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 2g5t_1_B DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.645 174.600 0.074 0.000 1.055 39 S CA 0.000 58.227 58.200 0.045 0.000 1.107 39 S CB 0.000 63.222 63.200 0.037 0.000 0.593 40 R N 0.795 121.337 120.500 0.070 0.000 0.970 40 R HA -0.090 4.351 4.340 0.168 0.000 0.431 40 R C -0.480 175.876 176.300 0.092 0.000 1.364 40 R CA 0.624 56.773 56.100 0.081 0.000 1.167 40 R CB -0.337 30.014 30.300 0.084 0.000 3.395 40 R HN 0.976 nan 8.270 nan 0.000 0.514 41 K N 0.851 121.309 120.400 0.098 0.000 2.102 41 K HA 0.421 4.841 4.320 0.168 0.000 0.244 41 K C 0.202 176.877 176.600 0.126 0.000 1.021 41 K CA -0.225 56.129 56.287 0.111 0.000 0.913 41 K CB 0.992 33.564 32.500 0.121 0.000 1.062 41 K HN 0.656 nan 8.250 nan 0.000 0.485 42 T N -2.214 112.424 114.554 0.139 0.000 2.948 42 T HA 0.173 4.624 4.350 0.168 0.000 0.285 42 T C -0.658 174.180 174.700 0.229 0.000 1.019 42 T CA -0.790 61.407 62.100 0.162 0.000 1.013 42 T CB 0.582 69.536 68.868 0.143 0.000 1.117 42 T HN 0.523 nan 8.240 nan 0.000 0.533 43 Y N 2.791 123.164 120.300 0.122 0.000 2.539 43 Y HA 0.363 5.012 4.550 0.164 0.000 0.352 43 Y C 0.927 176.990 175.900 0.271 0.000 1.004 43 Y CA -0.386 57.830 58.100 0.193 0.000 1.278 43 Y CB -0.296 38.236 38.460 0.121 0.000 1.136 43 Y HN 0.996 nan 8.280 nan 0.000 0.528 44 T N 2.573 117.116 114.554 -0.017 0.000 2.847 44 T HA 0.130 4.581 4.350 0.168 0.000 0.279 44 T C 1.008 175.636 174.700 -0.121 0.000 0.984 44 T CA -0.722 61.418 62.100 0.067 0.000 0.988 44 T CB 1.240 70.124 68.868 0.026 0.000 1.040 44 T HN 0.697 nan 8.240 nan 0.000 0.528 45 L N 1.041 122.097 121.223 -0.279 0.000 2.083 45 L HA 0.013 4.454 4.340 0.168 0.000 0.209 45 L C 2.532 179.268 176.870 -0.222 0.000 1.083 45 L CA 2.061 56.575 54.840 -0.543 0.000 0.752 45 L CB -1.457 40.108 42.059 -0.823 0.000 0.899 45 L HN 0.941 nan 8.230 nan 0.000 0.433 46 T N -0.562 113.884 114.554 -0.180 0.000 2.821 46 T HA -0.134 4.317 4.350 0.168 0.000 0.267 46 T C 1.443 176.051 174.700 -0.153 0.000 1.046 46 T CA 1.413 63.431 62.100 -0.137 0.000 1.139 46 T CB -0.322 68.489 68.868 -0.096 0.000 0.871 46 T HN 0.425 nan 8.240 nan 0.000 0.454 47 D N 0.109 120.384 120.400 -0.208 0.000 2.178 47 D HA -0.068 4.673 4.640 0.168 0.000 0.202 47 D C 1.706 177.914 176.300 -0.153 0.000 0.974 47 D CA 0.862 54.715 54.000 -0.245 0.000 0.841 47 D CB -0.219 40.386 40.800 -0.324 0.000 0.953 47 D HN 0.417 nan 8.370 nan 0.000 0.478 48 Y N 1.559 121.679 120.300 -0.299 0.000 2.220 48 Y HA -0.033 4.612 4.550 0.158 0.000 0.291 48 Y C 2.091 177.991 175.900 0.000 0.000 1.129 48 Y CA 1.022 59.106 58.100 -0.027 0.000 1.161 48 Y CB -0.475 38.017 38.460 0.053 0.000 0.997 48 Y HN -0.134 nan 8.280 nan 0.000 0.522 49 L N -0.037 120.988 121.223 -0.329 0.000 2.217 49 L HA -0.107 4.334 4.340 0.168 0.000 0.211 49 L C 1.708 178.463 176.870 -0.191 0.000 1.107 49 L CA 1.050 55.682 54.840 -0.347 0.000 0.783 49 L CB -0.371 41.557 42.059 -0.218 0.000 0.919 49 L HN 0.036 nan 8.230 nan 0.000 0.442 50 K N -0.105 120.209 120.400 -0.144 0.000 2.358 50 K HA 0.072 4.493 4.320 0.168 0.000 0.197 50 K C 0.050 176.600 176.600 -0.084 0.000 1.025 50 K CA -0.127 56.099 56.287 -0.100 0.000 1.104 50 K CB -0.312 32.132 32.500 -0.094 0.000 0.855 50 K HN 0.236 nan 8.250 nan 0.000 0.531 51 N N 1.784 120.441 118.700 -0.071 0.000 2.705 51 N HA -0.216 4.625 4.740 0.168 0.000 0.255 51 N C 0.452 175.950 175.510 -0.021 0.000 1.008 51 N CA 0.482 53.533 53.050 0.001 0.000 0.742 51 N CB -0.423 38.061 38.487 -0.005 0.000 0.906 51 N HN 0.345 nan 8.380 nan 0.000 0.541 52 T N -2.870 111.620 114.554 -0.108 0.000 3.035 52 T HA -0.088 4.363 4.350 0.168 0.000 0.268 52 T C 0.363 174.853 174.700 -0.350 0.000 1.109 52 T CA 0.965 62.896 62.100 -0.282 0.000 1.119 52 T CB -0.048 68.536 68.868 -0.472 0.000 0.900 52 T HN 0.347 nan 8.240 nan 0.000 0.503 53 Y N 1.818 122.218 120.300 0.167 0.000 2.842 53 Y HA 0.549 5.198 4.550 0.166 0.000 0.334 53 Y C 0.500 176.509 175.900 0.181 0.000 1.019 53 Y CA -1.705 56.512 58.100 0.195 0.000 1.258 53 Y CB 0.406 39.041 38.460 0.290 0.000 1.106 53 Y HN -0.043 nan 8.280 nan 0.000 0.545 54 R N 1.979 122.622 120.500 0.237 0.000 2.490 54 R HA 0.503 4.944 4.340 0.168 0.000 0.278 54 R C -0.822 175.596 176.300 0.195 0.000 1.069 54 R CA -0.567 55.643 56.100 0.183 0.000 1.080 54 R CB 0.833 31.200 30.300 0.112 0.000 1.030 54 R HN 0.526 nan 8.270 nan 0.000 0.491 55 L N 3.328 124.663 121.223 0.186 0.000 2.264 55 L HA 0.324 4.764 4.340 0.168 0.000 0.289 55 L C 0.206 177.168 176.870 0.154 0.000 1.044 55 L CA -0.345 54.613 54.840 0.197 0.000 0.807 55 L CB 1.259 43.456 42.059 0.231 0.000 1.192 55 L HN 0.375 nan 8.230 nan 0.000 0.425 56 K N 3.791 124.278 120.400 0.145 0.000 2.270 56 K HA 0.533 4.953 4.320 0.168 0.000 0.276 56 K C -0.729 175.931 176.600 0.099 0.000 1.023 56 K CA -0.245 56.106 56.287 0.106 0.000 0.955 56 K CB 0.929 33.488 32.500 0.098 0.000 0.975 56 K HN 0.432 nan 8.250 nan 0.000 0.471 57 L N 2.017 123.233 121.223 -0.012 0.000 2.286 57 L HA 0.438 4.879 4.340 0.168 0.000 0.265 57 L C -0.913 175.750 176.870 -0.346 0.000 1.012 57 L CA -1.067 53.654 54.840 -0.198 0.000 0.818 57 L CB 1.077 43.100 42.059 -0.058 0.000 1.337 57 L HN 0.569 nan 8.230 nan 0.000 0.438 58 Y N 0.379 120.199 120.300 -0.799 0.000 2.592 58 Y HA 0.318 4.968 4.550 0.167 0.000 0.354 58 Y C -0.565 175.150 175.900 -0.309 0.000 1.063 58 Y CA -0.586 57.211 58.100 -0.506 0.000 1.205 58 Y CB 1.107 39.109 38.460 -0.763 0.000 1.106 58 Y HN 0.418 nan 8.280 nan 0.000 0.649 59 S N 5.469 121.087 115.700 -0.137 0.000 2.405 59 S HA 0.452 5.022 4.470 0.168 0.000 0.291 59 S C -0.513 174.036 174.600 -0.085 0.000 1.137 59 S CA -0.476 57.680 58.200 -0.073 0.000 1.061 59 S CB -0.371 62.797 63.200 -0.053 0.000 1.001 59 S HN 0.547 nan 8.310 nan 0.000 0.507 60 L N 1.484 122.621 121.223 -0.143 0.000 2.313 60 L HA 0.799 5.239 4.340 0.168 0.000 0.268 60 L C -0.151 176.594 176.870 -0.208 0.000 1.010 60 L CA -0.804 53.883 54.840 -0.254 0.000 0.814 60 L CB 0.815 42.407 42.059 -0.777 0.000 1.304 60 L HN 0.198 nan 8.230 nan 0.000 0.441 61 R N 1.078 121.487 120.500 -0.151 0.000 2.435 61 R HA 0.294 4.735 4.340 0.168 0.000 0.308 61 R C -1.766 174.538 176.300 0.008 0.000 0.975 61 R CA -0.248 55.833 56.100 -0.032 0.000 0.867 61 R CB 1.206 31.523 30.300 0.029 0.000 1.171 61 R HN 0.784 nan 8.270 nan 0.000 0.470 62 W N 4.271 125.676 121.300 0.176 0.000 2.253 62 W HA 0.152 4.913 4.660 0.167 0.000 0.322 62 W C 1.769 178.378 176.519 0.150 0.000 1.342 62 W CA -0.417 57.051 57.345 0.204 0.000 1.218 62 W CB 0.486 30.063 29.460 0.196 0.000 1.205 62 W HN 0.612 nan 8.180 nan 0.000 0.551 63 I N 0.420 121.211 120.570 0.368 0.000 4.082 63 I HA 0.333 4.603 4.170 0.168 0.000 0.337 63 I C 0.602 176.858 176.117 0.231 0.000 1.352 63 I CA -0.096 61.333 61.300 0.215 0.000 1.097 63 I CB -0.179 37.875 38.000 0.089 0.000 1.048 63 I HN 0.289 nan 8.210 nan 0.000 0.393 64 S N -0.417 115.482 115.700 0.331 0.000 2.761 64 S HA 0.256 4.827 4.470 0.168 0.000 0.290 64 S C -0.289 174.499 174.600 0.314 0.000 1.222 64 S CA -0.122 58.256 58.200 0.297 0.000 0.954 64 S CB 1.370 64.752 63.200 0.303 0.000 1.281 64 S HN 0.073 nan 8.310 nan 0.000 0.527 65 D N -1.004 119.567 120.400 0.285 0.000 2.339 65 D HA 0.298 5.038 4.640 0.168 0.000 0.217 65 D C 0.853 177.159 176.300 0.011 0.000 1.050 65 D CA 0.717 54.743 54.000 0.044 0.000 0.856 65 D CB 0.043 40.779 40.800 -0.107 0.000 0.922 65 D HN 0.580 nan 8.370 nan 0.000 0.518 66 H N -1.313 117.935 119.070 0.297 0.000 3.091 66 H HA 0.438 5.095 4.556 0.168 0.000 0.249 66 H C 0.032 175.521 175.328 0.268 0.000 0.985 66 H CA -0.064 56.164 56.048 0.300 0.000 1.177 66 H CB 0.652 30.533 29.762 0.200 0.000 1.456 66 H HN 0.014 nan 8.280 nan 0.000 0.467 67 E N 0.310 120.784 120.200 0.456 0.000 2.359 67 E HA 0.429 4.880 4.350 0.168 0.000 0.266 67 E C -1.360 175.447 176.600 0.344 0.000 0.920 67 E CA -1.230 55.332 56.400 0.270 0.000 0.788 67 E CB 2.862 32.641 29.700 0.131 0.000 1.279 67 E HN 0.178 nan 8.360 nan 0.000 0.438 68 Y N -1.378 118.945 120.300 0.039 0.000 2.644 68 Y HA 0.645 5.297 4.550 0.169 0.000 0.338 68 Y C -1.702 174.165 175.900 -0.055 0.000 1.119 68 Y CA -1.379 56.613 58.100 -0.180 0.000 1.060 68 Y CB 0.816 38.771 38.460 -0.843 0.000 1.294 68 Y HN 0.339 nan 8.280 nan 0.000 0.472 69 L N 2.499 123.854 121.223 0.218 0.000 2.325 69 L HA 0.507 4.948 4.340 0.168 0.000 0.278 69 L C -1.439 175.606 176.870 0.290 0.000 1.023 69 L CA -0.992 53.941 54.840 0.156 0.000 0.811 69 L CB 1.781 43.799 42.059 -0.068 0.000 1.249 69 L HN 0.770 nan 8.230 nan 0.000 0.431 70 Y N 2.845 123.238 120.300 0.155 0.000 2.421 70 Y HA 0.485 5.135 4.550 0.167 0.000 0.339 70 Y C -1.111 174.787 175.900 -0.003 0.000 0.996 70 Y CA -1.121 56.991 58.100 0.021 0.000 1.046 70 Y CB 1.605 40.086 38.460 0.035 0.000 1.226 70 Y HN 0.450 nan 8.280 nan 0.000 0.445 71 K N 4.272 124.252 120.400 -0.700 0.000 2.328 71 K HA 0.537 4.958 4.320 0.168 0.000 0.246 71 K C -0.770 175.397 176.600 -0.722 0.000 0.955 71 K CA -1.054 54.917 56.287 -0.527 0.000 0.817 71 K CB 2.557 34.873 32.500 -0.307 0.000 1.208 71 K HN 0.556 nan 8.250 nan 0.000 0.432 72 Q N 0.734 120.298 119.800 -0.393 0.000 3.071 72 Q HA 0.169 4.610 4.340 0.168 0.000 0.204 72 Q C 0.199 176.099 176.000 -0.166 0.000 1.165 72 Q CA -0.261 55.376 55.803 -0.278 0.000 0.372 72 Q CB 0.369 29.026 28.738 -0.136 0.000 5.650 72 Q HN 0.644 nan 8.270 nan 0.000 0.309 73 E N -0.146 120.001 120.200 -0.088 0.000 2.558 73 E HA 0.172 4.623 4.350 0.168 0.000 0.205 73 E C -0.380 176.210 176.600 -0.016 0.000 1.006 73 E CA -0.035 56.339 56.400 -0.043 0.000 0.961 73 E CB 0.349 30.032 29.700 -0.028 0.000 1.044 73 E HN 0.358 nan 8.360 nan 0.000 0.465 74 N N 0.024 118.704 118.700 -0.034 0.000 2.936 74 N HA 0.015 4.856 4.740 0.168 0.000 0.165 74 N C -0.359 175.127 175.510 -0.041 0.000 1.621 74 N CA -0.174 52.865 53.050 -0.017 0.000 1.214 74 N CB -0.002 38.471 38.487 -0.022 0.000 0.959 74 N HN 0.066 nan 8.380 nan 0.000 0.573 75 N N 1.116 119.780 118.700 -0.060 0.000 2.495 75 N HA 0.395 5.236 4.740 0.168 0.000 0.280 75 N C -0.671 174.782 175.510 -0.095 0.000 1.168 75 N CA -0.219 52.786 53.050 -0.075 0.000 0.978 75 N CB 1.172 39.625 38.487 -0.056 0.000 1.191 75 N HN 0.258 nan 8.380 nan 0.000 0.497 76 I N 1.017 121.537 120.570 -0.083 0.000 2.307 76 I HA 0.210 4.481 4.170 0.168 0.000 0.289 76 I C -0.317 175.823 176.117 0.040 0.000 1.021 76 I CA -0.653 60.609 61.300 -0.063 0.000 1.224 76 I CB 0.327 38.268 38.000 -0.098 0.000 1.376 76 I HN 0.316 nan 8.210 nan 0.000 0.470 77 L N 6.571 127.828 121.223 0.056 0.000 2.399 77 L HA 0.582 5.023 4.340 0.168 0.000 0.265 77 L C -0.182 176.724 176.870 0.060 0.000 1.089 77 L CA -0.882 53.979 54.840 0.035 0.000 0.802 77 L CB 1.869 43.925 42.059 -0.005 0.000 1.180 77 L HN 0.301 nan 8.230 nan 0.000 0.454 78 V N 1.780 121.651 119.914 -0.071 0.000 2.448 78 V HA 0.502 4.723 4.120 0.168 0.000 0.295 78 V C -0.875 175.055 176.094 -0.273 0.000 1.025 78 V CA -0.259 62.006 62.300 -0.059 0.000 0.859 78 V CB 1.459 33.295 31.823 0.023 0.000 0.988 78 V HN 0.452 nan 8.190 nan 0.000 0.431 79 F N 4.875 124.593 119.950 -0.387 0.000 2.483 79 F HA 0.531 5.159 4.527 0.168 0.000 0.329 79 F C 0.541 176.066 175.800 -0.458 0.000 1.064 79 F CA -0.546 57.144 58.000 -0.517 0.000 0.986 79 F CB 1.616 40.032 39.000 -0.974 0.000 1.218 79 F HN 0.474 nan 8.300 nan 0.000 0.484 80 N N 1.353 120.002 118.700 -0.086 0.000 2.469 80 N HA 0.286 5.127 4.740 0.168 0.000 0.253 80 N C 0.354 175.800 175.510 -0.106 0.000 0.970 80 N CA 0.036 53.057 53.050 -0.047 0.000 0.940 80 N CB 1.794 40.323 38.487 0.069 0.000 1.128 80 N HN 0.790 nan 8.380 nan 0.000 0.503 81 A N 3.631 126.337 122.820 -0.190 0.000 1.908 81 A HA -0.206 4.214 4.320 0.168 0.000 0.218 81 A C 1.880 179.203 177.584 -0.434 0.000 1.181 81 A CA 1.704 53.550 52.037 -0.317 0.000 0.627 81 A CB -0.447 18.208 19.000 -0.574 0.000 0.818 81 A HN 0.774 nan 8.150 nan 0.000 0.445 82 E N -0.995 118.909 120.200 -0.494 0.000 2.051 82 E HA -0.178 4.273 4.350 0.168 0.000 0.192 82 E C 1.571 177.938 176.600 -0.388 0.000 0.991 82 E CA 1.913 58.045 56.400 -0.446 0.000 0.799 82 E CB -0.374 28.957 29.700 -0.614 0.000 0.748 82 E HN 0.717 nan 8.360 nan 0.000 0.449 83 Y N -1.950 118.347 120.300 -0.005 0.000 2.479 83 Y HA 0.357 5.008 4.550 0.168 0.000 0.283 83 Y C 1.900 177.802 175.900 0.005 0.000 1.109 83 Y CA 0.545 58.647 58.100 0.004 0.000 1.239 83 Y CB 0.294 38.759 38.460 0.007 0.000 1.108 83 Y HN 0.208 nan 8.280 nan 0.000 0.548 84 G N 0.248 109.133 108.800 0.141 0.000 2.195 84 G HA2 -0.279 3.782 3.960 0.168 0.000 0.224 84 G HA3 -0.279 3.782 3.960 0.168 0.000 0.224 84 G C 0.070 175.099 174.900 0.217 0.000 0.990 84 G CA 0.015 45.208 45.100 0.156 0.000 0.639 84 G HN 0.438 nan 8.290 nan 0.000 0.514 85 N N 1.030 119.810 118.700 0.132 0.000 2.503 85 N HA 0.570 5.410 4.740 0.168 0.000 0.267 85 N C 0.248 175.668 175.510 -0.150 0.000 1.214 85 N CA 0.745 53.804 53.050 0.015 0.000 0.959 85 N CB 1.573 40.062 38.487 0.004 0.000 1.142 85 N HN 0.895 nan 8.380 nan 0.000 0.455 86 S N -0.109 115.383 115.700 -0.346 0.000 2.851 86 S HA 0.802 5.373 4.470 0.168 0.000 0.317 86 S C -0.865 173.532 174.600 -0.338 0.000 1.144 86 S CA -0.792 57.047 58.200 -0.601 0.000 0.862 86 S CB 1.357 63.697 63.200 -1.433 0.000 1.259 86 S HN 0.646 nan 8.310 nan 0.000 0.564 87 S N -0.046 115.467 115.700 -0.311 0.000 2.548 87 S HA 0.389 4.960 4.470 0.168 0.000 0.278 87 S C -1.071 173.453 174.600 -0.126 0.000 1.150 87 S CA -0.762 57.335 58.200 -0.171 0.000 0.907 87 S CB 1.465 64.597 63.200 -0.113 0.000 1.108 87 S HN 0.767 nan 8.310 nan 0.000 0.459 88 V N 3.931 123.787 119.914 -0.097 0.000 2.509 88 V HA 0.006 4.226 4.120 0.168 0.000 0.297 88 V C 0.896 176.977 176.094 -0.023 0.000 1.014 88 V CA 0.695 62.961 62.300 -0.057 0.000 1.127 88 V CB -0.310 31.470 31.823 -0.072 0.000 0.925 88 V HN 0.947 nan 8.190 nan 0.000 0.480 89 F N 6.782 126.670 119.950 -0.105 0.000 2.387 89 F HA 0.273 4.901 4.527 0.169 0.000 0.294 89 F C 0.508 176.257 175.800 -0.086 0.000 1.093 89 F CA 0.446 58.393 58.000 -0.088 0.000 1.420 89 F CB 0.532 39.487 39.000 -0.074 0.000 1.086 89 F HN 0.374 nan 8.300 nan 0.000 0.531 90 L N 0.391 121.584 121.223 -0.050 0.000 2.847 90 L HA 0.396 4.836 4.340 0.168 0.000 0.261 90 L C -1.168 175.638 176.870 -0.108 0.000 0.926 90 L CA -0.911 53.844 54.840 -0.141 0.000 1.010 90 L CB 0.266 42.264 42.059 -0.103 0.000 1.538 90 L HN -0.151 nan 8.230 nan 0.000 0.465 91 E N 2.725 122.839 120.200 -0.143 0.000 2.414 91 E HA 0.138 4.589 4.350 0.168 0.000 0.263 91 E C 1.548 178.063 176.600 -0.142 0.000 1.000 91 E CA 0.877 57.202 56.400 -0.125 0.000 0.914 91 E CB 0.855 30.481 29.700 -0.123 0.000 0.948 91 E HN 0.739 nan 8.360 nan 0.000 0.444 92 N N 2.052 120.697 118.700 -0.091 0.000 2.192 92 N HA -0.233 4.608 4.740 0.168 0.000 0.188 92 N C 1.086 176.553 175.510 -0.072 0.000 1.013 92 N CA 1.274 54.292 53.050 -0.054 0.000 0.863 92 N CB -0.126 38.348 38.487 -0.022 0.000 0.990 92 N HN 0.216 nan 8.380 nan 0.000 0.430 93 S N 0.907 116.545 115.700 -0.104 0.000 2.374 93 S HA -0.147 4.424 4.470 0.168 0.000 0.227 93 S C 1.912 176.392 174.600 -0.201 0.000 1.037 93 S CA 1.829 59.963 58.200 -0.111 0.000 1.024 93 S CB -0.807 62.332 63.200 -0.102 0.000 0.861 93 S HN 0.480 nan 8.310 nan 0.000 0.456 94 T N 1.324 115.657 114.554 -0.369 0.000 2.824 94 T HA -0.225 4.225 4.350 0.168 0.000 0.259 94 T C 0.551 174.738 174.700 -0.854 0.000 1.024 94 T CA 1.691 63.355 62.100 -0.727 0.000 1.164 94 T CB -0.521 67.624 68.868 -1.206 0.000 0.836 94 T HN 0.453 nan 8.240 nan 0.000 0.485 95 F N 0.678 120.545 119.950 -0.138 0.000 2.928 95 F HA 0.372 5.000 4.527 0.169 0.000 0.337 95 F C 1.008 176.803 175.800 -0.007 0.000 1.259 95 F CA -1.423 56.515 58.000 -0.102 0.000 1.267 95 F CB 0.202 39.068 39.000 -0.224 0.000 0.986 95 F HN -0.040 nan 8.300 nan 0.000 0.507 96 D N 0.879 121.327 120.400 0.081 0.000 2.224 96 D HA -0.117 4.624 4.640 0.168 0.000 0.205 96 D C 1.242 177.588 176.300 0.078 0.000 0.965 96 D CA 1.162 55.202 54.000 0.066 0.000 0.852 96 D CB 0.187 40.995 40.800 0.014 0.000 0.947 96 D HN 0.590 nan 8.370 nan 0.000 0.494 97 E N -0.452 119.805 120.200 0.094 0.000 2.815 97 E HA 0.064 4.514 4.350 0.168 0.000 0.211 97 E C 0.834 177.493 176.600 0.099 0.000 1.004 97 E CA -0.387 56.050 56.400 0.062 0.000 1.173 97 E CB -0.335 29.382 29.700 0.028 0.000 1.163 97 E HN -0.043 nan 8.360 nan 0.000 0.449 98 F N 1.850 121.793 119.950 -0.011 0.000 2.206 98 F HA 0.160 4.787 4.527 0.167 0.000 0.298 98 F C 1.789 177.477 175.800 -0.187 0.000 1.090 98 F CA 2.072 60.049 58.000 -0.038 0.000 1.323 98 F CB 0.093 39.077 39.000 -0.027 0.000 1.028 98 F HN 0.365 nan 8.300 nan 0.000 0.492 99 G N -1.107 107.537 108.800 -0.259 0.000 2.213 99 G HA2 -0.224 3.836 3.960 0.168 0.000 0.236 99 G HA3 -0.224 3.836 3.960 0.168 0.000 0.236 99 G C 0.228 174.705 174.900 -0.704 0.000 0.991 99 G CA 0.293 45.074 45.100 -0.532 0.000 0.629 99 G HN 0.555 nan 8.290 nan 0.000 0.517 100 H N -0.125 118.792 119.070 -0.256 0.000 2.797 100 H HA 0.664 5.321 4.556 0.168 0.000 0.372 100 H C -0.403 174.962 175.328 0.062 0.000 1.168 100 H CA 0.026 55.986 56.048 -0.146 0.000 1.163 100 H CB 1.657 31.145 29.762 -0.456 0.000 1.778 100 H HN 0.176 nan 8.280 nan 0.000 0.551 101 S N 1.749 117.558 115.700 0.181 0.000 2.499 101 S HA 0.287 4.858 4.470 0.168 0.000 0.275 101 S C 0.126 174.769 174.600 0.073 0.000 1.257 101 S CA -0.725 57.534 58.200 0.099 0.000 1.050 101 S CB -0.550 62.690 63.200 0.067 0.000 0.937 101 S HN 0.377 nan 8.310 nan 0.000 0.490 102 I N 6.213 126.750 120.570 -0.054 0.000 2.312 102 I HA 0.207 4.478 4.170 0.168 0.000 0.291 102 I C 1.364 177.332 176.117 -0.248 0.000 1.031 102 I CA -0.499 60.664 61.300 -0.228 0.000 1.293 102 I CB 0.768 38.440 38.000 -0.548 0.000 1.403 102 I HN 0.748 nan 8.210 nan 0.000 0.484 103 N N 4.379 122.955 118.700 -0.207 0.000 2.353 103 N HA 0.036 4.877 4.740 0.168 0.000 0.185 103 N C -0.130 175.229 175.510 -0.251 0.000 1.098 103 N CA 0.247 53.166 53.050 -0.218 0.000 0.872 103 N CB 0.681 39.029 38.487 -0.232 0.000 0.970 103 N HN 0.570 nan 8.380 nan 0.000 0.467 104 D N -1.168 119.036 120.400 -0.327 0.000 2.766 104 D HA 0.237 4.978 4.640 0.168 0.000 0.244 104 D C -1.622 174.502 176.300 -0.294 0.000 1.198 104 D CA -0.414 53.448 54.000 -0.229 0.000 0.739 104 D CB 0.935 41.681 40.800 -0.090 0.000 1.379 104 D HN -0.116 nan 8.370 nan 0.000 0.437 105 Y N -0.025 120.280 120.300 0.007 0.000 2.650 105 Y HA 0.659 5.310 4.550 0.168 0.000 0.331 105 Y C 0.365 176.333 175.900 0.113 0.000 1.082 105 Y CA -0.829 57.299 58.100 0.046 0.000 1.171 105 Y CB 2.111 40.594 38.460 0.039 0.000 1.326 105 Y HN 0.158 nan 8.280 nan 0.000 0.513 106 S N 1.238 117.165 115.700 0.379 0.000 2.382 106 S HA 0.449 5.020 4.470 0.168 0.000 0.228 106 S C -1.508 173.372 174.600 0.467 0.000 0.996 106 S CA -0.443 57.983 58.200 0.378 0.000 1.094 106 S CB -0.285 63.138 63.200 0.372 0.000 1.209 106 S HN 0.552 nan 8.310 nan 0.000 0.420 107 I N 4.508 125.219 120.570 0.235 0.000 2.371 107 I HA 0.253 4.523 4.170 0.168 0.000 0.290 107 I C 1.091 177.090 176.117 -0.197 0.000 1.028 107 I CA -0.371 60.973 61.300 0.074 0.000 1.345 107 I CB 1.519 39.490 38.000 -0.049 0.000 1.407 107 I HN 0.732 nan 8.210 nan 0.000 0.501 108 S N 6.321 121.603 115.700 -0.696 0.000 2.566 108 S HA 0.096 4.667 4.470 0.168 0.000 0.280 108 S C -1.780 172.554 174.600 -0.443 0.000 1.343 108 S CA -0.887 56.589 58.200 -1.207 0.000 1.036 108 S CB 0.428 62.641 63.200 -1.645 0.000 0.866 108 S HN 0.438 nan 8.310 nan 0.000 0.526 109 P HA -0.069 nan 4.420 nan 0.000 0.221 109 P C 0.668 177.919 177.300 -0.081 0.000 1.145 109 P CA 1.046 64.079 63.100 -0.112 0.000 0.795 109 P CB 0.009 31.665 31.700 -0.073 0.000 0.775 110 D N -1.575 118.762 120.400 -0.105 0.000 2.149 110 D HA -0.025 4.716 4.640 0.168 0.000 0.201 110 D C 1.830 178.122 176.300 -0.012 0.000 0.972 110 D CA 1.742 55.727 54.000 -0.025 0.000 0.835 110 D CB -0.573 40.263 40.800 0.060 0.000 0.966 110 D HN 0.147 nan 8.370 nan 0.000 0.476 111 G N 0.293 109.074 108.800 -0.031 0.000 2.176 111 G HA2 -0.354 3.707 3.960 0.168 0.000 0.253 111 G HA3 -0.354 3.707 3.960 0.168 0.000 0.253 111 G C 1.057 175.996 174.900 0.064 0.000 0.979 111 G CA 0.607 45.766 45.100 0.098 0.000 0.641 111 G HN 0.382 nan 8.290 nan 0.000 0.530 112 Q N -1.319 118.419 119.800 -0.102 0.000 2.163 112 Q HA 0.340 4.780 4.340 0.168 0.000 0.198 112 Q C 0.442 176.047 176.000 -0.658 0.000 0.954 112 Q CA 0.806 56.377 55.803 -0.387 0.000 0.851 112 Q CB 0.219 28.693 28.738 -0.440 0.000 0.928 112 Q HN 0.565 nan 8.270 nan 0.000 0.459 113 F N -0.667 119.221 119.950 -0.104 0.000 2.611 113 F HA 0.525 5.152 4.527 0.168 0.000 0.324 113 F C -0.426 175.449 175.800 0.125 0.000 1.061 113 F CA -1.123 56.884 58.000 0.011 0.000 0.954 113 F CB 1.499 40.514 39.000 0.025 0.000 1.301 113 F HN -0.237 nan 8.300 nan 0.000 0.482 114 I N 2.558 123.470 120.570 0.569 0.000 2.533 114 I HA 0.331 4.602 4.170 0.168 0.000 0.290 114 I C -1.454 175.019 176.117 0.593 0.000 1.056 114 I CA -0.919 60.706 61.300 0.540 0.000 1.057 114 I CB 2.107 40.415 38.000 0.513 0.000 1.240 114 I HN 0.265 nan 8.210 nan 0.000 0.423 115 L N 7.279 128.863 121.223 0.603 0.000 2.276 115 L HA 0.476 4.916 4.340 0.168 0.000 0.286 115 L C -0.803 176.221 176.870 0.256 0.000 1.061 115 L CA 0.013 55.094 54.840 0.402 0.000 0.807 115 L CB 0.773 43.003 42.059 0.284 0.000 1.177 115 L HN 0.438 nan 8.230 nan 0.000 0.429 116 L N 5.272 126.581 121.223 0.143 0.000 2.280 116 L HA 0.489 4.929 4.340 0.168 0.000 0.287 116 L C -0.062 176.812 176.870 0.007 0.000 1.023 116 L CA -0.346 54.446 54.840 -0.079 0.000 0.819 116 L CB 1.366 43.207 42.059 -0.363 0.000 1.212 116 L HN 0.611 nan 8.230 nan 0.000 0.420 117 E N 4.236 124.363 120.200 -0.122 0.000 2.133 117 E HA 0.437 4.887 4.350 0.168 0.000 0.274 117 E C -1.613 174.896 176.600 -0.152 0.000 0.930 117 E CA -0.527 55.691 56.400 -0.303 0.000 0.770 117 E CB 1.187 30.759 29.700 -0.213 0.000 1.104 117 E HN 0.455 nan 8.360 nan 0.000 0.403 118 Y N 1.552 121.638 120.300 -0.356 0.000 2.715 118 Y HA 0.451 5.102 4.550 0.168 0.000 0.331 118 Y C -0.223 175.566 175.900 -0.185 0.000 1.197 118 Y CA -1.684 56.296 58.100 -0.200 0.000 1.079 118 Y CB 0.378 38.793 38.460 -0.075 0.000 1.298 118 Y HN 0.474 nan 8.280 nan 0.000 0.477 119 N N -0.279 118.394 118.700 -0.045 0.000 2.738 119 N HA -0.291 4.550 4.740 0.168 0.000 0.249 119 N C -1.150 174.286 175.510 -0.123 0.000 1.047 119 N CA 0.940 53.915 53.050 -0.125 0.000 0.707 119 N CB -1.617 36.684 38.487 -0.309 0.000 0.937 119 N HN 0.836 nan 8.380 nan 0.000 0.545 120 Y N 0.069 120.265 120.300 -0.173 0.000 2.569 120 Y HA 0.294 4.938 4.550 0.157 0.000 0.332 120 Y C -0.036 175.800 175.900 -0.106 0.000 1.120 120 Y CA -0.139 57.854 58.100 -0.178 0.000 1.416 120 Y CB 0.664 38.974 38.460 -0.251 0.000 1.210 120 Y HN 0.018 nan 8.280 nan 0.000 0.528 121 V N 8.332 127.861 119.914 -0.643 0.000 2.325 121 V HA 0.182 4.403 4.120 0.168 0.000 0.280 121 V C -0.113 175.578 176.094 -0.672 0.000 1.016 121 V CA -1.341 60.629 62.300 -0.550 0.000 0.818 121 V CB 0.907 32.572 31.823 -0.264 0.000 1.019 121 V HN 0.741 nan 8.190 nan 0.000 0.434 122 K N 3.714 123.621 120.400 -0.823 0.000 2.448 122 K HA 0.130 4.551 4.320 0.168 0.000 0.278 122 K C 0.459 176.906 176.600 -0.255 0.000 1.009 122 K CA 0.356 56.387 56.287 -0.427 0.000 0.995 122 K CB 1.063 33.491 32.500 -0.121 0.000 0.917 122 K HN 0.800 nan 8.250 nan 0.000 0.481 123 Q N 3.298 122.949 119.800 -0.248 0.000 2.729 123 Q HA 0.169 4.610 4.340 0.168 0.000 0.228 123 Q C -0.049 175.746 176.000 -0.341 0.000 1.021 123 Q CA -0.376 55.100 55.803 -0.544 0.000 0.561 123 Q CB 0.090 28.325 28.738 -0.838 0.000 3.921 123 Q HN 0.726 nan 8.270 nan 0.000 0.430 124 W N 0.213 121.526 121.300 0.021 0.000 1.833 124 W HA 0.295 5.039 4.660 0.140 0.000 0.593 124 W C 1.780 178.302 176.519 0.004 0.000 1.936 124 W CA -0.547 56.835 57.345 0.063 0.000 2.192 124 W CB -0.075 29.382 29.460 -0.006 0.000 2.633 124 W HN 0.361 nan 8.180 nan 0.000 0.783 125 R N -0.357 120.258 120.500 0.191 0.000 2.091 125 R HA -0.170 4.271 4.340 0.168 0.000 0.238 125 R C 1.470 177.642 176.300 -0.213 0.000 1.136 125 R CA 2.388 58.424 56.100 -0.107 0.000 0.959 125 R CB -0.520 29.554 30.300 -0.376 0.000 0.856 125 R HN 0.580 nan 8.270 nan 0.000 0.437 126 H N -1.246 117.917 119.070 0.156 0.000 2.788 126 H HA 0.263 4.940 4.556 0.201 0.000 0.262 126 H C 0.424 175.871 175.328 0.199 0.000 0.968 126 H CA 0.206 56.367 56.048 0.188 0.000 1.218 126 H CB 0.494 30.338 29.762 0.137 0.000 1.443 126 H HN 0.208 nan 8.280 nan 0.000 0.478 127 S N 0.877 116.609 115.700 0.053 0.000 2.593 127 S HA 0.343 4.914 4.470 0.168 0.000 0.269 127 S C -0.534 173.985 174.600 -0.135 0.000 1.334 127 S CA -0.449 57.504 58.200 -0.412 0.000 1.015 127 S CB 0.691 63.082 63.200 -1.349 0.000 0.912 127 S HN 0.460 nan 8.310 nan 0.000 0.541 128 Y N -2.742 117.445 120.300 -0.188 0.000 2.786 128 Y HA 0.552 5.198 4.550 0.161 0.000 0.365 128 Y C -0.929 174.988 175.900 0.028 0.000 1.171 128 Y CA -0.831 57.184 58.100 -0.141 0.000 1.214 128 Y CB 0.255 38.673 38.460 -0.071 0.000 1.411 128 Y HN 0.946 nan 8.280 nan 0.000 0.485 129 T N 0.255 114.897 114.554 0.148 0.000 2.918 129 T HA 1.033 5.484 4.350 0.168 0.000 0.286 129 T C -0.347 174.453 174.700 0.166 0.000 1.026 129 T CA -0.036 62.156 62.100 0.154 0.000 1.031 129 T CB 1.824 70.718 68.868 0.044 0.000 1.046 129 T HN 1.885 nan 8.240 nan 0.000 0.479 130 A N 1.122 124.017 122.820 0.123 0.000 2.515 130 A HA 0.821 5.241 4.320 0.168 0.000 0.299 130 A C -0.646 176.736 177.584 -0.337 0.000 1.179 130 A CA -0.998 50.954 52.037 -0.143 0.000 0.656 130 A CB 1.076 19.956 19.000 -0.200 0.000 1.306 130 A HN 0.851 nan 8.150 nan 0.000 0.459 131 S N -0.705 114.545 115.700 -0.750 0.000 2.537 131 S HA 0.785 5.356 4.470 0.168 0.000 0.301 131 S C -1.605 172.386 174.600 -1.015 0.000 1.092 131 S CA -0.075 57.621 58.200 -0.839 0.000 1.048 131 S CB 0.713 63.151 63.200 -1.270 0.000 1.053 131 S HN 0.431 nan 8.310 nan 0.000 0.501 132 Y N 0.305 120.416 120.300 -0.314 0.000 2.512 132 Y HA 0.537 5.187 4.550 0.166 0.000 0.348 132 Y C -0.182 175.756 175.900 0.064 0.000 0.990 132 Y CA -0.902 57.143 58.100 -0.091 0.000 1.033 132 Y CB 1.790 40.140 38.460 -0.184 0.000 1.259 132 Y HN 0.503 nan 8.280 nan 0.000 0.461 133 D N 2.246 122.838 120.400 0.320 0.000 2.857 133 D HA 0.519 5.260 4.640 0.168 0.000 0.227 133 D C -1.107 175.323 176.300 0.217 0.000 1.192 133 D CA -0.336 53.824 54.000 0.267 0.000 0.857 133 D CB 2.870 43.906 40.800 0.393 0.000 1.645 133 D HN 0.404 nan 8.370 nan 0.000 0.482 134 I N 1.764 122.462 120.570 0.214 0.000 2.404 134 I HA 0.248 4.519 4.170 0.168 0.000 0.293 134 I C -0.921 175.432 176.117 0.392 0.000 0.992 134 I CA -0.946 60.528 61.300 0.291 0.000 1.149 134 I CB 1.523 39.647 38.000 0.206 0.000 1.315 134 I HN 0.240 nan 8.210 nan 0.000 0.446 135 Y N 5.588 126.090 120.300 0.337 0.000 2.342 135 Y HA 0.254 4.905 4.550 0.168 0.000 0.338 135 Y C -0.010 176.102 175.900 0.355 0.000 0.965 135 Y CA -0.738 57.567 58.100 0.341 0.000 1.159 135 Y CB 0.935 39.647 38.460 0.419 0.000 1.157 135 Y HN 0.490 nan 8.280 nan 0.000 0.486 136 D N 6.617 126.940 120.400 -0.128 0.000 2.344 136 D HA 0.029 4.769 4.640 0.168 0.000 0.253 136 D C 0.886 176.858 176.300 -0.546 0.000 1.255 136 D CA 0.466 54.329 54.000 -0.229 0.000 0.894 136 D CB 0.835 41.564 40.800 -0.118 0.000 1.067 136 D HN 0.889 nan 8.370 nan 0.000 0.492 137 L N 3.893 124.880 121.223 -0.392 0.000 2.083 137 L HA -0.189 4.252 4.340 0.168 0.000 0.209 137 L C 2.175 178.868 176.870 -0.295 0.000 1.083 137 L CA 0.636 55.327 54.840 -0.248 0.000 0.752 137 L CB -0.264 41.700 42.059 -0.158 0.000 0.899 137 L HN 0.403 nan 8.230 nan 0.000 0.433 138 N N 1.179 119.667 118.700 -0.353 0.000 2.039 138 N HA -0.181 4.660 4.740 0.168 0.000 0.193 138 N C 1.317 176.697 175.510 -0.215 0.000 1.044 138 N CA 1.559 54.450 53.050 -0.265 0.000 0.847 138 N CB -0.267 38.061 38.487 -0.264 0.000 1.030 138 N HN 0.471 nan 8.380 nan 0.000 0.422 139 K N 1.383 121.648 120.400 -0.225 0.000 2.596 139 K HA 0.235 4.656 4.320 0.168 0.000 0.211 139 K C -0.497 175.982 176.600 -0.203 0.000 1.046 139 K CA -0.320 55.865 56.287 -0.170 0.000 1.202 139 K CB 0.061 32.487 32.500 -0.124 0.000 0.925 139 K HN -0.014 nan 8.250 nan 0.000 0.486 140 R N 1.402 121.734 120.500 -0.280 0.000 2.670 140 R HA -0.238 4.203 4.340 0.168 0.000 0.240 140 R C -0.847 175.263 176.300 -0.317 0.000 0.829 140 R CA 0.722 56.630 56.100 -0.318 0.000 0.606 140 R CB -1.415 28.854 30.300 -0.051 0.000 1.372 140 R HN 0.616 nan 8.270 nan 0.000 0.525 141 Q N 0.458 119.896 119.800 -0.603 0.000 2.435 141 Q HA 0.478 4.919 4.340 0.168 0.000 0.282 141 Q C -1.248 174.653 176.000 -0.165 0.000 1.020 141 Q CA -0.791 54.882 55.803 -0.217 0.000 0.820 141 Q CB 1.860 30.540 28.738 -0.096 0.000 1.436 141 Q HN 0.364 nan 8.270 nan 0.000 0.395 142 L N 3.306 124.630 121.223 0.168 0.000 2.292 142 L HA 0.451 4.892 4.340 0.168 0.000 0.284 142 L C -0.235 176.737 176.870 0.169 0.000 1.065 142 L CA -0.485 54.529 54.840 0.289 0.000 0.806 142 L CB 0.778 43.075 42.059 0.396 0.000 1.175 142 L HN 0.571 nan 8.230 nan 0.000 0.431 143 I N 2.757 123.427 120.570 0.166 0.000 2.533 143 I HA 0.012 4.283 4.170 0.168 0.000 0.284 143 I C 1.042 177.212 176.117 0.090 0.000 1.109 143 I CA 0.311 61.674 61.300 0.106 0.000 1.412 143 I CB 1.106 39.160 38.000 0.089 0.000 1.396 143 I HN 0.739 nan 8.210 nan 0.000 0.543 144 T N 0.751 115.338 114.554 0.056 0.000 3.043 144 T HA 0.144 4.595 4.350 0.168 0.000 0.272 144 T C 0.242 174.945 174.700 0.005 0.000 0.990 144 T CA -0.503 61.620 62.100 0.038 0.000 0.897 144 T CB 0.055 68.948 68.868 0.042 0.000 1.111 144 T HN 0.593 nan 8.240 nan 0.000 0.529 145 E N 1.936 122.134 120.200 -0.003 0.000 2.175 145 E HA 0.312 4.763 4.350 0.168 0.000 0.278 145 E C -0.620 175.952 176.600 -0.047 0.000 0.969 145 E CA -0.688 55.697 56.400 -0.024 0.000 0.796 145 E CB 0.983 30.673 29.700 -0.016 0.000 1.104 145 E HN 0.072 nan 8.360 nan 0.000 0.395 146 E N 1.016 121.173 120.200 -0.071 0.000 2.297 146 E HA -0.234 4.216 4.350 0.168 0.000 0.228 146 E C -0.266 176.257 176.600 -0.128 0.000 1.213 146 E CA 0.790 57.128 56.400 -0.103 0.000 0.712 146 E CB -1.507 28.139 29.700 -0.091 0.000 1.202 146 E HN 0.746 nan 8.360 nan 0.000 0.376 147 R N -0.570 119.851 120.500 -0.132 0.000 2.641 147 R HA 0.490 4.931 4.340 0.168 0.000 0.269 147 R C 0.851 176.985 176.300 -0.278 0.000 1.074 147 R CA -0.619 55.391 56.100 -0.151 0.000 1.133 147 R CB 0.573 30.820 30.300 -0.087 0.000 1.029 147 R HN 0.050 nan 8.270 nan 0.000 0.488 148 I N 2.868 123.236 120.570 -0.338 0.000 2.668 148 I HA 0.014 4.285 4.170 0.168 0.000 0.285 148 I C -1.692 174.106 176.117 -0.531 0.000 1.168 148 I CA -1.556 59.379 61.300 -0.608 0.000 1.424 148 I CB 0.282 37.917 38.000 -0.609 0.000 1.377 148 I HN 0.455 nan 8.210 nan 0.000 0.560 149 P HA -0.022 nan 4.420 nan 0.000 0.269 149 P C -0.668 176.430 177.300 -0.337 0.000 1.211 149 P CA -0.006 62.681 63.100 -0.689 0.000 0.781 149 P CB 0.365 31.172 31.700 -1.490 0.000 0.877 150 N N 2.535 121.137 118.700 -0.162 0.000 2.513 150 N HA 0.083 4.924 4.740 0.168 0.000 0.274 150 N C 0.196 175.794 175.510 0.147 0.000 1.189 150 N CA 0.063 53.084 53.050 -0.048 0.000 0.975 150 N CB -0.017 38.434 38.487 -0.060 0.000 1.157 150 N HN 0.410 nan 8.380 nan 0.000 0.465 151 N N -0.609 118.148 118.700 0.095 0.000 2.815 151 N HA -0.142 4.699 4.740 0.168 0.000 0.249 151 N C -0.896 174.778 175.510 0.273 0.000 1.114 151 N CA 0.639 53.773 53.050 0.141 0.000 0.717 151 N CB -1.706 36.858 38.487 0.128 0.000 1.074 151 N HN 0.467 nan 8.380 nan 0.000 0.555 152 T N 0.912 115.637 114.554 0.285 0.000 2.814 152 T HA 0.128 4.579 4.350 0.168 0.000 0.297 152 T C 1.726 176.582 174.700 0.261 0.000 0.956 152 T CA -0.017 62.272 62.100 0.315 0.000 1.123 152 T CB 1.176 70.104 68.868 0.100 0.000 0.902 152 T HN 0.151 nan 8.240 nan 0.000 0.528 153 Q N 2.119 122.062 119.800 0.238 0.000 2.245 153 Q HA 0.089 4.529 4.340 0.168 0.000 0.201 153 Q C 0.232 176.408 176.000 0.293 0.000 0.955 153 Q CA 0.681 56.644 55.803 0.266 0.000 0.870 153 Q CB 0.552 29.398 28.738 0.179 0.000 0.945 153 Q HN 0.682 nan 8.270 nan 0.000 0.461 154 W N -0.470 120.799 121.300 -0.052 0.000 3.464 154 W HA 0.430 5.189 4.660 0.164 0.000 0.292 154 W C -2.320 174.107 176.519 -0.153 0.000 1.262 154 W CA -0.582 56.684 57.345 -0.131 0.000 1.202 154 W CB 1.143 30.463 29.460 -0.234 0.000 1.334 154 W HN -0.364 nan 8.180 nan 0.000 0.561 155 V N 3.103 122.325 119.914 -1.153 0.000 2.888 155 V HA 0.714 4.934 4.120 0.168 0.000 0.309 155 V C -0.527 175.059 176.094 -0.848 0.000 1.114 155 V CA -0.655 61.145 62.300 -0.834 0.000 0.940 155 V CB 1.799 33.013 31.823 -1.016 0.000 1.021 155 V HN 0.502 nan 8.190 nan 0.000 0.426 156 T N 2.525 116.866 114.554 -0.355 0.000 3.193 156 T HA 0.502 4.953 4.350 0.168 0.000 0.332 156 T C -1.390 173.331 174.700 0.035 0.000 1.208 156 T CA -0.312 61.740 62.100 -0.080 0.000 1.080 156 T CB 0.744 69.794 68.868 0.304 0.000 1.180 156 T HN 0.518 nan 8.240 nan 0.000 0.469 157 W N 2.895 124.218 121.300 0.040 0.000 2.049 157 W HA 0.480 5.241 4.660 0.168 0.000 0.356 157 W C 1.314 177.614 176.519 -0.365 0.000 1.323 157 W CA -0.462 56.836 57.345 -0.079 0.000 1.336 157 W CB 0.517 29.948 29.460 -0.048 0.000 1.176 157 W HN 0.789 nan 8.180 nan 0.000 0.623 158 S N 0.310 115.760 115.700 -0.417 0.000 2.614 158 S HA 0.249 4.820 4.470 0.168 0.000 0.265 158 S C -1.951 172.395 174.600 -0.425 0.000 1.303 158 S CA -1.015 56.482 58.200 -1.172 0.000 1.000 158 S CB 1.169 63.670 63.200 -1.164 0.000 0.935 158 S HN 0.239 nan 8.310 nan 0.000 0.551 159 P HA 0.052 nan 4.420 nan 0.000 0.233 159 P C 1.128 178.386 177.300 -0.070 0.000 1.167 159 P CA 0.504 63.557 63.100 -0.079 0.000 0.770 159 P CB -0.034 31.667 31.700 0.002 0.000 0.837 160 V N -6.115 113.719 119.914 -0.133 0.000 3.251 160 V HA 0.484 4.705 4.120 0.168 0.000 0.239 160 V C 1.295 177.319 176.094 -0.117 0.000 1.332 160 V CA 0.916 63.159 62.300 -0.094 0.000 1.224 160 V CB -0.411 31.366 31.823 -0.076 0.000 1.004 160 V HN 0.030 nan 8.190 nan 0.000 0.464 161 G N 1.198 109.888 108.800 -0.183 0.000 3.374 161 G HA2 0.352 4.413 3.960 0.168 0.000 0.200 161 G HA3 0.352 4.413 3.960 0.168 0.000 0.200 161 G C 0.595 175.398 174.900 -0.163 0.000 1.801 161 G CA 0.471 45.438 45.100 -0.221 0.000 0.842 161 G HN 0.864 nan 8.290 nan 0.000 0.688 162 H N -0.547 118.513 119.070 -0.017 0.000 3.038 162 H HA 0.388 5.044 4.556 0.168 0.000 0.238 162 H C -0.506 174.986 175.328 0.273 0.000 1.246 162 H CA -0.479 55.604 56.048 0.059 0.000 0.966 162 H CB -0.141 29.672 29.762 0.085 0.000 2.394 162 H HN 0.158 nan 8.280 nan 0.000 0.633 163 K N 1.619 122.101 120.400 0.136 0.000 2.168 163 K HA 0.504 4.925 4.320 0.168 0.000 0.258 163 K C -0.431 176.284 176.600 0.192 0.000 1.010 163 K CA -0.467 55.889 56.287 0.115 0.000 0.929 163 K CB 1.900 34.323 32.500 -0.128 0.000 0.998 163 K HN 0.115 nan 8.250 nan 0.000 0.479 164 L N 0.865 122.208 121.223 0.199 0.000 2.381 164 L HA 0.583 5.023 4.340 0.168 0.000 0.268 164 L C -1.067 175.980 176.870 0.294 0.000 0.997 164 L CA -0.867 54.035 54.840 0.104 0.000 0.818 164 L CB 2.167 44.133 42.059 -0.155 0.000 1.310 164 L HN 0.749 nan 8.230 nan 0.000 0.416 165 A N 2.623 125.620 122.820 0.295 0.000 2.359 165 A HA 0.787 5.208 4.320 0.168 0.000 0.303 165 A C -1.662 175.966 177.584 0.073 0.000 1.066 165 A CA -0.363 51.770 52.037 0.160 0.000 0.730 165 A CB 1.174 20.256 19.000 0.137 0.000 1.211 165 A HN 0.623 nan 8.150 nan 0.000 0.439 166 Y N -0.192 120.085 120.300 -0.038 0.000 2.562 166 Y HA 0.760 5.410 4.550 0.167 0.000 0.345 166 Y C -1.234 174.685 175.900 0.031 0.000 1.045 166 Y CA -1.632 56.419 58.100 -0.081 0.000 1.028 166 Y CB 1.051 39.384 38.460 -0.211 0.000 1.297 166 Y HN 0.394 nan 8.280 nan 0.000 0.463 167 V N 2.516 122.575 119.914 0.241 0.000 2.459 167 V HA 0.386 4.607 4.120 0.168 0.000 0.295 167 V C -1.398 174.923 176.094 0.379 0.000 1.029 167 V CA -0.619 61.793 62.300 0.187 0.000 0.874 167 V CB 1.334 33.174 31.823 0.028 0.000 0.985 167 V HN 0.887 nan 8.190 nan 0.000 0.438 168 W N 5.124 126.530 121.300 0.176 0.000 3.132 168 W HA 0.463 5.223 4.660 0.168 0.000 0.337 168 W C 0.165 176.739 176.519 0.092 0.000 1.082 168 W CA -0.645 56.774 57.345 0.124 0.000 1.242 168 W CB 1.144 30.660 29.460 0.092 0.000 1.354 168 W HN 0.794 nan 8.180 nan 0.000 0.461 169 N N 5.551 123.901 118.700 -0.584 0.000 2.754 169 N HA -0.322 4.519 4.740 0.168 0.000 0.248 169 N C 0.196 175.543 175.510 -0.271 0.000 1.093 169 N CA 0.954 53.646 53.050 -0.598 0.000 0.699 169 N CB -1.217 36.710 38.487 -0.934 0.000 1.016 169 N HN 0.874 nan 8.380 nan 0.000 0.552 170 N N -1.858 116.739 118.700 -0.172 0.000 2.863 170 N HA -0.172 4.668 4.740 0.168 0.000 0.245 170 N C -1.254 174.187 175.510 -0.114 0.000 1.001 170 N CA 1.140 54.110 53.050 -0.133 0.000 0.901 170 N CB -0.352 38.010 38.487 -0.209 0.000 1.124 170 N HN 0.427 nan 8.380 nan 0.000 0.582 171 D N 0.465 120.815 120.400 -0.083 0.000 2.340 171 D HA 0.497 5.238 4.640 0.168 0.000 0.240 171 D C 0.163 176.330 176.300 -0.222 0.000 1.001 171 D CA -0.356 53.526 54.000 -0.196 0.000 0.888 171 D CB 1.612 42.251 40.800 -0.268 0.000 1.310 171 D HN 0.027 nan 8.370 nan 0.000 0.474 172 I N 1.527 121.800 120.570 -0.494 0.000 2.385 172 I HA 0.264 4.535 4.170 0.168 0.000 0.294 172 I C -0.715 174.948 176.117 -0.757 0.000 0.988 172 I CA -0.489 60.497 61.300 -0.523 0.000 1.265 172 I CB 0.643 38.251 38.000 -0.654 0.000 1.388 172 I HN 0.171 nan 8.210 nan 0.000 0.480 173 Y N 3.860 123.780 120.300 -0.633 0.000 2.545 173 Y HA 0.639 5.289 4.550 0.167 0.000 0.348 173 Y C -0.369 175.195 175.900 -0.560 0.000 1.002 173 Y CA -0.895 56.796 58.100 -0.682 0.000 1.039 173 Y CB 2.121 39.913 38.460 -1.114 0.000 1.271 173 Y HN 0.106 nan 8.280 nan 0.000 0.467 174 V N 2.338 122.192 119.914 -0.100 0.000 2.656 174 V HA 0.491 4.711 4.120 0.168 0.000 0.307 174 V C -0.989 175.227 176.094 0.202 0.000 1.051 174 V CA -1.459 60.880 62.300 0.063 0.000 0.893 174 V CB 2.103 33.990 31.823 0.108 0.000 0.999 174 V HN 0.615 nan 8.190 nan 0.000 0.426 175 K N 4.374 124.901 120.400 0.212 0.000 2.483 175 K HA 0.484 4.904 4.320 0.168 0.000 0.256 175 K C 0.265 176.998 176.600 0.221 0.000 0.961 175 K CA -0.722 55.680 56.287 0.193 0.000 0.873 175 K CB 1.835 34.407 32.500 0.120 0.000 1.107 175 K HN 0.408 nan 8.250 nan 0.000 0.432 176 I N 0.966 121.693 120.570 0.262 0.000 2.315 176 I HA -0.087 4.183 4.170 0.168 0.000 0.248 176 I C 0.422 176.677 176.117 0.229 0.000 1.117 176 I CA 1.489 62.926 61.300 0.228 0.000 1.404 176 I CB -0.287 37.856 38.000 0.238 0.000 1.071 176 I HN 0.550 nan 8.210 nan 0.000 0.419 177 E N -0.250 120.054 120.200 0.173 0.000 2.248 177 E HA 0.283 4.734 4.350 0.168 0.000 0.267 177 E C -1.875 174.704 176.600 -0.034 0.000 0.877 177 E CA -2.069 54.392 56.400 0.102 0.000 0.759 177 E CB 1.896 31.650 29.700 0.089 0.000 1.182 177 E HN -0.151 nan 8.360 nan 0.000 0.418 178 P HA -0.170 nan 4.420 nan 0.000 0.217 178 P C 0.787 177.999 177.300 -0.147 0.000 1.148 178 P CA 1.358 64.296 63.100 -0.269 0.000 0.828 178 P CB 0.332 31.620 31.700 -0.686 0.000 0.783 179 N N -1.710 116.925 118.700 -0.107 0.000 2.325 179 N HA 0.021 4.862 4.740 0.168 0.000 0.182 179 N C 0.250 175.740 175.510 -0.034 0.000 1.088 179 N CA 0.306 53.329 53.050 -0.044 0.000 0.879 179 N CB -0.235 38.249 38.487 -0.006 0.000 0.983 179 N HN 0.116 nan 8.380 nan 0.000 0.471 180 L N 1.264 122.469 121.223 -0.029 0.000 2.416 180 L HA 0.484 4.924 4.340 0.168 0.000 0.262 180 L C -2.072 174.757 176.870 -0.069 0.000 1.093 180 L CA -1.984 52.839 54.840 -0.029 0.000 0.801 180 L CB 0.271 42.335 42.059 0.009 0.000 1.191 180 L HN -0.125 nan 8.230 nan 0.000 0.459 181 P HA 0.145 nan 4.420 nan 0.000 0.270 181 P C -1.078 176.066 177.300 -0.260 0.000 1.223 181 P CA -0.310 62.688 63.100 -0.171 0.000 0.785 181 P CB 0.553 32.140 31.700 -0.188 0.000 0.923 182 S N 0.570 116.149 115.700 -0.201 0.000 2.608 182 S HA 0.524 5.095 4.470 0.168 0.000 0.291 182 S C -1.029 173.430 174.600 -0.235 0.000 1.146 182 S CA -0.584 57.529 58.200 -0.145 0.000 1.043 182 S CB 0.368 63.609 63.200 0.069 0.000 1.037 182 S HN 0.235 nan 8.310 nan 0.000 0.520 183 Y N 0.423 120.752 120.300 0.048 0.000 2.330 183 Y HA 0.459 5.109 4.550 0.167 0.000 0.336 183 Y C 0.926 176.758 175.900 -0.112 0.000 1.036 183 Y CA -0.846 57.261 58.100 0.011 0.000 1.125 183 Y CB 0.967 39.430 38.460 0.006 0.000 1.194 183 Y HN 0.598 nan 8.280 nan 0.000 0.469 184 R N 3.877 124.324 120.500 -0.089 0.000 2.316 184 R HA 0.181 4.621 4.340 0.168 0.000 0.314 184 R C 0.239 176.266 176.300 -0.454 0.000 1.069 184 R CA -0.034 55.658 56.100 -0.680 0.000 0.959 184 R CB 0.369 30.036 30.300 -1.055 0.000 0.987 184 R HN 0.798 nan 8.270 nan 0.000 0.446 185 I N 1.947 122.180 120.570 -0.561 0.000 2.703 185 I HA -0.027 4.244 4.170 0.168 0.000 0.259 185 I C 1.245 177.163 176.117 -0.333 0.000 1.151 185 I CA 0.953 62.044 61.300 -0.347 0.000 1.470 185 I CB -0.368 37.384 38.000 -0.412 0.000 1.112 185 I HN 0.494 nan 8.210 nan 0.000 0.437 186 T N -1.269 112.950 114.554 -0.559 0.000 2.906 186 T HA 0.379 4.829 4.350 0.168 0.000 0.295 186 T C -1.510 172.890 174.700 -0.500 0.000 1.061 186 T CA -0.347 61.529 62.100 -0.373 0.000 1.000 186 T CB 1.190 69.816 68.868 -0.403 0.000 1.103 186 T HN 0.147 nan 8.240 nan 0.000 0.486 187 W N 2.034 123.222 121.300 -0.186 0.000 2.300 187 W HA 0.278 5.039 4.660 0.169 0.000 0.366 187 W C 1.539 178.005 176.519 -0.087 0.000 0.913 187 W CA -0.356 56.916 57.345 -0.121 0.000 2.200 187 W CB 0.109 29.518 29.460 -0.085 0.000 1.182 187 W HN 0.818 nan 8.180 nan 0.000 0.586 188 T N -3.503 111.080 114.554 0.048 0.000 3.010 188 T HA 0.301 4.752 4.350 0.168 0.000 0.257 188 T C 1.229 175.924 174.700 -0.009 0.000 1.020 188 T CA 0.110 62.231 62.100 0.035 0.000 0.938 188 T CB 0.016 68.903 68.868 0.031 0.000 1.049 188 T HN 0.018 nan 8.240 nan 0.000 0.522 189 G N 1.391 110.156 108.800 -0.059 0.000 2.287 189 G HA2 0.326 4.387 3.960 0.168 0.000 0.235 189 G HA3 0.326 4.387 3.960 0.168 0.000 0.235 189 G C -0.575 174.266 174.900 -0.098 0.000 1.258 189 G CA -0.197 44.846 45.100 -0.095 0.000 0.884 189 G HN 0.578 nan 8.290 nan 0.000 0.518 190 K N 1.684 122.001 120.400 -0.140 0.000 2.606 190 K HA 0.125 4.545 4.320 0.168 0.000 0.259 190 K C -0.248 176.233 176.600 -0.198 0.000 1.001 190 K CA -0.623 55.586 56.287 -0.130 0.000 0.881 190 K CB 1.402 33.864 32.500 -0.063 0.000 1.288 190 K HN 0.660 nan 8.250 nan 0.000 0.452 191 E N 3.180 123.269 120.200 -0.186 0.000 2.765 191 E HA -0.169 4.282 4.350 0.168 0.000 0.256 191 E C -0.557 175.960 176.600 -0.139 0.000 0.935 191 E CA 1.142 57.430 56.400 -0.185 0.000 0.954 191 E CB 0.226 29.852 29.700 -0.123 0.000 0.908 191 E HN 0.622 nan 8.360 nan 0.000 0.500 192 D N 2.489 122.795 120.400 -0.157 0.000 3.077 192 D HA -0.237 4.503 4.640 0.168 0.000 0.217 192 D C 0.463 176.821 176.300 0.096 0.000 1.162 192 D CA 1.284 55.316 54.000 0.054 0.000 0.943 192 D CB -0.513 40.343 40.800 0.094 0.000 1.122 192 D HN 0.392 nan 8.370 nan 0.000 0.413 193 I N -1.221 119.323 120.570 -0.043 0.000 3.664 193 I HA 0.177 4.448 4.170 0.168 0.000 0.251 193 I C 0.770 176.970 176.117 0.138 0.000 1.134 193 I CA 0.283 61.632 61.300 0.080 0.000 1.520 193 I CB -0.230 37.790 38.000 0.033 0.000 1.638 193 I HN -0.186 nan 8.210 nan 0.000 0.431 194 I N 1.064 121.632 120.570 -0.002 0.000 2.378 194 I HA 0.257 4.528 4.170 0.168 0.000 0.291 194 I C -1.267 174.852 176.117 0.002 0.000 0.992 194 I CA -0.310 61.053 61.300 0.105 0.000 1.154 194 I CB 1.250 39.292 38.000 0.069 0.000 1.315 194 I HN -0.018 nan 8.210 nan 0.000 0.448 195 Y N 4.999 125.393 120.300 0.157 0.000 2.328 195 Y HA 0.476 5.127 4.550 0.168 0.000 0.333 195 Y C 0.055 176.026 175.900 0.120 0.000 0.958 195 Y CA -0.935 57.257 58.100 0.154 0.000 1.167 195 Y CB 0.950 39.568 38.460 0.263 0.000 1.151 195 Y HN 0.423 nan 8.280 nan 0.000 0.470 196 N N 2.236 121.010 118.700 0.122 0.000 2.446 196 N HA 0.363 5.204 4.740 0.168 0.000 0.265 196 N C 0.810 176.270 175.510 -0.084 0.000 0.975 196 N CA 0.441 53.497 53.050 0.010 0.000 0.928 196 N CB 1.835 40.230 38.487 -0.153 0.000 1.160 196 N HN 0.984 nan 8.380 nan 0.000 0.495 197 G N 1.682 110.455 108.800 -0.044 0.000 2.199 197 G HA2 -0.245 3.816 3.960 0.168 0.000 0.254 197 G HA3 -0.245 3.816 3.960 0.168 0.000 0.254 197 G C 0.107 174.863 174.900 -0.241 0.000 0.982 197 G CA 0.572 45.566 45.100 -0.178 0.000 0.632 197 G HN 0.652 nan 8.290 nan 0.000 0.529 198 I N -1.367 119.138 120.570 -0.109 0.000 2.769 198 I HA 0.768 5.039 4.170 0.168 0.000 0.298 198 I C 0.346 176.488 176.117 0.042 0.000 1.128 198 I CA -0.592 60.561 61.300 -0.245 0.000 1.031 198 I CB 1.964 39.652 38.000 -0.520 0.000 1.235 198 I HN 0.186 nan 8.210 nan 0.000 0.423 199 T N 0.213 114.722 114.554 -0.076 0.000 2.868 199 T HA 0.293 4.744 4.350 0.168 0.000 0.292 199 T C -0.054 174.439 174.700 -0.344 0.000 1.028 199 T CA -0.535 61.373 62.100 -0.321 0.000 1.059 199 T CB 1.056 69.844 68.868 -0.134 0.000 0.991 199 T HN 0.773 nan 8.240 nan 0.000 0.531 200 D N 0.193 120.131 120.400 -0.771 0.000 2.511 200 D HA 0.048 4.788 4.640 0.168 0.000 0.276 200 D C 0.976 177.188 176.300 -0.146 0.000 1.220 200 D CA -1.117 52.414 54.000 -0.780 0.000 1.077 200 D CB 0.057 40.313 40.800 -0.907 0.000 1.126 200 D HN 0.700 nan 8.370 nan 0.000 0.583 201 W N 0.067 121.310 121.300 -0.095 0.000 2.333 201 W HA -0.222 4.520 4.660 0.136 0.000 0.316 201 W C 2.179 178.590 176.519 -0.180 0.000 1.215 201 W CA 2.451 59.728 57.345 -0.113 0.000 1.278 201 W CB -0.472 28.854 29.460 -0.223 0.000 1.154 201 W HN 0.184 nan 8.180 nan 0.000 0.486 202 V N -0.111 119.871 119.914 0.113 0.000 2.427 202 V HA -0.293 3.927 4.120 0.168 0.000 0.248 202 V C 1.843 177.762 176.094 -0.292 0.000 1.051 202 V CA 2.000 64.243 62.300 -0.094 0.000 1.048 202 V CB -0.731 31.062 31.823 -0.050 0.000 0.666 202 V HN 0.311 nan 8.190 nan 0.000 0.456 203 Y N 0.484 120.596 120.300 -0.313 0.000 2.373 203 Y HA -0.109 4.541 4.550 0.167 0.000 0.293 203 Y C 2.558 178.345 175.900 -0.188 0.000 1.129 203 Y CA 1.901 59.824 58.100 -0.296 0.000 1.226 203 Y CB 0.046 38.234 38.460 -0.454 0.000 1.000 203 Y HN 0.402 nan 8.280 nan 0.000 0.549 204 E N 0.263 120.415 120.200 -0.080 0.000 2.072 204 E HA -0.244 4.207 4.350 0.168 0.000 0.190 204 E C 1.920 178.470 176.600 -0.083 0.000 0.982 204 E CA 1.343 57.734 56.400 -0.016 0.000 0.803 204 E CB 0.094 29.784 29.700 -0.017 0.000 0.755 204 E HN 0.398 nan 8.360 nan 0.000 0.453 205 E N 0.356 120.315 120.200 -0.401 0.000 2.051 205 E HA -0.124 4.327 4.350 0.168 0.000 0.189 205 E C 1.580 178.043 176.600 -0.229 0.000 0.979 205 E CA 1.286 57.431 56.400 -0.426 0.000 0.803 205 E CB 0.189 29.279 29.700 -1.016 0.000 0.761 205 E HN 0.158 nan 8.360 nan 0.000 0.451 206 E N -0.509 119.530 120.200 -0.268 0.000 2.476 206 E HA 0.057 4.507 4.350 0.168 0.000 0.199 206 E C 1.437 177.890 176.600 -0.245 0.000 1.021 206 E CA 0.532 56.824 56.400 -0.180 0.000 0.907 206 E CB 1.319 30.913 29.700 -0.178 0.000 0.974 206 E HN 0.279 nan 8.360 nan 0.000 0.489 207 V N -1.763 117.959 119.914 -0.319 0.000 3.177 207 V HA 0.118 4.339 4.120 0.168 0.000 0.219 207 V C 0.760 176.624 176.094 -0.383 0.000 1.344 207 V CA 0.155 62.188 62.300 -0.445 0.000 1.324 207 V CB -0.116 31.246 31.823 -0.768 0.000 1.165 207 V HN -0.019 nan 8.190 nan 0.000 0.510 208 F N 1.770 121.737 119.950 0.029 0.000 2.776 208 F HA 0.457 5.083 4.527 0.165 0.000 0.300 208 F C 1.635 177.410 175.800 -0.042 0.000 1.116 208 F CA 0.565 58.599 58.000 0.056 0.000 1.375 208 F CB -0.285 38.794 39.000 0.133 0.000 1.109 208 F HN 0.200 nan 8.300 nan 0.000 0.585 209 S N 0.391 116.117 115.700 0.044 0.000 3.521 209 S HA -0.032 4.539 4.470 0.168 0.000 0.362 209 S C 0.175 174.448 174.600 -0.545 0.000 1.044 209 S CA 0.487 58.585 58.200 -0.170 0.000 1.091 209 S CB -1.660 61.462 63.200 -0.129 0.000 0.908 209 S HN 0.644 nan 8.310 nan 0.000 0.473 210 A N -0.712 122.006 122.820 -0.169 0.000 2.601 210 A HA 0.719 5.140 4.320 0.168 0.000 0.291 210 A C -0.300 177.290 177.584 0.011 0.000 1.075 210 A CA -0.476 51.466 52.037 -0.159 0.000 0.671 210 A CB 0.310 19.207 19.000 -0.171 0.000 1.277 210 A HN 0.294 nan 8.150 nan 0.000 0.417 211 Y N 1.053 121.200 120.300 -0.255 0.000 2.436 211 Y HA 0.252 4.909 4.550 0.178 0.000 0.288 211 Y C 1.509 177.116 175.900 -0.488 0.000 1.112 211 Y CA 0.854 58.805 58.100 -0.248 0.000 1.220 211 Y CB -0.051 38.307 38.460 -0.170 0.000 1.073 211 Y HN 0.644 nan 8.280 nan 0.000 0.552 212 S N 0.636 115.800 115.700 -0.893 0.000 2.549 212 S HA 0.421 4.991 4.470 0.168 0.000 0.286 212 S C 0.275 174.360 174.600 -0.857 0.000 1.314 212 S CA 0.317 57.770 58.200 -1.246 0.000 1.062 212 S CB 0.266 62.509 63.200 -1.596 0.000 0.865 212 S HN 0.449 nan 8.310 nan 0.000 0.498 213 A N 4.337 126.646 122.820 -0.851 0.000 3.045 213 A HA 0.522 4.943 4.320 0.168 0.000 0.244 213 A C -0.922 176.039 177.584 -1.037 0.000 0.917 213 A CA -0.611 50.928 52.037 -0.830 0.000 1.075 213 A CB -0.324 18.578 19.000 -0.163 0.000 1.202 213 A HN 0.898 nan 8.150 nan 0.000 0.486 214 L N -5.029 115.300 121.223 -1.489 0.000 2.466 214 L HA 0.903 5.344 4.340 0.168 0.000 0.258 214 L C -1.501 174.787 176.870 -0.971 0.000 0.973 214 L CA -1.266 53.042 54.840 -0.888 0.000 0.826 214 L CB 0.996 42.792 42.059 -0.438 0.000 1.372 214 L HN 0.213 nan 8.230 nan 0.000 0.409 215 W N 1.379 122.704 121.300 0.042 0.000 2.756 215 W HA 0.356 5.115 4.660 0.166 0.000 0.333 215 W C -1.506 175.159 176.519 0.244 0.000 1.025 215 W CA -0.678 56.799 57.345 0.220 0.000 1.246 215 W CB 1.674 31.351 29.460 0.363 0.000 1.358 215 W HN 0.607 nan 8.180 nan 0.000 0.444 216 W N 2.253 123.713 121.300 0.267 0.000 2.202 216 W HA 0.253 5.013 4.660 0.166 0.000 0.332 216 W C 1.201 177.503 176.519 -0.361 0.000 1.263 216 W CA 0.325 57.692 57.345 0.035 0.000 1.223 216 W CB 0.868 30.342 29.460 0.023 0.000 1.128 216 W HN 0.167 nan 8.180 nan 0.000 0.573 217 S N 2.191 117.611 115.700 -0.466 0.000 2.603 217 S HA 0.226 4.797 4.470 0.168 0.000 0.268 217 S C -1.812 172.551 174.600 -0.395 0.000 1.317 217 S CA -1.061 56.373 58.200 -1.278 0.000 1.012 217 S CB 1.166 63.651 63.200 -1.192 0.000 0.926 217 S HN 0.281 nan 8.310 nan 0.000 0.539 218 P HA -0.231 nan 4.420 nan 0.000 0.222 218 P C 0.782 178.063 177.300 -0.032 0.000 1.157 218 P CA 2.029 65.106 63.100 -0.039 0.000 0.905 218 P CB -0.214 31.506 31.700 0.034 0.000 0.792 219 N N -2.725 115.943 118.700 -0.052 0.000 2.230 219 N HA 0.176 5.017 4.740 0.168 0.000 0.202 219 N C 0.993 176.448 175.510 -0.092 0.000 1.119 219 N CA 0.473 53.489 53.050 -0.056 0.000 0.851 219 N CB -0.580 37.885 38.487 -0.037 0.000 0.990 219 N HN 0.201 nan 8.380 nan 0.000 0.497 220 G N -0.962 107.798 108.800 -0.066 0.000 2.143 220 G HA2 -0.327 3.733 3.960 0.168 0.000 0.249 220 G HA3 -0.327 3.733 3.960 0.168 0.000 0.249 220 G C 0.883 175.846 174.900 0.105 0.000 0.981 220 G CA 0.751 45.850 45.100 -0.001 0.000 0.665 220 G HN 0.371 nan 8.290 nan 0.000 0.528 221 T N -0.203 114.312 114.554 -0.065 0.000 2.812 221 T HA 0.250 4.701 4.350 0.168 0.000 0.264 221 T C 0.735 175.249 174.700 -0.310 0.000 1.042 221 T CA 1.178 63.119 62.100 -0.264 0.000 1.140 221 T CB -0.036 68.512 68.868 -0.533 0.000 0.870 221 T HN 0.294 nan 8.240 nan 0.000 0.445 222 F N 0.513 120.485 119.950 0.037 0.000 2.450 222 F HA 0.632 5.260 4.527 0.167 0.000 0.332 222 F C -0.311 175.489 175.800 0.001 0.000 1.093 222 F CA -1.799 56.236 58.000 0.059 0.000 1.003 222 F CB 1.277 40.386 39.000 0.182 0.000 1.151 222 F HN -0.129 nan 8.300 nan 0.000 0.474 223 L N 3.086 124.401 121.223 0.153 0.000 2.342 223 L HA 0.812 5.253 4.340 0.168 0.000 0.276 223 L C -0.636 176.296 176.870 0.103 0.000 0.997 223 L CA -0.606 54.134 54.840 -0.167 0.000 0.838 223 L CB 0.627 42.308 42.059 -0.630 0.000 1.224 223 L HN 0.657 nan 8.230 nan 0.000 0.416 224 A N 4.826 127.798 122.820 0.255 0.000 2.303 224 A HA 0.786 5.207 4.320 0.168 0.000 0.317 224 A C -1.377 176.293 177.584 0.143 0.000 1.149 224 A CA -0.244 51.863 52.037 0.116 0.000 0.822 224 A CB 0.564 19.732 19.000 0.280 0.000 1.131 224 A HN 0.888 nan 8.150 nan 0.000 0.493 225 Y N -1.690 118.400 120.300 -0.350 0.000 2.609 225 Y HA 0.756 5.406 4.550 0.167 0.000 0.336 225 Y C -0.364 175.364 175.900 -0.287 0.000 1.129 225 Y CA -0.959 57.023 58.100 -0.196 0.000 1.040 225 Y CB 0.823 39.149 38.460 -0.223 0.000 1.310 225 Y HN 0.933 nan 8.280 nan 0.000 0.460 226 A N 2.076 124.933 122.820 0.063 0.000 2.320 226 A HA 0.710 5.130 4.320 0.168 0.000 0.334 226 A C -1.198 176.287 177.584 -0.165 0.000 1.147 226 A CA -0.857 51.097 52.037 -0.137 0.000 0.820 226 A CB 1.756 20.668 19.000 -0.146 0.000 1.218 226 A HN 0.823 nan 8.150 nan 0.000 0.482 227 Q N 1.089 120.703 119.800 -0.310 0.000 2.310 227 Q HA 0.584 5.025 4.340 0.168 0.000 0.270 227 Q C -2.076 173.697 176.000 -0.378 0.000 1.025 227 Q CA -0.347 55.381 55.803 -0.125 0.000 0.772 227 Q CB 1.027 29.900 28.738 0.226 0.000 1.253 227 Q HN 0.589 nan 8.270 nan 0.000 0.450 228 F N 2.343 122.388 119.950 0.158 0.000 2.443 228 F HA 0.431 5.063 4.527 0.175 0.000 0.335 228 F C 0.463 176.408 175.800 0.241 0.000 1.104 228 F CA -0.852 57.218 58.000 0.118 0.000 1.013 228 F CB 1.358 40.329 39.000 -0.048 0.000 1.136 228 F HN 0.446 nan 8.300 nan 0.000 0.470 229 N N 1.783 120.697 118.700 0.357 0.000 2.483 229 N HA 0.227 5.067 4.740 0.168 0.000 0.267 229 N C -0.916 174.768 175.510 0.289 0.000 0.998 229 N CA -0.371 52.856 53.050 0.296 0.000 0.918 229 N CB 1.112 39.718 38.487 0.199 0.000 1.215 229 N HN 0.526 nan 8.380 nan 0.000 0.500 230 D N 1.438 122.031 120.400 0.323 0.000 2.402 230 D HA 0.130 4.871 4.640 0.168 0.000 0.216 230 D C 1.200 177.620 176.300 0.200 0.000 1.128 230 D CA 0.150 54.315 54.000 0.276 0.000 0.833 230 D CB 0.515 41.531 40.800 0.361 0.000 0.971 230 D HN 0.489 nan 8.370 nan 0.000 0.503 231 T N 0.554 115.208 114.554 0.167 0.000 2.624 231 T HA -0.248 4.203 4.350 0.168 0.000 0.266 231 T C 1.285 176.045 174.700 0.099 0.000 1.050 231 T CA 1.463 63.634 62.100 0.118 0.000 1.163 231 T CB -0.100 68.827 68.868 0.098 0.000 0.861 231 T HN 0.323 nan 8.240 nan 0.000 0.443 232 E N 0.312 120.570 120.200 0.098 0.000 2.465 232 E HA 0.193 4.644 4.350 0.168 0.000 0.195 232 E C -0.550 176.102 176.600 0.087 0.000 1.028 232 E CA -0.268 56.181 56.400 0.080 0.000 0.899 232 E CB 0.553 30.293 29.700 0.067 0.000 1.032 232 E HN 0.209 nan 8.360 nan 0.000 0.468 233 V N 3.366 123.346 119.914 0.110 0.000 2.455 233 V HA 0.123 4.344 4.120 0.168 0.000 0.273 233 V C -1.987 174.168 176.094 0.102 0.000 1.045 233 V CA -1.708 60.661 62.300 0.115 0.000 0.976 233 V CB 0.445 32.355 31.823 0.145 0.000 0.993 233 V HN 0.045 nan 8.190 nan 0.000 0.475 234 P HA 0.165 nan 4.420 nan 0.000 0.269 234 P C -0.744 176.601 177.300 0.075 0.000 1.217 234 P CA -0.038 63.105 63.100 0.072 0.000 0.783 234 P CB 0.452 32.195 31.700 0.071 0.000 0.898 235 L N 1.994 123.239 121.223 0.036 0.000 2.322 235 L HA 0.475 4.915 4.340 0.168 0.000 0.281 235 L C 0.212 177.045 176.870 -0.061 0.000 1.014 235 L CA -1.051 53.793 54.840 0.008 0.000 0.815 235 L CB 1.294 43.351 42.059 -0.004 0.000 1.247 235 L HN 0.284 nan 8.230 nan 0.000 0.421 236 I N 2.543 123.033 120.570 -0.134 0.000 2.428 236 I HA 0.243 4.514 4.170 0.168 0.000 0.289 236 I C -0.334 175.649 176.117 -0.223 0.000 1.019 236 I CA 0.284 61.411 61.300 -0.290 0.000 1.351 236 I CB 0.851 38.431 38.000 -0.700 0.000 1.412 236 I HN 0.577 nan 8.210 nan 0.000 0.513 237 E N 7.421 127.510 120.200 -0.185 0.000 2.234 237 E HA 0.500 4.951 4.350 0.168 0.000 0.266 237 E C -1.788 174.758 176.600 -0.089 0.000 0.877 237 E CA -0.593 55.696 56.400 -0.185 0.000 0.758 237 E CB 1.986 31.602 29.700 -0.139 0.000 1.170 237 E HN 0.569 nan 8.360 nan 0.000 0.415 238 Y N -1.659 118.552 120.300 -0.149 0.000 2.597 238 Y HA 0.558 5.216 4.550 0.180 0.000 0.340 238 Y C -0.622 175.206 175.900 -0.119 0.000 1.097 238 Y CA -1.280 56.739 58.100 -0.136 0.000 1.037 238 Y CB 0.884 39.268 38.460 -0.127 0.000 1.305 238 Y HN 0.210 nan 8.280 nan 0.000 0.463 239 S N 1.928 117.619 115.700 -0.015 0.000 2.580 239 S HA 0.476 5.047 4.470 0.168 0.000 0.274 239 S C -1.384 173.085 174.600 -0.219 0.000 1.329 239 S CA -0.341 57.711 58.200 -0.246 0.000 1.036 239 S CB 0.417 63.324 63.200 -0.489 0.000 0.919 239 S HN 0.550 nan 8.310 nan 0.000 0.515 240 F N 2.049 121.733 119.950 -0.443 0.000 2.536 240 F HA 0.425 5.046 4.527 0.157 0.000 0.322 240 F C -0.348 175.213 175.800 -0.399 0.000 1.144 240 F CA -0.846 57.000 58.000 -0.256 0.000 0.924 240 F CB 0.836 39.797 39.000 -0.065 0.000 1.181 240 F HN 0.642 nan 8.300 nan 0.000 0.438 241 Y N 2.795 122.926 120.300 -0.282 0.000 2.365 241 Y HA 0.128 4.775 4.550 0.163 0.000 0.293 241 Y C 1.705 177.574 175.900 -0.052 0.000 1.119 241 Y CA 1.111 59.129 58.100 -0.137 0.000 1.203 241 Y CB -0.594 37.760 38.460 -0.175 0.000 1.026 241 Y HN 0.737 nan 8.280 nan 0.000 0.549 242 S N -0.295 115.392 115.700 -0.022 0.000 3.513 242 S HA -0.218 4.352 4.470 0.168 0.000 0.636 242 S C -0.637 174.033 174.600 0.117 0.000 2.452 242 S CA 0.158 58.479 58.200 0.201 0.000 2.644 242 S CB -1.193 62.200 63.200 0.321 0.000 0.331 242 S HN 0.453 nan 8.310 nan 0.000 1.787 243 D N 1.664 122.141 120.400 0.128 0.000 2.423 243 D HA 0.135 4.876 4.640 0.168 0.000 0.238 243 D C 1.412 177.750 176.300 0.064 0.000 1.142 243 D CA 0.458 54.508 54.000 0.082 0.000 0.884 243 D CB 0.340 41.186 40.800 0.076 0.000 1.199 243 D HN 0.609 nan 8.370 nan 0.000 0.438 244 E N 0.987 121.211 120.200 0.041 0.000 2.197 244 E HA -0.296 4.155 4.350 0.168 0.000 0.205 244 E C 1.635 178.252 176.600 0.027 0.000 1.029 244 E CA 1.772 58.187 56.400 0.025 0.000 0.828 244 E CB 0.132 29.840 29.700 0.012 0.000 0.737 244 E HN 0.496 nan 8.360 nan 0.000 0.464 245 S N 0.176 115.896 115.700 0.034 0.000 2.419 245 S HA -0.123 4.448 4.470 0.168 0.000 0.233 245 S C 1.200 175.826 174.600 0.043 0.000 1.016 245 S CA 0.187 58.407 58.200 0.033 0.000 0.974 245 S CB -0.277 62.944 63.200 0.035 0.000 0.786 245 S HN 0.284 nan 8.310 nan 0.000 0.492 246 L N 2.388 123.647 121.223 0.059 0.000 2.500 246 L HA 0.093 4.534 4.340 0.168 0.000 0.272 246 L C 1.625 178.531 176.870 0.059 0.000 1.149 246 L CA 0.085 54.970 54.840 0.075 0.000 0.897 246 L CB 0.792 42.910 42.059 0.099 0.000 1.178 246 L HN 0.457 nan 8.230 nan 0.000 0.473 247 Q N 4.140 123.981 119.800 0.067 0.000 2.046 247 Q HA -0.115 4.326 4.340 0.168 0.000 0.200 247 Q C -0.546 175.397 176.000 -0.095 0.000 0.975 247 Q CA 1.461 57.262 55.803 -0.004 0.000 0.836 247 Q CB 0.164 28.936 28.738 0.055 0.000 0.896 247 Q HN 0.602 nan 8.270 nan 0.000 0.428 248 Y N 0.616 120.924 120.300 0.014 0.000 2.331 248 Y HA 0.369 5.019 4.550 0.167 0.000 0.338 248 Y C -2.038 173.862 175.900 -0.001 0.000 0.992 248 Y CA -2.956 55.147 58.100 0.005 0.000 1.121 248 Y CB 1.228 39.683 38.460 -0.008 0.000 1.184 248 Y HN 0.167 nan 8.280 nan 0.000 0.469 249 P HA 0.034 nan 4.420 nan 0.000 0.267 249 P C -0.925 176.370 177.300 -0.009 0.000 1.200 249 P CA -0.451 62.644 63.100 -0.008 0.000 0.772 249 P CB 0.520 32.141 31.700 -0.133 0.000 0.855 250 K N 0.436 120.821 120.400 -0.025 0.000 2.110 250 K HA 0.494 4.915 4.320 0.168 0.000 0.263 250 K C -0.852 175.696 176.600 -0.087 0.000 0.975 250 K CA -0.561 55.709 56.287 -0.029 0.000 0.895 250 K CB 0.719 33.217 32.500 -0.002 0.000 1.060 250 K HN 0.192 nan 8.250 nan 0.000 0.448 251 T N 2.598 117.087 114.554 -0.108 0.000 2.744 251 T HA 0.226 4.676 4.350 0.168 0.000 0.291 251 T C -0.483 174.089 174.700 -0.214 0.000 0.957 251 T CA -0.660 61.344 62.100 -0.160 0.000 1.002 251 T CB 0.951 69.741 68.868 -0.130 0.000 0.919 251 T HN 0.391 nan 8.240 nan 0.000 0.468 252 V N 6.324 126.018 119.914 -0.367 0.000 2.509 252 V HA 0.557 4.777 4.120 0.168 0.000 0.284 252 V C 0.212 176.022 176.094 -0.474 0.000 1.047 252 V CA -0.769 61.257 62.300 -0.457 0.000 0.952 252 V CB 0.856 32.253 31.823 -0.709 0.000 0.988 252 V HN 0.767 nan 8.190 nan 0.000 0.469 253 R N 4.181 124.531 120.500 -0.250 0.000 2.574 253 R HA 0.801 5.242 4.340 0.168 0.000 0.288 253 R C -1.449 174.827 176.300 -0.040 0.000 1.004 253 R CA -0.635 55.367 56.100 -0.165 0.000 0.895 253 R CB 1.729 31.965 30.300 -0.107 0.000 1.191 253 R HN 0.523 nan 8.270 nan 0.000 0.444 254 V N 0.730 120.633 119.914 -0.019 0.000 2.841 254 V HA 0.558 4.779 4.120 0.168 0.000 0.310 254 V C -2.799 173.355 176.094 0.100 0.000 1.090 254 V CA -2.481 59.879 62.300 0.101 0.000 0.930 254 V CB 2.769 34.679 31.823 0.146 0.000 1.014 254 V HN 0.556 nan 8.190 nan 0.000 0.425 255 P HA 0.207 nan 4.420 nan 0.000 0.261 255 P C -1.755 175.656 177.300 0.185 0.000 1.203 255 P CA 0.672 63.886 63.100 0.188 0.000 0.767 255 P CB -0.339 31.516 31.700 0.259 0.000 0.785 256 Y N 6.590 126.876 120.300 -0.024 0.000 2.301 256 Y HA 0.367 5.011 4.550 0.156 0.000 0.325 256 Y C -2.721 173.162 175.900 -0.029 0.000 1.103 256 Y CA -2.846 55.192 58.100 -0.103 0.000 1.182 256 Y CB 1.748 40.025 38.460 -0.305 0.000 1.139 256 Y HN 0.286 nan 8.280 nan 0.000 0.443 257 P HA 0.255 nan 4.420 nan 0.000 0.287 257 P C -0.957 176.395 177.300 0.088 0.000 1.307 257 P CA -0.211 62.933 63.100 0.074 0.000 0.777 257 P CB 1.555 33.283 31.700 0.048 0.000 0.883 258 K N 1.987 122.525 120.400 0.229 0.000 2.098 258 K HA 0.530 4.951 4.320 0.168 0.000 0.244 258 K C 0.509 177.211 176.600 0.170 0.000 1.014 258 K CA -0.780 55.663 56.287 0.259 0.000 0.917 258 K CB 0.613 33.278 32.500 0.274 0.000 1.072 258 K HN 0.456 nan 8.250 nan 0.000 0.477 259 A N 0.641 123.582 122.820 0.202 0.000 2.580 259 A HA 0.240 4.661 4.320 0.168 0.000 0.244 259 A C 1.222 178.842 177.584 0.060 0.000 1.045 259 A CA 1.106 53.246 52.037 0.171 0.000 0.761 259 A CB -1.255 17.910 19.000 0.274 0.000 0.962 259 A HN 0.910 nan 8.150 nan 0.000 0.512 260 G N 0.980 109.807 108.800 0.046 0.000 2.212 260 G HA2 0.070 4.131 3.960 0.168 0.000 0.266 260 G HA3 0.070 4.131 3.960 0.168 0.000 0.266 260 G C 0.733 175.647 174.900 0.023 0.000 0.978 260 G CA 0.958 46.060 45.100 0.004 0.000 0.632 260 G HN 2.226 nan 8.290 nan 0.000 0.537 261 A N -0.364 122.487 122.820 0.051 0.000 2.280 261 A HA 0.736 5.157 4.320 0.168 0.000 0.268 261 A C 0.918 178.535 177.584 0.057 0.000 1.111 261 A CA 0.324 52.395 52.037 0.057 0.000 0.814 261 A CB 0.575 19.624 19.000 0.082 0.000 1.093 261 A HN 1.194 nan 8.150 nan 0.000 0.498 262 V N 2.107 122.055 119.914 0.057 0.000 2.655 262 V HA 0.041 4.262 4.120 0.168 0.000 0.300 262 V C 0.398 176.538 176.094 0.077 0.000 1.044 262 V CA -0.067 62.267 62.300 0.057 0.000 1.095 262 V CB -0.048 31.809 31.823 0.058 0.000 0.952 262 V HN 0.806 nan 8.190 nan 0.000 0.485 263 N N 5.146 123.890 118.700 0.074 0.000 2.477 263 N HA 0.535 5.376 4.740 0.168 0.000 0.284 263 N C -2.451 173.143 175.510 0.140 0.000 1.182 263 N CA -1.523 51.594 53.050 0.112 0.000 0.949 263 N CB 1.549 40.096 38.487 0.099 0.000 1.204 263 N HN 0.419 nan 8.380 nan 0.000 0.526 264 P HA 0.145 nan 4.420 nan 0.000 0.277 264 P C -0.481 176.975 177.300 0.260 0.000 1.240 264 P CA -0.201 63.055 63.100 0.260 0.000 0.798 264 P CB 0.528 32.429 31.700 0.335 0.000 0.979 265 T N -1.497 113.184 114.554 0.211 0.000 2.912 265 T HA 0.578 5.029 4.350 0.168 0.000 0.280 265 T C -0.160 174.654 174.700 0.190 0.000 0.989 265 T CA -0.784 61.399 62.100 0.139 0.000 0.995 265 T CB 1.390 70.311 68.868 0.088 0.000 1.077 265 T HN 0.352 nan 8.240 nan 0.000 0.531 266 V N 0.127 120.125 119.914 0.140 0.000 2.971 266 V HA 0.754 4.974 4.120 0.168 0.000 0.309 266 V C -1.593 174.568 176.094 0.113 0.000 1.130 266 V CA -0.879 61.455 62.300 0.056 0.000 0.964 266 V CB 2.154 34.042 31.823 0.107 0.000 1.029 266 V HN 1.059 nan 8.190 nan 0.000 0.427 267 K N 4.101 124.492 120.400 -0.016 0.000 2.477 267 K HA 0.572 4.992 4.320 0.168 0.000 0.255 267 K C -2.007 174.479 176.600 -0.190 0.000 0.952 267 K CA -0.498 55.754 56.287 -0.058 0.000 0.826 267 K CB 2.838 35.294 32.500 -0.073 0.000 1.331 267 K HN 0.555 nan 8.250 nan 0.000 0.437 268 F N 2.298 121.920 119.950 -0.547 0.000 2.507 268 F HA 0.570 5.196 4.527 0.166 0.000 0.325 268 F C -1.477 173.751 175.800 -0.952 0.000 1.116 268 F CA -0.618 57.044 58.000 -0.565 0.000 0.930 268 F CB 0.851 39.664 39.000 -0.312 0.000 1.146 268 F HN 0.379 nan 8.300 nan 0.000 0.447 269 F N 3.895 123.111 119.950 -1.224 0.000 2.603 269 F HA 0.762 5.389 4.527 0.167 0.000 0.317 269 F C -0.995 174.198 175.800 -1.011 0.000 1.066 269 F CA -1.262 56.148 58.000 -0.983 0.000 0.941 269 F CB 2.069 40.418 39.000 -1.084 0.000 1.291 269 F HN 0.098 nan 8.300 nan 0.000 0.472 270 V N 2.562 122.291 119.914 -0.309 0.000 2.569 270 V HA 0.560 4.781 4.120 0.168 0.000 0.301 270 V C -1.064 175.109 176.094 0.132 0.000 1.044 270 V CA -0.765 61.420 62.300 -0.192 0.000 0.874 270 V CB 1.787 33.269 31.823 -0.568 0.000 1.002 270 V HN 0.633 nan 8.190 nan 0.000 0.424 271 V N 4.471 124.526 119.914 0.235 0.000 2.715 271 V HA 0.557 4.778 4.120 0.168 0.000 0.310 271 V C -0.160 176.141 176.094 0.345 0.000 1.054 271 V CA -0.642 61.820 62.300 0.270 0.000 0.928 271 V CB 2.122 34.052 31.823 0.179 0.000 1.007 271 V HN 1.000 nan 8.190 nan 0.000 0.437 272 N N 2.475 121.356 118.700 0.301 0.000 2.439 272 N HA 0.215 5.056 4.740 0.168 0.000 0.249 272 N C 0.985 176.508 175.510 0.021 0.000 1.003 272 N CA 0.204 53.355 53.050 0.168 0.000 0.942 272 N CB 1.235 39.805 38.487 0.139 0.000 1.115 272 N HN 0.869 nan 8.380 nan 0.000 0.505 273 T N -0.254 114.297 114.554 -0.005 0.000 3.163 273 T HA 0.010 4.461 4.350 0.168 0.000 0.260 273 T C 0.298 174.972 174.700 -0.042 0.000 1.156 273 T CA 0.530 62.636 62.100 0.010 0.000 1.072 273 T CB 0.047 69.026 68.868 0.185 0.000 0.937 273 T HN 0.430 nan 8.240 nan 0.000 0.528 274 D N 1.050 121.399 120.400 -0.084 0.000 2.398 274 D HA 0.106 4.847 4.640 0.168 0.000 0.210 274 D C 1.685 177.937 176.300 -0.079 0.000 1.094 274 D CA 0.455 54.404 54.000 -0.085 0.000 0.839 274 D CB 0.532 41.272 40.800 -0.101 0.000 0.963 274 D HN 0.627 nan 8.370 nan 0.000 0.506 275 S N 0.194 115.850 115.700 -0.073 0.000 2.554 275 S HA 0.126 4.697 4.470 0.168 0.000 0.226 275 S C 0.868 175.417 174.600 -0.085 0.000 0.980 275 S CA -0.637 57.536 58.200 -0.045 0.000 0.939 275 S CB -0.397 62.811 63.200 0.013 0.000 0.832 275 S HN 0.235 nan 8.310 nan 0.000 0.486 276 L N 1.429 122.536 121.223 -0.193 0.000 2.312 276 L HA 0.825 5.266 4.340 0.168 0.000 0.281 276 L C -0.266 176.346 176.870 -0.430 0.000 1.070 276 L CA -0.584 54.060 54.840 -0.327 0.000 0.805 276 L CB 1.354 43.110 42.059 -0.505 0.000 1.174 276 L HN 0.256 nan 8.230 nan 0.000 0.434 277 S N 1.144 116.732 115.700 -0.187 0.000 2.806 277 S HA 0.478 5.049 4.470 0.168 0.000 0.315 277 S C 0.828 175.639 174.600 0.351 0.000 1.127 277 S CA -0.056 58.175 58.200 0.051 0.000 0.918 277 S CB 1.488 64.728 63.200 0.066 0.000 1.240 277 S HN 0.832 nan 8.310 nan 0.000 0.552 278 S N 0.016 115.935 115.700 0.366 0.000 2.388 278 S HA -0.027 4.544 4.470 0.168 0.000 0.223 278 S C 1.726 176.439 174.600 0.188 0.000 1.034 278 S CA 0.944 59.319 58.200 0.292 0.000 0.963 278 S CB -1.053 62.246 63.200 0.166 0.000 0.827 278 S HN 0.558 nan 8.310 nan 0.000 0.481 279 V N 2.222 122.217 119.914 0.135 0.000 2.283 279 V HA -0.019 4.202 4.120 0.168 0.000 0.243 279 V C 1.328 177.472 176.094 0.084 0.000 1.039 279 V CA 1.597 63.953 62.300 0.092 0.000 1.016 279 V CB -1.237 30.625 31.823 0.065 0.000 0.650 279 V HN 0.537 nan 8.190 nan 0.000 0.449 280 T N 1.064 115.667 114.554 0.082 0.000 2.909 280 T HA 0.236 4.687 4.350 0.168 0.000 0.289 280 T C 0.023 174.776 174.700 0.088 0.000 1.005 280 T CA -0.417 61.720 62.100 0.062 0.000 1.084 280 T CB 0.545 69.439 68.868 0.044 0.000 0.975 280 T HN 0.188 nan 8.240 nan 0.000 0.509 281 N N 1.797 120.536 118.700 0.065 0.000 2.488 281 N HA 0.375 5.216 4.740 0.168 0.000 0.274 281 N C 0.152 175.714 175.510 0.088 0.000 1.111 281 N CA -0.227 52.888 53.050 0.107 0.000 0.974 281 N CB 1.086 39.589 38.487 0.025 0.000 1.089 281 N HN 0.818 nan 8.380 nan 0.000 0.465 282 A N 2.217 125.098 122.820 0.102 0.000 2.555 282 A HA 0.165 4.586 4.320 0.168 0.000 0.233 282 A C 0.278 177.906 177.584 0.073 0.000 1.060 282 A CA 0.332 52.404 52.037 0.058 0.000 0.759 282 A CB 0.028 19.044 19.000 0.026 0.000 0.995 282 A HN 0.557 nan 8.150 nan 0.000 0.506 283 T N 2.281 116.885 114.554 0.082 0.000 2.771 283 T HA 0.475 4.925 4.350 0.168 0.000 0.281 283 T C -0.083 174.702 174.700 0.140 0.000 0.982 283 T CA -0.152 62.009 62.100 0.102 0.000 0.978 283 T CB 1.028 69.961 68.868 0.109 0.000 0.930 283 T HN 0.534 nan 8.240 nan 0.000 0.447 284 S N 2.872 118.654 115.700 0.136 0.000 2.433 284 S HA 0.487 5.057 4.470 0.168 0.000 0.310 284 S C -0.107 174.650 174.600 0.263 0.000 1.097 284 S CA -0.677 57.636 58.200 0.188 0.000 1.103 284 S CB 0.260 63.528 63.200 0.113 0.000 0.992 284 S HN 0.463 nan 8.310 nan 0.000 0.469 285 I N 3.309 124.047 120.570 0.279 0.000 2.325 285 I HA 0.245 4.516 4.170 0.168 0.000 0.291 285 I C 0.529 176.765 176.117 0.199 0.000 1.019 285 I CA -0.035 61.432 61.300 0.279 0.000 1.302 285 I CB 0.927 39.161 38.000 0.389 0.000 1.401 285 I HN 0.589 nan 8.210 nan 0.000 0.485 286 Q N 6.422 126.312 119.800 0.151 0.000 2.299 286 Q HA 0.523 4.964 4.340 0.168 0.000 0.246 286 Q C -1.050 174.884 176.000 -0.110 0.000 0.935 286 Q CA -0.364 55.322 55.803 -0.195 0.000 0.887 286 Q CB 1.036 29.591 28.738 -0.304 0.000 1.223 286 Q HN 0.603 nan 8.270 nan 0.000 0.439 287 I N 4.439 124.930 120.570 -0.131 0.000 2.405 287 I HA 0.189 4.460 4.170 0.168 0.000 0.280 287 I C 0.573 176.675 176.117 -0.025 0.000 1.027 287 I CA -0.532 60.763 61.300 -0.008 0.000 1.161 287 I CB 1.316 39.348 38.000 0.054 0.000 1.300 287 I HN 0.826 nan 8.210 nan 0.000 0.463 288 T N 3.271 117.765 114.554 -0.100 0.000 2.994 288 T HA 0.765 5.216 4.350 0.168 0.000 0.322 288 T C 0.917 175.395 174.700 -0.370 0.000 1.199 288 T CA 0.316 62.296 62.100 -0.200 0.000 0.945 288 T CB 0.998 69.765 68.868 -0.168 0.000 1.754 288 T HN 0.862 nan 8.240 nan 0.000 0.571 289 A N 0.678 123.227 122.820 -0.453 0.000 6.182 289 A HA -0.048 4.373 4.320 0.168 0.000 0.285 289 A C -2.437 174.532 177.584 -1.025 0.000 1.979 289 A CA 0.228 51.928 52.037 -0.560 0.000 0.740 289 A CB -2.833 15.960 19.000 -0.346 0.000 1.172 289 A HN 0.878 nan 8.150 nan 0.000 0.388 290 P HA 0.422 nan 4.420 nan 0.000 0.271 290 P C 0.916 177.994 177.300 -0.369 0.000 1.218 290 P CA 0.670 63.507 63.100 -0.438 0.000 0.780 290 P CB 0.698 32.215 31.700 -0.305 0.000 0.901 291 A N 2.817 125.493 122.820 -0.240 0.000 1.948 291 A HA -0.223 4.198 4.320 0.168 0.000 0.220 291 A C 2.070 179.552 177.584 -0.170 0.000 1.177 291 A CA 2.462 54.386 52.037 -0.188 0.000 0.636 291 A CB -1.826 17.098 19.000 -0.128 0.000 0.815 291 A HN 0.620 nan 8.150 nan 0.000 0.449 292 S N -2.052 113.567 115.700 -0.134 0.000 2.500 292 S HA -0.071 4.500 4.470 0.168 0.000 0.239 292 S C 1.602 176.132 174.600 -0.115 0.000 0.989 292 S CA 1.702 59.848 58.200 -0.091 0.000 0.951 292 S CB -0.230 62.983 63.200 0.020 0.000 0.759 292 S HN 0.428 nan 8.310 nan 0.000 0.523 293 M N 0.703 120.173 119.600 -0.216 0.000 2.691 293 M HA 0.474 5.055 4.480 0.168 0.000 0.261 293 M C 1.585 177.670 176.300 -0.357 0.000 1.227 293 M CA 0.819 55.941 55.300 -0.298 0.000 1.197 293 M CB -0.212 32.075 32.600 -0.523 0.000 1.294 293 M HN 0.210 nan 8.290 nan 0.000 0.508 294 L N 0.850 121.836 121.223 -0.395 0.000 2.447 294 L HA -0.156 4.284 4.340 0.168 0.000 0.225 294 L C 2.082 178.899 176.870 -0.089 0.000 1.148 294 L CA 0.810 55.506 54.840 -0.240 0.000 0.808 294 L CB -1.113 40.812 42.059 -0.224 0.000 0.928 294 L HN 0.451 nan 8.230 nan 0.000 0.448 295 I N -2.695 117.818 120.570 -0.096 0.000 2.567 295 I HA 0.045 4.316 4.170 0.168 0.000 0.257 295 I C 1.143 177.243 176.117 -0.029 0.000 1.184 295 I CA 0.948 62.210 61.300 -0.063 0.000 1.451 295 I CB -0.458 37.494 38.000 -0.080 0.000 1.089 295 I HN 0.110 nan 8.210 nan 0.000 0.441 296 G N -0.027 108.776 108.800 0.004 0.000 2.731 296 G HA2 0.277 4.337 3.960 0.168 0.000 0.309 296 G HA3 0.277 4.337 3.960 0.168 0.000 0.309 296 G C -1.789 173.154 174.900 0.072 0.000 1.273 296 G CA -0.523 44.588 45.100 0.018 0.000 0.798 296 G HN 0.036 nan 8.290 nan 0.000 0.509 297 D N 1.127 121.523 120.400 -0.006 0.000 2.399 297 D HA 0.454 5.195 4.640 0.168 0.000 0.241 297 D C 0.297 176.540 176.300 -0.096 0.000 1.133 297 D CA 0.603 54.541 54.000 -0.102 0.000 0.890 297 D CB 0.560 41.267 40.800 -0.155 0.000 1.201 297 D HN 0.553 nan 8.370 nan 0.000 0.432 298 H N -1.027 117.904 119.070 -0.231 0.000 2.948 298 H HA 0.435 5.092 4.556 0.168 0.000 0.315 298 H C -1.444 173.752 175.328 -0.220 0.000 1.360 298 H CA -0.790 55.135 56.048 -0.205 0.000 1.125 298 H CB 0.370 30.146 29.762 0.024 0.000 1.844 298 H HN 0.306 nan 8.280 nan 0.000 0.529 299 Y N -0.015 120.527 120.300 0.403 0.000 2.553 299 Y HA 0.406 5.060 4.550 0.172 0.000 0.347 299 Y C -0.501 175.663 175.900 0.439 0.000 1.019 299 Y CA -1.123 57.204 58.100 0.378 0.000 1.032 299 Y CB 2.055 40.575 38.460 0.100 0.000 1.284 299 Y HN 0.494 nan 8.280 nan 0.000 0.466 300 L N 3.065 124.613 121.223 0.542 0.000 2.257 300 L HA 0.419 4.860 4.340 0.168 0.000 0.290 300 L C 0.395 177.321 176.870 0.093 0.000 1.044 300 L CA -0.301 54.505 54.840 -0.055 0.000 0.810 300 L CB 0.423 42.368 42.059 -0.191 0.000 1.193 300 L HN 0.978 nan 8.230 nan 0.000 0.425 301 C N 1.414 120.643 119.300 -0.118 0.000 3.183 301 C HA 0.531 5.091 4.460 0.168 0.000 0.285 301 C C 0.147 175.052 174.990 -0.141 0.000 1.313 301 C CA -0.424 58.477 59.018 -0.194 0.000 1.711 301 C CB -0.895 26.767 27.740 -0.130 0.000 2.135 301 C HN 0.859 nan 8.230 nan 0.000 0.651 302 D N -0.009 120.319 120.400 -0.120 0.000 2.734 302 D HA 0.333 5.074 4.640 0.168 0.000 0.224 302 D C -1.853 174.205 176.300 -0.403 0.000 1.222 302 D CA 0.113 54.048 54.000 -0.109 0.000 0.761 302 D CB 2.437 43.155 40.800 -0.137 0.000 1.569 302 D HN 0.368 nan 8.370 nan 0.000 0.477 303 V N 1.437 121.032 119.914 -0.533 0.000 2.668 303 V HA 0.803 5.023 4.120 0.168 0.000 0.304 303 V C -1.644 174.069 176.094 -0.635 0.000 1.071 303 V CA 0.081 61.864 62.300 -0.862 0.000 0.894 303 V CB 1.866 32.799 31.823 -1.483 0.000 1.008 303 V HN 0.595 nan 8.190 nan 0.000 0.425 304 T N 6.417 120.688 114.554 -0.472 0.000 3.011 304 T HA 0.418 4.869 4.350 0.168 0.000 0.303 304 T C -1.119 173.445 174.700 -0.227 0.000 0.997 304 T CA -0.171 61.806 62.100 -0.204 0.000 1.007 304 T CB 0.939 69.760 68.868 -0.077 0.000 1.017 304 T HN 0.773 nan 8.240 nan 0.000 0.443 305 W N 2.118 123.353 121.300 -0.109 0.000 2.216 305 W HA 0.500 5.260 4.660 0.166 0.000 0.326 305 W C 1.125 177.493 176.519 -0.253 0.000 1.319 305 W CA -0.294 56.974 57.345 -0.127 0.000 1.213 305 W CB 0.596 30.068 29.460 0.021 0.000 1.171 305 W HN 0.846 nan 8.180 nan 0.000 0.557 306 A N 1.891 124.546 122.820 -0.274 0.000 1.920 306 A HA 0.221 4.642 4.320 0.168 0.000 0.209 306 A C 0.859 178.373 177.584 -0.116 0.000 1.229 306 A CA 1.524 53.144 52.037 -0.695 0.000 0.671 306 A CB -0.351 17.787 19.000 -1.436 0.000 0.886 306 A HN 0.534 nan 8.150 nan 0.000 0.461 307 T N -5.678 108.927 114.554 0.086 0.000 2.681 307 T HA 0.342 4.793 4.350 0.168 0.000 0.296 307 T C 0.130 175.024 174.700 0.325 0.000 1.157 307 T CA -0.360 61.851 62.100 0.184 0.000 1.025 307 T CB 0.679 69.636 68.868 0.150 0.000 1.441 307 T HN -0.052 nan 8.240 nan 0.000 0.504 308 Q N 0.345 120.299 119.800 0.256 0.000 2.234 308 Q HA -0.030 4.411 4.340 0.168 0.000 0.206 308 Q C 1.056 177.356 176.000 0.500 0.000 0.980 308 Q CA 1.668 57.639 55.803 0.279 0.000 0.869 308 Q CB -0.181 28.673 28.738 0.192 0.000 0.912 308 Q HN 0.838 nan 8.270 nan 0.000 0.436 309 E N -0.690 119.789 120.200 0.465 0.000 2.676 309 E HA 0.189 4.640 4.350 0.168 0.000 0.222 309 E C -0.133 176.751 176.600 0.474 0.000 0.968 309 E CA -0.158 56.529 56.400 0.479 0.000 1.090 309 E CB 1.097 30.969 29.700 0.287 0.000 1.066 309 E HN -0.037 nan 8.360 nan 0.000 0.496 310 R N 1.423 122.188 120.500 0.441 0.000 2.480 310 R HA 0.531 4.972 4.340 0.168 0.000 0.306 310 R C -1.232 175.066 176.300 -0.002 0.000 0.958 310 R CA -0.495 55.737 56.100 0.220 0.000 0.861 310 R CB 2.060 32.387 30.300 0.045 0.000 1.171 310 R HN 0.066 nan 8.270 nan 0.000 0.445 311 I N 1.818 122.223 120.570 -0.275 0.000 2.545 311 I HA 0.321 4.591 4.170 0.168 0.000 0.292 311 I C -0.576 175.218 176.117 -0.538 0.000 1.040 311 I CA -0.396 60.455 61.300 -0.749 0.000 1.068 311 I CB 2.084 39.174 38.000 -1.517 0.000 1.251 311 I HN 0.650 nan 8.210 nan 0.000 0.424 312 S N 7.364 122.751 115.700 -0.520 0.000 2.472 312 S HA 0.782 5.353 4.470 0.168 0.000 0.303 312 S C -1.062 173.237 174.600 -0.501 0.000 1.099 312 S CA -0.696 57.285 58.200 -0.364 0.000 1.077 312 S CB 1.765 64.883 63.200 -0.138 0.000 1.031 312 S HN 0.436 nan 8.310 nan 0.000 0.487 313 L N 2.165 123.106 121.223 -0.471 0.000 2.362 313 L HA 0.558 4.999 4.340 0.168 0.000 0.271 313 L C -0.233 176.375 176.870 -0.437 0.000 1.002 313 L CA -0.204 54.258 54.840 -0.630 0.000 0.818 313 L CB 2.052 43.641 42.059 -0.783 0.000 1.298 313 L HN 0.804 nan 8.230 nan 0.000 0.420 314 Q N 1.795 121.285 119.800 -0.517 0.000 2.325 314 Q HA 0.449 4.890 4.340 0.168 0.000 0.270 314 Q C -1.726 174.068 176.000 -0.344 0.000 1.020 314 Q CA -0.488 55.139 55.803 -0.293 0.000 0.785 314 Q CB 1.981 30.588 28.738 -0.218 0.000 1.259 314 Q HN 0.477 nan 8.270 nan 0.000 0.452 315 W N 2.663 123.921 121.300 -0.070 0.000 2.627 315 W HA 0.614 5.375 4.660 0.170 0.000 0.339 315 W C -0.788 175.768 176.519 0.062 0.000 1.058 315 W CA -0.658 56.696 57.345 0.015 0.000 1.223 315 W CB 0.992 30.437 29.460 -0.025 0.000 1.389 315 W HN 0.384 nan 8.180 nan 0.000 0.541 316 L N 2.849 124.305 121.223 0.387 0.000 2.385 316 L HA 0.570 5.011 4.340 0.168 0.000 0.273 316 L C -0.068 177.005 176.870 0.340 0.000 0.990 316 L CA -1.162 53.867 54.840 0.317 0.000 0.821 316 L CB 1.287 43.507 42.059 0.269 0.000 1.279 316 L HN 0.407 nan 8.230 nan 0.000 0.412 317 R N 2.368 123.026 120.500 0.263 0.000 2.641 317 R HA 0.219 4.660 4.340 0.168 0.000 0.269 317 R C 1.044 177.410 176.300 0.111 0.000 1.074 317 R CA -0.103 56.096 56.100 0.166 0.000 1.133 317 R CB 0.612 30.992 30.300 0.134 0.000 1.029 317 R HN 0.663 nan 8.270 nan 0.000 0.488 318 R N 1.396 121.872 120.500 -0.041 0.000 2.117 318 R HA -0.086 4.354 4.340 0.168 0.000 0.243 318 R C 0.391 176.748 176.300 0.095 0.000 1.143 318 R CA 1.184 57.250 56.100 -0.057 0.000 0.968 318 R CB 0.144 30.367 30.300 -0.129 0.000 0.863 318 R HN 0.386 nan 8.270 nan 0.000 0.444 319 I N 2.914 123.522 120.570 0.064 0.000 2.278 319 I HA 0.004 4.275 4.170 0.168 0.000 0.296 319 I C 0.134 176.308 176.117 0.095 0.000 1.121 319 I CA 0.381 61.718 61.300 0.062 0.000 1.267 319 I CB 0.852 38.873 38.000 0.036 0.000 1.447 319 I HN 0.281 nan 8.210 nan 0.000 0.509 320 Q N 4.002 123.856 119.800 0.090 0.000 2.271 320 Q HA -0.035 4.406 4.340 0.168 0.000 0.206 320 Q C 0.748 176.815 176.000 0.111 0.000 0.860 320 Q CA 0.062 55.926 55.803 0.102 0.000 0.991 320 Q CB -0.077 28.676 28.738 0.025 0.000 1.232 320 Q HN 0.467 nan 8.270 nan 0.000 0.410 321 N N -0.530 118.243 118.700 0.122 0.000 2.414 321 N HA -0.004 4.837 4.740 0.168 0.000 0.177 321 N C -0.997 174.622 175.510 0.183 0.000 1.062 321 N CA 0.450 53.571 53.050 0.118 0.000 0.890 321 N CB 0.588 39.136 38.487 0.100 0.000 1.070 321 N HN 0.298 nan 8.380 nan 0.000 0.454 322 Y N 0.625 120.950 120.300 0.041 0.000 2.406 322 Y HA 0.488 5.139 4.550 0.167 0.000 0.340 322 Y C -0.823 175.114 175.900 0.061 0.000 0.975 322 Y CA -1.067 57.058 58.100 0.041 0.000 1.056 322 Y CB 1.283 39.759 38.460 0.028 0.000 1.210 322 Y HN -0.080 nan 8.280 nan 0.000 0.448 323 S N 4.117 119.736 115.700 -0.136 0.000 2.569 323 S HA 0.904 5.475 4.470 0.168 0.000 0.280 323 S C -1.897 172.594 174.600 -0.182 0.000 1.111 323 S CA -0.786 57.385 58.200 -0.048 0.000 0.887 323 S CB 1.828 65.027 63.200 -0.000 0.000 1.095 323 S HN 0.474 nan 8.310 nan 0.000 0.476 324 V N 2.659 122.562 119.914 -0.020 0.000 2.709 324 V HA 0.575 4.795 4.120 0.168 0.000 0.308 324 V C -0.606 175.518 176.094 0.050 0.000 1.062 324 V CA -0.670 61.618 62.300 -0.020 0.000 0.901 324 V CB 1.919 33.754 31.823 0.020 0.000 1.003 324 V HN 1.030 nan 8.190 nan 0.000 0.425 325 M N 3.745 123.350 119.600 0.009 0.000 2.167 325 M HA 0.526 5.107 4.480 0.168 0.000 0.333 325 M C -1.449 174.870 176.300 0.032 0.000 1.030 325 M CA -0.338 54.952 55.300 -0.017 0.000 0.963 325 M CB 1.145 33.680 32.600 -0.108 0.000 1.589 325 M HN 0.613 nan 8.290 nan 0.000 0.431 326 D N 5.178 125.588 120.400 0.016 0.000 2.198 326 D HA 0.549 5.290 4.640 0.168 0.000 0.247 326 D C -0.930 175.350 176.300 -0.033 0.000 1.010 326 D CA -0.049 53.959 54.000 0.012 0.000 0.880 326 D CB 2.034 42.849 40.800 0.025 0.000 1.209 326 D HN 0.617 nan 8.370 nan 0.000 0.451 327 I N 2.077 122.654 120.570 0.011 0.000 2.411 327 I HA 0.269 4.540 4.170 0.168 0.000 0.284 327 I C -0.581 175.548 176.117 0.019 0.000 1.012 327 I CA -0.589 60.717 61.300 0.011 0.000 1.119 327 I CB 1.341 39.413 38.000 0.121 0.000 1.261 327 I HN 0.160 nan 8.210 nan 0.000 0.448 328 c N 3.667 122.267 118.600 0.000 0.000 2.411 328 c HA 0.613 5.284 4.570 0.168 0.000 0.330 328 c C -0.291 173.950 174.090 0.252 0.000 1.224 328 c CA -0.686 55.710 56.329 0.113 0.000 1.770 328 c CB 1.131 43.711 42.510 0.116 0.000 2.297 328 c HN 0.602 nan 8.230 nan 0.000 0.507 329 D N -0.161 120.362 120.400 0.204 0.000 2.342 329 D HA 0.372 5.113 4.640 0.168 0.000 0.243 329 D C -0.780 175.381 176.300 -0.231 0.000 1.019 329 D CA -0.278 53.771 54.000 0.082 0.000 0.864 329 D CB 0.812 41.622 40.800 0.016 0.000 1.315 329 D HN 0.568 nan 8.370 nan 0.000 0.468 330 Y N 1.320 121.118 120.300 -0.836 0.000 2.359 330 Y HA 0.211 4.862 4.550 0.168 0.000 0.330 330 Y C -0.126 175.453 175.900 -0.535 0.000 1.143 330 Y CA -0.116 57.225 58.100 -1.264 0.000 1.318 330 Y CB 0.791 38.491 38.460 -1.266 0.000 1.234 330 Y HN 0.189 nan 8.280 nan 0.000 0.522 331 D N 5.395 125.166 120.400 -1.049 0.000 2.485 331 D HA 0.063 4.804 4.640 0.168 0.000 0.229 331 D C 0.913 176.626 176.300 -0.979 0.000 1.101 331 D CA -0.098 53.468 54.000 -0.724 0.000 0.906 331 D CB 0.693 41.240 40.800 -0.421 0.000 1.019 331 D HN 0.840 nan 8.370 nan 0.000 0.516 332 E N 1.469 121.179 120.200 -0.817 0.000 2.108 332 E HA -0.194 4.257 4.350 0.168 0.000 0.203 332 E C 0.594 177.032 176.600 -0.270 0.000 1.022 332 E CA 1.467 57.583 56.400 -0.473 0.000 0.823 332 E CB 0.045 29.678 29.700 -0.111 0.000 0.744 332 E HN 0.155 nan 8.360 nan 0.000 0.456 333 S N -0.965 114.606 115.700 -0.215 0.000 2.667 333 S HA 0.246 4.817 4.470 0.168 0.000 0.251 333 S C 0.541 175.064 174.600 -0.128 0.000 1.075 333 S CA 0.353 58.478 58.200 -0.124 0.000 1.130 333 S CB 0.152 63.303 63.200 -0.083 0.000 0.795 333 S HN 0.243 nan 8.310 nan 0.000 0.462 334 S N -0.290 115.303 115.700 -0.179 0.000 2.462 334 S HA 0.346 4.917 4.470 0.168 0.000 0.269 334 S C 1.334 175.870 174.600 -0.106 0.000 1.005 334 S CA 0.993 59.114 58.200 -0.132 0.000 1.260 334 S CB -0.241 62.868 63.200 -0.152 0.000 0.990 334 S HN 0.726 nan 8.310 nan 0.000 0.477 335 G N 1.913 110.592 108.800 -0.202 0.000 2.284 335 G HA2 -0.292 3.769 3.960 0.168 0.000 0.247 335 G HA3 -0.292 3.769 3.960 0.168 0.000 0.247 335 G C 0.066 175.016 174.900 0.084 0.000 1.012 335 G CA 0.542 45.646 45.100 0.007 0.000 0.618 335 G HN 0.840 nan 8.290 nan 0.000 0.521 336 R N -1.054 119.423 120.500 -0.039 0.000 2.541 336 R HA 0.708 5.149 4.340 0.168 0.000 0.254 336 R C -0.752 175.511 176.300 -0.062 0.000 1.130 336 R CA -0.813 55.334 56.100 0.079 0.000 1.152 336 R CB 0.440 30.791 30.300 0.084 0.000 1.222 336 R HN 0.184 nan 8.270 nan 0.000 0.579 337 W N -0.020 121.303 121.300 0.038 0.000 2.475 337 W HA 0.433 5.195 4.660 0.170 0.000 0.317 337 W C -0.867 175.639 176.519 -0.023 0.000 1.046 337 W CA -0.426 56.927 57.345 0.013 0.000 1.215 337 W CB 1.370 30.830 29.460 0.001 0.000 1.335 337 W HN 0.523 nan 8.180 nan 0.000 0.471 338 N N 1.961 120.734 118.700 0.122 0.000 2.321 338 N HA 0.559 5.400 4.740 0.168 0.000 0.299 338 N C -1.509 174.042 175.510 0.068 0.000 1.048 338 N CA -0.594 52.494 53.050 0.063 0.000 0.836 338 N CB 1.235 39.721 38.487 -0.001 0.000 1.269 338 N HN 0.176 nan 8.380 nan 0.000 0.486 339 c N 2.586 121.209 118.600 0.040 0.000 2.258 339 c HA 0.377 5.048 4.570 0.168 0.000 0.321 339 c C 0.330 174.421 174.090 0.003 0.000 1.168 339 c CA -1.156 55.187 56.329 0.024 0.000 1.531 339 c CB -1.270 41.243 42.510 0.006 0.000 2.095 339 c HN 0.597 nan 8.230 nan 0.000 0.449 340 L N 2.910 124.137 121.223 0.008 0.000 2.513 340 L HA 0.094 4.534 4.340 0.168 0.000 0.272 340 L C 0.715 177.573 176.870 -0.020 0.000 1.187 340 L CA 0.209 55.045 54.840 -0.006 0.000 0.895 340 L CB 0.411 42.471 42.059 0.002 0.000 1.147 340 L HN 0.569 nan 8.230 nan 0.000 0.483 341 V N 5.375 125.269 119.914 -0.033 0.000 2.364 341 V HA 0.426 4.647 4.120 0.168 0.000 0.252 341 V C 0.799 176.860 176.094 -0.054 0.000 1.075 341 V CA 1.155 63.426 62.300 -0.048 0.000 1.033 341 V CB 0.037 31.832 31.823 -0.047 0.000 1.116 341 V HN 1.054 nan 8.190 nan 0.000 0.488 342 A N 5.922 128.698 122.820 -0.074 0.000 2.317 342 A HA 0.120 4.541 4.320 0.168 0.000 0.198 342 A C 1.496 179.011 177.584 -0.115 0.000 2.567 342 A CA 0.289 52.276 52.037 -0.082 0.000 1.525 342 A CB -0.261 18.714 19.000 -0.042 0.000 1.020 342 A HN 0.593 nan 8.150 nan 0.000 0.433 343 R N 0.324 120.784 120.500 -0.066 0.000 2.362 343 R HA 0.197 4.638 4.340 0.168 0.000 0.227 343 R C 0.723 177.001 176.300 -0.038 0.000 0.905 343 R CA 0.146 56.257 56.100 0.018 0.000 1.067 343 R CB 0.416 30.786 30.300 0.116 0.000 1.078 343 R HN 0.617 nan 8.270 nan 0.000 0.516 344 Q N 1.089 120.795 119.800 -0.157 0.000 2.288 344 Q HA 0.071 4.512 4.340 0.168 0.000 0.258 344 Q C -1.210 174.622 176.000 -0.280 0.000 0.957 344 Q CA -0.078 55.660 55.803 -0.108 0.000 0.919 344 Q CB 0.605 29.296 28.738 -0.078 0.000 1.185 344 Q HN 0.211 nan 8.270 nan 0.000 0.408 345 H N 3.225 122.282 119.070 -0.022 0.000 2.489 345 H HA 0.423 5.080 4.556 0.168 0.000 0.343 345 H C -0.716 174.566 175.328 -0.076 0.000 1.086 345 H CA -0.514 55.521 56.048 -0.022 0.000 1.198 345 H CB 1.222 30.968 29.762 -0.027 0.000 1.490 345 H HN 0.550 nan 8.280 nan 0.000 0.504 346 I N 1.997 122.572 120.570 0.008 0.000 2.385 346 I HA 0.242 4.513 4.170 0.168 0.000 0.294 346 I C 0.054 176.108 176.117 -0.104 0.000 0.988 346 I CA -0.200 61.014 61.300 -0.144 0.000 1.265 346 I CB 1.254 39.133 38.000 -0.202 0.000 1.388 346 I HN 0.569 nan 8.210 nan 0.000 0.480 347 E N 8.065 128.152 120.200 -0.189 0.000 2.241 347 E HA 0.572 5.023 4.350 0.168 0.000 0.263 347 E C -1.229 175.283 176.600 -0.147 0.000 0.882 347 E CA -0.660 55.682 56.400 -0.097 0.000 0.769 347 E CB 1.502 31.174 29.700 -0.046 0.000 1.185 347 E HN 0.628 nan 8.360 nan 0.000 0.415 348 M N 1.015 120.573 119.600 -0.070 0.000 2.704 348 M HA 0.688 5.269 4.480 0.168 0.000 0.284 348 M C -1.094 175.219 176.300 0.022 0.000 1.275 348 M CA -0.931 54.365 55.300 -0.007 0.000 0.811 348 M CB 2.245 34.885 32.600 0.067 0.000 1.741 348 M HN 0.257 nan 8.290 nan 0.000 0.458 349 S N -0.991 114.731 115.700 0.037 0.000 2.564 349 S HA 0.672 5.243 4.470 0.168 0.000 0.274 349 S C -0.032 174.575 174.600 0.011 0.000 1.124 349 S CA 0.099 58.304 58.200 0.009 0.000 0.869 349 S CB 2.015 65.197 63.200 -0.030 0.000 1.105 349 S HN 0.924 nan 8.310 nan 0.000 0.472 350 T N -0.922 113.633 114.554 0.003 0.000 2.969 350 T HA 0.102 4.553 4.350 0.168 0.000 0.250 350 T C 1.510 176.204 174.700 -0.009 0.000 1.021 350 T CA 0.782 62.883 62.100 0.002 0.000 1.003 350 T CB -0.362 68.510 68.868 0.007 0.000 1.040 350 T HN 0.672 nan 8.240 nan 0.000 0.492 351 T N -1.344 113.209 114.554 -0.002 0.000 3.037 351 T HA 0.588 5.038 4.350 0.168 0.000 0.252 351 T C 1.198 175.833 174.700 -0.108 0.000 1.073 351 T CA 0.518 62.631 62.100 0.022 0.000 1.091 351 T CB 0.284 69.214 68.868 0.103 0.000 0.935 351 T HN 0.623 nan 8.240 nan 0.000 0.488 352 G N 0.337 108.929 108.800 -0.347 0.000 2.696 352 G HA2 0.475 4.535 3.960 0.168 0.000 0.151 352 G HA3 0.475 4.535 3.960 0.168 0.000 0.151 352 G C -1.624 172.994 174.900 -0.470 0.000 1.197 352 G CA -0.555 44.057 45.100 -0.814 0.000 1.053 352 G HN 0.497 nan 8.290 nan 0.000 0.546 353 W N -0.010 120.977 121.300 -0.523 0.000 2.353 353 W HA 0.755 5.519 4.660 0.174 0.000 0.377 353 W C -0.455 176.000 176.519 -0.106 0.000 1.375 353 W CA -1.295 55.895 57.345 -0.258 0.000 1.503 353 W CB 0.704 29.969 29.460 -0.324 0.000 1.345 353 W HN 0.267 nan 8.180 nan 0.000 0.683 354 V N 3.004 122.987 119.914 0.115 0.000 2.407 354 V HA 0.724 4.945 4.120 0.168 0.000 0.278 354 V C 0.722 176.894 176.094 0.131 0.000 1.037 354 V CA 0.240 62.573 62.300 0.056 0.000 0.900 354 V CB -0.021 31.836 31.823 0.056 0.000 0.983 354 V HN 1.311 nan 8.190 nan 0.000 0.459 355 G N 5.013 113.850 108.800 0.062 0.000 2.746 355 G HA2 -0.175 3.886 3.960 0.168 0.000 0.685 355 G HA3 -0.175 3.886 3.960 0.168 0.000 0.685 355 G C 0.319 175.325 174.900 0.178 0.000 1.350 355 G CA 0.093 45.258 45.100 0.108 0.000 0.837 355 G HN 0.630 nan 8.290 nan 0.000 0.564 356 R N -0.662 119.934 120.500 0.160 0.000 2.062 356 R HA 0.073 4.513 4.340 0.168 0.000 0.231 356 R C 2.005 178.317 176.300 0.021 0.000 1.136 356 R CA 2.279 58.443 56.100 0.107 0.000 0.948 356 R CB -0.114 30.257 30.300 0.118 0.000 0.845 356 R HN 0.491 nan 8.270 nan 0.000 0.430 357 F N -1.143 118.941 119.950 0.222 0.000 2.747 357 F HA 0.236 4.869 4.527 0.177 0.000 0.305 357 F C 0.414 176.230 175.800 0.026 0.000 1.065 357 F CA -0.411 57.656 58.000 0.111 0.000 1.230 357 F CB 0.729 39.791 39.000 0.103 0.000 1.027 357 F HN -0.108 nan 8.300 nan 0.000 0.607 358 R N -1.045 119.589 120.500 0.222 0.000 2.712 358 R HA 0.463 4.904 4.340 0.168 0.000 0.272 358 R C -3.267 173.090 176.300 0.095 0.000 1.032 358 R CA -2.033 54.124 56.100 0.094 0.000 0.874 358 R CB 0.220 30.522 30.300 0.004 0.000 1.256 358 R HN -0.361 nan 8.270 nan 0.000 0.468 359 P HA -0.060 nan 4.420 nan 0.000 0.263 359 P C -0.226 177.093 177.300 0.031 0.000 1.175 359 P CA 0.281 63.398 63.100 0.028 0.000 0.761 359 P CB 0.669 32.360 31.700 -0.015 0.000 0.794 360 S N 2.237 117.966 115.700 0.048 0.000 2.589 360 S HA 0.130 4.701 4.470 0.168 0.000 0.265 360 S C 0.238 174.845 174.600 0.013 0.000 1.342 360 S CA -0.633 57.608 58.200 0.069 0.000 1.005 360 S CB 0.382 63.643 63.200 0.103 0.000 0.909 360 S HN 0.524 nan 8.310 nan 0.000 0.555 361 E N 1.177 121.397 120.200 0.032 0.000 2.319 361 E HA 0.446 4.896 4.350 0.168 0.000 0.268 361 E C -2.818 173.729 176.600 -0.088 0.000 1.050 361 E CA -2.299 54.069 56.400 -0.053 0.000 0.878 361 E CB 0.508 30.184 29.700 -0.041 0.000 1.066 361 E HN 0.490 nan 8.360 nan 0.000 0.406 362 P HA 0.276 nan 4.420 nan 0.000 0.284 362 P C -0.794 176.350 177.300 -0.260 0.000 1.258 362 P CA -0.413 62.480 63.100 -0.345 0.000 0.824 362 P CB 0.915 32.050 31.700 -0.942 0.000 1.038 363 H N 2.096 121.162 119.070 -0.006 0.000 2.792 363 H HA 0.293 4.949 4.556 0.167 0.000 0.298 363 H C -0.275 175.206 175.328 0.255 0.000 1.042 363 H CA -0.287 55.873 56.048 0.188 0.000 1.300 363 H CB 0.285 30.168 29.762 0.202 0.000 1.431 363 H HN 0.289 nan 8.280 nan 0.000 0.496 364 F N 1.542 121.683 119.950 0.318 0.000 2.382 364 F HA 0.100 4.727 4.527 0.167 0.000 0.331 364 F C 1.655 177.665 175.800 0.348 0.000 1.121 364 F CA -0.530 57.681 58.000 0.351 0.000 1.183 364 F CB 0.807 39.944 39.000 0.228 0.000 1.207 364 F HN 0.328 nan 8.300 nan 0.000 0.555 365 T N -0.081 114.800 114.554 0.545 0.000 2.828 365 T HA 0.154 4.604 4.350 0.168 0.000 0.290 365 T C 1.082 175.984 174.700 0.336 0.000 1.019 365 T CA -0.774 61.574 62.100 0.414 0.000 1.031 365 T CB 0.776 69.877 68.868 0.387 0.000 1.001 365 T HN 0.562 nan 8.240 nan 0.000 0.531 366 L N 1.447 122.819 121.223 0.249 0.000 2.021 366 L HA -0.121 4.319 4.340 0.168 0.000 0.215 366 L C 2.128 179.110 176.870 0.187 0.000 1.074 366 L CA 2.535 57.494 54.840 0.198 0.000 0.760 366 L CB -1.205 40.946 42.059 0.152 0.000 0.889 366 L HN 0.956 nan 8.230 nan 0.000 0.433 367 D N -1.383 119.128 120.400 0.185 0.000 2.348 367 D HA 0.037 4.778 4.640 0.168 0.000 0.216 367 D C 1.678 178.086 176.300 0.181 0.000 0.970 367 D CA 0.866 54.964 54.000 0.162 0.000 0.889 367 D CB -0.624 40.261 40.800 0.143 0.000 0.912 367 D HN 0.473 nan 8.370 nan 0.000 0.524 368 G N 0.311 109.259 108.800 0.247 0.000 2.148 368 G HA2 -0.392 3.669 3.960 0.168 0.000 0.254 368 G HA3 -0.392 3.669 3.960 0.168 0.000 0.254 368 G C 0.715 175.818 174.900 0.338 0.000 0.981 368 G CA 0.430 45.701 45.100 0.286 0.000 0.670 368 G HN 0.512 nan 8.290 nan 0.000 0.528 369 N N -0.109 118.754 118.700 0.273 0.000 2.412 369 N HA 0.290 5.131 4.740 0.168 0.000 0.184 369 N C 0.913 176.530 175.510 0.178 0.000 1.101 369 N CA 0.629 53.805 53.050 0.210 0.000 0.881 369 N CB 0.240 38.811 38.487 0.140 0.000 0.969 369 N HN 0.652 nan 8.380 nan 0.000 0.459 370 S N -0.221 115.611 115.700 0.220 0.000 2.671 370 S HA 0.755 5.326 4.470 0.168 0.000 0.277 370 S C -1.181 173.483 174.600 0.105 0.000 1.165 370 S CA -1.021 57.160 58.200 -0.031 0.000 0.822 370 S CB 1.741 64.855 63.200 -0.143 0.000 1.150 370 S HN 0.172 nan 8.310 nan 0.000 0.479 371 F N -2.385 117.400 119.950 -0.275 0.000 2.770 371 F HA 0.786 5.414 4.527 0.169 0.000 0.313 371 F C -2.536 173.113 175.800 -0.252 0.000 1.154 371 F CA -1.558 56.267 58.000 -0.293 0.000 0.923 371 F CB 0.361 38.768 39.000 -0.988 0.000 1.301 371 F HN 0.612 nan 8.300 nan 0.000 0.449 372 Y N 1.089 121.580 120.300 0.318 0.000 2.485 372 Y HA 0.751 5.402 4.550 0.168 0.000 0.345 372 Y C -0.604 175.472 175.900 0.293 0.000 0.998 372 Y CA -1.085 57.187 58.100 0.287 0.000 1.059 372 Y CB 2.317 40.896 38.460 0.198 0.000 1.234 372 Y HN 0.751 nan 8.280 nan 0.000 0.461 373 K N 0.712 121.350 120.400 0.397 0.000 2.562 373 K HA 0.613 5.034 4.320 0.168 0.000 0.267 373 K C -1.924 174.810 176.600 0.224 0.000 0.938 373 K CA -0.701 55.748 56.287 0.269 0.000 0.840 373 K CB 1.438 34.013 32.500 0.125 0.000 1.390 373 K HN 0.579 nan 8.250 nan 0.000 0.428 374 I N 4.120 124.796 120.570 0.177 0.000 2.379 374 I HA 0.267 4.537 4.170 0.168 0.000 0.290 374 I C 0.118 176.321 176.117 0.143 0.000 1.063 374 I CA -0.421 60.968 61.300 0.147 0.000 1.351 374 I CB -0.007 38.063 38.000 0.118 0.000 1.410 374 I HN 0.606 nan 8.210 nan 0.000 0.505 375 I N 2.246 122.930 120.570 0.191 0.000 2.934 375 I HA 0.521 4.792 4.170 0.168 0.000 0.306 375 I C -0.061 176.176 176.117 0.200 0.000 1.110 375 I CA -0.732 60.677 61.300 0.182 0.000 1.019 375 I CB 2.115 40.240 38.000 0.208 0.000 1.227 375 I HN 0.363 nan 8.210 nan 0.000 0.434 376 S N 2.841 118.593 115.700 0.087 0.000 2.562 376 S HA 0.165 4.736 4.470 0.168 0.000 0.281 376 S C 0.179 174.791 174.600 0.019 0.000 1.333 376 S CA -0.214 57.976 58.200 -0.016 0.000 1.052 376 S CB -0.007 63.124 63.200 -0.115 0.000 0.884 376 S HN 0.716 nan 8.310 nan 0.000 0.506 377 N N 1.827 120.442 118.700 -0.142 0.000 2.354 377 N HA 0.092 4.933 4.740 0.168 0.000 0.246 377 N C 0.843 176.247 175.510 -0.177 0.000 1.285 377 N CA -0.141 52.726 53.050 -0.305 0.000 0.925 377 N CB 0.652 38.973 38.487 -0.276 0.000 1.174 377 N HN 0.752 nan 8.380 nan 0.000 0.478 378 E N 0.268 120.355 120.200 -0.188 0.000 2.427 378 E HA -0.063 4.387 4.350 0.168 0.000 0.196 378 E C 0.803 177.339 176.600 -0.106 0.000 1.028 378 E CA 0.869 57.211 56.400 -0.097 0.000 0.864 378 E CB 0.106 29.763 29.700 -0.071 0.000 0.813 378 E HN 0.591 nan 8.360 nan 0.000 0.514 379 E N -1.513 118.612 120.200 -0.124 0.000 2.472 379 E HA 0.073 4.524 4.350 0.168 0.000 0.196 379 E C 0.569 177.098 176.600 -0.119 0.000 1.033 379 E CA 0.519 56.881 56.400 -0.063 0.000 0.886 379 E CB 0.242 29.948 29.700 0.010 0.000 0.944 379 E HN 0.309 nan 8.360 nan 0.000 0.492 380 G N 0.589 109.265 108.800 -0.207 0.000 2.159 380 G HA2 -0.261 3.800 3.960 0.168 0.000 0.227 380 G HA3 -0.261 3.800 3.960 0.168 0.000 0.227 380 G C -0.413 174.156 174.900 -0.552 0.000 0.986 380 G CA 0.157 45.025 45.100 -0.387 0.000 0.651 380 G HN 0.220 nan 8.290 nan 0.000 0.523 381 Y N 0.525 120.673 120.300 -0.254 0.000 2.341 381 Y HA 0.646 5.296 4.550 0.168 0.000 0.337 381 Y C 1.112 176.803 175.900 -0.349 0.000 1.014 381 Y CA -0.907 57.014 58.100 -0.300 0.000 1.111 381 Y CB 1.063 39.351 38.460 -0.288 0.000 1.194 381 Y HN 0.062 nan 8.280 nan 0.000 0.462 382 R N 3.832 124.177 120.500 -0.259 0.000 2.296 382 R HA 0.231 4.671 4.340 0.168 0.000 0.323 382 R C -0.735 175.283 176.300 -0.470 0.000 1.067 382 R CA 0.048 56.012 56.100 -0.227 0.000 0.946 382 R CB 0.024 30.249 30.300 -0.126 0.000 0.991 382 R HN 0.643 nan 8.270 nan 0.000 0.448 383 H N 1.739 120.792 119.070 -0.028 0.000 2.907 383 H HA 0.338 4.995 4.556 0.169 0.000 0.361 383 H C -0.010 175.394 175.328 0.127 0.000 1.194 383 H CA -0.973 55.040 56.048 -0.058 0.000 1.152 383 H CB 1.578 31.215 29.762 -0.208 0.000 1.867 383 H HN 0.323 nan 8.280 nan 0.000 0.561 384 I N 1.335 122.001 120.570 0.159 0.000 2.471 384 I HA 0.020 4.291 4.170 0.168 0.000 0.286 384 I C 0.423 176.593 176.117 0.089 0.000 1.079 384 I CA 0.209 61.573 61.300 0.106 0.000 1.398 384 I CB 0.276 38.265 38.000 -0.017 0.000 1.403 384 I HN 0.134 nan 8.210 nan 0.000 0.530 385 c N 7.131 125.727 118.600 -0.006 0.000 2.411 385 c HA 0.440 5.110 4.570 0.168 0.000 0.330 385 c C -0.396 173.592 174.090 -0.169 0.000 1.224 385 c CA -0.486 55.624 56.329 -0.365 0.000 1.770 385 c CB 1.078 43.116 42.510 -0.786 0.000 2.297 385 c HN 0.641 nan 8.230 nan 0.000 0.507 386 Y N 4.323 124.301 120.300 -0.538 0.000 2.335 386 Y HA 0.678 5.329 4.550 0.167 0.000 0.339 386 Y C -1.091 174.361 175.900 -0.747 0.000 0.987 386 Y CA -0.900 56.813 58.100 -0.644 0.000 1.140 386 Y CB 0.313 38.445 38.460 -0.546 0.000 1.173 386 Y HN 0.602 nan 8.280 nan 0.000 0.486 387 F N 3.561 122.726 119.950 -1.308 0.000 2.508 387 F HA 0.458 5.086 4.527 0.168 0.000 0.325 387 F C -0.223 174.779 175.800 -1.330 0.000 1.090 387 F CA -0.968 56.224 58.000 -1.346 0.000 0.945 387 F CB 1.698 39.569 39.000 -1.882 0.000 1.156 387 F HN 0.308 nan 8.300 nan 0.000 0.463 388 Q N 2.383 121.818 119.800 -0.608 0.000 2.278 388 Q HA 0.355 4.796 4.340 0.168 0.000 0.257 388 Q C 1.083 177.014 176.000 -0.114 0.000 0.928 388 Q CA -0.198 55.383 55.803 -0.369 0.000 0.932 388 Q CB 1.253 29.848 28.738 -0.238 0.000 1.221 388 Q HN 0.697 nan 8.270 nan 0.000 0.434 389 I N -0.324 120.258 120.570 0.021 0.000 2.502 389 I HA -0.189 4.082 4.170 0.168 0.000 0.258 389 I C 0.417 176.722 176.117 0.313 0.000 1.172 389 I CA 1.567 63.051 61.300 0.307 0.000 1.430 389 I CB -0.070 38.138 38.000 0.346 0.000 1.086 389 I HN 0.453 nan 8.210 nan 0.000 0.440 390 D N 0.620 121.100 120.400 0.133 0.000 2.501 390 D HA 0.197 4.938 4.640 0.168 0.000 0.226 390 D C -0.021 176.278 176.300 -0.001 0.000 1.198 390 D CA -0.271 53.757 54.000 0.046 0.000 0.830 390 D CB 0.077 40.894 40.800 0.028 0.000 1.014 390 D HN 0.400 nan 8.370 nan 0.000 0.496 391 K N 0.981 121.400 120.400 0.032 0.000 2.426 391 K HA 0.231 4.652 4.320 0.168 0.000 0.254 391 K C 0.997 177.615 176.600 0.030 0.000 0.936 391 K CA -0.641 55.637 56.287 -0.014 0.000 0.801 391 K CB 2.521 34.985 32.500 -0.060 0.000 1.139 391 K HN -0.135 nan 8.250 nan 0.000 0.424 392 K N 0.492 120.877 120.400 -0.024 0.000 2.097 392 K HA -0.069 4.352 4.320 0.168 0.000 0.206 392 K C -0.006 176.613 176.600 0.031 0.000 1.049 392 K CA 1.041 57.336 56.287 0.013 0.000 0.933 392 K CB -0.001 32.480 32.500 -0.032 0.000 0.717 392 K HN 0.438 nan 8.250 nan 0.000 0.442 393 D N 1.593 121.948 120.400 -0.075 0.000 2.210 393 D HA 0.166 4.907 4.640 0.168 0.000 0.249 393 D C 0.001 176.070 176.300 -0.386 0.000 1.062 393 D CA -0.366 53.527 54.000 -0.179 0.000 0.891 393 D CB 1.560 42.277 40.800 -0.138 0.000 1.186 393 D HN 0.323 nan 8.370 nan 0.000 0.432 394 c N -0.093 118.125 118.600 -0.637 0.000 2.595 394 c HA 0.795 5.466 4.570 0.168 0.000 0.338 394 c C 0.099 173.797 174.090 -0.653 0.000 1.219 394 c CA -0.646 55.096 56.329 -0.980 0.000 1.811 394 c CB 1.132 42.418 42.510 -2.040 0.000 2.313 394 c HN 0.480 nan 8.230 nan 0.000 0.499 395 T N 2.061 116.294 114.554 -0.534 0.000 2.771 395 T HA 0.480 4.931 4.350 0.168 0.000 0.281 395 T C -0.651 173.841 174.700 -0.346 0.000 0.982 395 T CA 0.128 62.059 62.100 -0.281 0.000 0.978 395 T CB 0.371 69.214 68.868 -0.042 0.000 0.930 395 T HN 0.491 nan 8.240 nan 0.000 0.447 396 F N 3.108 122.948 119.950 -0.184 0.000 2.495 396 F HA 0.263 4.890 4.527 0.167 0.000 0.365 396 F C 1.628 177.255 175.800 -0.288 0.000 1.090 396 F CA -0.889 56.987 58.000 -0.206 0.000 1.235 396 F CB 0.480 39.368 39.000 -0.186 0.000 1.119 396 F HN 0.582 nan 8.300 nan 0.000 0.562 397 I N -0.642 119.790 120.570 -0.230 0.000 3.968 397 I HA 0.229 4.500 4.170 0.168 0.000 0.328 397 I C 0.173 176.117 176.117 -0.288 0.000 1.290 397 I CA 0.131 61.072 61.300 -0.598 0.000 1.163 397 I CB 0.026 37.417 38.000 -1.015 0.000 1.024 397 I HN 0.489 nan 8.210 nan 0.000 0.413 398 T N 0.129 114.572 114.554 -0.184 0.000 2.903 398 T HA 0.697 5.148 4.350 0.168 0.000 0.299 398 T C -0.693 173.614 174.700 -0.655 0.000 1.093 398 T CA -0.696 61.264 62.100 -0.234 0.000 1.002 398 T CB 2.761 71.559 68.868 -0.118 0.000 1.127 398 T HN 0.496 nan 8.240 nan 0.000 0.488 399 K N -0.153 119.668 120.400 -0.966 0.000 2.617 399 K HA 0.801 5.222 4.320 0.168 0.000 0.293 399 K C -0.395 175.499 176.600 -1.176 0.000 1.034 399 K CA -0.829 54.605 56.287 -1.422 0.000 0.884 399 K CB 1.285 33.383 32.500 -0.671 0.000 1.541 399 K HN 1.685 nan 8.250 nan 0.000 0.409 400 G N -0.142 108.085 108.800 -0.955 0.000 2.355 400 G HA2 0.050 4.111 3.960 0.168 0.000 0.619 400 G HA3 0.050 4.111 3.960 0.168 0.000 0.619 400 G C -0.702 173.636 174.900 -0.938 0.000 1.337 400 G CA -0.383 44.297 45.100 -0.700 0.000 0.993 400 G HN 1.072 nan 8.290 nan 0.000 0.599 401 T N -0.409 113.725 114.554 -0.701 0.000 4.098 401 T HA 0.576 5.027 4.350 0.168 0.000 0.291 401 T C 0.212 174.658 174.700 -0.424 0.000 1.440 401 T CA 0.620 62.112 62.100 -1.013 0.000 1.164 401 T CB -0.930 67.626 68.868 -0.520 0.000 1.313 401 T HN 1.638 nan 8.240 nan 0.000 0.951 402 W N -0.196 120.876 121.300 -0.381 0.000 2.926 402 W HA 0.586 5.345 4.660 0.166 0.000 0.361 402 W C -1.543 174.943 176.519 -0.055 0.000 1.195 402 W CA -0.942 56.349 57.345 -0.090 0.000 1.177 402 W CB 0.533 29.950 29.460 -0.071 0.000 1.453 402 W HN 0.226 nan 8.180 nan 0.000 0.571 403 E N 0.707 121.103 120.200 0.327 0.000 2.312 403 E HA 0.481 4.932 4.350 0.168 0.000 0.267 403 E C -1.223 175.516 176.600 0.231 0.000 0.894 403 E CA -1.213 55.198 56.400 0.017 0.000 0.773 403 E CB 3.364 33.092 29.700 0.047 0.000 1.241 403 E HN 0.152 nan 8.360 nan 0.000 0.432 404 V N 3.507 123.424 119.914 0.005 0.000 2.461 404 V HA 0.014 4.235 4.120 0.168 0.000 0.275 404 V C 1.198 177.376 176.094 0.141 0.000 1.047 404 V CA -0.066 62.311 62.300 0.130 0.000 0.955 404 V CB 0.655 32.447 31.823 -0.052 0.000 0.988 404 V HN 0.673 nan 8.190 nan 0.000 0.471 405 I N 3.425 124.106 120.570 0.185 0.000 2.277 405 I HA 0.214 4.485 4.170 0.168 0.000 0.243 405 I C 1.131 177.362 176.117 0.191 0.000 1.094 405 I CA 1.256 62.662 61.300 0.176 0.000 1.393 405 I CB -0.888 37.163 38.000 0.085 0.000 1.078 405 I HN 0.738 nan 8.210 nan 0.000 0.417 406 G N 0.474 109.388 108.800 0.190 0.000 2.632 406 G HA2 0.541 4.601 3.960 0.168 0.000 0.292 406 G HA3 0.541 4.601 3.960 0.168 0.000 0.292 406 G C -1.271 173.728 174.900 0.165 0.000 1.465 406 G CA -0.599 44.612 45.100 0.186 0.000 0.824 406 G HN -0.036 nan 8.290 nan 0.000 0.509 407 I N 1.214 121.828 120.570 0.073 0.000 2.365 407 I HA 0.290 4.561 4.170 0.168 0.000 0.291 407 I C 0.602 176.642 176.117 -0.129 0.000 1.004 407 I CA -0.584 60.647 61.300 -0.115 0.000 1.311 407 I CB 1.818 39.521 38.000 -0.494 0.000 1.401 407 I HN 0.506 nan 8.210 nan 0.000 0.491 408 E N 4.591 124.768 120.200 -0.039 0.000 2.372 408 E HA 0.368 4.819 4.350 0.168 0.000 0.201 408 E C 0.036 176.539 176.600 -0.161 0.000 0.938 408 E CA 0.151 56.572 56.400 0.035 0.000 0.944 408 E CB 1.135 30.973 29.700 0.229 0.000 0.937 408 E HN 0.687 nan 8.360 nan 0.000 0.495 409 A N 0.636 123.271 122.820 -0.309 0.000 2.597 409 A HA 0.591 5.012 4.320 0.168 0.000 0.292 409 A C -2.092 175.381 177.584 -0.186 0.000 1.057 409 A CA -0.651 51.135 52.037 -0.418 0.000 0.674 409 A CB 1.173 19.431 19.000 -1.237 0.000 1.278 409 A HN 0.028 nan 8.150 nan 0.000 0.416 410 L N 1.430 122.595 121.223 -0.098 0.000 2.482 410 L HA 0.761 5.202 4.340 0.168 0.000 0.269 410 L C 0.118 177.010 176.870 0.036 0.000 0.967 410 L CA 0.504 55.337 54.840 -0.011 0.000 0.851 410 L CB 1.915 43.993 42.059 0.032 0.000 1.242 410 L HN 1.222 nan 8.230 nan 0.000 0.404 411 T N -0.262 114.339 114.554 0.079 0.000 2.927 411 T HA 0.423 4.874 4.350 0.168 0.000 0.286 411 T C 1.122 175.869 174.700 0.077 0.000 1.040 411 T CA 0.036 62.191 62.100 0.092 0.000 1.010 411 T CB 1.352 70.311 68.868 0.152 0.000 1.177 411 T HN 0.640 nan 8.240 nan 0.000 0.546 412 S N -0.172 115.570 115.700 0.070 0.000 2.442 412 S HA -0.112 4.459 4.470 0.168 0.000 0.236 412 S C 0.877 175.470 174.600 -0.011 0.000 1.007 412 S CA 1.136 59.365 58.200 0.048 0.000 0.965 412 S CB -0.483 62.746 63.200 0.048 0.000 0.773 412 S HN 0.755 nan 8.310 nan 0.000 0.504 413 D N -0.954 119.426 120.400 -0.033 0.000 2.454 413 D HA 0.268 5.008 4.640 0.168 0.000 0.219 413 D C -0.436 175.582 176.300 -0.470 0.000 1.081 413 D CA 0.435 54.297 54.000 -0.230 0.000 0.867 413 D CB 0.347 41.010 40.800 -0.228 0.000 1.054 413 D HN 0.429 nan 8.370 nan 0.000 0.500 414 Y N 0.001 120.254 120.300 -0.079 0.000 2.576 414 Y HA 0.437 5.088 4.550 0.168 0.000 0.346 414 Y C -0.544 175.214 175.900 -0.236 0.000 1.018 414 Y CA -1.162 56.808 58.100 -0.216 0.000 1.050 414 Y CB 2.406 40.612 38.460 -0.423 0.000 1.280 414 Y HN -0.264 nan 8.280 nan 0.000 0.474 415 L N 3.076 124.211 121.223 -0.147 0.000 2.349 415 L HA 0.509 4.949 4.340 0.168 0.000 0.278 415 L C -1.985 174.786 176.870 -0.166 0.000 0.996 415 L CA -0.878 53.860 54.840 -0.170 0.000 0.825 415 L CB 0.503 42.385 42.059 -0.295 0.000 1.243 415 L HN 0.628 nan 8.230 nan 0.000 0.412 416 Y N 5.826 126.044 120.300 -0.135 0.000 2.342 416 Y HA 0.588 5.238 4.550 0.168 0.000 0.334 416 Y C -0.069 175.826 175.900 -0.008 0.000 1.067 416 Y CA -0.351 57.664 58.100 -0.141 0.000 1.128 416 Y CB 1.351 39.641 38.460 -0.284 0.000 1.200 416 Y HN 0.571 nan 8.280 nan 0.000 0.464 417 Y N -0.251 120.109 120.300 0.099 0.000 2.670 417 Y HA 0.803 5.453 4.550 0.167 0.000 0.334 417 Y C -1.818 174.164 175.900 0.137 0.000 1.185 417 Y CA -2.040 56.110 58.100 0.084 0.000 1.053 417 Y CB 1.114 39.601 38.460 0.044 0.000 1.298 417 Y HN 0.427 nan 8.280 nan 0.000 0.459 418 I N 2.805 123.580 120.570 0.342 0.000 2.441 418 I HA 0.671 4.942 4.170 0.168 0.000 0.295 418 I C -0.468 175.843 176.117 0.324 0.000 0.994 418 I CA -0.505 60.936 61.300 0.235 0.000 1.144 418 I CB 2.068 40.148 38.000 0.133 0.000 1.314 418 I HN 0.897 nan 8.210 nan 0.000 0.445 419 S N 3.028 118.872 115.700 0.241 0.000 2.671 419 S HA 0.410 4.981 4.470 0.168 0.000 0.277 419 S C -0.621 174.013 174.600 0.058 0.000 1.165 419 S CA -0.877 57.434 58.200 0.185 0.000 0.822 419 S CB 1.696 65.015 63.200 0.198 0.000 1.150 419 S HN 0.642 nan 8.310 nan 0.000 0.479 420 N N -0.425 118.305 118.700 0.052 0.000 2.321 420 N HA 0.147 4.988 4.740 0.168 0.000 0.242 420 N C 0.592 176.061 175.510 -0.067 0.000 1.141 420 N CA -0.184 52.858 53.050 -0.014 0.000 0.864 420 N CB 0.240 38.709 38.487 -0.031 0.000 1.100 420 N HN 0.826 nan 8.380 nan 0.000 0.510 421 E N 0.100 120.107 120.200 -0.322 0.000 2.051 421 E HA -0.233 4.218 4.350 0.168 0.000 0.192 421 E C -0.281 176.162 176.600 -0.263 0.000 0.991 421 E CA 0.415 56.379 56.400 -0.728 0.000 0.799 421 E CB -0.161 28.458 29.700 -1.803 0.000 0.748 421 E HN 0.378 nan 8.360 nan 0.000 0.449 422 Y N 1.694 121.885 120.300 -0.182 0.000 2.944 422 Y HA -0.169 4.482 4.550 0.167 0.000 0.340 422 Y C 0.458 176.314 175.900 -0.072 0.000 1.275 422 Y CA 1.015 59.066 58.100 -0.081 0.000 1.590 422 Y CB 0.134 38.574 38.460 -0.034 0.000 1.218 422 Y HN 0.142 nan 8.280 nan 0.000 0.576 423 K N 3.267 123.372 120.400 -0.492 0.000 3.274 423 K HA -0.234 4.187 4.320 0.168 0.000 0.305 423 K C 0.857 177.377 176.600 -0.134 0.000 1.225 423 K CA 1.314 57.373 56.287 -0.380 0.000 0.904 423 K CB -1.614 30.613 32.500 -0.455 0.000 1.227 423 K HN 1.335 nan 8.250 nan 0.000 0.453 424 G N 0.022 108.761 108.800 -0.102 0.000 2.187 424 G HA2 -0.357 3.704 3.960 0.168 0.000 0.261 424 G HA3 -0.357 3.704 3.960 0.168 0.000 0.261 424 G C 0.038 174.895 174.900 -0.072 0.000 1.000 424 G CA 0.901 45.984 45.100 -0.028 0.000 0.718 424 G HN 0.447 nan 8.290 nan 0.000 0.519 425 M N -1.653 117.822 119.600 -0.209 0.000 2.088 425 M HA 0.458 5.038 4.480 0.168 0.000 0.346 425 M C -1.781 174.228 176.300 -0.484 0.000 1.111 425 M CA -2.163 52.786 55.300 -0.584 0.000 1.017 425 M CB 1.690 33.965 32.600 -0.541 0.000 1.568 425 M HN -0.182 nan 8.290 nan 0.000 0.445 426 P HA -0.092 nan 4.420 nan 0.000 0.219 426 P C 1.317 178.481 177.300 -0.226 0.000 1.146 426 P CA 1.417 64.335 63.100 -0.304 0.000 0.808 426 P CB 0.116 31.636 31.700 -0.299 0.000 0.779 427 G N -1.169 107.448 108.800 -0.305 0.000 3.314 427 G HA2 0.299 4.360 3.960 0.168 0.000 0.238 427 G HA3 0.299 4.360 3.960 0.168 0.000 0.238 427 G C 0.534 175.447 174.900 0.022 0.000 1.184 427 G CA 0.038 45.091 45.100 -0.079 0.000 0.806 427 G HN 0.364 nan 8.290 nan 0.000 0.536 428 G N -0.156 108.587 108.800 -0.096 0.000 2.432 428 G HA2 0.651 4.711 3.960 0.168 0.000 0.331 428 G HA3 0.651 4.711 3.960 0.168 0.000 0.331 428 G C -0.840 173.924 174.900 -0.228 0.000 1.170 428 G CA -0.779 44.283 45.100 -0.063 0.000 0.943 428 G HN 0.079 nan 8.290 nan 0.000 0.483 429 R N 1.215 121.533 120.500 -0.303 0.000 2.575 429 R HA 0.484 4.925 4.340 0.168 0.000 0.293 429 R C -1.232 175.039 176.300 -0.049 0.000 0.983 429 R CA -0.846 55.071 56.100 -0.306 0.000 0.887 429 R CB 2.187 32.066 30.300 -0.702 0.000 1.184 429 R HN 0.594 nan 8.270 nan 0.000 0.445 430 N N 1.680 120.370 118.700 -0.017 0.000 2.308 430 N HA 0.239 5.080 4.740 0.168 0.000 0.283 430 N C -1.331 174.086 175.510 -0.154 0.000 1.105 430 N CA -0.782 52.177 53.050 -0.151 0.000 0.840 430 N CB 2.719 41.027 38.487 -0.298 0.000 1.633 430 N HN 0.263 nan 8.380 nan 0.000 0.476 431 L N 2.451 123.446 121.223 -0.380 0.000 2.331 431 L HA 0.448 4.889 4.340 0.168 0.000 0.278 431 L C -1.343 175.211 176.870 -0.527 0.000 1.106 431 L CA 0.258 54.912 54.840 -0.310 0.000 0.824 431 L CB -0.219 41.651 42.059 -0.315 0.000 1.142 431 L HN 0.414 nan 8.230 nan 0.000 0.443 432 Y N 3.414 123.372 120.300 -0.570 0.000 2.605 432 Y HA 0.625 5.275 4.550 0.167 0.000 0.343 432 Y C -0.506 174.985 175.900 -0.682 0.000 1.036 432 Y CA -0.933 56.744 58.100 -0.705 0.000 1.065 432 Y CB 1.701 39.513 38.460 -1.081 0.000 1.288 432 Y HN 0.577 nan 8.280 nan 0.000 0.481 433 K N 1.758 121.930 120.400 -0.381 0.000 2.422 433 K HA 0.801 5.222 4.320 0.168 0.000 0.251 433 K C -1.969 174.553 176.600 -0.130 0.000 0.933 433 K CA -0.762 55.228 56.287 -0.495 0.000 0.798 433 K CB 2.915 34.837 32.500 -0.964 0.000 1.238 433 K HN 0.744 nan 8.250 nan 0.000 0.428 434 I N 1.692 122.278 120.570 0.026 0.000 2.498 434 I HA 0.176 4.447 4.170 0.168 0.000 0.290 434 I C -0.870 175.325 176.117 0.131 0.000 1.032 434 I CA -0.769 60.627 61.300 0.161 0.000 1.073 434 I CB 2.177 40.310 38.000 0.221 0.000 1.251 434 I HN 0.856 nan 8.210 nan 0.000 0.426 435 Q N 5.351 125.196 119.800 0.075 0.000 2.281 435 Q HA 0.106 4.547 4.340 0.168 0.000 0.267 435 Q C 0.176 176.106 176.000 -0.117 0.000 1.053 435 Q CA -0.404 55.260 55.803 -0.232 0.000 0.905 435 Q CB 1.102 29.726 28.738 -0.189 0.000 1.195 435 Q HN 0.760 nan 8.270 nan 0.000 0.398 436 L N 3.053 124.158 121.223 -0.197 0.000 2.353 436 L HA -0.132 4.308 4.340 0.168 0.000 0.220 436 L C 1.844 178.605 176.870 -0.182 0.000 1.133 436 L CA 1.394 56.194 54.840 -0.067 0.000 0.798 436 L CB -0.259 41.741 42.059 -0.098 0.000 0.922 436 L HN 0.546 nan 8.230 nan 0.000 0.445 437 S N -2.092 113.466 115.700 -0.237 0.000 2.503 437 S HA 0.062 4.633 4.470 0.168 0.000 0.217 437 S C 0.475 174.900 174.600 -0.292 0.000 0.999 437 S CA 0.116 58.163 58.200 -0.255 0.000 0.914 437 S CB 0.180 63.266 63.200 -0.191 0.000 0.782 437 S HN 0.345 nan 8.310 nan 0.000 0.520 438 D N -0.102 120.147 120.400 -0.251 0.000 2.337 438 D HA 0.169 4.910 4.640 0.168 0.000 0.238 438 D C -0.420 175.853 176.300 -0.046 0.000 1.331 438 D CA -0.376 53.510 54.000 -0.190 0.000 0.967 438 D CB 0.196 40.935 40.800 -0.102 0.000 1.382 438 D HN -0.033 nan 8.370 nan 0.000 0.549 439 Y N 1.078 121.354 120.300 -0.039 0.000 2.556 439 Y HA -0.103 4.548 4.550 0.169 0.000 0.290 439 Y C 2.379 178.284 175.900 0.008 0.000 1.149 439 Y CA 0.827 58.919 58.100 -0.015 0.000 1.329 439 Y CB -0.707 37.744 38.460 -0.014 0.000 0.975 439 Y HN 0.297 nan 8.280 nan 0.000 0.561 440 T N -0.409 114.222 114.554 0.128 0.000 3.055 440 T HA -0.053 4.398 4.350 0.168 0.000 0.265 440 T C 0.732 175.480 174.700 0.080 0.000 1.111 440 T CA 0.594 62.745 62.100 0.086 0.000 1.118 440 T CB -0.162 68.731 68.868 0.041 0.000 0.909 440 T HN 0.197 nan 8.240 nan 0.000 0.501 441 K N 2.083 122.531 120.400 0.080 0.000 2.206 441 K HA 0.439 4.860 4.320 0.168 0.000 0.268 441 K C -1.046 175.622 176.600 0.114 0.000 1.111 441 K CA -0.215 56.120 56.287 0.080 0.000 0.955 441 K CB 1.306 33.842 32.500 0.061 0.000 1.406 441 K HN -0.006 nan 8.250 nan 0.000 0.427 442 V N 2.880 122.861 119.914 0.111 0.000 2.417 442 V HA 0.377 4.598 4.120 0.168 0.000 0.291 442 V C -0.901 175.245 176.094 0.086 0.000 1.024 442 V CA -0.125 62.253 62.300 0.130 0.000 0.861 442 V CB 1.872 33.798 31.823 0.172 0.000 0.985 442 V HN 0.628 nan 8.190 nan 0.000 0.436 443 T N 6.047 120.617 114.554 0.028 0.000 2.812 443 T HA 0.290 4.740 4.350 0.168 0.000 0.282 443 T C -0.604 173.977 174.700 -0.198 0.000 0.990 443 T CA -0.251 61.805 62.100 -0.072 0.000 0.960 443 T CB 1.056 69.849 68.868 -0.125 0.000 0.948 443 T HN 0.858 nan 8.240 nan 0.000 0.438 444 C N 5.435 124.536 119.300 -0.332 0.000 2.394 444 C HA 0.435 4.995 4.460 0.168 0.000 0.362 444 C C 1.638 176.273 174.990 -0.592 0.000 1.268 444 C CA -0.599 57.945 59.018 -0.791 0.000 1.828 444 C CB -1.770 25.389 27.740 -0.968 0.000 2.442 444 C HN 0.987 nan 8.230 nan 0.000 0.549 445 L N 4.692 125.551 121.223 -0.606 0.000 2.509 445 L HA 0.093 4.534 4.340 0.168 0.000 0.222 445 L C 2.015 178.574 176.870 -0.519 0.000 1.123 445 L CA 0.847 55.422 54.840 -0.442 0.000 0.856 445 L CB -0.270 41.586 42.059 -0.339 0.000 0.985 445 L HN 0.895 nan 8.230 nan 0.000 0.456 446 S N -3.532 111.733 115.700 -0.725 0.000 2.649 446 S HA 0.005 4.576 4.470 0.168 0.000 0.246 446 S C 1.761 175.897 174.600 -0.774 0.000 1.057 446 S CA -0.164 57.492 58.200 -0.907 0.000 1.051 446 S CB -0.281 61.941 63.200 -1.631 0.000 1.018 446 S HN 0.274 nan 8.310 nan 0.000 0.569 447 C N 2.251 121.078 119.300 -0.788 0.000 2.376 447 C HA -0.039 4.522 4.460 0.168 0.000 0.275 447 C C 2.590 177.267 174.990 -0.522 0.000 1.200 447 C CA 1.611 60.092 59.018 -0.894 0.000 1.756 447 C CB -1.082 25.886 27.740 -1.287 0.000 2.050 447 C HN 0.611 nan 8.230 nan 0.000 0.460 448 E N 0.096 120.077 120.200 -0.363 0.000 2.474 448 E HA 0.136 4.586 4.350 0.168 0.000 0.194 448 E C 1.978 178.520 176.600 -0.097 0.000 1.041 448 E CA 0.010 56.310 56.400 -0.167 0.000 0.874 448 E CB -0.274 29.348 29.700 -0.130 0.000 0.914 448 E HN 0.560 nan 8.360 nan 0.000 0.498 449 L N 0.296 121.452 121.223 -0.112 0.000 2.013 449 L HA -0.160 4.281 4.340 0.168 0.000 0.212 449 L C 0.988 177.866 176.870 0.013 0.000 1.073 449 L CA 1.101 55.923 54.840 -0.031 0.000 0.753 449 L CB -0.173 41.887 42.059 0.002 0.000 0.890 449 L HN 0.152 nan 8.230 nan 0.000 0.432 450 N N -1.603 117.121 118.700 0.039 0.000 3.029 450 N HA 0.066 4.907 4.740 0.168 0.000 0.198 450 N C -2.060 173.484 175.510 0.056 0.000 1.444 450 N CA -0.798 52.275 53.050 0.038 0.000 0.784 450 N CB 0.697 39.201 38.487 0.028 0.000 1.539 450 N HN -0.181 nan 8.380 nan 0.000 0.582 451 P HA -0.172 nan 4.420 nan 0.000 0.217 451 P C 0.828 178.180 177.300 0.087 0.000 1.151 451 P CA 1.266 64.430 63.100 0.106 0.000 0.849 451 P CB 0.614 32.390 31.700 0.127 0.000 0.787 452 E N -0.354 119.876 120.200 0.050 0.000 2.106 452 E HA -0.153 4.297 4.350 0.168 0.000 0.192 452 E C 2.313 178.919 176.600 0.010 0.000 0.984 452 E CA 0.902 57.319 56.400 0.030 0.000 0.806 452 E CB -0.237 29.471 29.700 0.014 0.000 0.750 452 E HN 0.346 nan 8.360 nan 0.000 0.458 453 R N -0.319 120.178 120.500 -0.006 0.000 2.206 453 R HA 0.080 4.521 4.340 0.168 0.000 0.198 453 R C 0.052 176.314 176.300 -0.064 0.000 0.986 453 R CA 0.379 56.452 56.100 -0.045 0.000 1.029 453 R CB 0.515 30.774 30.300 -0.067 0.000 0.966 453 R HN -0.004 nan 8.270 nan 0.000 0.487 454 c N 1.052 119.633 118.600 -0.032 0.000 2.322 454 c HA 0.433 5.104 4.570 0.168 0.000 0.324 454 c C 0.042 174.168 174.090 0.061 0.000 1.249 454 c CA -0.635 55.637 56.329 -0.095 0.000 1.453 454 c CB 1.434 43.833 42.510 -0.186 0.000 2.145 454 c HN 0.536 nan 8.230 nan 0.000 0.466 455 Q N 0.406 120.233 119.800 0.044 0.000 2.113 455 Q HA 0.210 4.651 4.340 0.168 0.000 0.225 455 Q C -0.998 175.114 176.000 0.187 0.000 0.786 455 Q CA 0.119 56.023 55.803 0.168 0.000 0.989 455 Q CB 1.246 30.077 28.738 0.155 0.000 1.174 455 Q HN 0.798 nan 8.270 nan 0.000 0.470 456 Y N 0.356 120.608 120.300 -0.079 0.000 2.327 456 Y HA 0.415 5.066 4.550 0.168 0.000 0.325 456 Y C -1.562 174.228 175.900 -0.183 0.000 0.999 456 Y CA -1.013 57.052 58.100 -0.058 0.000 1.195 456 Y CB 0.925 39.341 38.460 -0.073 0.000 1.132 456 Y HN -0.093 nan 8.280 nan 0.000 0.455 457 Y N 2.037 122.306 120.300 -0.052 0.000 2.562 457 Y HA 0.686 5.337 4.550 0.169 0.000 0.343 457 Y C -0.095 175.791 175.900 -0.023 0.000 1.025 457 Y CA -0.786 57.294 58.100 -0.033 0.000 1.082 457 Y CB 2.422 40.825 38.460 -0.096 0.000 1.264 457 Y HN 0.496 nan 8.280 nan 0.000 0.478 458 S N 0.664 116.483 115.700 0.198 0.000 2.595 458 S HA 0.863 5.434 4.470 0.168 0.000 0.281 458 S C -1.777 172.914 174.600 0.153 0.000 1.117 458 S CA -0.724 57.572 58.200 0.160 0.000 0.873 458 S CB 1.777 65.079 63.200 0.170 0.000 1.108 458 S HN 0.674 nan 8.310 nan 0.000 0.477 459 V N 0.580 120.577 119.914 0.140 0.000 3.102 459 V HA 0.914 5.135 4.120 0.168 0.000 0.312 459 V C -1.127 175.046 176.094 0.133 0.000 1.135 459 V CA -0.286 62.061 62.300 0.078 0.000 1.022 459 V CB 2.328 34.110 31.823 -0.067 0.000 1.056 459 V HN 1.245 nan 8.190 nan 0.000 0.436 460 S N 3.877 119.629 115.700 0.087 0.000 2.775 460 S HA 0.641 5.211 4.470 0.168 0.000 0.277 460 S C -1.244 173.475 174.600 0.198 0.000 1.156 460 S CA -0.417 57.936 58.200 0.256 0.000 1.081 460 S CB 0.329 63.738 63.200 0.348 0.000 1.054 460 S HN 0.496 nan 8.310 nan 0.000 0.482 461 F N 2.880 122.888 119.950 0.097 0.000 2.370 461 F HA 0.502 5.129 4.527 0.167 0.000 0.324 461 F C 1.426 176.834 175.800 -0.654 0.000 1.116 461 F CA -0.320 57.574 58.000 -0.177 0.000 1.123 461 F CB 1.283 40.156 39.000 -0.212 0.000 1.238 461 F HN 0.614 nan 8.300 nan 0.000 0.536 462 S N 1.331 116.489 115.700 -0.904 0.000 2.624 462 S HA 0.201 4.771 4.470 0.168 0.000 0.263 462 S C 1.160 175.547 174.600 -0.355 0.000 1.287 462 S CA -0.870 56.580 58.200 -1.249 0.000 0.990 462 S CB 0.878 63.372 63.200 -1.177 0.000 0.950 462 S HN 0.522 nan 8.310 nan 0.000 0.561 463 K N 1.097 121.422 120.400 -0.126 0.000 2.097 463 K HA -0.161 4.260 4.320 0.168 0.000 0.214 463 K C 0.844 177.437 176.600 -0.012 0.000 1.052 463 K CA 1.833 58.128 56.287 0.015 0.000 0.932 463 K CB -0.439 32.115 32.500 0.091 0.000 0.716 463 K HN 0.749 nan 8.250 nan 0.000 0.455 464 E N -0.723 119.441 120.200 -0.059 0.000 2.736 464 E HA 0.264 4.714 4.350 0.168 0.000 0.208 464 E C -0.147 176.390 176.600 -0.104 0.000 0.996 464 E CA 0.090 56.457 56.400 -0.055 0.000 1.104 464 E CB 0.614 30.292 29.700 -0.036 0.000 1.111 464 E HN 0.235 nan 8.360 nan 0.000 0.455 465 A N 1.723 124.468 122.820 -0.125 0.000 2.798 465 A HA -0.323 4.098 4.320 0.168 0.000 0.282 465 A C 1.516 179.037 177.584 -0.105 0.000 1.464 465 A CA 1.829 53.800 52.037 -0.110 0.000 0.844 465 A CB -1.865 16.935 19.000 -0.334 0.000 1.006 465 A HN 0.333 nan 8.150 nan 0.000 0.577 466 K N -1.950 118.325 120.400 -0.208 0.000 2.228 466 K HA 0.159 4.580 4.320 0.168 0.000 0.202 466 K C 0.070 176.322 176.600 -0.580 0.000 1.051 466 K CA 1.287 57.333 56.287 -0.403 0.000 0.960 466 K CB 0.011 32.193 32.500 -0.530 0.000 0.743 466 K HN 0.668 nan 8.250 nan 0.000 0.458 467 Y N -1.193 119.017 120.300 -0.149 0.000 2.615 467 Y HA 0.338 4.988 4.550 0.168 0.000 0.341 467 Y C -1.100 174.726 175.900 -0.122 0.000 1.089 467 Y CA -1.345 56.677 58.100 -0.130 0.000 1.049 467 Y CB 1.695 40.061 38.460 -0.157 0.000 1.296 467 Y HN -0.023 nan 8.280 nan 0.000 0.470 468 Y N -1.112 119.169 120.300 -0.031 0.000 2.552 468 Y HA 0.527 5.177 4.550 0.167 0.000 0.337 468 Y C -1.413 174.499 175.900 0.021 0.000 1.094 468 Y CA -1.463 56.469 58.100 -0.279 0.000 1.028 468 Y CB 1.537 39.333 38.460 -1.107 0.000 1.321 468 Y HN 0.597 nan 8.280 nan 0.000 0.456 469 Q N 3.725 123.632 119.800 0.178 0.000 2.307 469 Q HA 0.571 5.011 4.340 0.168 0.000 0.262 469 Q C -1.778 174.311 176.000 0.147 0.000 0.961 469 Q CA -0.695 55.193 55.803 0.141 0.000 0.882 469 Q CB 1.339 30.147 28.738 0.118 0.000 1.264 469 Q HN 0.953 nan 8.270 nan 0.000 0.446 470 L N 4.251 125.579 121.223 0.176 0.000 2.307 470 L HA 0.522 4.963 4.340 0.168 0.000 0.282 470 L C -0.192 176.759 176.870 0.136 0.000 1.051 470 L CA -0.530 54.423 54.840 0.188 0.000 0.804 470 L CB 1.263 43.448 42.059 0.210 0.000 1.197 470 L HN 0.623 nan 8.230 nan 0.000 0.431 471 R N 2.426 122.984 120.500 0.096 0.000 2.358 471 R HA 0.295 4.736 4.340 0.168 0.000 0.309 471 R C -1.030 175.101 176.300 -0.281 0.000 1.026 471 R CA -0.473 55.528 56.100 -0.165 0.000 0.909 471 R CB 1.519 31.812 30.300 -0.012 0.000 1.153 471 R HN 0.600 nan 8.270 nan 0.000 0.515 472 c N 2.731 121.012 118.600 -0.532 0.000 2.307 472 c HA 0.424 5.095 4.570 0.168 0.000 0.340 472 c C 1.335 175.156 174.090 -0.450 0.000 1.275 472 c CA -0.298 55.607 56.329 -0.706 0.000 1.811 472 c CB 0.175 42.188 42.510 -0.828 0.000 2.372 472 c HN 0.950 nan 8.230 nan 0.000 0.531 473 S N 3.710 119.250 115.700 -0.267 0.000 2.754 473 S HA 0.630 5.200 4.470 0.168 0.000 0.247 473 S C 0.271 174.822 174.600 -0.082 0.000 1.031 473 S CA 0.218 58.329 58.200 -0.149 0.000 1.014 473 S CB -0.070 63.080 63.200 -0.083 0.000 0.918 473 S HN 1.998 nan 8.310 nan 0.000 0.519 474 G N 1.861 110.596 108.800 -0.108 0.000 2.328 474 G HA2 0.380 4.441 3.960 0.168 0.000 0.299 474 G HA3 0.380 4.441 3.960 0.168 0.000 0.299 474 G C -3.011 171.868 174.900 -0.036 0.000 1.435 474 G CA -0.537 44.543 45.100 -0.034 0.000 0.865 474 G HN -0.118 nan 8.290 nan 0.000 0.601 475 P HA 0.107 nan 4.420 nan 0.000 0.229 475 P C 1.301 178.600 177.300 -0.003 0.000 1.160 475 P CA 1.378 64.496 63.100 0.030 0.000 0.777 475 P CB 0.376 32.097 31.700 0.035 0.000 0.814 476 G N 0.424 109.163 108.800 -0.102 0.000 2.535 476 G HA2 0.396 4.457 3.960 0.168 0.000 0.282 476 G HA3 0.396 4.457 3.960 0.168 0.000 0.282 476 G C -0.230 174.410 174.900 -0.433 0.000 1.350 476 G CA -0.740 44.221 45.100 -0.231 0.000 1.039 476 G HN 0.043 nan 8.290 nan 0.000 0.509 477 L N 1.080 121.966 121.223 -0.561 0.000 2.456 477 L HA 0.162 4.603 4.340 0.168 0.000 0.272 477 L C -1.882 174.800 176.870 -0.313 0.000 1.189 477 L CA -1.291 53.172 54.840 -0.628 0.000 0.846 477 L CB 0.646 42.432 42.059 -0.455 0.000 1.111 477 L HN 0.237 nan 8.230 nan 0.000 0.475 478 P HA 0.002 nan 4.420 nan 0.000 0.264 478 P C -0.921 176.261 177.300 -0.198 0.000 1.183 478 P CA 0.054 63.038 63.100 -0.193 0.000 0.763 478 P CB 0.506 32.181 31.700 -0.040 0.000 0.807 479 L N 5.674 126.687 121.223 -0.350 0.000 2.406 479 L HA 0.483 4.924 4.340 0.168 0.000 0.272 479 L C -1.705 174.960 176.870 -0.342 0.000 0.980 479 L CA -0.762 53.946 54.840 -0.220 0.000 0.831 479 L CB 0.814 42.780 42.059 -0.156 0.000 1.253 479 L HN 0.213 nan 8.230 nan 0.000 0.406 480 Y N 2.717 122.964 120.300 -0.087 0.000 2.341 480 Y HA 0.778 5.427 4.550 0.166 0.000 0.337 480 Y C 0.589 176.375 175.900 -0.190 0.000 1.014 480 Y CA -0.502 57.528 58.100 -0.118 0.000 1.111 480 Y CB 2.053 40.422 38.460 -0.151 0.000 1.194 480 Y HN 0.693 nan 8.280 nan 0.000 0.462 481 T N 0.942 115.489 114.554 -0.011 0.000 2.896 481 T HA 0.717 5.168 4.350 0.168 0.000 0.297 481 T C -1.222 173.368 174.700 -0.183 0.000 1.108 481 T CA -0.958 61.062 62.100 -0.132 0.000 1.004 481 T CB 1.639 70.469 68.868 -0.064 0.000 1.159 481 T HN 0.553 nan 8.240 nan 0.000 0.499 482 L N 1.321 122.304 121.223 -0.400 0.000 2.334 482 L HA 0.690 5.131 4.340 0.168 0.000 0.273 482 L C -0.939 175.523 176.870 -0.679 0.000 1.013 482 L CA -0.847 53.792 54.840 -0.335 0.000 0.816 482 L CB 1.700 43.623 42.059 -0.227 0.000 1.278 482 L HN 0.886 nan 8.230 nan 0.000 0.431 483 H N -0.322 118.504 119.070 -0.407 0.000 2.985 483 H HA 0.457 5.114 4.556 0.168 0.000 0.360 483 H C -0.846 174.296 175.328 -0.311 0.000 1.221 483 H CA -0.773 54.961 56.048 -0.522 0.000 1.121 483 H CB 1.946 31.053 29.762 -1.092 0.000 1.854 483 H HN 0.439 nan 8.280 nan 0.000 0.551 484 S N -0.207 115.485 115.700 -0.014 0.000 2.454 484 S HA 0.288 4.858 4.470 0.168 0.000 0.306 484 S C 0.223 174.849 174.600 0.043 0.000 1.100 484 S CA -0.831 57.392 58.200 0.039 0.000 1.087 484 S CB 1.669 64.907 63.200 0.063 0.000 1.019 484 S HN 0.569 nan 8.310 nan 0.000 0.480 485 S N 1.776 117.504 115.700 0.045 0.000 2.481 485 S HA -0.085 4.486 4.470 0.168 0.000 0.231 485 S C 1.785 176.417 174.600 0.053 0.000 0.996 485 S CA 0.650 58.940 58.200 0.149 0.000 0.942 485 S CB -0.282 62.977 63.200 0.099 0.000 0.768 485 S HN 0.668 nan 8.310 nan 0.000 0.520 486 V N 3.429 123.330 119.914 -0.022 0.000 2.332 486 V HA -0.205 4.016 4.120 0.168 0.000 0.248 486 V C 1.025 177.125 176.094 0.011 0.000 1.055 486 V CA 2.294 64.589 62.300 -0.009 0.000 1.038 486 V CB -0.388 31.416 31.823 -0.033 0.000 0.651 486 V HN 0.806 nan 8.190 nan 0.000 0.450 487 N N -2.705 116.004 118.700 0.015 0.000 2.217 487 N HA 0.136 4.977 4.740 0.168 0.000 0.239 487 N C -0.047 175.476 175.510 0.023 0.000 1.330 487 N CA 0.327 53.383 53.050 0.010 0.000 0.838 487 N CB 0.172 38.665 38.487 0.010 0.000 1.287 487 N HN 0.359 nan 8.380 nan 0.000 0.498 488 D N -0.070 120.371 120.400 0.068 0.000 2.911 488 D HA -0.235 4.506 4.640 0.168 0.000 0.227 488 D C -0.375 175.978 176.300 0.088 0.000 1.164 488 D CA 0.911 54.985 54.000 0.123 0.000 0.782 488 D CB -0.638 40.216 40.800 0.091 0.000 1.094 488 D HN 0.644 nan 8.370 nan 0.000 0.425 489 K N 1.229 121.659 120.400 0.051 0.000 2.412 489 K HA 0.260 4.681 4.320 0.168 0.000 0.281 489 K C 0.600 177.206 176.600 0.009 0.000 1.027 489 K CA 0.311 56.615 56.287 0.029 0.000 0.989 489 K CB 0.586 33.093 32.500 0.011 0.000 0.935 489 K HN 0.069 nan 8.250 nan 0.000 0.475 490 G N 4.677 113.470 108.800 -0.013 0.000 2.358 490 G HA2 0.170 4.231 3.960 0.168 0.000 0.273 490 G HA3 0.170 4.231 3.960 0.168 0.000 0.273 490 G C 0.808 175.569 174.900 -0.232 0.000 1.215 490 G CA -0.532 44.436 45.100 -0.221 0.000 0.910 490 G HN 0.733 nan 8.290 nan 0.000 0.467 491 L N 1.849 122.885 121.223 -0.311 0.000 2.095 491 L HA 0.238 4.679 4.340 0.168 0.000 0.204 491 L C 1.700 178.463 176.870 -0.179 0.000 1.080 491 L CA 0.997 55.726 54.840 -0.186 0.000 0.759 491 L CB -0.276 41.687 42.059 -0.159 0.000 0.914 491 L HN 0.821 nan 8.230 nan 0.000 0.439 492 R N -2.696 117.652 120.500 -0.254 0.000 2.979 492 R HA 0.323 4.763 4.340 0.168 0.000 0.286 492 R C -1.743 174.416 176.300 -0.235 0.000 0.972 492 R CA -0.967 55.015 56.100 -0.197 0.000 0.828 492 R CB 0.920 31.133 30.300 -0.144 0.000 1.368 492 R HN -0.295 nan 8.270 nan 0.000 0.511 493 V N 2.225 122.031 119.914 -0.180 0.000 2.439 493 V HA 0.269 4.489 4.120 0.168 0.000 0.282 493 V C 1.165 177.114 176.094 -0.242 0.000 1.039 493 V CA -0.560 61.634 62.300 -0.177 0.000 0.913 493 V CB 1.318 33.076 31.823 -0.108 0.000 0.983 493 V HN 0.621 nan 8.190 nan 0.000 0.460 494 L N 2.400 123.408 121.223 -0.357 0.000 2.253 494 L HA 0.318 4.759 4.340 0.168 0.000 0.205 494 L C 0.639 177.276 176.870 -0.389 0.000 1.078 494 L CA 0.649 55.087 54.840 -0.669 0.000 0.805 494 L CB 0.263 41.482 42.059 -1.401 0.000 0.963 494 L HN 0.717 nan 8.230 nan 0.000 0.459 495 E N -0.060 120.050 120.200 -0.150 0.000 2.406 495 E HA 0.074 4.525 4.350 0.168 0.000 0.297 495 E C -1.195 175.465 176.600 0.100 0.000 0.917 495 E CA -0.369 56.050 56.400 0.032 0.000 0.795 495 E CB 1.020 30.777 29.700 0.095 0.000 1.285 495 E HN 0.167 nan 8.360 nan 0.000 0.400 496 D N 3.071 123.501 120.400 0.049 0.000 2.395 496 D HA 0.163 4.904 4.640 0.168 0.000 0.213 496 D C -0.192 176.120 176.300 0.020 0.000 1.110 496 D CA -0.235 53.779 54.000 0.023 0.000 0.835 496 D CB 0.007 40.800 40.800 -0.012 0.000 0.965 496 D HN 0.449 nan 8.370 nan 0.000 0.505 497 N N 0.278 119.012 118.700 0.057 0.000 2.725 497 N HA -0.236 4.605 4.740 0.168 0.000 0.249 497 N C 1.025 176.545 175.510 0.018 0.000 1.103 497 N CA 0.921 54.000 53.050 0.048 0.000 0.707 497 N CB -1.287 37.220 38.487 0.034 0.000 1.043 497 N HN 0.501 nan 8.380 nan 0.000 0.553 498 S N -1.049 114.661 115.700 0.017 0.000 2.382 498 S HA -0.079 4.492 4.470 0.168 0.000 0.228 498 S C 2.117 176.732 174.600 0.025 0.000 1.027 498 S CA 1.117 59.322 58.200 0.009 0.000 0.991 498 S CB -0.197 63.009 63.200 0.010 0.000 0.823 498 S HN 0.502 nan 8.310 nan 0.000 0.469 499 A N 2.275 125.120 122.820 0.042 0.000 1.865 499 A HA -0.015 4.406 4.320 0.168 0.000 0.217 499 A C 2.279 179.906 177.584 0.072 0.000 1.191 499 A CA 1.802 53.873 52.037 0.057 0.000 0.623 499 A CB -1.101 17.938 19.000 0.066 0.000 0.826 499 A HN 0.576 nan 8.150 nan 0.000 0.444 500 L N 0.207 121.478 121.223 0.079 0.000 2.083 500 L HA -0.164 4.277 4.340 0.168 0.000 0.209 500 L C 1.881 178.784 176.870 0.056 0.000 1.083 500 L CA 2.793 57.695 54.840 0.103 0.000 0.752 500 L CB -0.740 41.386 42.059 0.111 0.000 0.899 500 L HN 0.498 nan 8.230 nan 0.000 0.433 501 D N -0.902 119.505 120.400 0.011 0.000 2.123 501 D HA -0.203 4.538 4.640 0.168 0.000 0.196 501 D C 2.044 178.344 176.300 0.001 0.000 0.992 501 D CA 1.122 55.108 54.000 -0.022 0.000 0.833 501 D CB 0.120 40.896 40.800 -0.040 0.000 0.954 501 D HN 0.120 nan 8.370 nan 0.000 0.455 502 K N -0.067 120.348 120.400 0.024 0.000 2.009 502 K HA -0.114 4.306 4.320 0.168 0.000 0.210 502 K C 2.286 178.919 176.600 0.054 0.000 1.049 502 K CA 0.909 57.217 56.287 0.035 0.000 0.929 502 K CB -0.594 31.932 32.500 0.043 0.000 0.714 502 K HN 0.363 nan 8.250 nan 0.000 0.440 503 M N 0.486 120.140 119.600 0.090 0.000 2.149 503 M HA -0.167 4.414 4.480 0.168 0.000 0.261 503 M C 2.144 178.486 176.300 0.070 0.000 1.064 503 M CA 1.432 56.822 55.300 0.151 0.000 1.102 503 M CB -0.308 32.463 32.600 0.285 0.000 1.369 503 M HN 0.059 nan 8.290 nan 0.000 0.408 504 L N -0.027 121.184 121.223 -0.019 0.000 2.291 504 L HA -0.183 4.258 4.340 0.168 0.000 0.214 504 L C 2.486 179.320 176.870 -0.061 0.000 1.120 504 L CA 0.795 55.564 54.840 -0.117 0.000 0.799 504 L CB -0.598 41.393 42.059 -0.114 0.000 0.925 504 L HN 0.470 nan 8.230 nan 0.000 0.446 505 Q N -1.079 118.710 119.800 -0.019 0.000 2.488 505 Q HA -0.108 4.333 4.340 0.168 0.000 0.211 505 Q C 1.072 177.081 176.000 0.014 0.000 0.967 505 Q CA 0.785 56.585 55.803 -0.006 0.000 0.926 505 Q CB -0.256 28.483 28.738 0.002 0.000 0.992 505 Q HN 0.427 nan 8.270 nan 0.000 0.506 506 N N 0.727 119.444 118.700 0.027 0.000 2.322 506 N HA 0.103 4.944 4.740 0.168 0.000 0.194 506 N C -0.869 174.676 175.510 0.059 0.000 1.126 506 N CA 0.146 53.229 53.050 0.055 0.000 0.845 506 N CB 1.394 39.934 38.487 0.087 0.000 0.976 506 N HN 0.112 nan 8.380 nan 0.000 0.475 507 V N 0.772 120.699 119.914 0.021 0.000 2.925 507 V HA 0.234 4.454 4.120 0.168 0.000 0.311 507 V C -1.068 175.034 176.094 0.012 0.000 1.104 507 V CA -0.757 61.560 62.300 0.028 0.000 0.954 507 V CB 2.342 34.157 31.823 -0.014 0.000 1.022 507 V HN -0.014 nan 8.190 nan 0.000 0.427 508 Q N 6.102 125.928 119.800 0.043 0.000 2.513 508 Q HA 0.313 4.754 4.340 0.168 0.000 0.227 508 Q C -0.365 175.621 176.000 -0.023 0.000 1.257 508 Q CA -0.143 55.666 55.803 0.009 0.000 0.915 508 Q CB 0.456 29.235 28.738 0.069 0.000 1.507 508 Q HN 0.566 nan 8.270 nan 0.000 0.543 509 M N 3.657 123.220 119.600 -0.062 0.000 2.241 509 M HA 0.322 4.903 4.480 0.168 0.000 0.335 509 M C -1.962 174.275 176.300 -0.105 0.000 1.122 509 M CA -2.371 52.880 55.300 -0.081 0.000 1.164 509 M CB -0.023 32.528 32.600 -0.081 0.000 1.459 509 M HN 0.301 nan 8.290 nan 0.000 0.461 510 P HA 0.255 nan 4.420 nan 0.000 0.279 510 P C -0.903 176.323 177.300 -0.124 0.000 1.252 510 P CA -0.392 62.629 63.100 -0.133 0.000 0.811 510 P CB 0.785 32.399 31.700 -0.144 0.000 1.035 511 S N 0.266 115.877 115.700 -0.147 0.000 2.681 511 S HA 0.556 5.126 4.470 0.168 0.000 0.299 511 S C -0.406 174.110 174.600 -0.141 0.000 1.113 511 S CA -0.784 57.341 58.200 -0.125 0.000 1.013 511 S CB 1.632 64.754 63.200 -0.130 0.000 1.076 511 S HN 0.504 nan 8.310 nan 0.000 0.534 512 K N 0.714 121.057 120.400 -0.094 0.000 2.376 512 K HA 0.380 4.801 4.320 0.168 0.000 0.257 512 K C -1.242 175.322 176.600 -0.060 0.000 0.939 512 K CA -0.508 55.733 56.287 -0.077 0.000 0.809 512 K CB 1.190 33.671 32.500 -0.032 0.000 1.121 512 K HN 0.739 nan 8.250 nan 0.000 0.425 513 K N 5.954 126.312 120.400 -0.069 0.000 2.339 513 K HA 0.302 4.723 4.320 0.168 0.000 0.264 513 K C -1.382 175.217 176.600 -0.001 0.000 0.986 513 K CA -0.630 55.632 56.287 -0.041 0.000 0.866 513 K CB 0.954 33.409 32.500 -0.075 0.000 1.103 513 K HN 0.584 nan 8.250 nan 0.000 0.441 514 L N 4.769 126.005 121.223 0.022 0.000 2.294 514 L HA 0.425 4.866 4.340 0.168 0.000 0.283 514 L C -1.119 175.779 176.870 0.047 0.000 1.015 514 L CA -0.195 54.687 54.840 0.071 0.000 0.831 514 L CB 1.076 43.235 42.059 0.166 0.000 1.217 514 L HN 0.854 nan 8.230 nan 0.000 0.420 515 D N 2.953 123.191 120.400 -0.271 0.000 2.895 515 D HA 0.503 5.243 4.640 0.168 0.000 0.320 515 D C -1.418 174.462 176.300 -0.700 0.000 1.249 515 D CA -0.020 53.715 54.000 -0.441 0.000 0.997 515 D CB 2.147 42.678 40.800 -0.448 0.000 1.430 515 D HN 0.222 nan 8.370 nan 0.000 0.558 516 F N -0.283 119.267 119.950 -0.668 0.000 2.692 516 F HA 0.749 5.376 4.527 0.167 0.000 0.320 516 F C -0.976 174.869 175.800 0.076 0.000 1.123 516 F CA -1.037 56.706 58.000 -0.429 0.000 0.961 516 F CB 0.997 39.344 39.000 -1.088 0.000 1.383 516 F HN 0.300 nan 8.300 nan 0.000 0.483 517 I N -0.249 120.602 120.570 0.469 0.000 2.969 517 I HA 0.689 4.959 4.170 0.168 0.000 0.307 517 I C -1.655 174.720 176.117 0.430 0.000 1.149 517 I CA -1.257 60.248 61.300 0.341 0.000 1.008 517 I CB 2.603 40.756 38.000 0.255 0.000 1.232 517 I HN 0.659 nan 8.210 nan 0.000 0.435 518 I N 4.514 125.262 120.570 0.297 0.000 2.354 518 I HA 0.446 4.717 4.170 0.168 0.000 0.292 518 I C -0.853 175.407 176.117 0.238 0.000 0.989 518 I CA -0.598 60.864 61.300 0.269 0.000 1.188 518 I CB 1.785 39.902 38.000 0.195 0.000 1.342 518 I HN 0.367 nan 8.210 nan 0.000 0.457 519 L N 6.522 127.944 121.223 0.332 0.000 2.372 519 L HA 0.415 4.856 4.340 0.168 0.000 0.273 519 L C -0.549 176.462 176.870 0.235 0.000 0.989 519 L CA -0.659 54.340 54.840 0.266 0.000 0.841 519 L CB 1.246 43.475 42.059 0.285 0.000 1.225 519 L HN 0.641 nan 8.230 nan 0.000 0.414 520 N N 3.276 122.049 118.700 0.122 0.000 2.727 520 N HA -0.197 4.644 4.740 0.168 0.000 0.251 520 N C 0.379 175.934 175.510 0.075 0.000 1.040 520 N CA 1.087 54.186 53.050 0.081 0.000 0.712 520 N CB -0.680 37.848 38.487 0.068 0.000 0.912 520 N HN 0.814 nan 8.380 nan 0.000 0.545 521 E N -4.635 115.604 120.200 0.065 0.000 4.934 521 E HA -0.249 4.202 4.350 0.168 0.000 0.166 521 E C 0.003 176.614 176.600 0.018 0.000 1.091 521 E CA 2.096 58.519 56.400 0.038 0.000 2.341 521 E CB -1.605 28.106 29.700 0.019 0.000 1.744 521 E HN 0.557 nan 8.360 nan 0.000 0.492 522 T N 3.957 118.521 114.554 0.015 0.000 2.884 522 T HA 0.276 4.726 4.350 0.168 0.000 0.298 522 T C 0.510 175.094 174.700 -0.193 0.000 0.998 522 T CA 0.007 62.030 62.100 -0.128 0.000 1.124 522 T CB 0.868 69.620 68.868 -0.192 0.000 0.931 522 T HN 0.121 nan 8.240 nan 0.000 0.531 523 K N 2.456 122.657 120.400 -0.331 0.000 2.143 523 K HA 0.566 4.987 4.320 0.168 0.000 0.272 523 K C -1.260 175.066 176.600 -0.457 0.000 1.001 523 K CA -0.603 55.533 56.287 -0.251 0.000 0.915 523 K CB 0.974 33.204 32.500 -0.449 0.000 1.047 523 K HN 0.362 nan 8.250 nan 0.000 0.458 524 F N 1.019 121.075 119.950 0.175 0.000 2.547 524 F HA 0.342 4.969 4.527 0.167 0.000 0.316 524 F C -0.729 175.252 175.800 0.302 0.000 1.121 524 F CA -0.808 57.326 58.000 0.224 0.000 0.911 524 F CB 1.163 40.276 39.000 0.188 0.000 1.179 524 F HN 0.526 nan 8.300 nan 0.000 0.443 525 W N 3.056 124.554 121.300 0.330 0.000 2.215 525 W HA 0.514 5.275 4.660 0.167 0.000 0.342 525 W C -0.539 176.240 176.519 0.434 0.000 1.237 525 W CA -0.464 57.079 57.345 0.330 0.000 1.283 525 W CB 0.457 30.025 29.460 0.179 0.000 1.131 525 W HN 0.453 nan 8.180 nan 0.000 0.606 526 Y N -0.942 119.738 120.300 0.633 0.000 2.670 526 Y HA 0.642 5.292 4.550 0.166 0.000 0.334 526 Y C -1.139 175.008 175.900 0.411 0.000 1.185 526 Y CA -1.993 56.463 58.100 0.593 0.000 1.053 526 Y CB 0.989 39.951 38.460 0.836 0.000 1.298 526 Y HN 0.563 nan 8.280 nan 0.000 0.459 527 Q N 1.669 121.786 119.800 0.529 0.000 2.421 527 Q HA 0.780 5.221 4.340 0.168 0.000 0.280 527 Q C -1.862 174.285 176.000 0.245 0.000 1.085 527 Q CA -1.201 54.773 55.803 0.286 0.000 0.807 527 Q CB 3.415 32.265 28.738 0.187 0.000 1.405 527 Q HN 0.846 nan 8.270 nan 0.000 0.419 528 M N 2.466 122.127 119.600 0.101 0.000 2.213 528 M HA 0.408 4.989 4.480 0.168 0.000 0.286 528 M C -1.311 174.915 176.300 -0.124 0.000 1.008 528 M CA -0.812 54.462 55.300 -0.043 0.000 0.937 528 M CB 2.152 34.682 32.600 -0.116 0.000 1.600 528 M HN 0.601 nan 8.290 nan 0.000 0.450 529 I N 5.345 125.838 120.570 -0.127 0.000 2.308 529 I HA 0.285 4.556 4.170 0.168 0.000 0.293 529 I C -0.312 175.655 176.117 -0.250 0.000 1.078 529 I CA -0.122 61.084 61.300 -0.158 0.000 1.292 529 I CB -0.178 37.750 38.000 -0.119 0.000 1.423 529 I HN 0.645 nan 8.210 nan 0.000 0.493 530 L N 8.431 129.451 121.223 -0.338 0.000 2.312 530 L HA 0.406 4.846 4.340 0.168 0.000 0.281 530 L C -2.082 174.595 176.870 -0.322 0.000 1.070 530 L CA -1.746 52.794 54.840 -0.500 0.000 0.805 530 L CB 0.892 42.458 42.059 -0.823 0.000 1.174 530 L HN 0.245 nan 8.230 nan 0.000 0.434 531 P HA 0.066 nan 4.420 nan 0.000 0.270 531 P C -2.490 174.764 177.300 -0.077 0.000 1.227 531 P CA -0.786 62.243 63.100 -0.118 0.000 0.788 531 P CB -0.127 31.561 31.700 -0.020 0.000 0.926 532 P HA 0.053 nan 4.420 nan 0.000 0.269 532 P C -0.681 176.559 177.300 -0.099 0.000 1.209 532 P CA 0.348 63.328 63.100 -0.199 0.000 0.776 532 P CB -0.249 31.308 31.700 -0.239 0.000 0.876 533 H N -1.353 117.752 119.070 0.059 0.000 2.713 533 H HA -0.220 4.437 4.556 0.168 0.000 0.311 533 H C -0.119 175.272 175.328 0.105 0.000 1.175 533 H CA -0.204 55.883 56.048 0.066 0.000 1.143 533 H CB -2.482 27.311 29.762 0.052 0.000 1.434 533 H HN 0.301 nan 8.280 nan 0.000 0.418 534 F N 2.346 122.278 119.950 -0.030 0.000 2.593 534 F HA 0.038 4.666 4.527 0.170 0.000 0.393 534 F C 0.563 176.360 175.800 -0.005 0.000 1.037 534 F CA -0.180 57.750 58.000 -0.117 0.000 1.195 534 F CB 0.412 39.240 39.000 -0.287 0.000 1.034 534 F HN 0.316 nan 8.300 nan 0.000 0.552 535 D N 6.460 126.628 120.400 -0.387 0.000 2.454 535 D HA 0.094 4.834 4.640 0.168 0.000 0.225 535 D C 0.840 176.772 176.300 -0.614 0.000 1.081 535 D CA -0.433 53.359 54.000 -0.347 0.000 0.864 535 D CB 0.974 41.734 40.800 -0.066 0.000 1.040 535 D HN 0.710 nan 8.370 nan 0.000 0.517 536 K N 1.142 121.088 120.400 -0.756 0.000 2.442 536 K HA -0.152 4.269 4.320 0.168 0.000 0.200 536 K C 1.500 178.055 176.600 -0.074 0.000 1.045 536 K CA 1.033 57.037 56.287 -0.472 0.000 0.937 536 K CB 0.109 32.502 32.500 -0.180 0.000 0.757 536 K HN 0.097 nan 8.250 nan 0.000 0.474 537 S N 0.435 116.078 115.700 -0.096 0.000 2.348 537 S HA -0.009 4.562 4.470 0.168 0.000 0.219 537 S C 0.470 175.059 174.600 -0.018 0.000 1.033 537 S CA 0.219 58.399 58.200 -0.034 0.000 0.974 537 S CB -0.013 63.155 63.200 -0.053 0.000 0.868 537 S HN 0.319 nan 8.310 nan 0.000 0.459 538 K N 1.392 121.756 120.400 -0.061 0.000 2.336 538 K HA 0.131 4.552 4.320 0.168 0.000 0.262 538 K C -0.444 176.134 176.600 -0.036 0.000 0.992 538 K CA 0.439 56.640 56.287 -0.144 0.000 0.927 538 K CB 0.346 32.612 32.500 -0.389 0.000 0.956 538 K HN 0.178 nan 8.250 nan 0.000 0.495 539 K N 2.864 123.197 120.400 -0.112 0.000 2.347 539 K HA 0.188 4.608 4.320 0.168 0.000 0.262 539 K C -1.158 175.411 176.600 -0.053 0.000 1.052 539 K CA -0.413 55.887 56.287 0.022 0.000 0.946 539 K CB 0.626 33.116 32.500 -0.018 0.000 1.220 539 K HN 0.330 nan 8.250 nan 0.000 0.450 540 Y N 3.013 123.349 120.300 0.060 0.000 2.307 540 Y HA 0.220 4.871 4.550 0.168 0.000 0.324 540 Y C -1.807 174.025 175.900 -0.114 0.000 1.238 540 Y CA -2.514 55.582 58.100 -0.006 0.000 1.280 540 Y CB 0.154 38.658 38.460 0.074 0.000 1.248 540 Y HN 0.465 nan 8.280 nan 0.000 0.508 541 P HA 0.215 nan 4.420 nan 0.000 0.277 541 P C -1.167 175.958 177.300 -0.292 0.000 1.240 541 P CA -0.299 62.488 63.100 -0.522 0.000 0.798 541 P CB 1.615 32.568 31.700 -1.246 0.000 0.979 542 L N 2.980 124.099 121.223 -0.174 0.000 2.356 542 L HA 0.493 4.934 4.340 0.168 0.000 0.277 542 L C -1.000 176.067 176.870 0.329 0.000 0.996 542 L CA -1.014 53.874 54.840 0.079 0.000 0.822 542 L CB 1.371 43.477 42.059 0.078 0.000 1.256 542 L HN 0.267 nan 8.230 nan 0.000 0.413 543 L N 5.734 127.157 121.223 0.333 0.000 2.287 543 L HA 0.420 4.861 4.340 0.168 0.000 0.287 543 L C -1.109 175.980 176.870 0.364 0.000 1.022 543 L CA -0.867 54.222 54.840 0.415 0.000 0.814 543 L CB 1.690 43.941 42.059 0.320 0.000 1.217 543 L HN 0.613 nan 8.230 nan 0.000 0.420 544 L N 5.433 126.915 121.223 0.433 0.000 2.259 544 L HA 0.326 4.766 4.340 0.168 0.000 0.288 544 L C -0.239 176.852 176.870 0.368 0.000 1.051 544 L CA 0.013 55.089 54.840 0.393 0.000 0.824 544 L CB 0.787 43.116 42.059 0.449 0.000 1.206 544 L HN 0.472 nan 8.230 nan 0.000 0.429 545 D N 4.335 124.936 120.400 0.336 0.000 2.325 545 D HA 0.219 4.959 4.640 0.168 0.000 0.251 545 D C -0.971 175.409 176.300 0.133 0.000 1.196 545 D CA 0.214 54.341 54.000 0.212 0.000 0.866 545 D CB 1.274 42.273 40.800 0.331 0.000 1.101 545 D HN 0.360 nan 8.370 nan 0.000 0.476 546 V N 5.374 125.294 119.914 0.010 0.000 2.914 546 V HA 0.432 4.653 4.120 0.168 0.000 0.314 546 V C -1.007 175.171 176.094 0.140 0.000 1.084 546 V CA -0.464 61.906 62.300 0.117 0.000 0.963 546 V CB 1.959 33.857 31.823 0.124 0.000 1.025 546 V HN 0.650 nan 8.190 nan 0.000 0.432 547 Y N 4.529 124.892 120.300 0.106 0.000 3.116 547 Y HA 0.543 5.185 4.550 0.154 0.000 0.220 547 Y C 1.522 177.537 175.900 0.192 0.000 0.965 547 Y CA 1.323 59.510 58.100 0.146 0.000 1.476 547 Y CB 0.090 38.619 38.460 0.116 0.000 1.493 547 Y HN 1.140 nan 8.280 nan 0.000 0.423 548 A N 1.072 123.997 122.820 0.174 0.000 2.790 548 A HA -0.168 4.252 4.320 0.168 0.000 0.277 548 A C 0.942 178.340 177.584 -0.310 0.000 1.435 548 A CA 1.066 53.132 52.037 0.048 0.000 0.877 548 A CB -2.367 16.716 19.000 0.137 0.000 1.007 548 A HN 0.941 nan 8.150 nan 0.000 0.613 549 G N -0.485 107.897 108.800 -0.697 0.000 2.572 549 G HA2 0.516 4.577 3.960 0.168 0.000 0.261 549 G HA3 0.516 4.577 3.960 0.168 0.000 0.261 549 G C -1.856 172.731 174.900 -0.522 0.000 1.197 549 G CA -0.782 43.497 45.100 -1.368 0.000 0.870 549 G HN 0.392 nan 8.290 nan 0.000 0.548 550 P HA -0.009 nan 4.420 nan 0.000 0.261 550 P C 0.646 177.801 177.300 -0.241 0.000 1.183 550 P CA 0.324 63.163 63.100 -0.434 0.000 0.761 550 P CB 0.723 31.815 31.700 -1.013 0.000 0.785 551 C N 2.312 121.547 119.300 -0.110 0.000 4.475 551 C HA -0.143 4.418 4.460 0.168 0.000 0.280 551 C C 1.011 175.989 174.990 -0.019 0.000 1.338 551 C CA 1.123 60.040 59.018 -0.168 0.000 1.893 551 C CB -2.592 24.914 27.740 -0.390 0.000 1.299 551 C HN 0.832 nan 8.230 nan 0.000 0.767 552 S N 0.061 115.828 115.700 0.113 0.000 2.652 552 S HA 0.616 5.187 4.470 0.168 0.000 0.270 552 S C -0.653 174.104 174.600 0.261 0.000 1.243 552 S CA 0.072 58.427 58.200 0.258 0.000 0.999 552 S CB 1.702 65.138 63.200 0.394 0.000 0.973 552 S HN 0.811 nan 8.310 nan 0.000 0.544 553 Q N 0.109 120.092 119.800 0.307 0.000 2.309 553 Q HA 0.361 4.801 4.340 0.168 0.000 0.254 553 Q C -0.695 175.437 176.000 0.221 0.000 0.938 553 Q CA -0.595 55.386 55.803 0.295 0.000 0.789 553 Q CB 1.008 29.983 28.738 0.395 0.000 1.313 553 Q HN 0.698 nan 8.270 nan 0.000 0.438 554 K N 1.012 121.539 120.400 0.212 0.000 2.355 554 K HA 0.334 4.754 4.320 0.168 0.000 0.198 554 K C -0.402 176.316 176.600 0.196 0.000 1.039 554 K CA 0.245 56.648 56.287 0.193 0.000 1.075 554 K CB 1.536 34.172 32.500 0.227 0.000 0.870 554 K HN 0.476 nan 8.250 nan 0.000 0.540 555 A N 2.745 125.693 122.820 0.214 0.000 2.316 555 A HA 0.442 4.863 4.320 0.168 0.000 0.324 555 A C -0.844 176.837 177.584 0.163 0.000 1.375 555 A CA -0.561 51.611 52.037 0.225 0.000 0.882 555 A CB 0.166 19.362 19.000 0.327 0.000 1.152 555 A HN 0.223 nan 8.150 nan 0.000 0.512 556 D N -0.073 120.399 120.400 0.119 0.000 2.812 556 D HA 0.452 5.193 4.640 0.168 0.000 0.318 556 D C 0.372 176.713 176.300 0.068 0.000 1.234 556 D CA 0.273 54.334 54.000 0.102 0.000 0.989 556 D CB 0.332 41.203 40.800 0.119 0.000 1.442 556 D HN 0.161 nan 8.370 nan 0.000 0.537 557 T N -2.269 112.343 114.554 0.097 0.000 3.223 557 T HA 0.357 4.807 4.350 0.168 0.000 0.259 557 T C 0.279 174.958 174.700 -0.036 0.000 1.015 557 T CA -0.423 61.719 62.100 0.070 0.000 0.908 557 T CB -0.746 68.208 68.868 0.143 0.000 1.054 557 T HN 0.257 nan 8.240 nan 0.000 0.567 558 V N 2.512 122.302 119.914 -0.207 0.000 2.649 558 V HA 0.371 4.592 4.120 0.168 0.000 0.292 558 V C 0.114 176.161 176.094 -0.079 0.000 1.055 558 V CA -1.050 61.083 62.300 -0.279 0.000 1.023 558 V CB 0.311 31.844 31.823 -0.483 0.000 0.992 558 V HN 0.566 nan 8.190 nan 0.000 0.480 559 F N 6.218 126.071 119.950 -0.161 0.000 2.438 559 F HA 0.549 5.179 4.527 0.172 0.000 0.356 559 F C 0.442 176.186 175.800 -0.094 0.000 1.099 559 F CA -0.248 57.684 58.000 -0.113 0.000 1.185 559 F CB 0.233 39.173 39.000 -0.100 0.000 1.115 559 F HN 0.417 nan 8.300 nan 0.000 0.526 560 R N 5.945 125.950 120.500 -0.826 0.000 2.621 560 R HA 0.514 4.955 4.340 0.168 0.000 0.284 560 R C -1.984 173.860 176.300 -0.761 0.000 0.998 560 R CA -1.205 54.513 56.100 -0.636 0.000 0.895 560 R CB 1.990 32.117 30.300 -0.289 0.000 1.195 560 R HN 0.468 nan 8.270 nan 0.000 0.450 561 L N 4.415 125.329 121.223 -0.514 0.000 2.337 561 L HA 0.362 4.803 4.340 0.168 0.000 0.269 561 L C -0.692 176.125 176.870 -0.089 0.000 1.018 561 L CA -0.388 54.233 54.840 -0.365 0.000 0.876 561 L CB 0.491 42.453 42.059 -0.162 0.000 1.236 561 L HN 0.740 nan 8.230 nan 0.000 0.436 562 N N 0.509 119.102 118.700 -0.179 0.000 3.506 562 N HA 0.170 5.011 4.740 0.168 0.000 0.331 562 N C 0.427 175.588 175.510 -0.581 0.000 1.631 562 N CA -0.786 52.057 53.050 -0.345 0.000 0.786 562 N CB -0.127 38.282 38.487 -0.130 0.000 2.023 562 N HN 0.216 nan 8.380 nan 0.000 0.621 563 W N 0.605 121.327 121.300 -0.962 0.000 2.363 563 W HA 0.185 4.953 4.660 0.180 0.000 0.296 563 W C 2.016 178.501 176.519 -0.057 0.000 1.212 563 W CA 2.717 59.745 57.345 -0.529 0.000 1.260 563 W CB -0.979 28.322 29.460 -0.266 0.000 1.131 563 W HN 0.692 nan 8.180 nan 0.000 0.530 564 A N -0.616 122.190 122.820 -0.022 0.000 1.972 564 A HA -0.185 4.236 4.320 0.168 0.000 0.219 564 A C 1.940 179.433 177.584 -0.151 0.000 1.169 564 A CA 2.351 54.315 52.037 -0.122 0.000 0.635 564 A CB -1.226 17.782 19.000 0.013 0.000 0.810 564 A HN 0.282 nan 8.150 nan 0.000 0.446 565 T N -1.207 113.276 114.554 -0.120 0.000 2.746 565 T HA -0.193 4.258 4.350 0.168 0.000 0.267 565 T C 1.807 176.547 174.700 0.065 0.000 1.039 565 T CA 1.718 63.731 62.100 -0.145 0.000 1.142 565 T CB -0.467 68.148 68.868 -0.421 0.000 0.866 565 T HN 0.699 nan 8.240 nan 0.000 0.444 566 Y N 2.056 122.449 120.300 0.155 0.000 2.200 566 Y HA -0.006 4.644 4.550 0.167 0.000 0.290 566 Y C 1.908 177.803 175.900 -0.009 0.000 1.137 566 Y CA 0.871 59.086 58.100 0.190 0.000 1.163 566 Y CB -0.727 37.824 38.460 0.151 0.000 0.988 566 Y HN 0.119 nan 8.280 nan 0.000 0.518 567 L N 0.282 121.061 121.223 -0.739 0.000 2.012 567 L HA -0.213 4.228 4.340 0.168 0.000 0.210 567 L C 2.845 179.456 176.870 -0.433 0.000 1.073 567 L CA 1.427 55.783 54.840 -0.806 0.000 0.748 567 L CB -1.038 40.628 42.059 -0.654 0.000 0.891 567 L HN 0.399 nan 8.230 nan 0.000 0.431 568 A N -1.167 121.488 122.820 -0.275 0.000 1.874 568 A HA -0.173 4.248 4.320 0.168 0.000 0.214 568 A C 2.517 180.035 177.584 -0.110 0.000 1.189 568 A CA 1.701 53.637 52.037 -0.168 0.000 0.615 568 A CB -0.610 18.292 19.000 -0.164 0.000 0.830 568 A HN 0.338 nan 8.150 nan 0.000 0.443 569 S N -1.335 114.315 115.700 -0.083 0.000 2.406 569 S HA -0.091 4.480 4.470 0.168 0.000 0.228 569 S C 1.828 176.443 174.600 0.024 0.000 1.020 569 S CA 2.179 60.379 58.200 0.001 0.000 0.965 569 S CB -0.263 62.990 63.200 0.088 0.000 0.798 569 S HN 0.571 nan 8.310 nan 0.000 0.488 570 T N 0.774 115.303 114.554 -0.041 0.000 3.056 570 T HA 0.216 4.667 4.350 0.168 0.000 0.241 570 T C 1.213 175.875 174.700 -0.062 0.000 1.006 570 T CA 0.239 62.335 62.100 -0.008 0.000 1.115 570 T CB -0.023 68.895 68.868 0.084 0.000 0.939 570 T HN 0.260 nan 8.240 nan 0.000 0.462 571 E N 1.468 121.543 120.200 -0.208 0.000 2.479 571 E HA 0.176 4.627 4.350 0.168 0.000 0.193 571 E C -0.189 176.384 176.600 -0.044 0.000 1.049 571 E CA -0.099 56.223 56.400 -0.130 0.000 0.870 571 E CB -0.382 29.182 29.700 -0.227 0.000 0.944 571 E HN 0.437 nan 8.360 nan 0.000 0.492 572 N N 0.761 119.448 118.700 -0.021 0.000 2.705 572 N HA -0.194 4.647 4.740 0.168 0.000 0.255 572 N C -1.029 174.550 175.510 0.114 0.000 1.008 572 N CA 0.437 53.540 53.050 0.089 0.000 0.742 572 N CB -1.155 37.432 38.487 0.166 0.000 0.906 572 N HN 0.242 nan 8.380 nan 0.000 0.541 573 I N 0.491 121.059 120.570 -0.003 0.000 2.474 573 I HA 0.398 4.669 4.170 0.168 0.000 0.294 573 I C 0.489 176.573 176.117 -0.055 0.000 1.005 573 I CA -0.932 60.367 61.300 -0.002 0.000 1.113 573 I CB 1.558 39.563 38.000 0.008 0.000 1.289 573 I HN 0.020 nan 8.210 nan 0.000 0.436 574 I N 6.010 126.553 120.570 -0.044 0.000 2.371 574 I HA 0.202 4.473 4.170 0.168 0.000 0.290 574 I C -0.463 175.628 176.117 -0.045 0.000 1.028 574 I CA -0.503 60.730 61.300 -0.112 0.000 1.345 574 I CB 1.211 39.141 38.000 -0.117 0.000 1.407 574 I HN 0.186 nan 8.210 nan 0.000 0.501 575 V N 6.726 126.603 119.914 -0.062 0.000 2.334 575 V HA 0.592 4.813 4.120 0.168 0.000 0.281 575 V C 0.352 176.463 176.094 0.028 0.000 1.016 575 V CA -0.431 61.882 62.300 0.023 0.000 0.832 575 V CB 1.095 32.928 31.823 0.017 0.000 0.999 575 V HN 0.844 nan 8.190 nan 0.000 0.439 576 A N 4.018 126.876 122.820 0.062 0.000 2.330 576 A HA 0.965 5.386 4.320 0.168 0.000 0.329 576 A C -0.131 177.588 177.584 0.226 0.000 1.135 576 A CA -0.535 51.534 52.037 0.054 0.000 0.817 576 A CB 1.654 20.515 19.000 -0.233 0.000 1.269 576 A HN 0.691 nan 8.150 nan 0.000 0.469 577 S N -0.365 115.523 115.700 0.314 0.000 2.540 577 S HA 0.697 5.268 4.470 0.168 0.000 0.275 577 S C -1.445 173.505 174.600 0.583 0.000 1.123 577 S CA -0.311 58.125 58.200 0.392 0.000 0.907 577 S CB 1.270 64.648 63.200 0.296 0.000 1.081 577 S HN 0.785 nan 8.310 nan 0.000 0.476 578 F N 1.814 122.001 119.950 0.394 0.000 2.576 578 F HA 0.577 5.205 4.527 0.167 0.000 0.313 578 F C -1.574 174.431 175.800 0.341 0.000 1.078 578 F CA -0.793 57.466 58.000 0.432 0.000 0.921 578 F CB 1.620 40.855 39.000 0.392 0.000 1.232 578 F HN 0.408 nan 8.300 nan 0.000 0.459 579 D N 3.813 123.915 120.400 -0.497 0.000 2.453 579 D HA 0.425 5.166 4.640 0.168 0.000 0.238 579 D C 0.136 176.050 176.300 -0.643 0.000 1.088 579 D CA -0.038 53.774 54.000 -0.313 0.000 0.854 579 D CB 1.650 42.469 40.800 0.033 0.000 1.076 579 D HN 0.791 nan 8.370 nan 0.000 0.533 580 G N 1.264 109.787 108.800 -0.462 0.000 2.940 580 G HA2 0.340 4.401 3.960 0.168 0.000 0.164 580 G HA3 0.340 4.401 3.960 0.168 0.000 0.164 580 G C 0.051 174.909 174.900 -0.071 0.000 1.326 580 G CA -0.599 44.236 45.100 -0.442 0.000 1.020 580 G HN 0.212 nan 8.290 nan 0.000 0.586 581 R N -0.696 119.753 120.500 -0.085 0.000 2.638 581 R HA 0.389 4.829 4.340 0.168 0.000 0.268 581 R C 1.343 177.727 176.300 0.140 0.000 1.006 581 R CA 1.859 58.030 56.100 0.118 0.000 1.088 581 R CB 0.360 30.736 30.300 0.126 0.000 0.950 581 R HN 1.325 nan 8.270 nan 0.000 0.419 582 G N 0.889 109.779 108.800 0.151 0.000 2.268 582 G HA2 -0.317 3.743 3.960 0.168 0.000 0.240 582 G HA3 -0.317 3.743 3.960 0.168 0.000 0.240 582 G C 0.366 175.307 174.900 0.068 0.000 1.010 582 G CA 0.243 45.411 45.100 0.114 0.000 0.618 582 G HN 0.749 nan 8.290 nan 0.000 0.516 583 S N 0.834 116.584 115.700 0.084 0.000 2.566 583 S HA 0.503 5.074 4.470 0.168 0.000 0.280 583 S C 1.096 175.705 174.600 0.016 0.000 1.343 583 S CA 1.000 59.245 58.200 0.075 0.000 1.036 583 S CB 0.438 63.714 63.200 0.127 0.000 0.866 583 S HN 1.556 nan 8.310 nan 0.000 0.526 584 G N 0.924 109.696 108.800 -0.046 0.000 2.601 584 G HA2 0.519 4.579 3.960 0.168 0.000 0.317 584 G HA3 0.519 4.579 3.960 0.168 0.000 0.317 584 G C -1.043 173.745 174.900 -0.186 0.000 1.246 584 G CA -0.604 44.325 45.100 -0.284 0.000 1.012 584 G HN 0.905 nan 8.290 nan 0.000 0.494 585 Y N -2.312 118.004 120.300 0.027 0.000 4.604 585 Y HA -0.218 4.430 4.550 0.164 0.000 0.230 585 Y C 1.430 177.347 175.900 0.028 0.000 1.066 585 Y CA 1.102 59.219 58.100 0.029 0.000 1.990 585 Y CB -2.122 36.369 38.460 0.052 0.000 1.619 585 Y HN 0.547 nan 8.280 nan 0.000 0.649 586 Q N -0.183 119.654 119.800 0.062 0.000 2.093 586 Q HA 0.500 4.941 4.340 0.168 0.000 0.217 586 Q C 0.924 176.857 176.000 -0.111 0.000 0.785 586 Q CA 0.238 56.082 55.803 0.068 0.000 1.038 586 Q CB 1.692 30.460 28.738 0.050 0.000 1.190 586 Q HN 0.582 nan 8.270 nan 0.000 0.468 587 G N 0.722 109.325 108.800 -0.327 0.000 2.629 587 G HA2 -0.169 3.892 3.960 0.168 0.000 0.686 587 G HA3 -0.169 3.892 3.960 0.168 0.000 0.686 587 G C -0.551 173.999 174.900 -0.584 0.000 1.232 587 G CA -0.592 44.030 45.100 -0.795 0.000 0.803 587 G HN 0.088 nan 8.290 nan 0.000 0.638 588 D N -0.035 119.962 120.400 -0.672 0.000 2.264 588 D HA -0.049 4.692 4.640 0.168 0.000 0.208 588 D C 2.181 178.200 176.300 -0.467 0.000 0.966 588 D CA 1.218 54.773 54.000 -0.742 0.000 0.864 588 D CB 0.060 40.298 40.800 -0.937 0.000 0.933 588 D HN 0.590 nan 8.370 nan 0.000 0.499 589 K N 0.405 120.587 120.400 -0.362 0.000 2.147 589 K HA -0.091 4.330 4.320 0.168 0.000 0.205 589 K C 1.916 178.454 176.600 -0.102 0.000 1.049 589 K CA 0.804 56.974 56.287 -0.194 0.000 0.936 589 K CB 0.049 32.448 32.500 -0.168 0.000 0.722 589 K HN 0.134 nan 8.250 nan 0.000 0.446 590 I N 0.041 120.540 120.570 -0.117 0.000 2.429 590 I HA -0.165 4.105 4.170 0.168 0.000 0.247 590 I C 2.530 178.667 176.117 0.034 0.000 1.099 590 I CA 0.500 61.811 61.300 0.017 0.000 1.422 590 I CB -0.061 37.960 38.000 0.035 0.000 1.112 590 I HN 0.244 nan 8.210 nan 0.000 0.430 591 M N 0.207 119.765 119.600 -0.070 0.000 2.132 591 M HA -0.212 4.369 4.480 0.168 0.000 0.263 591 M C 1.847 178.240 176.300 0.154 0.000 1.065 591 M CA 1.974 57.273 55.300 -0.000 0.000 1.122 591 M CB -0.283 32.237 32.600 -0.133 0.000 1.365 591 M HN 0.258 nan 8.290 nan 0.000 0.411 592 H N -0.630 118.349 119.070 -0.151 0.000 2.543 592 H HA 0.170 4.826 4.556 0.167 0.000 0.269 592 H C 1.781 177.133 175.328 0.041 0.000 1.005 592 H CA 0.091 56.053 56.048 -0.143 0.000 1.146 592 H CB 0.171 29.745 29.762 -0.312 0.000 1.353 592 H HN 0.528 nan 8.280 nan 0.000 0.595 593 A N 1.525 124.464 122.820 0.198 0.000 2.076 593 A HA -0.119 4.302 4.320 0.168 0.000 0.220 593 A C 1.902 179.700 177.584 0.356 0.000 1.160 593 A CA 0.976 53.155 52.037 0.237 0.000 0.653 593 A CB -0.622 18.494 19.000 0.193 0.000 0.801 593 A HN 0.567 nan 8.150 nan 0.000 0.455 594 I N -3.559 117.178 120.570 0.278 0.000 3.877 594 I HA 0.227 4.497 4.170 0.168 0.000 0.332 594 I C 0.165 176.351 176.117 0.115 0.000 1.525 594 I CA -0.583 60.818 61.300 0.168 0.000 1.146 594 I CB -0.455 37.620 38.000 0.124 0.000 1.137 594 I HN 0.157 nan 8.210 nan 0.000 0.424 595 N N 2.819 121.623 118.700 0.174 0.000 2.454 595 N HA 0.014 4.855 4.740 0.168 0.000 0.260 595 N C 0.225 175.742 175.510 0.012 0.000 1.218 595 N CA 0.125 53.271 53.050 0.161 0.000 0.904 595 N CB 0.398 38.945 38.487 0.101 0.000 1.065 595 N HN 0.400 nan 8.380 nan 0.000 0.462 596 R N 0.693 121.181 120.500 -0.021 0.000 4.000 596 R HA -0.161 4.280 4.340 0.168 0.000 0.348 596 R C -0.335 175.818 176.300 -0.244 0.000 1.204 596 R CA 0.832 56.876 56.100 -0.094 0.000 0.987 596 R CB -0.773 29.488 30.300 -0.064 0.000 1.446 596 R HN 0.651 nan 8.270 nan 0.000 0.555 597 R N 0.434 120.775 120.500 -0.264 0.000 2.648 597 R HA 0.260 4.701 4.340 0.168 0.000 0.341 597 R C -0.288 175.958 176.300 -0.090 0.000 1.154 597 R CA -0.278 55.515 56.100 -0.511 0.000 1.228 597 R CB 0.411 30.387 30.300 -0.541 0.000 1.311 597 R HN 0.092 nan 8.270 nan 0.000 0.659 598 L N -0.098 121.145 121.223 0.034 0.000 2.461 598 L HA 0.175 4.616 4.340 0.168 0.000 0.272 598 L C 1.345 178.423 176.870 0.346 0.000 1.197 598 L CA 0.949 55.831 54.840 0.069 0.000 0.836 598 L CB 0.480 42.341 42.059 -0.331 0.000 1.105 598 L HN 0.699 nan 8.230 nan 0.000 0.477 599 G N 0.870 109.923 108.800 0.422 0.000 2.137 599 G HA2 -0.278 3.783 3.960 0.168 0.000 0.237 599 G HA3 -0.278 3.783 3.960 0.168 0.000 0.237 599 G C 0.418 175.401 174.900 0.139 0.000 1.002 599 G CA 0.527 45.840 45.100 0.356 0.000 0.702 599 G HN 0.837 nan 8.290 nan 0.000 0.515 600 T N -3.680 110.911 114.554 0.063 0.000 3.409 600 T HA 0.450 4.901 4.350 0.168 0.000 0.188 600 T C 1.656 176.351 174.700 -0.010 0.000 0.929 600 T CA 0.940 62.988 62.100 -0.088 0.000 1.184 600 T CB -0.027 68.603 68.868 -0.396 0.000 1.570 600 T HN 0.147 nan 8.240 nan 0.000 0.367 601 F N 3.487 123.478 119.950 0.069 0.000 2.171 601 F HA 0.122 4.749 4.527 0.167 0.000 0.300 601 F C 2.758 178.589 175.800 0.052 0.000 1.090 601 F CA 1.005 59.032 58.000 0.046 0.000 1.293 601 F CB -0.701 38.322 39.000 0.037 0.000 1.013 601 F HN 0.503 nan 8.300 nan 0.000 0.486 602 E N 0.796 121.144 120.200 0.248 0.000 2.204 602 E HA -0.130 4.321 4.350 0.168 0.000 0.194 602 E C 2.234 178.936 176.600 0.171 0.000 0.989 602 E CA 1.364 57.881 56.400 0.194 0.000 0.824 602 E CB -1.054 28.759 29.700 0.188 0.000 0.756 602 E HN 0.356 nan 8.360 nan 0.000 0.477 603 V N 0.622 120.616 119.914 0.134 0.000 2.500 603 V HA -0.106 4.115 4.120 0.168 0.000 0.243 603 V C 2.025 178.166 176.094 0.078 0.000 1.039 603 V CA 1.559 63.898 62.300 0.066 0.000 1.053 603 V CB -0.087 31.718 31.823 -0.030 0.000 0.695 603 V HN 0.112 nan 8.190 nan 0.000 0.463 604 E N 0.179 120.442 120.200 0.106 0.000 2.049 604 E HA -0.259 4.192 4.350 0.168 0.000 0.198 604 E C 1.947 178.595 176.600 0.079 0.000 1.007 604 E CA 1.905 58.366 56.400 0.103 0.000 0.809 604 E CB -0.237 29.562 29.700 0.165 0.000 0.749 604 E HN 0.649 nan 8.360 nan 0.000 0.450 605 D N 0.246 120.706 120.400 0.100 0.000 2.182 605 D HA -0.164 4.577 4.640 0.168 0.000 0.201 605 D C 1.958 178.312 176.300 0.091 0.000 0.986 605 D CA 0.895 54.943 54.000 0.078 0.000 0.847 605 D CB -0.198 40.672 40.800 0.118 0.000 0.942 605 D HN 0.047 nan 8.370 nan 0.000 0.467 606 Q N 0.354 120.256 119.800 0.169 0.000 2.124 606 Q HA -0.029 4.412 4.340 0.168 0.000 0.202 606 Q C 2.178 178.248 176.000 0.116 0.000 0.977 606 Q CA 0.851 56.769 55.803 0.190 0.000 0.850 606 Q CB -0.220 28.621 28.738 0.172 0.000 0.901 606 Q HN 0.363 nan 8.270 nan 0.000 0.429 607 I N -0.092 120.546 120.570 0.114 0.000 2.233 607 I HA -0.185 4.085 4.170 0.168 0.000 0.243 607 I C 2.173 178.275 176.117 -0.026 0.000 1.093 607 I CA 0.874 62.280 61.300 0.177 0.000 1.380 607 I CB -0.279 37.812 38.000 0.153 0.000 1.067 607 I HN 0.176 nan 8.210 nan 0.000 0.413 608 E N 1.171 121.305 120.200 -0.110 0.000 2.160 608 E HA -0.216 4.235 4.350 0.168 0.000 0.195 608 E C 2.242 178.579 176.600 -0.439 0.000 0.991 608 E CA 1.449 57.718 56.400 -0.219 0.000 0.810 608 E CB -0.097 29.492 29.700 -0.185 0.000 0.742 608 E HN 0.480 nan 8.360 nan 0.000 0.466 609 A N 1.084 123.511 122.820 -0.656 0.000 1.858 609 A HA -0.102 4.319 4.320 0.168 0.000 0.216 609 A C 2.390 179.241 177.584 -1.221 0.000 1.190 609 A CA 2.197 53.493 52.037 -1.234 0.000 0.617 609 A CB -0.646 17.414 19.000 -1.567 0.000 0.827 609 A HN 0.281 nan 8.150 nan 0.000 0.443 610 A N -0.849 121.675 122.820 -0.492 0.000 2.067 610 A HA -0.073 4.348 4.320 0.168 0.000 0.219 610 A C 2.180 179.617 177.584 -0.244 0.000 1.158 610 A CA 1.463 53.420 52.037 -0.133 0.000 0.661 610 A CB -0.441 18.592 19.000 0.054 0.000 0.801 610 A HN 0.553 nan 8.150 nan 0.000 0.452 611 R N -0.464 119.852 120.500 -0.307 0.000 2.092 611 R HA -0.106 4.335 4.340 0.168 0.000 0.231 611 R C 2.155 178.304 176.300 -0.251 0.000 1.119 611 R CA 1.508 57.460 56.100 -0.248 0.000 0.970 611 R CB -0.175 30.002 30.300 -0.206 0.000 0.864 611 R HN 0.634 nan 8.270 nan 0.000 0.440 612 Q N -0.722 118.857 119.800 -0.368 0.000 2.137 612 Q HA -0.101 4.339 4.340 0.168 0.000 0.198 612 Q C 1.889 177.745 176.000 -0.240 0.000 0.960 612 Q CA 0.930 56.537 55.803 -0.328 0.000 0.847 612 Q CB -0.000 28.483 28.738 -0.424 0.000 0.915 612 Q HN 0.293 nan 8.270 nan 0.000 0.448 613 F N 1.662 121.450 119.950 -0.269 0.000 2.134 613 F HA -0.197 4.430 4.527 0.166 0.000 0.299 613 F C 2.806 178.446 175.800 -0.267 0.000 1.097 613 F CA 1.419 59.252 58.000 -0.277 0.000 1.264 613 F CB -1.217 37.650 39.000 -0.221 0.000 1.001 613 F HN 0.077 nan 8.300 nan 0.000 0.479 614 S N -0.537 115.145 115.700 -0.030 0.000 2.399 614 S HA -0.153 4.417 4.470 0.168 0.000 0.231 614 S C 1.674 176.190 174.600 -0.140 0.000 1.022 614 S CA 0.913 59.056 58.200 -0.095 0.000 0.983 614 S CB -0.372 62.761 63.200 -0.112 0.000 0.803 614 S HN 0.156 nan 8.310 nan 0.000 0.480 615 K N 0.747 121.060 120.400 -0.144 0.000 2.476 615 K HA 0.350 4.770 4.320 0.168 0.000 0.196 615 K C 1.227 177.720 176.600 -0.178 0.000 1.025 615 K CA 0.083 56.285 56.287 -0.142 0.000 1.138 615 K CB -0.416 32.013 32.500 -0.118 0.000 0.860 615 K HN 0.519 nan 8.250 nan 0.000 0.515 616 M N -1.023 118.412 119.600 -0.274 0.000 2.562 616 M HA -0.032 4.548 4.480 0.168 0.000 0.257 616 M C 1.126 177.151 176.300 -0.457 0.000 1.099 616 M CA 1.032 56.098 55.300 -0.391 0.000 1.099 616 M CB 0.161 32.403 32.600 -0.597 0.000 1.427 616 M HN 0.423 nan 8.290 nan 0.000 0.489 617 G N 0.612 109.191 108.800 -0.368 0.000 2.284 617 G HA2 -0.280 3.781 3.960 0.168 0.000 0.216 617 G HA3 -0.280 3.781 3.960 0.168 0.000 0.216 617 G C 0.394 175.236 174.900 -0.095 0.000 1.009 617 G CA 0.175 45.159 45.100 -0.192 0.000 0.625 617 G HN 0.536 nan 8.290 nan 0.000 0.501 618 F N 0.863 120.869 119.950 0.093 0.000 2.772 618 F HA 0.797 5.424 4.527 0.167 0.000 0.302 618 F C -0.134 175.784 175.800 0.196 0.000 1.136 618 F CA -1.593 56.498 58.000 0.153 0.000 1.322 618 F CB 0.206 39.341 39.000 0.226 0.000 0.967 618 F HN 0.099 nan 8.300 nan 0.000 0.513 619 V N 1.218 121.168 119.914 0.061 0.000 2.444 619 V HA 0.225 4.446 4.120 0.168 0.000 0.294 619 V C -0.731 175.366 176.094 0.005 0.000 1.022 619 V CA -0.775 61.572 62.300 0.078 0.000 0.850 619 V CB 1.676 33.486 31.823 -0.023 0.000 0.992 619 V HN 0.107 nan 8.190 nan 0.000 0.426 620 D N 4.180 124.579 120.400 -0.002 0.000 2.383 620 D HA 0.012 4.752 4.640 0.168 0.000 0.245 620 D C 1.262 177.526 176.300 -0.060 0.000 1.263 620 D CA -0.166 53.804 54.000 -0.050 0.000 0.936 620 D CB 0.560 41.307 40.800 -0.088 0.000 1.053 620 D HN 0.666 nan 8.370 nan 0.000 0.507 621 N N 3.195 121.858 118.700 -0.060 0.000 2.635 621 N HA -0.167 4.674 4.740 0.168 0.000 0.191 621 N C 0.697 176.172 175.510 -0.057 0.000 1.155 621 N CA 0.787 53.794 53.050 -0.072 0.000 0.927 621 N CB -0.039 38.398 38.487 -0.084 0.000 0.976 621 N HN 0.367 nan 8.380 nan 0.000 0.448 622 K N -0.435 119.942 120.400 -0.039 0.000 2.353 622 K HA 0.213 4.634 4.320 0.168 0.000 0.195 622 K C 0.094 176.712 176.600 0.029 0.000 1.031 622 K CA -0.005 56.276 56.287 -0.010 0.000 1.079 622 K CB 0.631 33.124 32.500 -0.012 0.000 0.857 622 K HN 0.133 nan 8.250 nan 0.000 0.535 623 R N 1.301 121.801 120.500 0.001 0.000 2.748 623 R HA 0.366 4.807 4.340 0.168 0.000 0.283 623 R C -0.974 175.379 176.300 0.089 0.000 1.507 623 R CA -0.124 56.003 56.100 0.045 0.000 1.666 623 R CB 0.583 30.745 30.300 -0.231 0.000 1.237 623 R HN -0.024 nan 8.270 nan 0.000 0.633 624 I N 1.191 121.909 120.570 0.246 0.000 2.389 624 I HA 0.510 4.780 4.170 0.168 0.000 0.288 624 I C 0.005 176.436 176.117 0.525 0.000 0.999 624 I CA -0.661 60.817 61.300 0.295 0.000 1.129 624 I CB 1.887 39.890 38.000 0.005 0.000 1.288 624 I HN 0.308 nan 8.210 nan 0.000 0.444 625 A N 7.190 130.407 122.820 0.661 0.000 2.344 625 A HA 0.935 5.356 4.320 0.168 0.000 0.307 625 A C -1.025 176.889 177.584 0.549 0.000 1.151 625 A CA -0.682 51.679 52.037 0.540 0.000 0.842 625 A CB 2.080 21.221 19.000 0.236 0.000 1.350 625 A HN 0.720 nan 8.150 nan 0.000 0.459 626 I N 0.247 121.048 120.570 0.384 0.000 2.722 626 I HA 0.603 4.874 4.170 0.168 0.000 0.292 626 I C -2.045 174.304 176.117 0.387 0.000 1.267 626 I CA -0.541 60.928 61.300 0.282 0.000 1.036 626 I CB 1.551 39.452 38.000 -0.165 0.000 1.281 626 I HN 0.951 nan 8.210 nan 0.000 0.423 627 W N 7.001 128.420 121.300 0.198 0.000 3.118 627 W HA 0.886 5.637 4.660 0.152 0.000 0.328 627 W C -1.387 175.278 176.519 0.242 0.000 1.239 627 W CA -1.164 56.310 57.345 0.216 0.000 1.176 627 W CB 1.118 30.756 29.460 0.296 0.000 1.433 627 W HN 0.816 nan 8.180 nan 0.000 0.562 628 G N 0.531 109.241 108.800 -0.151 0.000 2.601 628 G HA2 0.438 4.498 3.960 0.168 0.000 0.291 628 G HA3 0.438 4.498 3.960 0.168 0.000 0.291 628 G C -2.728 172.141 174.900 -0.053 0.000 1.456 628 G CA -0.768 44.123 45.100 -0.347 0.000 0.804 628 G HN 0.605 nan 8.290 nan 0.000 0.499 629 W N 1.199 122.406 121.300 -0.156 0.000 2.606 629 W HA 0.568 5.373 4.660 0.241 0.000 0.332 629 W C 0.992 177.571 176.519 0.100 0.000 1.052 629 W CA 0.494 57.833 57.345 -0.009 0.000 1.223 629 W CB 1.902 31.368 29.460 0.010 0.000 1.383 629 W HN 1.151 nan 8.180 nan 0.000 0.524 630 S N 2.851 118.785 115.700 0.390 0.000 4.155 630 S HA -0.443 4.128 4.470 0.168 0.000 0.542 630 S C 1.266 175.949 174.600 0.137 0.000 1.863 630 S CA 2.157 60.570 58.200 0.355 0.000 4.239 630 S CB -1.845 61.739 63.200 0.640 0.000 0.331 630 S HN 0.704 nan 8.310 nan 0.000 0.461 631 Y N 2.567 122.858 120.300 -0.015 0.000 2.224 631 Y HA 0.068 4.712 4.550 0.157 0.000 0.289 631 Y C 2.471 178.293 175.900 -0.131 0.000 1.146 631 Y CA 2.454 60.445 58.100 -0.181 0.000 1.182 631 Y CB -1.076 37.055 38.460 -0.548 0.000 0.983 631 Y HN 0.512 nan 8.280 nan 0.000 0.524 632 G N -1.151 107.685 108.800 0.060 0.000 2.471 632 G HA2 -0.189 3.872 3.960 0.168 0.000 0.219 632 G HA3 -0.189 3.872 3.960 0.168 0.000 0.219 632 G C 1.868 176.802 174.900 0.057 0.000 1.125 632 G CA 0.713 45.864 45.100 0.085 0.000 0.775 632 G HN 0.577 nan 8.290 nan 0.000 0.548 633 G N -0.305 108.532 108.800 0.062 0.000 2.430 633 G HA2 -0.156 3.905 3.960 0.168 0.000 0.216 633 G HA3 -0.156 3.905 3.960 0.168 0.000 0.216 633 G C 1.541 176.464 174.900 0.038 0.000 1.146 633 G CA 0.922 46.042 45.100 0.033 0.000 0.793 633 G HN 0.392 nan 8.290 nan 0.000 0.537 634 Y N 1.501 121.703 120.300 -0.164 0.000 2.114 634 Y HA -0.110 4.539 4.550 0.165 0.000 0.284 634 Y C 2.723 178.539 175.900 -0.141 0.000 1.143 634 Y CA 1.543 59.497 58.100 -0.244 0.000 1.135 634 Y CB -0.485 37.671 38.460 -0.507 0.000 0.980 634 Y HN 0.021 nan 8.280 nan 0.000 0.499 635 V N -0.321 119.475 119.914 -0.196 0.000 2.343 635 V HA -0.307 3.914 4.120 0.168 0.000 0.247 635 V C 2.323 178.309 176.094 -0.179 0.000 1.051 635 V CA 2.374 64.545 62.300 -0.216 0.000 1.036 635 V CB -1.193 30.644 31.823 0.023 0.000 0.654 635 V HN 0.480 nan 8.190 nan 0.000 0.451 636 T N 0.013 114.515 114.554 -0.086 0.000 2.684 636 T HA -0.202 4.249 4.350 0.168 0.000 0.267 636 T C 2.146 176.797 174.700 -0.080 0.000 1.036 636 T CA 2.071 64.133 62.100 -0.063 0.000 1.148 636 T CB -0.267 68.638 68.868 0.063 0.000 0.863 636 T HN 0.537 nan 8.240 nan 0.000 0.436 637 S N 1.113 116.799 115.700 -0.023 0.000 2.355 637 S HA -0.012 4.559 4.470 0.168 0.000 0.222 637 S C 2.149 176.680 174.600 -0.114 0.000 1.031 637 S CA 0.930 59.142 58.200 0.021 0.000 0.993 637 S CB -0.297 62.962 63.200 0.099 0.000 0.859 637 S HN 0.302 nan 8.310 nan 0.000 0.453 638 M N 1.062 120.508 119.600 -0.256 0.000 2.149 638 M HA -0.043 4.538 4.480 0.168 0.000 0.261 638 M C 2.178 178.324 176.300 -0.257 0.000 1.064 638 M CA 1.077 56.198 55.300 -0.298 0.000 1.102 638 M CB -1.378 30.919 32.600 -0.504 0.000 1.369 638 M HN 0.181 nan 8.290 nan 0.000 0.408 639 V N 0.354 120.108 119.914 -0.267 0.000 2.323 639 V HA -0.222 3.999 4.120 0.168 0.000 0.244 639 V C 2.497 178.407 176.094 -0.307 0.000 1.041 639 V CA 1.250 63.394 62.300 -0.260 0.000 1.025 639 V CB -0.585 31.024 31.823 -0.356 0.000 0.656 639 V HN 0.391 nan 8.190 nan 0.000 0.451 640 L N 0.497 121.470 121.223 -0.417 0.000 2.131 640 L HA -0.086 4.355 4.340 0.168 0.000 0.210 640 L C 2.190 178.537 176.870 -0.872 0.000 1.092 640 L CA 1.624 56.125 54.840 -0.565 0.000 0.759 640 L CB -0.738 40.935 42.059 -0.642 0.000 0.903 640 L HN 0.500 nan 8.230 nan 0.000 0.435 641 G N -1.462 106.775 108.800 -0.937 0.000 3.284 641 G HA2 -0.016 4.044 3.960 0.168 0.000 0.236 641 G HA3 -0.016 4.044 3.960 0.168 0.000 0.236 641 G C 1.474 176.203 174.900 -0.285 0.000 1.158 641 G CA 0.554 45.215 45.100 -0.733 0.000 0.774 641 G HN 0.430 nan 8.290 nan 0.000 0.545 642 S N -0.580 114.980 115.700 -0.233 0.000 2.425 642 S HA 0.290 4.861 4.470 0.168 0.000 0.225 642 S C 1.921 176.474 174.600 -0.078 0.000 1.024 642 S CA 1.105 59.236 58.200 -0.114 0.000 0.951 642 S CB -0.155 63.000 63.200 -0.075 0.000 0.796 642 S HN 1.391 nan 8.310 nan 0.000 0.498 643 G N 1.217 109.962 108.800 -0.093 0.000 2.137 643 G HA2 -0.306 3.755 3.960 0.168 0.000 0.237 643 G HA3 -0.306 3.755 3.960 0.168 0.000 0.237 643 G C 0.900 175.788 174.900 -0.019 0.000 1.002 643 G CA 0.923 45.990 45.100 -0.054 0.000 0.702 643 G HN 1.256 nan 8.290 nan 0.000 0.515 644 S N -0.761 114.941 115.700 0.003 0.000 2.402 644 S HA 0.301 4.872 4.470 0.168 0.000 0.229 644 S C 2.554 177.157 174.600 0.005 0.000 1.021 644 S CA 1.770 59.982 58.200 0.019 0.000 0.974 644 S CB -0.200 63.041 63.200 0.069 0.000 0.800 644 S HN 2.430 nan 8.310 nan 0.000 0.484 645 G N -0.093 108.717 108.800 0.017 0.000 2.179 645 G HA2 -0.279 3.782 3.960 0.168 0.000 0.260 645 G HA3 -0.279 3.782 3.960 0.168 0.000 0.260 645 G C 0.746 175.628 174.900 -0.030 0.000 0.977 645 G CA 0.364 45.465 45.100 0.000 0.000 0.641 645 G HN 0.709 nan 8.290 nan 0.000 0.533 646 V N -0.450 119.426 119.914 -0.063 0.000 2.591 646 V HA 0.278 4.499 4.120 0.168 0.000 0.249 646 V C 1.143 176.973 176.094 -0.440 0.000 1.053 646 V CA 1.443 63.567 62.300 -0.294 0.000 1.068 646 V CB -0.373 31.166 31.823 -0.473 0.000 0.689 646 V HN 0.304 nan 8.190 nan 0.000 0.462 647 F N -0.198 119.768 119.950 0.027 0.000 2.443 647 F HA 0.426 5.057 4.527 0.172 0.000 0.335 647 F C 1.061 176.902 175.800 0.069 0.000 1.104 647 F CA -0.715 57.326 58.000 0.069 0.000 1.013 647 F CB 1.515 40.559 39.000 0.073 0.000 1.136 647 F HN -0.272 nan 8.300 nan 0.000 0.470 648 K N 1.403 121.963 120.400 0.268 0.000 2.137 648 K HA 0.125 4.546 4.320 0.168 0.000 0.202 648 K C -0.125 176.600 176.600 0.208 0.000 1.052 648 K CA 0.893 57.298 56.287 0.196 0.000 0.961 648 K CB 0.266 32.878 32.500 0.187 0.000 0.741 648 K HN 0.804 nan 8.250 nan 0.000 0.452 649 c N -2.773 115.985 118.600 0.264 0.000 3.321 649 c HA 0.893 5.564 4.570 0.168 0.000 0.329 649 c C -0.304 174.000 174.090 0.357 0.000 1.394 649 c CA -0.581 55.929 56.329 0.301 0.000 1.291 649 c CB 1.107 43.737 42.510 0.199 0.000 1.606 649 c HN 0.345 nan 8.230 nan 0.000 0.463 650 G N 0.067 109.141 108.800 0.458 0.000 2.632 650 G HA2 0.686 4.747 3.960 0.168 0.000 0.292 650 G HA3 0.686 4.747 3.960 0.168 0.000 0.292 650 G C -1.933 173.185 174.900 0.364 0.000 1.465 650 G CA -0.693 44.646 45.100 0.399 0.000 0.824 650 G HN 1.011 nan 8.290 nan 0.000 0.509 651 I N 0.689 121.444 120.570 0.309 0.000 2.465 651 I HA 0.652 4.923 4.170 0.168 0.000 0.291 651 I C 0.204 176.436 176.117 0.191 0.000 1.014 651 I CA -1.016 60.353 61.300 0.115 0.000 1.093 651 I CB 2.244 40.302 38.000 0.097 0.000 1.267 651 I HN 0.654 nan 8.210 nan 0.000 0.431 652 A N 6.314 129.139 122.820 0.009 0.000 2.304 652 A HA 0.792 5.213 4.320 0.168 0.000 0.314 652 A C -0.827 176.659 177.584 -0.163 0.000 1.187 652 A CA -0.514 51.534 52.037 0.017 0.000 0.810 652 A CB 1.256 20.330 19.000 0.124 0.000 1.183 652 A HN 0.443 nan 8.150 nan 0.000 0.487 653 V N 1.901 121.663 119.914 -0.254 0.000 2.448 653 V HA 0.596 4.817 4.120 0.168 0.000 0.295 653 V C 0.949 176.619 176.094 -0.707 0.000 1.025 653 V CA 0.257 62.177 62.300 -0.633 0.000 0.859 653 V CB 0.976 32.113 31.823 -1.143 0.000 0.988 653 V HN 2.147 nan 8.190 nan 0.000 0.431 654 A N 5.293 127.649 122.820 -0.774 0.000 2.596 654 A HA -0.108 4.313 4.320 0.168 0.000 0.300 654 A C -1.585 175.848 177.584 -0.252 0.000 1.495 654 A CA 0.522 52.058 52.037 -0.836 0.000 0.769 654 A CB -1.638 16.992 19.000 -0.616 0.000 1.047 654 A HN 0.631 nan 8.150 nan 0.000 0.436 655 P HA 0.389 nan 4.420 nan 0.000 0.274 655 P C 0.104 177.357 177.300 -0.078 0.000 1.237 655 P CA -0.119 62.945 63.100 -0.059 0.000 0.793 655 P CB 1.225 32.916 31.700 -0.015 0.000 0.977 656 V N 2.055 121.836 119.914 -0.222 0.000 2.567 656 V HA 0.132 4.352 4.120 0.168 0.000 0.289 656 V C 1.618 177.516 176.094 -0.327 0.000 1.049 656 V CA 0.622 62.645 62.300 -0.462 0.000 0.969 656 V CB 1.019 32.166 31.823 -1.127 0.000 0.995 656 V HN 0.814 nan 8.190 nan 0.000 0.471 657 S N 3.621 119.164 115.700 -0.262 0.000 2.575 657 S HA 0.255 4.826 4.470 0.168 0.000 0.230 657 S C 0.439 174.896 174.600 -0.237 0.000 1.062 657 S CA -0.366 57.760 58.200 -0.124 0.000 0.913 657 S CB 0.315 63.510 63.200 -0.009 0.000 0.837 657 S HN 0.845 nan 8.310 nan 0.000 0.487 658 R N -1.161 119.077 120.500 -0.437 0.000 2.522 658 R HA 0.420 4.861 4.340 0.168 0.000 0.273 658 R C -1.001 174.956 176.300 -0.572 0.000 1.133 658 R CA -0.855 54.927 56.100 -0.529 0.000 0.969 658 R CB -0.334 29.661 30.300 -0.508 0.000 1.235 658 R HN 0.113 nan 8.270 nan 0.000 0.433 659 W N 1.622 122.824 121.300 -0.163 0.000 2.359 659 W HA -0.089 4.668 4.660 0.162 0.000 0.275 659 W C 0.999 177.634 176.519 0.194 0.000 1.217 659 W CA 1.037 58.380 57.345 -0.003 0.000 1.196 659 W CB 0.145 29.539 29.460 -0.110 0.000 1.129 659 W HN 0.730 nan 8.180 nan 0.000 0.566 660 E N -1.343 118.982 120.200 0.208 0.000 2.418 660 E HA -0.162 4.289 4.350 0.168 0.000 0.197 660 E C 1.226 177.925 176.600 0.164 0.000 1.026 660 E CA 0.838 57.311 56.400 0.121 0.000 0.862 660 E CB -0.305 29.353 29.700 -0.070 0.000 0.799 660 E HN 0.364 nan 8.360 nan 0.000 0.518 661 Y N -1.471 118.907 120.300 0.130 0.000 2.517 661 Y HA 0.094 4.743 4.550 0.165 0.000 0.281 661 Y C 0.570 176.552 175.900 0.137 0.000 1.125 661 Y CA -0.393 57.755 58.100 0.079 0.000 1.283 661 Y CB -0.376 38.076 38.460 -0.013 0.000 1.042 661 Y HN 0.017 nan 8.280 nan 0.000 0.547 662 Y N 2.051 122.484 120.300 0.221 0.000 2.374 662 Y HA 0.272 4.912 4.550 0.151 0.000 0.322 662 Y C 0.417 176.529 175.900 0.354 0.000 1.275 662 Y CA -2.129 56.116 58.100 0.242 0.000 1.307 662 Y CB 0.340 38.963 38.460 0.273 0.000 1.282 662 Y HN 0.206 nan 8.280 nan 0.000 0.509 663 D N -0.375 119.788 120.400 -0.395 0.000 2.390 663 D HA 0.035 4.775 4.640 0.168 0.000 0.236 663 D C 0.984 177.288 176.300 0.007 0.000 1.189 663 D CA 0.523 54.344 54.000 -0.299 0.000 0.887 663 D CB 0.700 41.122 40.800 -0.631 0.000 1.198 663 D HN 0.475 nan 8.370 nan 0.000 0.444 664 S N 0.879 116.586 115.700 0.011 0.000 2.345 664 S HA -0.196 4.375 4.470 0.168 0.000 0.220 664 S C 1.951 176.595 174.600 0.073 0.000 1.031 664 S CA 1.041 59.298 58.200 0.095 0.000 0.996 664 S CB -0.980 62.280 63.200 0.100 0.000 0.882 664 S HN 0.424 nan 8.310 nan 0.000 0.445 665 V N 0.835 120.727 119.914 -0.036 0.000 2.324 665 V HA -0.188 4.032 4.120 0.168 0.000 0.250 665 V C 2.297 178.320 176.094 -0.118 0.000 1.060 665 V CA 2.313 64.492 62.300 -0.202 0.000 1.042 665 V CB -1.069 30.470 31.823 -0.473 0.000 0.650 665 V HN 0.632 nan 8.190 nan 0.000 0.450 666 Y N 1.113 121.382 120.300 -0.052 0.000 2.153 666 Y HA -0.172 4.492 4.550 0.189 0.000 0.289 666 Y C 2.744 178.708 175.900 0.107 0.000 1.119 666 Y CA 2.188 60.345 58.100 0.095 0.000 1.116 666 Y CB -0.630 38.062 38.460 0.386 0.000 1.004 666 Y HN 0.185 nan 8.280 nan 0.000 0.501 667 T N 0.618 115.454 114.554 0.470 0.000 2.607 667 T HA -0.247 4.203 4.350 0.168 0.000 0.267 667 T C 1.567 176.285 174.700 0.031 0.000 1.049 667 T CA 2.135 64.422 62.100 0.311 0.000 1.162 667 T CB -0.408 68.779 68.868 0.532 0.000 0.863 667 T HN 0.438 nan 8.240 nan 0.000 0.424 668 E N 0.346 120.587 120.200 0.068 0.000 2.265 668 E HA -0.114 4.336 4.350 0.168 0.000 0.196 668 E C 2.326 178.830 176.600 -0.160 0.000 0.996 668 E CA 0.498 56.914 56.400 0.027 0.000 0.832 668 E CB -0.125 29.628 29.700 0.090 0.000 0.756 668 E HN 0.343 nan 8.360 nan 0.000 0.491 669 R N 0.020 120.276 120.500 -0.407 0.000 2.096 669 R HA -0.176 4.265 4.340 0.168 0.000 0.235 669 R C 1.111 176.887 176.300 -0.873 0.000 1.127 669 R CA 1.512 57.175 56.100 -0.728 0.000 0.968 669 R CB 0.043 29.610 30.300 -1.222 0.000 0.861 669 R HN 0.245 nan 8.270 nan 0.000 0.440 670 Y N -2.351 117.656 120.300 -0.487 0.000 2.498 670 Y HA 0.253 4.902 4.550 0.165 0.000 0.259 670 Y C 1.603 177.316 175.900 -0.311 0.000 1.086 670 Y CA -0.148 57.667 58.100 -0.474 0.000 1.287 670 Y CB 0.526 38.563 38.460 -0.706 0.000 1.146 670 Y HN -0.051 nan 8.280 nan 0.000 0.523 671 M N -0.275 119.218 119.600 -0.177 0.000 2.308 671 M HA 0.376 4.957 4.480 0.168 0.000 0.269 671 M C 1.042 177.354 176.300 0.020 0.000 1.040 671 M CA 0.767 55.954 55.300 -0.188 0.000 1.024 671 M CB -0.172 32.113 32.600 -0.525 0.000 1.465 671 M HN 0.340 nan 8.290 nan 0.000 0.517 672 G N 1.903 110.732 108.800 0.048 0.000 2.645 672 G HA2 -0.215 3.846 3.960 0.168 0.000 0.246 672 G HA3 -0.215 3.846 3.960 0.168 0.000 0.246 672 G C -0.771 174.266 174.900 0.228 0.000 1.322 672 G CA -0.824 44.342 45.100 0.110 0.000 0.898 672 G HN 0.246 nan 8.290 nan 0.000 0.573 673 L N 2.536 123.858 121.223 0.164 0.000 2.350 673 L HA 0.482 4.923 4.340 0.168 0.000 0.275 673 L C -1.150 175.745 176.870 0.043 0.000 1.099 673 L CA -1.553 53.345 54.840 0.098 0.000 0.808 673 L CB 1.149 43.229 42.059 0.036 0.000 1.149 673 L HN 0.441 nan 8.230 nan 0.000 0.442 674 P HA 0.099 nan 4.420 nan 0.000 0.218 674 P C -0.770 176.389 177.300 -0.235 0.000 1.793 674 P CA -0.207 62.509 63.100 -0.641 0.000 0.941 674 P CB -0.398 30.569 31.700 -1.222 0.000 1.919 675 T N -3.004 111.503 114.554 -0.078 0.000 2.908 675 T HA 0.465 4.916 4.350 0.168 0.000 0.290 675 T C -2.262 172.440 174.700 0.004 0.000 1.034 675 T CA -2.503 59.575 62.100 -0.036 0.000 1.010 675 T CB 1.802 70.658 68.868 -0.020 0.000 1.068 675 T HN -0.290 nan 8.240 nan 0.000 0.481 676 P HA -0.076 nan 4.420 nan 0.000 0.218 676 P C 0.852 178.166 177.300 0.024 0.000 1.148 676 P CA 1.065 64.176 63.100 0.019 0.000 0.822 676 P CB 0.015 31.721 31.700 0.011 0.000 0.784 677 E N -1.438 118.772 120.200 0.018 0.000 2.358 677 E HA -0.076 4.375 4.350 0.168 0.000 0.195 677 E C 1.369 177.985 176.600 0.027 0.000 1.010 677 E CA 0.690 57.101 56.400 0.018 0.000 0.856 677 E CB -0.384 29.322 29.700 0.010 0.000 0.795 677 E HN 0.312 nan 8.360 nan 0.000 0.504 678 D N -0.046 120.378 120.400 0.039 0.000 2.970 678 D HA 0.093 4.834 4.640 0.168 0.000 0.236 678 D C 0.308 176.662 176.300 0.089 0.000 1.415 678 D CA 0.076 54.110 54.000 0.057 0.000 1.279 678 D CB -0.009 40.828 40.800 0.061 0.000 0.932 678 D HN 0.029 nan 8.370 nan 0.000 0.216 679 N N 0.062 118.850 118.700 0.146 0.000 2.241 679 N HA 0.032 4.872 4.740 0.168 0.000 0.238 679 N C 1.419 177.121 175.510 0.319 0.000 1.244 679 N CA -0.125 53.054 53.050 0.216 0.000 0.880 679 N CB 0.861 39.489 38.487 0.237 0.000 1.179 679 N HN -0.002 nan 8.380 nan 0.000 0.513 680 L N 1.433 122.778 121.223 0.202 0.000 2.021 680 L HA -0.222 4.219 4.340 0.168 0.000 0.215 680 L C 1.507 178.492 176.870 0.191 0.000 1.074 680 L CA 2.028 56.965 54.840 0.162 0.000 0.760 680 L CB -0.509 41.576 42.059 0.043 0.000 0.889 680 L HN 0.188 nan 8.230 nan 0.000 0.433 681 D N -1.536 118.953 120.400 0.148 0.000 2.133 681 D HA -0.268 4.473 4.640 0.168 0.000 0.195 681 D C 2.024 178.416 176.300 0.153 0.000 0.997 681 D CA 1.830 55.905 54.000 0.126 0.000 0.840 681 D CB -0.155 40.706 40.800 0.102 0.000 0.947 681 D HN 0.610 nan 8.370 nan 0.000 0.452 682 H N -0.880 118.249 119.070 0.098 0.000 2.470 682 H HA -0.045 4.611 4.556 0.167 0.000 0.289 682 H C 1.692 177.071 175.328 0.085 0.000 1.033 682 H CA 1.031 57.111 56.048 0.054 0.000 1.331 682 H CB -0.212 29.543 29.762 -0.010 0.000 1.414 682 H HN 0.120 nan 8.280 nan 0.000 0.545 683 Y N 0.349 120.642 120.300 -0.011 0.000 2.145 683 Y HA -0.163 4.486 4.550 0.166 0.000 0.286 683 Y C 2.267 178.133 175.900 -0.058 0.000 1.145 683 Y CA 1.471 59.565 58.100 -0.010 0.000 1.148 683 Y CB 0.146 38.628 38.460 0.037 0.000 0.981 683 Y HN 0.110 nan 8.280 nan 0.000 0.507 684 R N -0.182 120.393 120.500 0.125 0.000 2.236 684 R HA -0.042 4.399 4.340 0.168 0.000 0.208 684 R C 1.093 177.390 176.300 -0.005 0.000 1.036 684 R CA 0.765 56.891 56.100 0.043 0.000 1.001 684 R CB -0.687 29.639 30.300 0.042 0.000 0.896 684 R HN 0.373 nan 8.270 nan 0.000 0.464 685 N N -0.180 118.492 118.700 -0.046 0.000 2.373 685 N HA -0.045 4.796 4.740 0.168 0.000 0.181 685 N C 0.177 175.620 175.510 -0.112 0.000 1.082 685 N CA 0.410 53.424 53.050 -0.059 0.000 0.885 685 N CB 0.445 38.928 38.487 -0.007 0.000 0.977 685 N HN 0.071 nan 8.380 nan 0.000 0.462 686 S N -0.947 114.644 115.700 -0.182 0.000 2.526 686 S HA 0.160 4.731 4.470 0.168 0.000 0.245 686 S C 0.331 174.969 174.600 0.063 0.000 1.103 686 S CA -0.787 57.368 58.200 -0.074 0.000 1.095 686 S CB -0.601 62.509 63.200 -0.151 0.000 0.826 686 S HN 0.163 nan 8.310 nan 0.000 0.468 687 T N -1.923 112.632 114.554 0.002 0.000 2.928 687 T HA 0.533 4.984 4.350 0.168 0.000 0.284 687 T C 1.241 175.941 174.700 0.001 0.000 1.008 687 T CA -0.682 61.411 62.100 -0.011 0.000 1.057 687 T CB 1.400 70.235 68.868 -0.056 0.000 1.018 687 T HN -0.030 nan 8.240 nan 0.000 0.493 688 V N 2.441 122.355 119.914 -0.002 0.000 2.453 688 V HA -0.126 4.095 4.120 0.168 0.000 0.247 688 V C 2.676 178.748 176.094 -0.037 0.000 1.048 688 V CA 1.504 63.795 62.300 -0.014 0.000 1.049 688 V CB -0.828 30.980 31.823 -0.025 0.000 0.672 688 V HN 0.869 nan 8.190 nan 0.000 0.457 689 M N 1.151 120.715 119.600 -0.061 0.000 2.296 689 M HA -0.084 4.497 4.480 0.168 0.000 0.265 689 M C 2.346 178.623 176.300 -0.038 0.000 1.064 689 M CA 2.028 57.281 55.300 -0.078 0.000 1.109 689 M CB -2.048 30.515 32.600 -0.062 0.000 1.396 689 M HN 0.555 nan 8.290 nan 0.000 0.430 690 S N 0.774 116.464 115.700 -0.017 0.000 2.469 690 S HA -0.070 4.501 4.470 0.168 0.000 0.238 690 S C 1.810 176.419 174.600 0.015 0.000 0.998 690 S CA 0.679 58.877 58.200 -0.003 0.000 0.957 690 S CB -0.504 62.694 63.200 -0.004 0.000 0.764 690 S HN 0.621 nan 8.310 nan 0.000 0.514 691 R N 0.291 120.814 120.500 0.038 0.000 2.393 691 R HA 0.459 4.900 4.340 0.168 0.000 0.244 691 R C 2.214 178.631 176.300 0.194 0.000 0.920 691 R CA 0.413 56.567 56.100 0.091 0.000 1.076 691 R CB -0.213 30.145 30.300 0.096 0.000 1.119 691 R HN 0.463 nan 8.270 nan 0.000 0.524 692 A N 1.694 124.563 122.820 0.082 0.000 1.915 692 A HA -0.322 4.099 4.320 0.168 0.000 0.220 692 A C 2.037 179.705 177.584 0.141 0.000 1.198 692 A CA 2.136 54.184 52.037 0.017 0.000 0.647 692 A CB -0.361 18.584 19.000 -0.091 0.000 0.825 692 A HN 0.310 nan 8.150 nan 0.000 0.456 693 E N 0.430 120.687 120.200 0.094 0.000 2.130 693 E HA -0.204 4.246 4.350 0.168 0.000 0.196 693 E C 1.611 178.273 176.600 0.104 0.000 0.998 693 E CA 1.948 58.398 56.400 0.085 0.000 0.806 693 E CB -0.591 29.140 29.700 0.051 0.000 0.738 693 E HN 0.791 nan 8.360 nan 0.000 0.459 694 N N -1.206 117.553 118.700 0.098 0.000 2.520 694 N HA -0.085 4.756 4.740 0.168 0.000 0.185 694 N C 0.599 176.090 175.510 -0.032 0.000 1.068 694 N CA 0.262 53.319 53.050 0.010 0.000 0.911 694 N CB -0.120 38.326 38.487 -0.068 0.000 0.961 694 N HN 0.148 nan 8.380 nan 0.000 0.446 695 F N 1.291 121.196 119.950 -0.074 0.000 2.771 695 F HA 0.050 4.677 4.527 0.165 0.000 0.299 695 F C 1.795 177.594 175.800 -0.001 0.000 1.177 695 F CA 0.588 58.537 58.000 -0.085 0.000 1.450 695 F CB 0.039 38.936 39.000 -0.171 0.000 1.114 695 F HN -0.087 nan 8.300 nan 0.000 0.587 696 K N -0.349 120.143 120.400 0.153 0.000 2.283 696 K HA -0.137 4.284 4.320 0.168 0.000 0.202 696 K C 1.714 178.370 176.600 0.093 0.000 1.048 696 K CA 0.786 57.147 56.287 0.122 0.000 0.948 696 K CB -0.050 32.503 32.500 0.089 0.000 0.742 696 K HN 0.202 nan 8.250 nan 0.000 0.458 697 Q N 0.104 119.937 119.800 0.056 0.000 2.425 697 Q HA 0.030 4.471 4.340 0.168 0.000 0.204 697 Q C 0.688 176.722 176.000 0.058 0.000 0.933 697 Q CA 0.366 56.194 55.803 0.043 0.000 0.939 697 Q CB 0.525 29.270 28.738 0.012 0.000 1.044 697 Q HN 0.212 nan 8.270 nan 0.000 0.513 698 V N -2.942 117.016 119.914 0.074 0.000 3.126 698 V HA 0.548 4.769 4.120 0.168 0.000 0.314 698 V C -0.776 175.448 176.094 0.217 0.000 1.138 698 V CA -1.222 61.148 62.300 0.118 0.000 1.034 698 V CB 2.329 34.182 31.823 0.051 0.000 1.075 698 V HN -0.084 nan 8.190 nan 0.000 0.442 699 E N 1.153 121.517 120.200 0.274 0.000 2.109 699 E HA 0.458 4.909 4.350 0.168 0.000 0.278 699 E C -1.924 175.032 176.600 0.593 0.000 0.954 699 E CA -0.371 56.264 56.400 0.392 0.000 0.779 699 E CB 1.715 31.589 29.700 0.291 0.000 1.093 699 E HN 0.672 nan 8.360 nan 0.000 0.401 700 Y N 3.343 123.879 120.300 0.395 0.000 2.393 700 Y HA 0.466 5.117 4.550 0.169 0.000 0.341 700 Y C -1.434 174.519 175.900 0.087 0.000 0.988 700 Y CA -1.242 57.028 58.100 0.283 0.000 1.078 700 Y CB 1.008 39.672 38.460 0.340 0.000 1.203 700 Y HN 0.431 nan 8.280 nan 0.000 0.453 701 L N 7.844 128.757 121.223 -0.516 0.000 2.342 701 L HA 0.481 4.922 4.340 0.168 0.000 0.276 701 L C -1.695 174.715 176.870 -0.766 0.000 0.997 701 L CA -0.705 53.709 54.840 -0.710 0.000 0.838 701 L CB 1.077 42.467 42.059 -1.114 0.000 1.224 701 L HN 0.650 nan 8.230 nan 0.000 0.416 702 L N 6.230 127.089 121.223 -0.606 0.000 2.287 702 L HA 0.588 5.029 4.340 0.168 0.000 0.287 702 L C -0.884 175.858 176.870 -0.214 0.000 1.022 702 L CA -0.457 54.096 54.840 -0.479 0.000 0.814 702 L CB 1.514 43.370 42.059 -0.338 0.000 1.217 702 L HN 0.594 nan 8.230 nan 0.000 0.420 703 I N 4.025 124.477 120.570 -0.198 0.000 2.582 703 I HA 0.474 4.745 4.170 0.168 0.000 0.292 703 I C -0.987 175.085 176.117 -0.074 0.000 1.066 703 I CA -0.726 60.512 61.300 -0.103 0.000 1.053 703 I CB 2.013 39.925 38.000 -0.148 0.000 1.241 703 I HN 0.524 nan 8.210 nan 0.000 0.421 704 H N 3.052 122.144 119.070 0.037 0.000 3.086 704 H HA 0.390 5.056 4.556 0.184 0.000 0.353 704 H C -0.810 174.734 175.328 0.360 0.000 1.134 704 H CA -0.600 55.504 56.048 0.093 0.000 1.248 704 H CB 2.441 32.147 29.762 -0.094 0.000 1.878 704 H HN 0.747 nan 8.280 nan 0.000 0.527 705 G N 1.241 110.421 108.800 0.633 0.000 2.370 705 G HA2 0.230 4.291 3.960 0.168 0.000 0.272 705 G HA3 0.230 4.291 3.960 0.168 0.000 0.272 705 G C 1.132 176.361 174.900 0.548 0.000 1.208 705 G CA 0.206 45.630 45.100 0.541 0.000 0.856 705 G HN 0.661 nan 8.290 nan 0.000 0.500 706 T N -0.473 114.264 114.554 0.305 0.000 2.962 706 T HA 0.041 4.492 4.350 0.168 0.000 0.270 706 T C 1.665 176.373 174.700 0.014 0.000 1.088 706 T CA 1.305 63.406 62.100 0.003 0.000 1.127 706 T CB 0.137 68.897 68.868 -0.179 0.000 0.883 706 T HN 0.693 nan 8.240 nan 0.000 0.493 707 A N 1.006 123.897 122.820 0.118 0.000 2.708 707 A HA 0.320 4.741 4.320 0.168 0.000 0.293 707 A C 0.335 177.919 177.584 -0.000 0.000 1.303 707 A CA -0.528 51.560 52.037 0.085 0.000 0.949 707 A CB -0.267 19.001 19.000 0.448 0.000 1.121 707 A HN 0.372 nan 8.150 nan 0.000 0.542 708 D N 1.509 121.910 120.400 0.001 0.000 2.344 708 D HA 0.011 4.751 4.640 0.168 0.000 0.253 708 D C 0.342 176.640 176.300 -0.004 0.000 1.255 708 D CA 0.020 54.132 54.000 0.187 0.000 0.894 708 D CB 0.700 41.786 40.800 0.477 0.000 1.067 708 D HN 0.561 nan 8.370 nan 0.000 0.492 709 D N 2.354 122.807 120.400 0.089 0.000 2.347 709 D HA -0.139 4.602 4.640 0.168 0.000 0.213 709 D C 0.898 177.209 176.300 0.019 0.000 0.985 709 D CA -0.022 53.972 54.000 -0.009 0.000 0.879 709 D CB 0.485 41.246 40.800 -0.066 0.000 0.919 709 D HN 0.215 nan 8.370 nan 0.000 0.526 710 N N 0.778 119.602 118.700 0.207 0.000 2.426 710 N HA -0.045 4.796 4.740 0.168 0.000 0.205 710 N C -0.059 175.465 175.510 0.023 0.000 1.040 710 N CA 0.486 53.686 53.050 0.251 0.000 0.990 710 N CB 0.366 38.942 38.487 0.148 0.000 1.215 710 N HN -0.110 nan 8.380 nan 0.000 0.491 711 V N 3.142 123.131 119.914 0.125 0.000 2.270 711 V HA 0.207 4.428 4.120 0.168 0.000 0.263 711 V C -0.518 175.683 176.094 0.179 0.000 1.066 711 V CA -0.424 61.961 62.300 0.141 0.000 0.857 711 V CB -0.632 31.343 31.823 0.253 0.000 1.099 711 V HN 0.307 nan 8.190 nan 0.000 0.476 712 H N 3.032 122.094 119.070 -0.013 0.000 3.038 712 H HA -0.063 4.592 4.556 0.165 0.000 0.338 712 H C 0.873 176.023 175.328 -0.296 0.000 1.041 712 H CA 0.042 55.983 56.048 -0.178 0.000 1.394 712 H CB 0.737 30.318 29.762 -0.301 0.000 1.357 712 H HN 0.603 nan 8.280 nan 0.000 0.600 713 F N 2.007 121.715 119.950 -0.403 0.000 2.192 713 F HA -0.318 4.304 4.527 0.158 0.000 0.301 713 F C 2.623 178.152 175.800 -0.451 0.000 1.079 713 F CA 1.869 59.447 58.000 -0.703 0.000 1.303 713 F CB -0.203 38.560 39.000 -0.395 0.000 1.024 713 F HN 0.675 nan 8.300 nan 0.000 0.494 714 Q N 0.171 119.852 119.800 -0.197 0.000 2.118 714 Q HA -0.338 4.103 4.340 0.168 0.000 0.211 714 Q C 2.118 177.870 176.000 -0.413 0.000 0.998 714 Q CA 2.428 58.059 55.803 -0.287 0.000 0.872 714 Q CB -0.413 28.116 28.738 -0.349 0.000 0.925 714 Q HN 0.580 nan 8.270 nan 0.000 0.414 715 Q N -0.417 119.168 119.800 -0.359 0.000 2.096 715 Q HA -0.137 4.304 4.340 0.168 0.000 0.204 715 Q C 2.208 178.087 176.000 -0.201 0.000 0.982 715 Q CA 1.775 57.465 55.803 -0.188 0.000 0.850 715 Q CB -0.095 28.616 28.738 -0.045 0.000 0.901 715 Q HN 0.340 nan 8.270 nan 0.000 0.422 716 S N 0.236 115.710 115.700 -0.377 0.000 2.446 716 S HA 0.055 4.626 4.470 0.168 0.000 0.225 716 S C 1.949 176.315 174.600 -0.390 0.000 1.016 716 S CA 0.577 58.557 58.200 -0.366 0.000 0.943 716 S CB 0.049 62.977 63.200 -0.453 0.000 0.786 716 S HN 0.449 nan 8.310 nan 0.000 0.508 717 A N 1.437 123.975 122.820 -0.470 0.000 1.933 717 A HA -0.109 4.312 4.320 0.168 0.000 0.218 717 A C 2.106 179.615 177.584 -0.125 0.000 1.175 717 A CA 1.075 52.982 52.037 -0.217 0.000 0.628 717 A CB -0.388 18.561 19.000 -0.086 0.000 0.814 717 A HN 0.348 nan 8.150 nan 0.000 0.444 718 Q N -0.422 119.295 119.800 -0.137 0.000 2.172 718 Q HA -0.002 4.439 4.340 0.168 0.000 0.200 718 Q C 2.097 178.050 176.000 -0.078 0.000 0.964 718 Q CA 0.925 56.691 55.803 -0.061 0.000 0.855 718 Q CB -0.289 28.466 28.738 0.029 0.000 0.918 718 Q HN 0.778 nan 8.270 nan 0.000 0.444 719 I N 0.983 121.479 120.570 -0.123 0.000 2.163 719 I HA -0.262 4.008 4.170 0.168 0.000 0.240 719 I C 2.564 178.524 176.117 -0.262 0.000 1.081 719 I CA 1.429 62.613 61.300 -0.194 0.000 1.353 719 I CB -0.484 37.401 38.000 -0.191 0.000 1.054 719 I HN 0.189 nan 8.210 nan 0.000 0.407 720 S N 1.035 116.618 115.700 -0.196 0.000 2.383 720 S HA -0.293 4.278 4.470 0.168 0.000 0.229 720 S C 2.046 176.639 174.600 -0.012 0.000 1.030 720 S CA 1.645 59.782 58.200 -0.106 0.000 1.002 720 S CB -0.455 62.847 63.200 0.170 0.000 0.829 720 S HN 0.389 nan 8.310 nan 0.000 0.467 721 K N 1.509 121.896 120.400 -0.022 0.000 2.097 721 K HA 0.083 4.504 4.320 0.168 0.000 0.205 721 K C 2.243 178.827 176.600 -0.026 0.000 1.050 721 K CA 1.076 57.364 56.287 0.001 0.000 0.938 721 K CB -0.638 31.859 32.500 -0.004 0.000 0.718 721 K HN 0.462 nan 8.250 nan 0.000 0.442 722 A N 0.971 123.742 122.820 -0.081 0.000 1.930 722 A HA -0.054 4.367 4.320 0.168 0.000 0.217 722 A C 2.050 179.564 177.584 -0.116 0.000 1.175 722 A CA 1.045 53.027 52.037 -0.092 0.000 0.627 722 A CB -0.488 18.440 19.000 -0.120 0.000 0.815 722 A HN 0.304 nan 8.150 nan 0.000 0.443 723 L N -0.669 120.429 121.223 -0.208 0.000 2.093 723 L HA -0.135 4.306 4.340 0.168 0.000 0.208 723 L C 2.504 179.384 176.870 0.017 0.000 1.085 723 L CA 0.885 55.598 54.840 -0.212 0.000 0.755 723 L CB -0.540 41.180 42.059 -0.564 0.000 0.904 723 L HN 0.233 nan 8.230 nan 0.000 0.435 724 V N -0.212 119.757 119.914 0.092 0.000 2.295 724 V HA -0.277 3.944 4.120 0.168 0.000 0.246 724 V C 1.927 178.063 176.094 0.070 0.000 1.049 724 V CA 1.855 64.237 62.300 0.137 0.000 1.024 724 V CB -0.491 31.415 31.823 0.138 0.000 0.648 724 V HN 0.429 nan 8.190 nan 0.000 0.447 725 D N -0.471 119.951 120.400 0.037 0.000 2.351 725 D HA -0.091 4.650 4.640 0.168 0.000 0.216 725 D C 1.725 178.039 176.300 0.025 0.000 0.968 725 D CA 0.854 54.869 54.000 0.025 0.000 0.899 725 D CB 0.176 40.983 40.800 0.011 0.000 0.907 725 D HN 0.352 nan 8.370 nan 0.000 0.514 726 V N -0.769 119.160 119.914 0.026 0.000 3.643 726 V HA 0.220 4.441 4.120 0.168 0.000 0.280 726 V C 1.272 177.396 176.094 0.050 0.000 1.351 726 V CA 0.724 63.043 62.300 0.031 0.000 1.073 726 V CB 0.542 32.377 31.823 0.020 0.000 0.863 726 V HN 0.321 nan 8.190 nan 0.000 0.436 727 G N 0.894 109.734 108.800 0.065 0.000 2.204 727 G HA2 -0.179 3.881 3.960 0.168 0.000 0.244 727 G HA3 -0.179 3.881 3.960 0.168 0.000 0.244 727 G C -0.096 174.867 174.900 0.106 0.000 1.062 727 G CA 0.170 45.318 45.100 0.079 0.000 0.798 727 G HN 0.376 nan 8.290 nan 0.000 0.496 728 V N 0.633 120.631 119.914 0.140 0.000 2.370 728 V HA 0.496 4.717 4.120 0.168 0.000 0.283 728 V C 0.334 176.616 176.094 0.313 0.000 1.023 728 V CA -0.480 61.934 62.300 0.190 0.000 0.857 728 V CB 1.730 33.645 31.823 0.154 0.000 0.985 728 V HN 0.455 nan 8.190 nan 0.000 0.443 729 D N 4.214 124.774 120.400 0.267 0.000 2.304 729 D HA 0.618 5.359 4.640 0.168 0.000 0.247 729 D C -0.619 175.926 176.300 0.409 0.000 1.089 729 D CA 0.142 54.291 54.000 0.249 0.000 0.910 729 D CB 0.879 41.755 40.800 0.128 0.000 1.199 729 D HN 0.350 nan 8.370 nan 0.000 0.426 730 F N -0.443 119.580 119.950 0.122 0.000 2.773 730 F HA 0.433 5.060 4.527 0.165 0.000 0.314 730 F C -1.543 174.306 175.800 0.082 0.000 1.160 730 F CA -1.150 56.943 58.000 0.155 0.000 0.920 730 F CB 0.673 39.808 39.000 0.224 0.000 1.323 730 F HN 0.108 nan 8.300 nan 0.000 0.457 731 Q N 1.440 121.295 119.800 0.092 0.000 2.235 731 Q HA 0.822 5.263 4.340 0.168 0.000 0.256 731 Q C -0.749 175.218 176.000 -0.055 0.000 0.951 731 Q CA -0.716 55.052 55.803 -0.058 0.000 0.890 731 Q CB 2.108 30.837 28.738 -0.015 0.000 1.279 731 Q HN 1.052 nan 8.270 nan 0.000 0.444 732 A N 1.662 124.423 122.820 -0.098 0.000 2.566 732 A HA 0.863 5.283 4.320 0.168 0.000 0.292 732 A C -1.349 176.176 177.584 -0.098 0.000 1.112 732 A CA -0.587 51.428 52.037 -0.036 0.000 0.707 732 A CB 2.065 21.091 19.000 0.043 0.000 1.302 732 A HN 0.623 nan 8.150 nan 0.000 0.409 733 M N 0.934 120.468 119.600 -0.109 0.000 2.307 733 M HA 0.553 5.134 4.480 0.168 0.000 0.279 733 M C -2.215 173.957 176.300 -0.214 0.000 1.080 733 M CA -0.479 54.614 55.300 -0.346 0.000 0.964 733 M CB 1.139 33.465 32.600 -0.458 0.000 1.825 733 M HN 1.032 nan 8.290 nan 0.000 0.489 734 W N 4.403 125.536 121.300 -0.277 0.000 2.578 734 W HA 0.794 5.550 4.660 0.159 0.000 0.346 734 W C -2.081 174.170 176.519 -0.447 0.000 1.075 734 W CA -0.915 56.357 57.345 -0.121 0.000 1.233 734 W CB 0.485 29.922 29.460 -0.038 0.000 1.358 734 W HN 0.612 nan 8.180 nan 0.000 0.574 735 Y N 2.647 123.087 120.300 0.234 0.000 2.464 735 Y HA 0.284 4.943 4.550 0.182 0.000 0.326 735 Y C 0.855 176.868 175.900 0.188 0.000 0.969 735 Y CA -1.082 57.067 58.100 0.083 0.000 1.270 735 Y CB 1.285 39.763 38.460 0.030 0.000 1.103 735 Y HN 0.626 nan 8.280 nan 0.000 0.491 736 T N 1.715 116.437 114.554 0.281 0.000 2.867 736 T HA 0.077 4.527 4.350 0.168 0.000 0.297 736 T C 0.476 175.229 174.700 0.087 0.000 0.989 736 T CA 0.429 62.619 62.100 0.150 0.000 1.159 736 T CB 0.109 68.976 68.868 -0.002 0.000 0.928 736 T HN 0.795 nan 8.240 nan 0.000 0.538 737 D N 1.009 121.432 120.400 0.039 0.000 2.946 737 D HA -0.112 4.629 4.640 0.168 0.000 0.202 737 D C -0.069 176.323 176.300 0.153 0.000 1.068 737 D CA 1.189 55.124 54.000 -0.108 0.000 1.011 737 D CB -0.692 39.858 40.800 -0.417 0.000 1.105 737 D HN 0.690 nan 8.370 nan 0.000 0.425 738 E N 0.964 121.295 120.200 0.217 0.000 2.313 738 E HA 0.338 4.789 4.350 0.168 0.000 0.272 738 E C 0.720 177.504 176.600 0.306 0.000 1.038 738 E CA -0.262 56.292 56.400 0.257 0.000 0.863 738 E CB 1.189 31.032 29.700 0.238 0.000 1.060 738 E HN 0.352 nan 8.360 nan 0.000 0.402 739 D N -0.133 120.463 120.400 0.327 0.000 2.481 739 D HA -0.014 4.727 4.640 0.168 0.000 0.283 739 D C 1.151 177.688 176.300 0.396 0.000 1.192 739 D CA -0.099 54.124 54.000 0.372 0.000 1.100 739 D CB -0.213 40.838 40.800 0.419 0.000 1.166 739 D HN 0.431 nan 8.370 nan 0.000 0.584 740 H N -1.559 117.712 119.070 0.336 0.000 2.422 740 H HA 0.061 4.650 4.556 0.055 0.000 0.298 740 H C 1.913 177.509 175.328 0.447 0.000 1.098 740 H CA 2.299 58.569 56.048 0.371 0.000 1.315 740 H CB -0.392 29.574 29.762 0.339 0.000 1.382 740 H HN 0.483 nan 8.280 nan 0.000 0.523 741 G N -0.531 108.452 108.800 0.305 0.000 2.777 741 G HA2 0.033 4.094 3.960 0.168 0.000 0.211 741 G HA3 0.033 4.094 3.960 0.168 0.000 0.211 741 G C 0.619 175.686 174.900 0.278 0.000 1.149 741 G CA 0.249 45.444 45.100 0.158 0.000 0.785 741 G HN 0.509 nan 8.290 nan 0.000 0.536 742 I N 0.094 120.852 120.570 0.313 0.000 5.115 742 I HA -0.336 3.935 4.170 0.168 0.000 0.126 742 I C 1.625 177.859 176.117 0.194 0.000 1.316 742 I CA 0.161 61.591 61.300 0.216 0.000 2.641 742 I CB -1.013 37.079 38.000 0.154 0.000 2.272 742 I HN 0.252 nan 8.210 nan 0.000 0.321 743 A N 1.156 124.072 122.820 0.160 0.000 2.387 743 A HA 0.288 4.709 4.320 0.168 0.000 0.234 743 A C 1.194 178.826 177.584 0.080 0.000 1.253 743 A CA 0.507 52.605 52.037 0.101 0.000 0.894 743 A CB 0.040 19.066 19.000 0.044 0.000 0.963 743 A HN 0.636 nan 8.150 nan 0.000 0.508 744 S N -0.504 115.258 115.700 0.104 0.000 2.573 744 S HA 0.134 4.705 4.470 0.168 0.000 0.277 744 S C 1.237 175.891 174.600 0.090 0.000 1.346 744 S CA 0.344 58.598 58.200 0.091 0.000 1.034 744 S CB 1.066 64.325 63.200 0.098 0.000 0.879 744 S HN 0.497 nan 8.310 nan 0.000 0.528 745 S N 1.938 117.678 115.700 0.068 0.000 2.374 745 S HA -0.182 4.389 4.470 0.168 0.000 0.227 745 S C 2.018 176.676 174.600 0.097 0.000 1.037 745 S CA 2.210 60.451 58.200 0.069 0.000 1.024 745 S CB -1.493 61.731 63.200 0.040 0.000 0.861 745 S HN 1.030 nan 8.310 nan 0.000 0.456 746 T N -0.449 114.154 114.554 0.082 0.000 2.851 746 T HA 0.257 4.708 4.350 0.168 0.000 0.262 746 T C 2.010 176.768 174.700 0.097 0.000 1.043 746 T CA 1.096 63.247 62.100 0.084 0.000 1.140 746 T CB -0.865 68.044 68.868 0.068 0.000 0.872 746 T HN 0.437 nan 8.240 nan 0.000 0.446 747 A N 1.439 124.297 122.820 0.064 0.000 1.930 747 A HA -0.080 4.341 4.320 0.168 0.000 0.217 747 A C 2.193 179.736 177.584 -0.068 0.000 1.175 747 A CA 1.948 53.956 52.037 -0.048 0.000 0.627 747 A CB -1.174 17.763 19.000 -0.105 0.000 0.815 747 A HN 0.743 nan 8.150 nan 0.000 0.443 748 H N -0.134 118.923 119.070 -0.022 0.000 2.321 748 H HA -0.111 4.541 4.556 0.161 0.000 0.300 748 H C 2.085 177.483 175.328 0.117 0.000 1.087 748 H CA 2.290 58.380 56.048 0.069 0.000 1.319 748 H CB -0.180 29.626 29.762 0.073 0.000 1.379 748 H HN 0.573 nan 8.280 nan 0.000 0.501 749 Q N -1.077 118.729 119.800 0.010 0.000 2.119 749 Q HA -0.167 4.274 4.340 0.168 0.000 0.201 749 Q C 2.130 178.118 176.000 -0.020 0.000 0.972 749 Q CA 1.229 56.996 55.803 -0.059 0.000 0.847 749 Q CB -0.122 28.619 28.738 0.005 0.000 0.903 749 Q HN 0.620 nan 8.270 nan 0.000 0.433 750 H N 0.769 119.812 119.070 -0.045 0.000 2.363 750 H HA -0.037 4.618 4.556 0.165 0.000 0.301 750 H C 1.948 177.268 175.328 -0.012 0.000 1.074 750 H CA 1.134 57.186 56.048 0.006 0.000 1.354 750 H CB 0.039 29.850 29.762 0.081 0.000 1.397 750 H HN 0.277 nan 8.280 nan 0.000 0.516 751 I N 0.008 120.572 120.570 -0.010 0.000 2.315 751 I HA -0.296 3.975 4.170 0.168 0.000 0.248 751 I C 1.670 177.573 176.117 -0.356 0.000 1.117 751 I CA 1.089 62.289 61.300 -0.167 0.000 1.404 751 I CB -0.235 37.465 38.000 -0.502 0.000 1.071 751 I HN 0.106 nan 8.210 nan 0.000 0.419 752 Y N 0.759 120.855 120.300 -0.340 0.000 2.314 752 Y HA -0.161 4.480 4.550 0.152 0.000 0.293 752 Y C 2.679 178.376 175.900 -0.340 0.000 1.129 752 Y CA 1.643 59.420 58.100 -0.538 0.000 1.201 752 Y CB -0.724 37.396 38.460 -0.567 0.000 0.999 752 Y HN 0.126 nan 8.280 nan 0.000 0.541 753 T N -1.609 112.882 114.554 -0.104 0.000 2.737 753 T HA -0.215 4.235 4.350 0.168 0.000 0.265 753 T C 1.562 176.225 174.700 -0.062 0.000 1.038 753 T CA 1.825 63.852 62.100 -0.121 0.000 1.144 753 T CB -0.419 68.375 68.868 -0.123 0.000 0.866 753 T HN 0.387 nan 8.240 nan 0.000 0.434 754 H N 0.929 119.920 119.070 -0.132 0.000 2.321 754 H HA 0.085 4.740 4.556 0.166 0.000 0.300 754 H C 2.174 177.515 175.328 0.021 0.000 1.087 754 H CA 1.656 57.689 56.048 -0.025 0.000 1.319 754 H CB -0.284 29.454 29.762 -0.040 0.000 1.379 754 H HN 0.255 nan 8.280 nan 0.000 0.501 755 M N -0.864 118.698 119.600 -0.063 0.000 2.159 755 M HA -0.164 4.417 4.480 0.168 0.000 0.263 755 M C 2.427 178.840 176.300 0.189 0.000 1.063 755 M CA 1.505 56.758 55.300 -0.079 0.000 1.110 755 M CB 0.032 32.350 32.600 -0.470 0.000 1.374 755 M HN 0.192 nan 8.290 nan 0.000 0.411 756 S N -0.707 115.121 115.700 0.214 0.000 2.368 756 S HA -0.152 4.418 4.470 0.168 0.000 0.225 756 S C 1.709 176.393 174.600 0.140 0.000 1.030 756 S CA 0.984 59.392 58.200 0.346 0.000 0.999 756 S CB -0.554 62.809 63.200 0.273 0.000 0.844 756 S HN 0.471 nan 8.310 nan 0.000 0.459 757 H N -0.268 118.866 119.070 0.107 0.000 2.353 757 H HA -0.044 4.613 4.556 0.168 0.000 0.300 757 H C 1.984 177.324 175.328 0.020 0.000 1.090 757 H CA 1.329 57.399 56.048 0.036 0.000 1.327 757 H CB -0.637 29.102 29.762 -0.038 0.000 1.383 757 H HN 0.453 nan 8.280 nan 0.000 0.508 758 F N 1.217 121.162 119.950 -0.007 0.000 2.102 758 F HA -0.181 4.450 4.527 0.172 0.000 0.298 758 F C 2.262 178.028 175.800 -0.056 0.000 1.105 758 F CA 0.817 58.780 58.000 -0.061 0.000 1.239 758 F CB -0.269 38.665 39.000 -0.110 0.000 0.991 758 F HN -0.049 nan 8.300 nan 0.000 0.474 759 I N 0.862 121.445 120.570 0.022 0.000 2.179 759 I HA -0.266 4.005 4.170 0.168 0.000 0.242 759 I C 2.280 178.243 176.117 -0.256 0.000 1.088 759 I CA 1.435 62.608 61.300 -0.212 0.000 1.357 759 I CB -1.289 36.688 38.000 -0.039 0.000 1.051 759 I HN 0.188 nan 8.210 nan 0.000 0.409 760 K N 0.179 120.559 120.400 -0.033 0.000 2.097 760 K HA -0.217 4.204 4.320 0.168 0.000 0.206 760 K C 1.996 178.601 176.600 0.009 0.000 1.049 760 K CA 0.994 57.310 56.287 0.049 0.000 0.933 760 K CB -0.267 32.294 32.500 0.101 0.000 0.717 760 K HN 0.405 nan 8.250 nan 0.000 0.442 761 Q N 0.927 120.682 119.800 -0.074 0.000 2.079 761 Q HA -0.161 4.280 4.340 0.168 0.000 0.200 761 Q C 2.278 178.183 176.000 -0.158 0.000 0.974 761 Q CA 1.395 57.136 55.803 -0.104 0.000 0.840 761 Q CB -0.336 28.319 28.738 -0.137 0.000 0.898 761 Q HN 0.376 nan 8.270 nan 0.000 0.430 762 c N 0.041 118.439 118.600 -0.338 0.000 2.432 762 c HA -0.042 4.629 4.570 0.168 0.000 0.280 762 c C 2.171 176.272 174.090 0.018 0.000 1.353 762 c CA 0.260 56.407 56.329 -0.303 0.000 1.766 762 c CB -1.193 40.961 42.510 -0.594 0.000 1.924 762 c HN 0.481 nan 8.230 nan 0.000 0.509 763 F N 1.191 121.099 119.950 -0.071 0.000 2.746 763 F HA 0.326 4.955 4.527 0.169 0.000 0.297 763 F C 1.506 177.292 175.800 -0.023 0.000 1.113 763 F CA -0.035 57.947 58.000 -0.028 0.000 1.367 763 F CB -0.673 38.320 39.000 -0.013 0.000 1.111 763 F HN 0.142 nan 8.300 nan 0.000 0.590 764 S N 0.000 115.791 115.700 0.152 0.000 2.498 764 S HA 0.000 4.571 4.470 0.168 0.000 0.327 764 S CA 0.000 58.249 58.200 0.081 0.000 1.107 764 S CB 0.000 63.240 63.200 0.067 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517