 4.550 -0.003 0.000 0.281 661 Y C 0.756 176.748 175.900 0.154 0.000 1.125 661 Y CA -0.302 57.851 58.100 0.089 0.000 1.283 661 Y CB -0.446 38.011 38.460 -0.004 0.000 1.042 661 Y HN 0.018 nan 8.280 nan 0.000 0.547 662 Y N 2.011 122.460 120.300 0.249 0.000 2.340 662 Y HA 0.265 4.813 4.550 -0.003 0.000 0.327 662 Y C 0.427 176.554 175.900 0.379 0.000 1.321 662 Y CA -1.903 56.358 58.100 0.268 0.000 1.433 662 Y CB 0.300 38.955 38.460 0.324 0.000 1.373 662 Y HN 0.200 nan 8.280 nan 0.000 0.538 663 D N -0.681 119.398 120.400 -0.535 0.000 2.357 663 D HA 0.109 4.747 4.640 -0.003 0.000 0.242 663 D C 0.947 177.255 176.300 0.012 0.000 1.153 663 D CA 0.322 54.144 54.000 -0.297 0.000 0.918 663 D CB 0.897 41.283 40.800 -0.689 0.000 1.181 663 D HN 0.473 nan 8.370 nan 0.000 0.435 664 S N 0.954 116.662 115.700 0.014 0.000 2.348 664 S HA -0.217 4.251 4.470 -0.003 0.000 0.221 664 S C 1.929 176.569 174.600 0.068 0.000 1.033 664 S CA 1.181 59.435 58.200 0.090 0.000 1.010 664 S CB -1.022 62.231 63.200 0.089 0.000 0.891 664 S HN 0.428 nan 8.310 nan 0.000 0.442 665 V N 0.873 120.765 119.914 -0.035 0.000 2.287 665 V HA -0.179 3.939 4.120 -0.003 0.000 0.248 665 V C 2.327 178.351 176.094 -0.116 0.000 1.053 665 V CA 2.284 64.474 62.300 -0.183 0.000 1.027 665 V CB -1.106 30.445 31.823 -0.453 0.000 0.646 665 V HN 0.619 nan 8.190 nan 0.000 0.447 666 Y N 1.358 121.621 120.300 -0.061 0.000 2.153 666 Y HA -0.203 4.345 4.550 -0.003 0.000 0.289 666 Y C 2.733 178.651 175.900 0.029 0.000 1.127 666 Y CA 2.253 60.388 58.100 0.059 0.000 1.131 666 Y CB -0.636 38.073 38.460 0.415 0.000 0.995 666 Y HN 0.223 nan 8.280 nan 0.000 0.505 667 T N 0.400 115.218 114.554 0.440 0.000 2.684 667 T HA -0.205 4.143 4.350 -0.003 0.000 0.267 667 T C 1.533 176.223 174.700 -0.016 0.000 1.036 667 T CA 1.972 64.237 62.100 0.276 0.000 1.148 667 T CB -0.316 68.863 68.868 0.518 0.000 0.863 667 T HN 0.445 nan 8.240 nan 0.000 0.436 668 E N 0.456 120.667 120.200 0.019 0.000 2.268 668 E HA -0.048 4.300 4.350 -0.003 0.000 0.195 668 E C 2.312 178.791 176.600 -0.202 0.000 0.995 668 E CA 0.325 56.722 56.400 -0.005 0.000 0.836 668 E CB -0.090 29.654 29.700 0.074 0.000 0.763 668 E HN 0.331 nan 8.360 nan 0.000 0.491 669 R N 0.041 120.252 120.500 -0.481 0.000 2.105 669 R HA -0.188 4.150 4.340 -0.003 0.000 0.239 669 R C 1.184 176.955 176.300 -0.882 0.000 1.135 669 R CA 1.601 57.223 56.100 -0.796 0.000 0.967 669 R CB 0.015 29.481 30.300 -1.391 0.000 0.861 669 R HN 0.233 nan 8.270 nan 0.000 0.442 670 Y N -2.309 117.671 120.300 -0.534 0.000 2.524 670 Y HA 0.230 4.777 4.550 -0.003 0.000 0.270 670 Y C 1.666 177.383 175.900 -0.306 0.000 1.094 670 Y CA 0.018 57.814 58.100 -0.508 0.000 1.276 670 Y CB 0.401 38.429 38.460 -0.720 0.000 1.130 670 Y HN -0.047 nan 8.280 nan 0.000 0.536 671 M N -0.253 119.239 119.600 -0.179 0.000 2.333 671 M HA 0.360 4.838 4.480 -0.003 0.000 0.257 671 M C 1.068 177.379 176.300 0.018 0.000 1.078 671 M CA 0.753 55.944 55.300 -0.182 0.000 1.005 671 M CB -0.346 31.943 32.600 -0.519 0.000 1.444 671 M HN 0.359 nan 8.290 nan 0.000 0.496 672 G N 1.975 110.802 108.800 0.045 0.000 2.601 672 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.252 672 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.252 672 G C -0.480 174.555 174.900 0.226 0.000 1.294 672 G CA -0.703 44.462 45.100 0.109 0.000 0.912 672 G HN 0.364 nan 8.290 nan 0.000 0.574 673 L N 2.074 123.403 121.223 0.177 0.000 2.325 673 L HA 0.430 4.768 4.340 -0.003 0.000 0.279 673 L C -1.452 175.444 176.870 0.042 0.000 1.054 673 L CA -1.796 53.113 54.840 0.115 0.000 0.804 673 L CB 1.938 44.021 42.059 0.040 0.000 1.200 673 L HN 0.448 nan 8.230 nan 0.000 0.436 674 P HA 0.057 nan 4.420 nan 0.000 0.226 674 P C -0.553 176.605 177.300 -0.237 0.000 1.783 674 P CA -0.067 62.637 63.100 -0.659 0.000 0.980 674 P CB -0.407 30.546 31.700 -1.246 0.000 1.967 675 T N -2.408 112.099 114.554 -0.079 0.000 2.907 675 T HA 0.458 4.806 4.350 -0.003 0.000 0.292 675 T C -2.026 172.676 174.700 0.004 0.000 1.043 675 T CA -2.395 59.683 62.100 -0.037 0.000 1.003 675 T CB 2.089 70.944 68.868 -0.022 0.000 1.084 675 T HN -0.197 nan 8.240 nan 0.000 0.483 676 P HA -0.102 nan 4.420 nan 0.000 0.218 676 P C 0.680 177.995 177.300 0.025 0.000 1.148 676 P CA 1.274 64.385 63.100 0.019 0.000 0.822 676 P CB 0.155 31.861 31.700 0.011 0.000 0.784 677 E N -0.959 119.251 120.200 0.018 0.000 2.427 677 E HA -0.051 4.297 4.350 -0.003 0.000 0.196 677 E C 1.451 178.068 176.600 0.029 0.000 1.028 677 E CA 0.612 57.023 56.400 0.019 0.000 0.864 677 E CB -0.323 29.384 29.700 0.011 0.000 0.813 677 E HN 0.329 nan 8.360 nan 0.000 0.514 678 D N -0.572 119.852 120.400 0.041 0.000 3.066 678 D HA 0.071 4.709 4.640 -0.003 0.000 0.225 678 D C 0.216 176.572 176.300 0.094 0.000 1.397 678 D CA 0.105 54.141 54.000 0.060 0.000 1.344 678 D CB 0.055 40.894 40.800 0.065 0.000 0.934 678 D HN -0.049 nan 8.370 nan 0.000 0.202 679 N N 0.085 118.876 118.700 0.152 0.000 2.299 679 N HA 0.090 4.828 4.740 -0.003 0.000 0.246 679 N C 1.034 176.742 175.510 0.329 0.000 1.254 679 N CA -0.102 53.082 53.050 0.223 0.000 0.879 679 N CB 0.195 38.826 38.487 0.240 0.000 1.214 679 N HN 0.096 nan 8.380 nan 0.000 0.510 680 L N 0.519 121.862 121.223 0.199 0.000 2.043 680 L HA -0.137 4.201 4.340 -0.003 0.000 0.212 680 L C 1.182 178.164 176.870 0.187 0.000 1.075 680 L CA 2.004 56.935 54.840 0.152 0.000 0.752 680 L CB -0.436 41.643 42.059 0.034 0.000 0.891 680 L HN 0.136 nan 8.230 nan 0.000 0.432 681 D N -1.502 118.986 120.400 0.147 0.000 2.104 681 D HA -0.256 4.382 4.640 -0.003 0.000 0.194 681 D C 2.102 178.489 176.300 0.145 0.000 0.994 681 D CA 1.768 55.841 54.000 0.122 0.000 0.830 681 D CB -0.237 40.623 40.800 0.100 0.000 0.959 681 D HN 0.586 nan 8.370 nan 0.000 0.452 682 H N -0.877 118.256 119.070 0.106 0.000 2.428 682 H HA -0.073 4.481 4.556 -0.003 0.000 0.296 682 H C 1.721 177.112 175.328 0.105 0.000 1.062 682 H CA 1.228 57.315 56.048 0.066 0.000 1.350 682 H CB -0.325 29.438 29.762 0.002 0.000 1.403 682 H HN 0.153 nan 8.280 nan 0.000 0.533 683 Y N 0.345 120.622 120.300 -0.038 0.000 2.128 683 Y HA -0.186 4.362 4.550 -0.003 0.000 0.284 683 Y C 2.350 178.210 175.900 -0.067 0.000 1.154 683 Y CA 1.579 59.666 58.100 -0.022 0.000 1.149 683 Y CB 0.118 38.602 38.460 0.040 0.000 0.976 683 Y HN 0.126 nan 8.280 nan 0.000 0.505 684 R N -0.292 120.278 120.500 0.117 0.000 2.236 684 R HA -0.065 4.273 4.340 -0.003 0.000 0.208 684 R C 1.430 177.721 176.300 -0.014 0.000 1.036 684 R CA 0.678 56.799 56.100 0.036 0.000 1.001 684 R CB -0.787 29.535 30.300 0.036 0.000 0.896 684 R HN 0.514 nan 8.270 nan 0.000 0.464 685 N N 0.570 119.237 118.700 -0.055 0.000 2.373 685 N HA -0.053 4.685 4.740 -0.003 0.000 0.181 685 N C 0.197 175.649 175.510 -0.097 0.000 1.082 685 N CA 0.368 53.383 53.050 -0.058 0.000 0.885 685 N CB 0.384 38.864 38.487 -0.012 0.000 0.977 685 N HN 0.078 nan 8.380 nan 0.000 0.462 686 S N -0.104 115.492 115.700 -0.173 0.000 2.561 686 S HA 0.065 4.533 4.470 -0.003 0.000 0.245 686 S C 0.444 175.085 174.600 0.069 0.000 1.001 686 S CA -0.767 57.395 58.200 -0.062 0.000 1.002 686 S CB -0.084 63.030 63.200 -0.144 0.000 0.805 686 S HN 0.153 nan 8.310 nan 0.000 0.458 687 T N -1.711 112.840 114.554 -0.004 0.000 2.922 687 T HA 0.518 4.866 4.350 -0.003 0.000 0.285 687 T C 1.277 175.972 174.700 -0.009 0.000 1.005 687 T CA -0.657 61.426 62.100 -0.027 0.000 1.061 687 T CB 1.392 70.209 68.868 -0.084 0.000 1.007 687 T HN -0.044 nan 8.240 nan 0.000 0.502 688 V N 1.907 121.814 119.914 -0.011 0.000 2.453 688 V HA -0.119 3.999 4.120 -0.003 0.000 0.247 688 V C 2.617 178.689 176.094 -0.035 0.000 1.048 688 V CA 1.600 63.890 62.300 -0.017 0.000 1.049 688 V CB -0.936 30.873 31.823 -0.022 0.000 0.672 688 V HN 0.825 nan 8.190 nan 0.000 0.457 689 M N 1.179 120.739 119.600 -0.067 0.000 2.144 689 M HA -0.170 4.308 4.480 -0.003 0.000 0.260 689 M C 2.308 178.582 176.300 -0.043 0.000 1.067 689 M CA 2.190 57.443 55.300 -0.077 0.000 1.095 689 M CB -0.999 31.562 32.600 -0.065 0.000 1.365 689 M HN 0.526 nan 8.290 nan 0.000 0.406 690 S N -0.541 115.144 115.700 -0.025 0.000 2.547 690 S HA -0.067 4.401 4.470 -0.003 0.000 0.235 690 S C 1.662 176.268 174.600 0.010 0.000 0.980 690 S CA 0.666 58.861 58.200 -0.009 0.000 0.941 690 S CB -0.416 62.778 63.200 -0.010 0.000 0.763 690 S HN 0.522 nan 8.310 nan 0.000 0.532 691 R N 0.280 120.800 120.500 0.034 0.000 2.468 691 R HA 0.498 4.836 4.340 -0.003 0.000 0.280 691 R C 2.053 178.460 176.300 0.179 0.000 0.963 691 R CA 0.430 56.575 56.100 0.075 0.000 1.083 691 R CB -0.152 30.183 30.300 0.058 0.000 1.200 691 R HN 0.421 nan 8.270 nan 0.000 0.541 692 A N 1.508 124.386 122.820 0.097 0.000 1.903 692 A HA -0.307 4.011 4.320 -0.003 0.000 0.219 692 A C 2.052 179.727 177.584 0.151 0.000 1.191 692 A CA 2.082 54.153 52.037 0.056 0.000 0.638 692 A CB -0.297 18.659 19.000 -0.073 0.000 0.823 692 A HN 0.318 nan 8.150 nan 0.000 0.451 693 E N 0.637 120.892 120.200 0.093 0.000 2.118 693 E HA -0.191 4.157 4.350 -0.003 0.000 0.195 693 E C 1.592 178.245 176.600 0.090 0.000 0.992 693 E CA 1.706 58.153 56.400 0.078 0.000 0.804 693 E CB -0.303 29.424 29.700 0.045 0.000 0.741 693 E HN 0.598 nan 8.360 nan 0.000 0.458 694 N N -0.455 118.291 118.700 0.076 0.000 2.453 694 N HA -0.105 4.633 4.740 -0.003 0.000 0.183 694 N C 0.928 176.412 175.510 -0.043 0.000 1.041 694 N CA 0.554 53.600 53.050 -0.007 0.000 0.900 694 N CB -0.267 38.169 38.487 -0.086 0.000 0.961 694 N HN 0.254 nan 8.380 nan 0.000 0.443 695 F N 1.298 121.201 119.950 -0.079 0.000 2.641 695 F HA 0.020 4.545 4.527 -0.003 0.000 0.298 695 F C 1.953 177.749 175.800 -0.006 0.000 1.146 695 F CA 0.607 58.551 58.000 -0.092 0.000 1.464 695 F CB 0.130 39.022 39.000 -0.180 0.000 1.101 695 F HN -0.055 nan 8.300 nan 0.000 0.585 696 K N -0.073 120.420 120.400 0.156 0.000 2.283 696 K HA -0.152 4.166 4.320 -0.003 0.000 0.202 696 K C 1.601 178.258 176.600 0.094 0.000 1.048 696 K CA 0.905 57.267 56.287 0.126 0.000 0.948 696 K CB -0.124 32.432 32.500 0.093 0.000 0.742 696 K HN 0.400 nan 8.250 nan 0.000 0.458 697 Q N 0.223 120.056 119.800 0.055 0.000 2.451 697 Q HA 0.009 4.347 4.340 -0.003 0.000 0.206 697 Q C 0.408 176.440 176.000 0.055 0.000 0.947 697 Q CA 0.205 56.031 55.803 0.038 0.000 0.937 697 Q CB 0.530 29.270 28.738 0.003 0.000 1.025 697 Q HN 0.141 nan 8.270 nan 0.000 0.511 698 V N -3.533 116.426 119.914 0.076 0.000 3.160 698 V HA 0.469 4.587 4.120 -0.003 0.000 0.310 698 V C -1.254 174.974 176.094 0.223 0.000 1.181 698 V CA -1.282 61.090 62.300 0.121 0.000 1.047 698 V CB 2.324 34.184 31.823 0.063 0.000 1.068 698 V HN -0.075 nan 8.190 nan 0.000 0.441 699 E N 1.128 121.493 120.200 0.274 0.000 2.174 699 E HA 0.479 4.827 4.350 -0.003 0.000 0.282 699 E C -1.941 175.031 176.600 0.620 0.000 0.992 699 E CA -0.365 56.277 56.400 0.404 0.000 0.803 699 E CB 1.849 31.721 29.700 0.287 0.000 1.090 699 E HN 0.684 nan 8.360 nan 0.000 0.396 700 Y N 3.344 123.911 120.300 0.446 0.000 2.425 700 Y HA 0.457 5.005 4.550 -0.003 0.000 0.344 700 Y C -1.737 174.214 175.900 0.086 0.000 0.969 700 Y CA -1.398 56.889 58.100 0.311 0.000 1.052 700 Y CB 1.145 39.820 38.460 0.358 0.000 1.215 700 Y HN 0.411 nan 8.280 nan 0.000 0.451 701 L N 7.619 128.553 121.223 -0.481 0.000 2.343 701 L HA 0.619 4.957 4.340 -0.003 0.000 0.278 701 L C -2.239 174.190 176.870 -0.735 0.000 0.996 701 L CA -0.808 53.599 54.840 -0.721 0.000 0.831 701 L CB 1.321 42.645 42.059 -1.225 0.000 1.232 701 L HN 0.655 nan 8.230 nan 0.000 0.413 702 L N 6.514 127.386 121.223 -0.585 0.000 2.313 702 L HA 0.723 5.061 4.340 -0.003 0.000 0.283 702 L C -1.167 175.579 176.870 -0.208 0.000 1.013 702 L CA -0.025 54.517 54.840 -0.497 0.000 0.816 702 L CB 1.286 43.076 42.059 -0.449 0.000 1.236 702 L HN 0.607 nan 8.230 nan 0.000 0.419 703 I N 4.334 124.797 120.570 -0.178 0.000 2.647 703 I HA 0.473 4.641 4.170 -0.003 0.000 0.295 703 I C -1.226 174.879 176.117 -0.021 0.000 1.078 703 I CA -0.708 60.545 61.300 -0.077 0.000 1.048 703 I CB 2.149 40.069 38.000 -0.133 0.000 1.239 703 I HN 0.689 nan 8.210 nan 0.000 0.421 704 H N 2.050 121.173 119.070 0.087 0.000 3.085 704 H HA 0.485 5.039 4.556 -0.003 0.000 0.356 704 H C -0.434 175.120 175.328 0.377 0.000 1.178 704 H CA -0.610 55.536 56.048 0.164 0.000 1.214 704 H CB 2.030 31.834 29.762 0.069 0.000 1.881 704 H HN 0.748 nan 8.280 nan 0.000 0.538 705 G N 0.838 109.987 108.800 0.582 0.000 2.390 705 G HA2 0.221 4.179 3.960 -0.003 0.000 0.270 705 G HA3 0.221 4.179 3.960 -0.003 0.000 0.270 705 G C 1.132 176.311 174.900 0.464 0.000 1.211 705 G CA 0.124 45.517 45.100 0.488 0.000 0.842 705 G HN 0.744 nan 8.290 nan 0.000 0.519 706 T N -0.751 113.930 114.554 0.211 0.000 3.035 706 T HA 0.091 4.439 4.350 -0.003 0.000 0.268 706 T C 1.644 176.332 174.700 -0.020 0.000 1.109 706 T CA 1.258 63.299 62.100 -0.098 0.000 1.119 706 T CB 0.163 68.892 68.868 -0.233 0.000 0.900 706 T HN 0.690 nan 8.240 nan 0.000 0.503 707 A N 1.040 123.925 122.820 0.109 0.000 2.708 707 A HA 0.320 4.638 4.320 -0.003 0.000 0.293 707 A C 0.353 177.921 177.584 -0.026 0.000 1.303 707 A CA -0.520 51.566 52.037 0.081 0.000 0.949 707 A CB -0.277 19.033 19.000 0.516 0.000 1.121 707 A HN 0.374 nan 8.150 nan 0.000 0.542 708 D N 1.547 121.939 120.400 -0.012 0.000 2.344 708 D HA -0.000 4.638 4.640 -0.003 0.000 0.253 708 D C 0.386 176.646 176.300 -0.067 0.000 1.255 708 D CA 0.079 54.163 54.000 0.140 0.000 0.894 708 D CB 0.672 41.702 40.800 0.384 0.000 1.067 708 D HN 0.568 nan 8.370 nan 0.000 0.492 709 D N 2.425 122.843 120.400 0.030 0.000 2.347 709 D HA -0.145 4.493 4.640 -0.003 0.000 0.213 709 D C 0.970 177.241 176.300 -0.048 0.000 0.985 709 D CA -0.030 53.950 54.000 -0.033 0.000 0.879 709 D CB 0.440 41.197 40.800 -0.073 0.000 0.919 709 D HN 0.229 nan 8.370 nan 0.000 0.526 710 N N 0.895 119.651 118.700 0.092 0.000 2.335 710 N HA -0.051 4.687 4.740 -0.003 0.000 0.197 710 N C -0.032 175.373 175.510 -0.175 0.000 1.045 710 N CA 0.497 53.628 53.050 0.135 0.000 0.928 710 N CB 0.314 38.905 38.487 0.173 0.000 1.118 710 N HN -0.097 nan 8.380 nan 0.000 0.471 711 V N 3.893 123.703 119.914 -0.174 0.000 2.320 711 V HA 0.171 4.289 4.120 -0.003 0.000 0.265 711 V C -0.530 175.552 176.094 -0.019 0.000 1.048 711 V CA -0.626 61.615 62.300 -0.098 0.000 0.865 711 V CB 0.057 31.863 31.823 -0.028 0.000 1.043 711 V HN 0.316 nan 8.190 nan 0.000 0.474 712 H N 3.655 122.687 119.070 -0.064 0.000 2.897 712 H HA -0.007 4.547 4.556 -0.003 0.000 0.347 712 H C 0.881 176.045 175.328 -0.274 0.000 1.068 712 H CA -0.192 55.740 56.048 -0.193 0.000 1.426 712 H CB 0.536 30.105 29.762 -0.321 0.000 1.410 712 H HN 0.639 nan 8.280 nan 0.000 0.597 713 F N 2.033 121.762 119.950 -0.369 0.000 2.236 713 F HA -0.278 4.248 4.527 -0.003 0.000 0.302 713 F C 2.543 178.055 175.800 -0.480 0.000 1.073 713 F CA 1.804 59.377 58.000 -0.712 0.000 1.336 713 F CB -0.069 38.709 39.000 -0.371 0.000 1.040 713 F HN 0.650 nan 8.300 nan 0.000 0.507 714 Q N 0.186 119.836 119.800 -0.250 0.000 2.173 714 Q HA -0.306 4.032 4.340 -0.003 0.000 0.208 714 Q C 2.052 177.822 176.000 -0.383 0.000 0.989 714 Q CA 2.230 57.843 55.803 -0.318 0.000 0.872 714 Q CB -0.321 28.197 28.738 -0.366 0.000 0.909 714 Q HN 0.599 nan 8.270 nan 0.000 0.420 715 Q N -0.340 119.284 119.800 -0.293 0.000 2.084 715 Q HA -0.116 4.222 4.340 -0.003 0.000 0.202 715 Q C 2.218 178.121 176.000 -0.162 0.000 0.978 715 Q CA 1.721 57.472 55.803 -0.086 0.000 0.844 715 Q CB -0.079 28.673 28.738 0.023 0.000 0.898 715 Q HN 0.325 nan 8.270 nan 0.000 0.426 716 S N 0.606 116.094 115.700 -0.352 0.000 2.436 716 S HA 0.030 4.498 4.470 -0.003 0.000 0.228 716 S C 2.005 176.352 174.600 -0.422 0.000 1.014 716 S CA 0.629 58.627 58.200 -0.335 0.000 0.950 716 S CB -0.020 62.986 63.200 -0.322 0.000 0.784 716 S HN 0.450 nan 8.310 nan 0.000 0.504 717 A N 1.353 123.824 122.820 -0.582 0.000 1.933 717 A HA -0.118 4.200 4.320 -0.003 0.000 0.218 717 A C 2.115 179.595 177.584 -0.173 0.000 1.175 717 A CA 1.099 52.928 52.037 -0.346 0.000 0.628 717 A CB -0.347 18.506 19.000 -0.245 0.000 0.814 717 A HN 0.350 nan 8.150 nan 0.000 0.444 718 Q N -0.582 119.128 119.800 -0.149 0.000 2.245 718 Q HA 0.053 4.391 4.340 -0.003 0.000 0.201 718 Q C 2.079 178.027 176.000 -0.086 0.000 0.955 718 Q CA 0.815 56.584 55.803 -0.056 0.000 0.870 718 Q CB -0.229 28.556 28.738 0.079 0.000 0.945 718 Q HN 0.778 nan 8.270 nan 0.000 0.461 719 I N 1.084 121.574 120.570 -0.133 0.000 2.163 719 I HA -0.270 3.898 4.170 -0.003 0.000 0.240 719 I C 2.546 178.499 176.117 -0.273 0.000 1.081 719 I CA 1.434 62.612 61.300 -0.204 0.000 1.353 719 I CB -0.418 37.464 38.000 -0.197 0.000 1.054 719 I HN 0.174 nan 8.210 nan 0.000 0.407 720 S N 0.965 116.533 115.700 -0.220 0.000 2.370 720 S HA -0.291 4.177 4.470 -0.003 0.000 0.226 720 S C 2.043 176.620 174.600 -0.038 0.000 1.033 720 S CA 1.552 59.665 58.200 -0.146 0.000 1.011 720 S CB -0.486 62.788 63.200 0.122 0.000 0.852 720 S HN 0.366 nan 8.310 nan 0.000 0.457 721 K N 1.692 122.071 120.400 -0.035 0.000 2.057 721 K HA 0.017 4.335 4.320 -0.003 0.000 0.207 721 K C 2.282 178.864 176.600 -0.030 0.000 1.049 721 K CA 1.176 57.459 56.287 -0.008 0.000 0.931 721 K CB -0.679 31.812 32.500 -0.014 0.000 0.714 721 K HN 0.463 nan 8.250 nan 0.000 0.440 722 A N 0.935 123.707 122.820 -0.080 0.000 1.930 722 A HA -0.093 4.225 4.320 -0.003 0.000 0.217 722 A C 2.070 179.590 177.584 -0.107 0.000 1.175 722 A CA 1.207 53.191 52.037 -0.089 0.000 0.627 722 A CB -0.526 18.404 19.000 -0.117 0.000 0.815 722 A HN 0.313 nan 8.150 nan 0.000 0.443 723 L N -0.669 120.442 121.223 -0.187 0.000 2.056 723 L HA -0.132 4.206 4.340 -0.003 0.000 0.207 723 L C 2.502 179.391 176.870 0.032 0.000 1.078 723 L CA 0.905 55.639 54.840 -0.176 0.000 0.749 723 L CB -0.544 41.224 42.059 -0.486 0.000 0.901 723 L HN 0.233 nan 8.230 nan 0.000 0.433 724 V N -0.176 119.796 119.914 0.097 0.000 2.343 724 V HA -0.286 3.832 4.120 -0.003 0.000 0.247 724 V C 2.019 178.153 176.094 0.066 0.000 1.051 724 V CA 1.847 64.225 62.300 0.130 0.000 1.036 724 V CB -0.529 31.368 31.823 0.124 0.000 0.654 724 V HN 0.427 nan 8.190 nan 0.000 0.451 725 D N 0.360 120.780 120.400 0.033 0.000 2.218 725 D HA -0.108 4.530 4.640 -0.003 0.000 0.204 725 D C 1.767 178.081 176.300 0.024 0.000 0.976 725 D CA 1.675 55.688 54.000 0.022 0.000 0.853 725 D CB -0.112 40.692 40.800 0.007 0.000 0.939 725 D HN 0.564 nan 8.370 nan 0.000 0.481 726 V N -3.632 116.296 119.914 0.024 0.000 3.542 726 V HA 0.493 4.611 4.120 -0.003 0.000 0.296 726 V C 1.175 177.299 176.094 0.050 0.000 1.364 726 V CA 0.202 62.520 62.300 0.031 0.000 1.118 726 V CB -0.159 31.679 31.823 0.025 0.000 0.972 726 V HN 0.133 nan 8.190 nan 0.000 0.430 727 G N 0.599 109.437 108.800 0.063 0.000 2.298 727 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.287 727 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.287 727 G C -0.154 174.809 174.900 0.105 0.000 1.075 727 G CA 0.275 45.422 45.100 0.078 0.000 0.960 727 G HN 0.861 nan 8.290 nan 0.000 0.502 728 V N 0.365 120.363 119.914 0.141 0.000 2.398 728 V HA 0.477 4.595 4.120 -0.003 0.000 0.286 728 V C 0.340 176.622 176.094 0.314 0.000 1.026 728 V CA -0.613 61.802 62.300 0.191 0.000 0.868 728 V CB 1.813 33.731 31.823 0.160 0.000 0.982 728 V HN 0.463 nan 8.190 nan 0.000 0.443 729 D N 3.905 124.463 120.400 0.265 0.000 2.264 729 D HA 0.634 5.272 4.640 -0.003 0.000 0.249 729 D C -0.614 175.927 176.300 0.401 0.000 1.070 729 D CA 0.146 54.290 54.000 0.241 0.000 0.912 729 D CB 0.879 41.753 40.800 0.123 0.000 1.193 729 D HN 0.355 nan 8.370 nan 0.000 0.427 730 F N -0.340 119.686 119.950 0.127 0.000 2.779 730 F HA 0.460 4.985 4.527 -0.003 0.000 0.316 730 F C -1.475 174.380 175.800 0.092 0.000 1.164 730 F CA -1.139 56.958 58.000 0.162 0.000 0.924 730 F CB 0.712 39.843 39.000 0.218 0.000 1.348 730 F HN 0.080 nan 8.300 nan 0.000 0.467 731 Q N 1.309 121.190 119.800 0.135 0.000 2.235 731 Q HA 0.811 5.149 4.340 -0.003 0.000 0.256 731 Q C -0.831 175.157 176.000 -0.019 0.000 0.951 731 Q CA -0.723 55.061 55.803 -0.031 0.000 0.890 731 Q CB 2.086 30.813 28.738 -0.019 0.000 1.279 731 Q HN 1.039 nan 8.270 nan 0.000 0.444 732 A N 1.867 124.646 122.820 -0.068 0.000 2.556 732 A HA 0.844 5.162 4.320 -0.003 0.000 0.294 732 A C -1.374 176.158 177.584 -0.087 0.000 1.091 732 A CA -0.579 51.452 52.037 -0.010 0.000 0.704 732 A CB 1.984 21.040 19.000 0.093 0.000 1.300 732 A HN 0.615 nan 8.150 nan 0.000 0.406 733 M N 1.385 120.923 119.600 -0.103 0.000 2.274 733 M HA 0.574 5.052 4.480 -0.003 0.000 0.272 733 M C -2.005 174.183 176.300 -0.186 0.000 1.053 733 M CA -0.543 54.557 55.300 -0.334 0.000 0.978 733 M CB 1.151 33.463 32.600 -0.481 0.000 1.836 733 M HN 0.938 nan 8.290 nan 0.000 0.484 734 W N 4.284 125.429 121.300 -0.258 0.000 2.516 734 W HA 0.772 5.430 4.660 -0.003 0.000 0.343 734 W C -2.001 174.255 176.519 -0.438 0.000 1.094 734 W CA -0.838 56.436 57.345 -0.118 0.000 1.250 734 W CB 0.389 29.813 29.460 -0.060 0.000 1.308 734 W HN 0.608 nan 8.180 nan 0.000 0.588 735 Y N 2.407 122.835 120.300 0.212 0.000 2.388 735 Y HA 0.296 4.844 4.550 -0.003 0.000 0.328 735 Y C 0.500 176.508 175.900 0.180 0.000 0.963 735 Y CA -1.106 57.035 58.100 0.068 0.000 1.240 735 Y CB 1.332 39.808 38.460 0.028 0.000 1.118 735 Y HN 0.438 nan 8.280 nan 0.000 0.484 736 T N 4.750 119.461 114.554 0.261 0.000 2.822 736 T HA -0.035 4.313 4.350 -0.003 0.000 0.288 736 T C 0.170 174.944 174.700 0.123 0.000 0.991 736 T CA 0.696 62.904 62.100 0.180 0.000 1.176 736 T CB -0.160 68.757 68.868 0.082 0.000 0.951 736 T HN 0.693 nan 8.240 nan 0.000 0.526 737 D N 0.912 121.361 120.400 0.082 0.000 3.077 737 D HA -0.123 4.515 4.640 -0.003 0.000 0.217 737 D C 0.265 176.700 176.300 0.226 0.000 1.162 737 D CA 1.128 55.121 54.000 -0.011 0.000 0.943 737 D CB -0.384 40.200 40.800 -0.360 0.000 1.122 737 D HN 0.538 nan 8.370 nan 0.000 0.413 738 E N 0.772 121.126 120.200 0.255 0.000 2.277 738 E HA 0.361 4.709 4.350 -0.003 0.000 0.274 738 E C 0.730 177.522 176.600 0.321 0.000 1.022 738 E CA -0.327 56.244 56.400 0.285 0.000 0.853 738 E CB 1.236 31.098 29.700 0.270 0.000 1.086 738 E HN 0.335 nan 8.360 nan 0.000 0.397 739 D N -0.512 120.089 120.400 0.335 0.000 2.541 739 D HA 0.015 4.653 4.640 -0.003 0.000 0.276 739 D C 1.074 177.617 176.300 0.404 0.000 1.190 739 D CA -0.205 54.015 54.000 0.367 0.000 1.095 739 D CB -0.194 40.845 40.800 0.399 0.000 1.173 739 D HN 0.382 nan 8.370 nan 0.000 0.604 740 H N -1.535 117.727 119.070 0.319 0.000 2.457 740 H HA 0.072 4.626 4.556 -0.003 0.000 0.297 740 H C 1.855 177.461 175.328 0.463 0.000 1.092 740 H CA 2.131 58.392 56.048 0.354 0.000 1.309 740 H CB -0.380 29.576 29.762 0.324 0.000 1.382 740 H HN 0.498 nan 8.280 nan 0.000 0.535 741 G N -0.500 108.503 108.800 0.338 0.000 2.838 741 G HA2 0.033 3.991 3.960 -0.003 0.000 0.210 741 G HA3 0.033 3.991 3.960 -0.003 0.000 0.210 741 G C 0.652 175.763 174.900 0.352 0.000 1.153 741 G CA 0.231 45.464 45.100 0.221 0.000 0.778 741 G HN 0.497 nan 8.290 nan 0.000 0.539 742 I N 0.230 121.020 120.570 0.367 0.000 3.859 742 I HA -0.337 3.831 4.170 -0.003 0.000 0.126 742 I C 1.591 177.857 176.117 0.249 0.000 1.065 742 I CA 0.177 61.641 61.300 0.274 0.000 2.735 742 I CB -1.074 37.058 38.000 0.220 0.000 1.465 742 I HN 0.259 nan 8.210 nan 0.000 0.341 743 A N 1.288 124.223 122.820 0.191 0.000 2.348 743 A HA 0.258 4.576 4.320 -0.003 0.000 0.224 743 A C 1.189 178.829 177.584 0.093 0.000 1.227 743 A CA 0.539 52.651 52.037 0.124 0.000 0.885 743 A CB 0.115 19.151 19.000 0.061 0.000 0.933 743 A HN 0.649 nan 8.150 nan 0.000 0.506 744 S N -0.219 115.552 115.700 0.118 0.000 2.568 744 S HA 0.134 4.602 4.470 -0.003 0.000 0.282 744 S C 1.260 175.918 174.600 0.097 0.000 1.338 744 S CA 0.388 58.649 58.200 0.101 0.000 1.045 744 S CB 1.031 64.300 63.200 0.114 0.000 0.873 744 S HN 0.575 nan 8.310 nan 0.000 0.516 745 S N 2.528 118.269 115.700 0.069 0.000 2.368 745 S HA -0.210 4.258 4.470 -0.003 0.000 0.226 745 S C 2.095 176.759 174.600 0.107 0.000 1.044 745 S CA 2.477 60.718 58.200 0.070 0.000 1.062 745 S CB -1.660 61.565 63.200 0.040 0.000 0.931 745 S HN 1.088 nan 8.310 nan 0.000 0.440 746 T N -0.293 114.314 114.554 0.088 0.000 2.777 746 T HA 0.184 4.532 4.350 -0.003 0.000 0.266 746 T C 2.002 176.764 174.700 0.103 0.000 1.040 746 T CA 1.347 63.502 62.100 0.091 0.000 1.141 746 T CB -0.975 67.937 68.868 0.073 0.000 0.868 746 T HN 0.497 nan 8.240 nan 0.000 0.444 747 A N 1.496 124.361 122.820 0.074 0.000 1.898 747 A HA -0.085 4.233 4.320 -0.003 0.000 0.216 747 A C 2.190 179.730 177.584 -0.072 0.000 1.181 747 A CA 2.030 54.047 52.037 -0.034 0.000 0.620 747 A CB -1.278 17.676 19.000 -0.077 0.000 0.819 747 A HN 0.772 nan 8.150 nan 0.000 0.442 748 H N -0.046 119.008 119.070 -0.027 0.000 2.289 748 H HA -0.178 4.376 4.556 -0.003 0.000 0.296 748 H C 2.113 177.498 175.328 0.095 0.000 1.091 748 H CA 2.451 58.533 56.048 0.056 0.000 1.274 748 H CB -0.249 29.553 29.762 0.067 0.000 1.364 748 H HN 0.583 nan 8.280 nan 0.000 0.490 749 Q N -1.001 118.805 119.800 0.009 0.000 2.084 749 Q HA -0.196 4.142 4.340 -0.003 0.000 0.202 749 Q C 2.264 178.244 176.000 -0.034 0.000 0.978 749 Q CA 1.354 57.122 55.803 -0.058 0.000 0.844 749 Q CB -0.219 28.530 28.738 0.019 0.000 0.898 749 Q HN 0.644 nan 8.270 nan 0.000 0.426 750 H N 0.769 119.807 119.070 -0.053 0.000 2.326 750 H HA -0.074 4.480 4.556 -0.003 0.000 0.301 750 H C 2.039 177.350 175.328 -0.028 0.000 1.081 750 H CA 1.347 57.395 56.048 0.001 0.000 1.334 750 H CB -0.025 29.794 29.762 0.096 0.000 1.385 750 H HN 0.276 nan 8.280 nan 0.000 0.504 751 I N 0.114 120.625 120.570 -0.098 0.000 2.252 751 I HA -0.318 3.850 4.170 -0.003 0.000 0.245 751 I C 1.768 177.651 176.117 -0.390 0.000 1.102 751 I CA 1.210 62.365 61.300 -0.242 0.000 1.385 751 I CB -0.253 37.401 38.000 -0.578 0.000 1.064 751 I HN 0.137 nan 8.210 nan 0.000 0.414 752 Y N 0.908 120.995 120.300 -0.355 0.000 2.293 752 Y HA -0.187 4.361 4.550 -0.003 0.000 0.291 752 Y C 2.709 178.415 175.900 -0.323 0.000 1.137 752 Y CA 1.766 59.552 58.100 -0.524 0.000 1.202 752 Y CB -0.822 37.323 38.460 -0.524 0.000 0.990 752 Y HN 0.147 nan 8.280 nan 0.000 0.537 753 T N -1.660 112.827 114.554 -0.113 0.000 2.737 753 T HA -0.226 4.122 4.350 -0.003 0.000 0.265 753 T C 1.580 176.192 174.700 -0.148 0.000 1.038 753 T CA 1.858 63.861 62.100 -0.162 0.000 1.144 753 T CB -0.463 68.302 68.868 -0.171 0.000 0.866 753 T HN 0.402 nan 8.240 nan 0.000 0.434 754 H N 0.804 119.773 119.070 -0.169 0.000 2.353 754 H HA 0.089 4.643 4.556 -0.003 0.000 0.300 754 H C 2.158 177.491 175.328 0.008 0.000 1.090 754 H CA 1.568 57.592 56.048 -0.039 0.000 1.327 754 H CB -0.232 29.501 29.762 -0.048 0.000 1.383 754 H HN 0.257 nan 8.280 nan 0.000 0.508 755 M N -0.946 118.622 119.600 -0.054 0.000 2.175 755 M HA -0.146 4.332 4.480 -0.003 0.000 0.264 755 M C 2.395 178.824 176.300 0.216 0.000 1.063 755 M CA 1.321 56.587 55.300 -0.057 0.000 1.119 755 M CB 0.053 32.371 32.600 -0.471 0.000 1.377 755 M HN 0.206 nan 8.290 nan 0.000 0.415 756 S N -0.574 115.273 115.700 0.245 0.000 2.356 756 S HA -0.154 4.314 4.470 -0.003 0.000 0.223 756 S C 1.695 176.397 174.600 0.169 0.000 1.032 756 S CA 1.024 59.445 58.200 0.369 0.000 1.005 756 S CB -0.559 62.830 63.200 0.314 0.000 0.867 756 S HN 0.464 nan 8.310 nan 0.000 0.449 757 H N -0.194 118.943 119.070 0.111 0.000 2.352 757 H HA -0.055 4.499 4.556 -0.003 0.000 0.299 757 H C 1.972 177.310 175.328 0.018 0.000 1.097 757 H CA 1.324 57.391 56.048 0.031 0.000 1.311 757 H CB -0.707 29.023 29.762 -0.053 0.000 1.377 757 H HN 0.440 nan 8.280 nan 0.000 0.504 758 F N 1.098 121.048 119.950 0.000 0.000 2.134 758 F HA -0.165 4.360 4.527 -0.003 0.000 0.299 758 F C 2.275 178.042 175.800 -0.054 0.000 1.097 758 F CA 0.794 58.764 58.000 -0.050 0.000 1.264 758 F CB -0.209 38.742 39.000 -0.082 0.000 1.001 758 F HN -0.034 nan 8.300 nan 0.000 0.479 759 I N 0.512 121.099 120.570 0.029 0.000 2.202 759 I HA -0.243 3.925 4.170 -0.003 0.000 0.242 759 I C 2.228 178.177 176.117 -0.281 0.000 1.091 759 I CA 1.388 62.553 61.300 -0.225 0.000 1.368 759 I CB -1.262 36.688 38.000 -0.085 0.000 1.058 759 I HN 0.175 nan 8.210 nan 0.000 0.410 760 K N 0.239 120.609 120.400 -0.050 0.000 2.063 760 K HA -0.231 4.087 4.320 -0.003 0.000 0.208 760 K C 2.132 178.726 176.600 -0.010 0.000 1.048 760 K CA 1.229 57.535 56.287 0.031 0.000 0.928 760 K CB -0.229 32.334 32.500 0.104 0.000 0.713 760 K HN 0.291 nan 8.250 nan 0.000 0.442 761 Q N 1.192 120.945 119.800 -0.079 0.000 2.050 761 Q HA -0.212 4.126 4.340 -0.003 0.000 0.202 761 Q C 2.291 178.193 176.000 -0.164 0.000 0.980 761 Q CA 1.866 57.603 55.803 -0.109 0.000 0.840 761 Q CB -0.652 28.001 28.738 -0.142 0.000 0.898 761 Q HN 0.438 nan 8.270 nan 0.000 0.424 762 c N 0.243 118.633 118.600 -0.350 0.000 2.422 762 c HA -0.088 4.480 4.570 -0.003 0.000 0.279 762 c C 2.146 176.219 174.090 -0.027 0.000 1.305 762 c CA 0.445 56.581 56.329 -0.322 0.000 1.757 762 c CB -1.357 40.799 42.510 -0.589 0.000 1.962 762 c HN 0.514 nan 8.230 nan 0.000 0.499 763 F N 1.571 121.485 119.950 -0.061 0.000 2.765 763 F HA 0.260 4.785 4.527 -0.003 0.000 0.302 763 F C 1.623 177.411 175.800 -0.020 0.000 1.111 763 F CA 0.350 58.336 58.000 -0.024 0.000 1.359 763 F CB -1.120 37.874 39.000 -0.010 0.000 1.097 763 F HN 0.204 nan 8.300 nan 0.000 0.577 764 S N 0.981 116.763 115.700 0.138 0.000 3.682 764 S HA -0.200 4.268 4.470 -0.003 0.000 0.354 764 S C -0.042 174.606 174.600 0.081 0.000 1.034 764 S CA 0.099 58.346 58.200 0.078 0.000 1.084 764 S CB -2.054 61.183 63.200 0.061 0.000 0.903 764 S HN 0.226 nan 8.310 nan 0.000 0.470 765 L N 0.863 122.145 121.223 0.099 0.000 2.295 765 L HA 0.472 4.810 4.340 -0.003 0.000 0.285 765 L C -1.327 175.588 176.870 0.075 0.000 1.035 765 L CA -2.166 52.728 54.840 0.089 0.000 0.806 765 L CB 0.542 42.672 42.059 0.118 0.000 1.214 765 L HN 0.038 nan 8.230 nan 0.000 0.426 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.730 31.700 0.049 0.000 0.726