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 2ajl_1_J DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.633 174.600 0.056 0.000 1.055 39 S CA 0.000 58.227 58.200 0.045 0.000 1.107 39 S CB 0.000 63.227 63.200 0.045 0.000 0.593 40 R N 1.635 122.174 120.500 0.066 0.000 2.445 40 R HA 0.479 4.819 4.340 0.000 0.000 0.308 40 R C 0.048 176.400 176.300 0.087 0.000 0.961 40 R CA -1.061 55.085 56.100 0.077 0.000 0.862 40 R CB 1.397 31.746 30.300 0.083 0.000 1.144 40 R HN 0.668 nan 8.270 nan 0.000 0.447 41 K N 0.704 121.161 120.400 0.095 0.000 2.118 41 K HA 0.337 4.657 4.320 0.000 0.000 0.240 41 K C -0.186 176.483 176.600 0.114 0.000 1.035 41 K CA -0.525 55.827 56.287 0.108 0.000 0.899 41 K CB 0.740 33.317 32.500 0.128 0.000 1.085 41 K HN 0.608 nan 8.250 nan 0.000 0.498 42 T N -2.928 111.704 114.554 0.129 0.000 2.888 42 T HA 0.185 4.535 4.350 0.000 0.000 0.288 42 T C -1.057 173.770 174.700 0.212 0.000 1.063 42 T CA -0.821 61.362 62.100 0.139 0.000 1.010 42 T CB 0.542 69.478 68.868 0.115 0.000 1.214 42 T HN 0.539 nan 8.240 nan 0.000 0.533 43 Y N 3.087 123.444 120.300 0.094 0.000 2.616 43 Y HA 0.351 4.901 4.550 0.000 0.000 0.350 43 Y C 1.224 177.280 175.900 0.260 0.000 1.119 43 Y CA -0.516 57.680 58.100 0.161 0.000 1.467 43 Y CB -0.764 37.747 38.460 0.086 0.000 1.287 43 Y HN 0.996 nan 8.280 nan 0.000 0.504 44 T N 1.537 116.095 114.554 0.007 0.000 2.667 44 T HA 0.009 4.359 4.350 0.000 0.000 0.305 44 T C 1.348 175.955 174.700 -0.154 0.000 1.022 44 T CA -0.399 61.733 62.100 0.053 0.000 0.995 44 T CB 0.658 69.533 68.868 0.011 0.000 1.026 44 T HN 0.759 nan 8.240 nan 0.000 0.527 45 L N -0.169 120.863 121.223 -0.319 0.000 2.131 45 L HA -0.028 4.312 4.340 0.000 0.000 0.206 45 L C 2.827 179.556 176.870 -0.235 0.000 1.087 45 L CA 1.387 55.883 54.840 -0.572 0.000 0.767 45 L CB -0.804 40.802 42.059 -0.755 0.000 0.917 45 L HN 0.886 nan 8.230 nan 0.000 0.441 46 T N -0.476 113.970 114.554 -0.181 0.000 2.929 46 T HA -0.149 4.201 4.350 0.000 0.000 0.271 46 T C 1.221 175.841 174.700 -0.133 0.000 1.085 46 T CA 1.255 63.280 62.100 -0.125 0.000 1.125 46 T CB -0.162 68.656 68.868 -0.085 0.000 0.874 46 T HN 0.361 nan 8.240 nan 0.000 0.494 47 D N -0.020 120.266 120.400 -0.191 0.000 2.123 47 D HA -0.033 4.607 4.640 0.000 0.000 0.200 47 D C 1.620 177.859 176.300 -0.101 0.000 0.976 47 D CA 0.821 54.706 54.000 -0.191 0.000 0.831 47 D CB -0.278 40.347 40.800 -0.292 0.000 0.974 47 D HN 0.455 nan 8.370 nan 0.000 0.469 48 Y N 1.340 121.471 120.300 -0.283 0.000 2.243 48 Y HA 0.005 4.555 4.550 0.000 0.000 0.293 48 Y C 2.028 177.943 175.900 0.026 0.000 1.124 48 Y CA 1.059 59.170 58.100 0.019 0.000 1.159 48 Y CB -0.420 38.097 38.460 0.096 0.000 1.008 48 Y HN -0.137 nan 8.280 nan 0.000 0.527 49 L N 0.161 121.223 121.223 -0.269 0.000 2.027 49 L HA -0.156 4.184 4.340 0.000 0.000 0.206 49 L C 1.715 178.483 176.870 -0.171 0.000 1.074 49 L CA 1.361 56.029 54.840 -0.286 0.000 0.745 49 L CB -0.475 41.493 42.059 -0.152 0.000 0.898 49 L HN 0.046 nan 8.230 nan 0.000 0.433 50 K N 0.457 120.784 120.400 -0.120 0.000 2.469 50 K HA 0.022 4.342 4.320 0.000 0.000 0.201 50 K C 0.030 176.586 176.600 -0.074 0.000 1.028 50 K CA -0.129 56.106 56.287 -0.085 0.000 1.170 50 K CB -0.871 31.584 32.500 -0.076 0.000 0.874 50 K HN 0.327 nan 8.250 nan 0.000 0.507 51 N N 2.170 120.828 118.700 -0.069 0.000 2.702 51 N HA -0.250 4.490 4.740 0.000 0.000 0.261 51 N C 0.498 176.012 175.510 0.007 0.000 0.965 51 N CA 0.429 53.483 53.050 0.006 0.000 0.795 51 N CB -0.134 38.347 38.487 -0.009 0.000 0.909 51 N HN 0.346 nan 8.380 nan 0.000 0.546 52 T N -2.235 112.291 114.554 -0.047 0.000 2.777 52 T HA -0.172 4.178 4.350 0.000 0.000 0.266 52 T C 0.656 175.229 174.700 -0.213 0.000 1.040 52 T CA 1.111 63.093 62.100 -0.196 0.000 1.141 52 T CB -0.220 68.422 68.868 -0.376 0.000 0.868 52 T HN 0.355 nan 8.240 nan 0.000 0.444 53 Y N 2.361 122.763 120.300 0.169 0.000 2.676 53 Y HA 0.560 5.110 4.550 0.000 0.000 0.338 53 Y C 0.727 176.728 175.900 0.167 0.000 1.057 53 Y CA -1.256 56.953 58.100 0.182 0.000 1.314 53 Y CB 0.144 38.762 38.460 0.263 0.000 1.164 53 Y HN -0.024 nan 8.280 nan 0.000 0.509 54 R N 2.154 122.781 120.500 0.212 0.000 2.459 54 R HA 0.485 4.825 4.340 0.000 0.000 0.281 54 R C -0.856 175.538 176.300 0.158 0.000 1.050 54 R CA -0.524 55.673 56.100 0.162 0.000 1.055 54 R CB 0.758 31.113 30.300 0.091 0.000 1.045 54 R HN 0.594 nan 8.270 nan 0.000 0.495 55 L N 3.572 124.885 121.223 0.149 0.000 2.262 55 L HA 0.315 4.655 4.340 0.000 0.000 0.288 55 L C -0.098 176.836 176.870 0.107 0.000 1.035 55 L CA -0.452 54.469 54.840 0.136 0.000 0.820 55 L CB 1.255 43.418 42.059 0.174 0.000 1.204 55 L HN 0.443 nan 8.230 nan 0.000 0.424 56 K N 4.369 124.821 120.400 0.086 0.000 2.401 56 K HA 0.329 4.649 4.320 0.000 0.000 0.278 56 K C -0.434 176.181 176.600 0.025 0.000 1.018 56 K CA 0.001 56.318 56.287 0.051 0.000 0.981 56 K CB 0.894 33.422 32.500 0.046 0.000 0.933 56 K HN 0.469 nan 8.250 nan 0.000 0.477 57 L N 1.854 123.043 121.223 -0.057 0.000 2.341 57 L HA 0.465 4.805 4.340 0.000 0.000 0.267 57 L C -0.740 175.922 176.870 -0.346 0.000 1.022 57 L CA -1.059 53.652 54.840 -0.215 0.000 0.844 57 L CB 0.683 42.708 42.059 -0.056 0.000 1.436 57 L HN 0.577 nan 8.230 nan 0.000 0.483 58 Y N 0.080 120.014 120.300 -0.609 0.000 2.555 58 Y HA 0.220 4.770 4.550 0.000 0.000 0.307 58 Y C -0.844 174.928 175.900 -0.214 0.000 1.138 58 Y CA -0.705 57.143 58.100 -0.420 0.000 1.335 58 Y CB 0.876 38.884 38.460 -0.754 0.000 1.115 58 Y HN 0.357 nan 8.280 nan 0.000 0.565 59 S N 5.048 120.794 115.700 0.076 0.000 2.400 59 S HA 0.432 4.902 4.470 0.000 0.000 0.295 59 S C 0.006 174.687 174.600 0.135 0.000 1.113 59 S CA -0.441 57.821 58.200 0.104 0.000 1.064 59 S CB 0.250 63.492 63.200 0.069 0.000 0.990 59 S HN 0.419 nan 8.310 nan 0.000 0.502 60 L N 2.484 123.724 121.223 0.027 0.000 2.744 60 L HA 0.663 5.003 4.340 0.000 0.000 0.218 60 L C 0.747 177.625 176.870 0.013 0.000 1.190 60 L CA -0.219 54.550 54.840 -0.119 0.000 0.869 60 L CB 0.085 41.734 42.059 -0.684 0.000 1.652 60 L HN 0.565 nan 8.230 nan 0.000 0.519 61 R N -0.961 119.537 120.500 -0.003 0.000 2.891 61 R HA 0.168 4.508 4.340 0.000 0.000 0.202 61 R C -2.124 174.294 176.300 0.197 0.000 1.510 61 R CA -0.426 55.759 56.100 0.141 0.000 1.294 61 R CB -0.355 30.056 30.300 0.184 0.000 1.556 61 R HN 0.399 nan 8.270 nan 0.000 0.694 62 W N 4.634 126.065 121.300 0.218 0.000 2.513 62 W HA -0.003 4.657 4.660 0.000 0.000 0.339 62 W C 1.573 178.204 176.519 0.187 0.000 1.257 62 W CA 0.087 57.573 57.345 0.236 0.000 1.280 62 W CB 0.366 29.954 29.460 0.213 0.000 1.214 62 W HN 0.522 nan 8.180 nan 0.000 0.567 63 I N 0.510 121.303 120.570 0.373 0.000 4.057 63 I HA 0.262 4.432 4.170 0.000 0.000 0.334 63 I C 0.726 176.994 176.117 0.251 0.000 1.308 63 I CA -0.021 61.418 61.300 0.232 0.000 1.125 63 I CB -0.279 37.784 38.000 0.106 0.000 1.034 63 I HN 0.270 nan 8.210 nan 0.000 0.401 64 S N -0.330 115.591 115.700 0.370 0.000 2.757 64 S HA 0.289 4.759 4.470 0.000 0.000 0.285 64 S C -0.420 174.443 174.600 0.439 0.000 1.196 64 S CA -0.394 58.027 58.200 0.369 0.000 0.856 64 S CB 1.728 65.153 63.200 0.374 0.000 1.212 64 S HN 0.080 nan 8.310 nan 0.000 0.516 65 D N -1.042 119.584 120.400 0.378 0.000 2.342 65 D HA 0.322 4.963 4.640 0.000 0.000 0.221 65 D C 0.473 176.731 176.300 -0.071 0.000 1.101 65 D CA 0.386 54.406 54.000 0.032 0.000 0.837 65 D CB -0.016 40.675 40.800 -0.181 0.000 0.938 65 D HN 0.592 nan 8.370 nan 0.000 0.508 66 H N -1.910 117.445 119.070 0.475 0.000 3.794 66 H HA 0.431 4.987 4.556 0.000 0.000 0.258 66 H C -0.159 175.423 175.328 0.423 0.000 1.120 66 H CA -0.236 56.117 56.048 0.508 0.000 1.166 66 H CB 0.568 30.536 29.762 0.343 0.000 1.517 66 H HN 0.003 nan 8.280 nan 0.000 0.615 67 E N 0.374 120.895 120.200 0.535 0.000 2.392 67 E HA 0.472 4.822 4.350 0.000 0.000 0.269 67 E C -1.503 175.265 176.600 0.281 0.000 0.924 67 E CA -1.347 55.220 56.400 0.278 0.000 0.784 67 E CB 2.952 32.749 29.700 0.162 0.000 1.292 67 E HN 0.185 nan 8.360 nan 0.000 0.447 68 Y N -1.207 119.100 120.300 0.010 0.000 2.571 68 Y HA 0.549 5.099 4.550 0.000 0.000 0.341 68 Y C -1.747 174.156 175.900 0.006 0.000 1.076 68 Y CA -1.305 56.716 58.100 -0.131 0.000 1.029 68 Y CB 0.780 38.853 38.460 -0.646 0.000 1.308 68 Y HN 0.335 nan 8.280 nan 0.000 0.461 69 L N 3.684 125.057 121.223 0.248 0.000 2.334 69 L HA 0.434 4.774 4.340 0.000 0.000 0.277 69 L C -1.288 175.805 176.870 0.372 0.000 1.075 69 L CA -0.844 54.128 54.840 0.219 0.000 0.804 69 L CB 1.329 43.487 42.059 0.164 0.000 1.174 69 L HN 0.806 nan 8.230 nan 0.000 0.438 70 Y N 2.924 123.320 120.300 0.160 0.000 2.396 70 Y HA 0.262 4.812 4.550 0.000 0.000 0.332 70 Y C -0.385 175.528 175.900 0.022 0.000 1.034 70 Y CA -1.254 56.880 58.100 0.056 0.000 1.057 70 Y CB 1.652 40.111 38.460 -0.001 0.000 1.220 70 Y HN 0.442 nan 8.280 nan 0.000 0.440 71 K N 3.569 123.625 120.400 -0.573 0.000 2.297 71 K HA 0.144 4.464 4.320 0.000 0.000 0.286 71 K C 0.217 176.523 176.600 -0.490 0.000 1.053 71 K CA -0.285 55.749 56.287 -0.421 0.000 0.940 71 K CB 1.064 33.372 32.500 -0.321 0.000 1.019 71 K HN 0.651 nan 8.250 nan 0.000 0.475 72 Q N 3.717 123.389 119.800 -0.213 0.000 2.265 72 Q HA -0.024 4.316 4.340 0.000 0.000 0.217 72 Q C -0.931 174.996 176.000 -0.121 0.000 0.916 72 Q CA 0.716 56.450 55.803 -0.115 0.000 0.948 72 Q CB -0.583 28.142 28.738 -0.022 0.000 1.020 72 Q HN 0.779 nan 8.270 nan 0.000 0.462 73 E N -0.525 119.566 120.200 -0.181 0.000 2.440 73 E HA -0.320 4.030 4.350 0.000 0.000 0.246 73 E C 0.177 176.727 176.600 -0.084 0.000 1.165 73 E CA 0.711 57.033 56.400 -0.130 0.000 0.726 73 E CB -1.094 28.544 29.700 -0.104 0.000 1.271 73 E HN 0.496 nan 8.360 nan 0.000 0.397 74 N N -0.167 118.483 118.700 -0.083 0.000 2.408 74 N HA -0.067 4.673 4.740 0.000 0.000 0.332 74 N C -1.618 173.854 175.510 -0.063 0.000 0.852 74 N CA 0.802 53.817 53.050 -0.060 0.000 0.870 74 N CB 0.329 38.787 38.487 -0.049 0.000 2.360 74 N HN 0.328 nan 8.380 nan 0.000 1.062 75 N N 1.398 120.051 118.700 -0.079 0.000 2.666 75 N HA 0.174 4.914 4.740 0.000 0.000 0.260 75 N C -0.468 174.987 175.510 -0.092 0.000 1.077 75 N CA -0.580 52.422 53.050 -0.079 0.000 1.026 75 N CB 0.674 39.123 38.487 -0.064 0.000 1.653 75 N HN 0.217 nan 8.380 nan 0.000 0.533 76 I N -0.056 120.435 120.570 -0.131 0.000 2.529 76 I HA 0.508 4.678 4.170 0.000 0.000 0.284 76 I C -0.197 175.926 176.117 0.009 0.000 1.082 76 I CA -0.619 60.595 61.300 -0.143 0.000 1.406 76 I CB 0.550 38.301 38.000 -0.414 0.000 1.405 76 I HN 0.528 nan 8.210 nan 0.000 0.548 77 L N 5.470 126.736 121.223 0.071 0.000 2.257 77 L HA 0.899 5.239 4.340 0.000 0.000 0.257 77 L C -0.349 176.586 176.870 0.109 0.000 1.033 77 L CA -1.170 53.736 54.840 0.111 0.000 0.835 77 L CB 1.439 43.519 42.059 0.036 0.000 1.398 77 L HN 0.589 nan 8.230 nan 0.000 0.429 78 V N -1.850 118.080 119.914 0.028 0.000 2.612 78 V HA 0.624 4.744 4.120 0.000 0.000 0.301 78 V C -0.897 175.057 176.094 -0.234 0.000 1.046 78 V CA -0.329 61.945 62.300 -0.045 0.000 0.946 78 V CB 1.296 33.127 31.823 0.013 0.000 1.003 78 V HN 0.609 nan 8.190 nan 0.000 0.459 79 F N 2.105 121.811 119.950 -0.406 0.000 2.563 79 F HA 0.519 5.046 4.527 0.000 0.000 0.316 79 F C 0.244 175.771 175.800 -0.454 0.000 1.076 79 F CA -0.654 56.991 58.000 -0.592 0.000 0.921 79 F CB 2.154 40.329 39.000 -1.376 0.000 1.209 79 F HN 0.652 nan 8.300 nan 0.000 0.462 80 N N 1.998 120.640 118.700 -0.097 0.000 2.485 80 N HA 0.299 5.039 4.740 0.000 0.000 0.243 80 N C 0.471 175.980 175.510 -0.001 0.000 0.987 80 N CA 0.139 53.198 53.050 0.015 0.000 0.940 80 N CB 1.760 40.305 38.487 0.097 0.000 1.122 80 N HN 0.802 nan 8.380 nan 0.000 0.509 81 A N 3.675 126.462 122.820 -0.056 0.000 1.917 81 A HA -0.234 4.086 4.320 0.000 0.000 0.219 81 A C 1.906 179.201 177.584 -0.482 0.000 1.182 81 A CA 1.881 53.760 52.037 -0.263 0.000 0.633 81 A CB -0.513 18.224 19.000 -0.439 0.000 0.819 81 A HN 0.789 nan 8.150 nan 0.000 0.448 82 E N -0.768 119.176 120.200 -0.427 0.000 2.021 82 E HA -0.217 4.133 4.350 0.000 0.000 0.200 82 E C 1.560 177.902 176.600 -0.430 0.000 1.015 82 E CA 2.266 58.425 56.400 -0.402 0.000 0.824 82 E CB -0.451 29.082 29.700 -0.278 0.000 0.762 82 E HN 0.725 nan 8.360 nan 0.000 0.454 83 Y N -1.938 118.335 120.300 -0.044 0.000 2.497 83 Y HA 0.369 4.919 4.550 0.000 0.000 0.265 83 Y C 1.762 177.645 175.900 -0.028 0.000 1.111 83 Y CA 0.342 58.426 58.100 -0.027 0.000 1.288 83 Y CB 0.601 39.052 38.460 -0.016 0.000 1.082 83 Y HN 0.287 nan 8.280 nan 0.000 0.536 84 G N 0.634 109.505 108.800 0.118 0.000 2.199 84 G HA2 -0.326 3.635 3.960 0.000 0.000 0.254 84 G HA3 -0.326 3.635 3.960 0.000 0.000 0.254 84 G C 0.171 175.140 174.900 0.115 0.000 0.982 84 G CA 0.119 45.291 45.100 0.119 0.000 0.632 84 G HN 0.481 nan 8.290 nan 0.000 0.529 85 N N 0.629 119.357 118.700 0.046 0.000 2.453 85 N HA 0.501 5.241 4.740 0.000 0.000 0.253 85 N C -0.083 175.270 175.510 -0.261 0.000 1.252 85 N CA 0.913 53.918 53.050 -0.075 0.000 0.917 85 N CB 1.678 40.120 38.487 -0.075 0.000 1.117 85 N HN 0.383 nan 8.380 nan 0.000 0.442 86 S N -0.093 115.341 115.700 -0.444 0.000 2.810 86 S HA 0.701 5.171 4.470 0.000 0.000 0.315 86 S C -1.332 173.009 174.600 -0.431 0.000 1.138 86 S CA -0.619 57.120 58.200 -0.768 0.000 0.889 86 S CB 1.206 63.386 63.200 -1.699 0.000 1.236 86 S HN 0.781 nan 8.310 nan 0.000 0.548 87 S N 0.182 115.651 115.700 -0.384 0.000 2.542 87 S HA 0.425 4.895 4.470 0.000 0.000 0.276 87 S C -1.617 172.911 174.600 -0.120 0.000 1.148 87 S CA -0.515 57.567 58.200 -0.197 0.000 0.886 87 S CB 1.255 64.376 63.200 -0.132 0.000 1.109 87 S HN 0.620 nan 8.310 nan 0.000 0.458 88 V N 6.290 126.155 119.914 -0.082 0.000 2.393 88 V HA 0.117 4.237 4.120 0.000 0.000 0.257 88 V C 1.074 177.169 176.094 0.001 0.000 1.040 88 V CA 0.511 62.788 62.300 -0.039 0.000 1.097 88 V CB -1.000 30.785 31.823 -0.063 0.000 1.101 88 V HN 0.887 nan 8.190 nan 0.000 0.479 89 F N 5.486 125.383 119.950 -0.087 0.000 2.022 89 F HA 0.067 4.594 4.527 0.000 0.000 0.293 89 F C 0.849 176.615 175.800 -0.056 0.000 1.142 89 F CA 1.325 59.289 58.000 -0.061 0.000 1.177 89 F CB 0.340 39.318 39.000 -0.037 0.000 0.982 89 F HN 0.355 nan 8.300 nan 0.000 0.473 90 L N 1.435 122.694 121.223 0.059 0.000 2.333 90 L HA 0.357 4.697 4.340 0.000 0.000 0.280 90 L C -0.983 175.840 176.870 -0.078 0.000 1.004 90 L CA -0.550 54.248 54.840 -0.071 0.000 0.820 90 L CB 1.524 43.633 42.059 0.083 0.000 1.247 90 L HN 0.137 nan 8.230 nan 0.000 0.416 91 E N 2.640 122.753 120.200 -0.144 0.000 2.249 91 E HA 0.159 4.509 4.350 0.000 0.000 0.280 91 E C 0.285 176.804 176.600 -0.137 0.000 1.016 91 E CA -0.250 56.071 56.400 -0.131 0.000 0.830 91 E CB 1.174 30.788 29.700 -0.143 0.000 1.081 91 E HN 0.656 nan 8.360 nan 0.000 0.395 92 N N 1.905 120.549 118.700 -0.093 0.000 2.037 92 N HA -0.197 4.543 4.740 0.000 0.000 0.196 92 N C 0.531 175.981 175.510 -0.099 0.000 1.034 92 N CA 1.721 54.728 53.050 -0.072 0.000 0.861 92 N CB -0.091 38.362 38.487 -0.056 0.000 1.039 92 N HN 0.364 nan 8.380 nan 0.000 0.427 93 S N -1.651 113.982 115.700 -0.112 0.000 4.051 93 S HA 0.205 4.675 4.470 0.000 0.000 0.215 93 S C 0.166 174.646 174.600 -0.200 0.000 1.289 93 S CA 0.005 58.130 58.200 -0.126 0.000 0.907 93 S CB 0.065 63.204 63.200 -0.102 0.000 1.603 93 S HN 0.401 nan 8.310 nan 0.000 0.453 94 T N 0.135 114.521 114.554 -0.281 0.000 3.636 94 T HA 0.213 4.563 4.350 0.000 0.000 0.279 94 T C -0.032 174.280 174.700 -0.646 0.000 0.977 94 T CA -0.214 61.576 62.100 -0.517 0.000 1.139 94 T CB -0.215 68.208 68.868 -0.743 0.000 1.147 94 T HN 0.469 nan 8.240 nan 0.000 0.442 95 F N 3.559 123.328 119.950 -0.302 0.000 2.974 95 F HA 0.389 4.916 4.527 0.000 0.000 0.292 95 F C 0.292 175.966 175.800 -0.209 0.000 1.209 95 F CA -1.276 56.492 58.000 -0.388 0.000 1.366 95 F CB -0.356 38.372 39.000 -0.454 0.000 1.033 95 F HN 0.056 nan 8.300 nan 0.000 0.516 96 D N 0.046 120.418 120.400 -0.047 0.000 2.383 96 D HA 0.095 4.735 4.640 0.000 0.000 0.248 96 D C 0.870 177.168 176.300 -0.004 0.000 1.170 96 D CA -0.103 53.890 54.000 -0.011 0.000 0.977 96 D CB 0.584 41.358 40.800 -0.043 0.000 1.120 96 D HN 0.271 nan 8.370 nan 0.000 0.481 97 E N -0.905 119.297 120.200 0.004 0.000 3.253 97 E HA -0.286 4.064 4.350 0.000 0.000 0.284 97 E C 0.882 177.494 176.600 0.021 0.000 0.958 97 E CA 0.196 56.596 56.400 -0.000 0.000 0.917 97 E CB -1.467 28.225 29.700 -0.013 0.000 1.466 97 E HN 0.546 nan 8.360 nan 0.000 0.455 98 F N 0.289 120.116 119.950 -0.206 0.000 2.202 98 F HA -0.197 4.330 4.527 0.000 0.000 0.301 98 F C 2.024 177.387 175.800 -0.728 0.000 1.082 98 F CA 1.312 59.072 58.000 -0.399 0.000 1.313 98 F CB 0.075 38.839 39.000 -0.393 0.000 1.024 98 F HN 0.297 nan 8.300 nan 0.000 0.495 99 G N -0.300 108.300 108.800 -0.334 0.000 2.195 99 G HA2 -0.258 3.702 3.960 0.000 0.000 0.246 99 G HA3 -0.258 3.702 3.960 0.000 0.000 0.246 99 G C -0.145 174.672 174.900 -0.139 0.000 0.984 99 G CA 0.362 45.306 45.100 -0.261 0.000 0.633 99 G HN 0.574 nan 8.290 nan 0.000 0.525 100 H N -0.748 118.141 119.070 -0.302 0.000 2.990 100 H HA 0.781 5.337 4.556 0.000 0.000 0.343 100 H C -0.653 174.535 175.328 -0.233 0.000 1.270 100 H CA -0.176 55.688 56.048 -0.305 0.000 1.118 100 H CB 0.986 30.475 29.762 -0.455 0.000 1.861 100 H HN 0.328 nan 8.280 nan 0.000 0.544 101 S N 0.610 116.318 115.700 0.014 0.000 2.549 101 S HA 0.557 5.027 4.470 0.000 0.000 0.297 101 S C -0.360 174.271 174.600 0.053 0.000 1.115 101 S CA -0.732 57.484 58.200 0.027 0.000 1.059 101 S CB 0.258 63.476 63.200 0.030 0.000 1.046 101 S HN 0.400 nan 8.310 nan 0.000 0.506 102 I N 4.757 125.364 120.570 0.062 0.000 2.392 102 I HA 0.325 4.495 4.170 0.000 0.000 0.295 102 I C 0.811 176.944 176.117 0.026 0.000 0.985 102 I CA -0.358 60.979 61.300 0.062 0.000 1.221 102 I CB 1.503 39.543 38.000 0.067 0.000 1.366 102 I HN 0.872 nan 8.210 nan 0.000 0.467 103 N N 3.201 121.894 118.700 -0.011 0.000 2.177 103 N HA 0.080 4.820 4.740 0.000 0.000 0.218 103 N C -0.545 174.930 175.510 -0.058 0.000 1.182 103 N CA -0.066 52.941 53.050 -0.071 0.000 0.882 103 N CB 1.363 39.740 38.487 -0.183 0.000 1.052 103 N HN 0.596 nan 8.380 nan 0.000 0.519 104 D N 0.480 120.890 120.400 0.017 0.000 2.414 104 D HA 0.046 4.686 4.640 0.000 0.000 0.187 104 D C -1.199 175.178 176.300 0.128 0.000 1.255 104 D CA -0.387 53.651 54.000 0.063 0.000 0.825 104 D CB 0.502 41.293 40.800 -0.016 0.000 1.912 104 D HN 0.129 nan 8.370 nan 0.000 0.530 105 Y N 0.922 121.270 120.300 0.080 0.000 2.392 105 Y HA 0.775 5.325 4.550 0.000 0.000 0.323 105 Y C -0.310 175.707 175.900 0.195 0.000 1.291 105 Y CA -1.065 57.116 58.100 0.135 0.000 1.345 105 Y CB 1.271 39.825 38.460 0.157 0.000 1.320 105 Y HN 0.130 nan 8.280 nan 0.000 0.518 106 S N 2.660 118.416 115.700 0.093 0.000 2.536 106 S HA 0.316 4.787 4.470 0.000 0.000 0.246 106 S C -1.213 173.617 174.600 0.384 0.000 1.077 106 S CA -0.777 57.480 58.200 0.095 0.000 1.091 106 S CB -0.139 63.211 63.200 0.249 0.000 1.148 106 S HN 0.897 nan 8.310 nan 0.000 0.447 107 I N 5.010 125.722 120.570 0.237 0.000 2.634 107 I HA 0.396 4.566 4.170 0.000 0.000 0.284 107 I C 0.552 176.546 176.117 -0.205 0.000 1.124 107 I CA 0.032 61.434 61.300 0.170 0.000 1.417 107 I CB 1.070 39.153 38.000 0.138 0.000 1.396 107 I HN 0.738 nan 8.210 nan 0.000 0.571 108 S N 6.225 121.597 115.700 -0.545 0.000 2.610 108 S HA 0.394 4.865 4.470 0.000 0.000 0.273 108 S C -1.851 172.491 174.600 -0.430 0.000 1.274 108 S CA -1.111 56.407 58.200 -1.137 0.000 1.023 108 S CB 1.266 63.638 63.200 -1.379 0.000 0.962 108 S HN 0.537 nan 8.310 nan 0.000 0.523 109 P HA -0.123 nan 4.420 nan 0.000 0.218 109 P C 0.314 177.573 177.300 -0.068 0.000 1.146 109 P CA 1.463 64.496 63.100 -0.112 0.000 0.813 109 P CB -0.144 31.506 31.700 -0.084 0.000 0.778 110 D N -3.239 117.114 120.400 -0.079 0.000 2.363 110 D HA 0.185 4.825 4.640 0.000 0.000 0.214 110 D C 1.320 177.610 176.300 -0.017 0.000 1.093 110 D CA 0.122 54.104 54.000 -0.030 0.000 0.837 110 D CB -1.035 39.760 40.800 -0.009 0.000 0.948 110 D HN 0.084 nan 8.370 nan 0.000 0.507 111 G N 0.692 109.475 108.800 -0.029 0.000 2.200 111 G HA2 -0.431 3.529 3.960 0.000 0.000 0.267 111 G HA3 -0.431 3.529 3.960 0.000 0.000 0.267 111 G C 0.920 175.806 174.900 -0.023 0.000 0.993 111 G CA 0.819 45.942 45.100 0.037 0.000 0.701 111 G HN 0.481 nan 8.290 nan 0.000 0.524 112 Q N -1.810 117.926 119.800 -0.106 0.000 2.424 112 Q HA 0.394 4.734 4.340 0.000 0.000 0.204 112 Q C 0.151 175.714 176.000 -0.729 0.000 0.933 112 Q CA 0.547 56.145 55.803 -0.341 0.000 0.929 112 Q CB 0.474 29.076 28.738 -0.227 0.000 1.037 112 Q HN 0.560 nan 8.270 nan 0.000 0.511 113 F N -0.625 119.251 119.950 -0.124 0.000 2.626 113 F HA 0.439 4.966 4.527 0.000 0.000 0.311 113 F C -0.937 174.904 175.800 0.067 0.000 1.088 113 F CA -1.439 56.533 58.000 -0.048 0.000 0.949 113 F CB 1.601 40.572 39.000 -0.049 0.000 1.322 113 F HN -0.233 nan 8.300 nan 0.000 0.461 114 I N 2.850 123.739 120.570 0.531 0.000 2.468 114 I HA 0.494 4.665 4.170 0.000 0.000 0.285 114 I C -1.720 174.767 176.117 0.616 0.000 1.039 114 I CA -0.796 60.844 61.300 0.567 0.000 1.074 114 I CB 1.170 39.535 38.000 0.609 0.000 1.228 114 I HN 0.449 nan 8.210 nan 0.000 0.436 115 L N 8.149 129.791 121.223 0.699 0.000 2.369 115 L HA 0.382 4.722 4.340 0.000 0.000 0.279 115 L C -0.915 176.163 176.870 0.347 0.000 1.108 115 L CA 0.470 55.623 54.840 0.522 0.000 0.852 115 L CB 0.128 42.462 42.059 0.457 0.000 1.169 115 L HN 0.518 nan 8.230 nan 0.000 0.452 116 L N 5.129 126.494 121.223 0.237 0.000 2.307 116 L HA 0.469 4.809 4.340 0.000 0.000 0.282 116 L C 0.014 176.926 176.870 0.068 0.000 1.051 116 L CA -0.410 54.486 54.840 0.094 0.000 0.804 116 L CB 1.520 43.519 42.059 -0.101 0.000 1.197 116 L HN 0.617 nan 8.230 nan 0.000 0.431 117 E N 3.704 123.889 120.200 -0.026 0.000 2.191 117 E HA 0.418 4.768 4.350 0.000 0.000 0.263 117 E C -1.819 174.743 176.600 -0.063 0.000 0.881 117 E CA -0.557 55.665 56.400 -0.298 0.000 0.757 117 E CB 1.501 31.009 29.700 -0.321 0.000 1.147 117 E HN 0.437 nan 8.360 nan 0.000 0.414 118 Y N 2.103 122.202 120.300 -0.335 0.000 2.644 118 Y HA 0.496 5.046 4.550 0.000 0.000 0.338 118 Y C -0.083 175.700 175.900 -0.194 0.000 1.119 118 Y CA -1.684 56.291 58.100 -0.209 0.000 1.060 118 Y CB 0.805 39.140 38.460 -0.209 0.000 1.294 118 Y HN 0.574 nan 8.280 nan 0.000 0.472 119 N N -0.179 118.381 118.700 -0.234 0.000 2.818 119 N HA -0.276 4.464 4.740 0.000 0.000 0.250 119 N C -0.924 174.476 175.510 -0.184 0.000 1.108 119 N CA 0.901 53.772 53.050 -0.297 0.000 0.745 119 N CB -1.558 36.573 38.487 -0.593 0.000 1.104 119 N HN 0.913 nan 8.380 nan 0.000 0.557 120 Y N 0.750 120.919 120.300 -0.217 0.000 2.717 120 Y HA 0.252 4.802 4.550 0.000 0.000 0.330 120 Y C 0.101 175.913 175.900 -0.146 0.000 1.217 120 Y CA 0.305 58.278 58.100 -0.211 0.000 1.506 120 Y CB 0.698 38.979 38.460 -0.299 0.000 1.268 120 Y HN -0.029 nan 8.280 nan 0.000 0.561 121 V N 8.066 127.472 119.914 -0.846 0.000 2.498 121 V HA 0.150 4.270 4.120 0.000 0.000 0.283 121 V C -0.365 175.310 176.094 -0.699 0.000 1.015 121 V CA -1.405 60.528 62.300 -0.611 0.000 0.867 121 V CB 1.209 32.854 31.823 -0.297 0.000 1.025 121 V HN 0.787 nan 8.190 nan 0.000 0.441 122 K N 3.551 123.520 120.400 -0.718 0.000 2.485 122 K HA 0.136 4.456 4.320 0.000 0.000 0.277 122 K C 0.471 176.913 176.600 -0.265 0.000 0.990 122 K CA 0.489 56.573 56.287 -0.339 0.000 0.994 122 K CB 1.172 33.664 32.500 -0.012 0.000 0.906 122 K HN 0.807 nan 8.250 nan 0.000 0.488 123 Q N 3.133 122.761 119.800 -0.286 0.000 2.362 123 Q HA 0.171 4.511 4.340 0.000 0.000 0.190 123 Q C -0.053 175.709 176.000 -0.397 0.000 0.763 123 Q CA -0.410 55.011 55.803 -0.636 0.000 0.681 123 Q CB 0.117 28.283 28.738 -0.953 0.000 2.020 123 Q HN 0.736 nan 8.270 nan 0.000 0.483 124 W N 0.204 121.519 121.300 0.024 0.000 1.945 124 W HA 0.328 4.988 4.660 0.000 0.000 0.606 124 W C 1.740 178.270 176.519 0.018 0.000 1.803 124 W CA -0.576 56.811 57.345 0.069 0.000 1.990 124 W CB -0.037 29.423 29.460 0.001 0.000 2.848 124 W HN 0.324 nan 8.180 nan 0.000 0.771 125 R N -0.489 120.139 120.500 0.214 0.000 2.096 125 R HA -0.147 4.193 4.340 0.000 0.000 0.235 125 R C 1.378 177.542 176.300 -0.227 0.000 1.127 125 R CA 2.294 58.339 56.100 -0.093 0.000 0.968 125 R CB -0.399 29.702 30.300 -0.332 0.000 0.861 125 R HN 0.569 nan 8.270 nan 0.000 0.440 126 H N -1.500 117.679 119.070 0.181 0.000 2.735 126 H HA 0.255 4.811 4.556 0.000 0.000 0.250 126 H C 0.279 175.719 175.328 0.187 0.000 0.948 126 H CA 0.254 56.425 56.048 0.205 0.000 1.137 126 H CB 0.353 30.209 29.762 0.155 0.000 1.440 126 H HN 0.160 nan 8.280 nan 0.000 0.444 127 S N 1.370 117.122 115.700 0.087 0.000 2.560 127 S HA 0.243 4.713 4.470 0.000 0.000 0.284 127 S C -0.414 174.007 174.600 -0.297 0.000 1.327 127 S CA -0.316 57.584 58.200 -0.500 0.000 1.055 127 S CB 0.294 62.728 63.200 -1.277 0.000 0.868 127 S HN 0.475 nan 8.310 nan 0.000 0.506 128 Y N -1.624 118.491 120.300 -0.308 0.000 2.818 128 Y HA 0.763 5.313 4.550 0.000 0.000 0.341 128 Y C -0.783 175.054 175.900 -0.105 0.000 1.283 128 Y CA -0.860 57.082 58.100 -0.264 0.000 1.075 128 Y CB 0.959 39.281 38.460 -0.230 0.000 1.370 128 Y HN 0.789 nan 8.280 nan 0.000 0.448 129 T N 0.597 115.276 114.554 0.209 0.000 2.883 129 T HA 0.958 5.308 4.350 0.000 0.000 0.296 129 T C -1.188 173.635 174.700 0.204 0.000 1.117 129 T CA 0.207 62.420 62.100 0.189 0.000 1.006 129 T CB 1.283 70.169 68.868 0.030 0.000 1.191 129 T HN 1.923 nan 8.240 nan 0.000 0.508 130 A N 1.278 124.209 122.820 0.185 0.000 2.428 130 A HA 0.718 5.038 4.320 0.000 0.000 0.304 130 A C -1.024 176.514 177.584 -0.078 0.000 1.085 130 A CA -0.677 51.353 52.037 -0.013 0.000 0.605 130 A CB 0.562 19.553 19.000 -0.014 0.000 1.393 130 A HN 0.803 nan 8.150 nan 0.000 0.541 131 S N -1.184 114.234 115.700 -0.470 0.000 2.664 131 S HA 0.900 5.370 4.470 0.000 0.000 0.304 131 S C -1.527 172.826 174.600 -0.412 0.000 1.099 131 S CA -0.143 57.761 58.200 -0.494 0.000 1.003 131 S CB 0.900 63.344 63.200 -1.260 0.000 1.092 131 S HN 0.526 nan 8.310 nan 0.000 0.525 132 Y N -0.223 120.061 120.300 -0.027 0.000 2.597 132 Y HA 0.551 5.101 4.550 0.000 0.000 0.340 132 Y C -0.608 175.385 175.900 0.155 0.000 1.097 132 Y CA -0.953 57.205 58.100 0.097 0.000 1.037 132 Y CB 1.787 40.197 38.460 -0.084 0.000 1.305 132 Y HN 0.492 nan 8.280 nan 0.000 0.463 133 D N 1.263 121.838 120.400 0.291 0.000 2.859 133 D HA 0.444 5.084 4.640 0.000 0.000 0.223 133 D C -1.329 175.086 176.300 0.192 0.000 1.218 133 D CA -0.293 53.831 54.000 0.208 0.000 0.850 133 D CB 2.667 43.605 40.800 0.230 0.000 1.656 133 D HN 0.243 nan 8.370 nan 0.000 0.484 134 I N 1.589 122.267 120.570 0.180 0.000 2.392 134 I HA 0.338 4.508 4.170 0.000 0.000 0.295 134 I C -0.397 175.948 176.117 0.380 0.000 0.985 134 I CA -0.703 60.756 61.300 0.264 0.000 1.221 134 I CB 0.511 38.587 38.000 0.126 0.000 1.366 134 I HN 0.329 nan 8.210 nan 0.000 0.467 135 Y N 4.357 124.856 120.300 0.333 0.000 2.361 135 Y HA 0.369 4.919 4.550 0.000 0.000 0.337 135 Y C -0.327 175.760 175.900 0.311 0.000 0.965 135 Y CA -0.883 57.401 58.100 0.308 0.000 1.091 135 Y CB 1.209 39.894 38.460 0.375 0.000 1.182 135 Y HN 0.559 nan 8.280 nan 0.000 0.450 136 D N 6.430 126.683 120.400 -0.245 0.000 2.325 136 D HA 0.137 4.777 4.640 0.000 0.000 0.251 136 D C 0.815 176.659 176.300 -0.761 0.000 1.196 136 D CA 0.264 53.991 54.000 -0.455 0.000 0.866 136 D CB 1.072 41.676 40.800 -0.326 0.000 1.101 136 D HN 0.849 nan 8.370 nan 0.000 0.476 137 L N 2.981 123.886 121.223 -0.531 0.000 2.341 137 L HA 0.004 4.344 4.340 0.000 0.000 0.214 137 L C 1.408 178.050 176.870 -0.381 0.000 1.115 137 L CA 0.323 54.905 54.840 -0.430 0.000 0.820 137 L CB -0.274 41.620 42.059 -0.275 0.000 0.944 137 L HN 0.203 nan 8.230 nan 0.000 0.452 138 N N 0.963 119.432 118.700 -0.385 0.000 2.463 138 N HA -0.083 4.657 4.740 0.000 0.000 0.181 138 N C 1.191 176.548 175.510 -0.255 0.000 1.078 138 N CA 0.641 53.517 53.050 -0.289 0.000 0.902 138 N CB 0.184 38.502 38.487 -0.281 0.000 0.970 138 N HN 0.469 nan 8.380 nan 0.000 0.451 139 K N -0.611 119.604 120.400 -0.307 0.000 2.553 139 K HA 0.291 4.611 4.320 0.000 0.000 0.205 139 K C -0.430 176.007 176.600 -0.271 0.000 1.168 139 K CA -0.437 55.709 56.287 -0.235 0.000 1.043 139 K CB 0.476 32.870 32.500 -0.178 0.000 0.967 139 K HN -0.220 nan 8.250 nan 0.000 0.585 140 R N 1.543 121.791 120.500 -0.421 0.000 3.301 140 R HA -0.210 4.130 4.340 0.000 0.000 0.249 140 R C -1.052 175.096 176.300 -0.253 0.000 0.964 140 R CA 0.892 56.736 56.100 -0.426 0.000 0.653 140 R CB -1.932 28.278 30.300 -0.150 0.000 1.043 140 R HN 0.532 nan 8.270 nan 0.000 0.454 141 Q N 0.400 119.973 119.800 -0.377 0.000 2.292 141 Q HA 0.315 4.655 4.340 0.000 0.000 0.270 141 Q C -0.950 175.108 176.000 0.098 0.000 1.024 141 Q CA -1.099 54.679 55.803 -0.042 0.000 0.768 141 Q CB 2.003 30.714 28.738 -0.045 0.000 1.250 141 Q HN 0.133 nan 8.270 nan 0.000 0.447 142 L N 3.653 125.079 121.223 0.339 0.000 2.499 142 L HA 0.183 4.523 4.340 0.000 0.000 0.273 142 L C -0.573 176.412 176.870 0.192 0.000 1.195 142 L CA 0.625 55.682 54.840 0.361 0.000 0.882 142 L CB 0.362 42.557 42.059 0.225 0.000 1.133 142 L HN 0.566 nan 8.230 nan 0.000 0.483 143 I N 4.236 124.918 120.570 0.187 0.000 2.529 143 I HA 0.081 4.251 4.170 0.000 0.000 0.284 143 I C 0.970 177.142 176.117 0.092 0.000 1.082 143 I CA 0.192 61.565 61.300 0.123 0.000 1.406 143 I CB 0.944 39.008 38.000 0.107 0.000 1.405 143 I HN 0.801 nan 8.210 nan 0.000 0.548 144 T N 0.479 115.072 114.554 0.066 0.000 3.132 144 T HA 0.286 4.636 4.350 0.000 0.000 0.274 144 T C 0.261 174.977 174.700 0.026 0.000 1.011 144 T CA -0.425 61.706 62.100 0.051 0.000 0.899 144 T CB 0.069 68.967 68.868 0.050 0.000 1.089 144 T HN 0.369 nan 8.240 nan 0.000 0.543 145 E N 1.784 121.995 120.200 0.017 0.000 2.227 145 E HA 0.385 4.735 4.350 0.000 0.000 0.268 145 E C -0.073 176.513 176.600 -0.022 0.000 0.907 145 E CA -0.689 55.711 56.400 -0.001 0.000 0.786 145 E CB 0.969 30.674 29.700 0.007 0.000 1.191 145 E HN 0.139 nan 8.360 nan 0.000 0.411 146 E N 1.444 121.621 120.200 -0.037 0.000 2.183 146 E HA -0.218 4.132 4.350 0.000 0.000 0.196 146 E C -0.473 176.069 176.600 -0.097 0.000 1.364 146 E CA 0.565 56.928 56.400 -0.062 0.000 0.700 146 E CB -0.947 28.729 29.700 -0.041 0.000 1.106 146 E HN 0.330 nan 8.360 nan 0.000 0.347 147 R N 0.214 120.651 120.500 -0.104 0.000 2.679 147 R HA 0.211 4.552 4.340 0.000 0.000 0.268 147 R C 1.208 177.358 176.300 -0.251 0.000 1.044 147 R CA -0.285 55.740 56.100 -0.126 0.000 1.105 147 R CB 0.377 30.630 30.300 -0.078 0.000 0.989 147 R HN 0.235 nan 8.270 nan 0.000 0.447 148 I N 4.614 125.006 120.570 -0.297 0.000 2.618 148 I HA 0.008 4.178 4.170 0.000 0.000 0.284 148 I C -1.549 174.273 176.117 -0.492 0.000 1.146 148 I CA -1.513 59.453 61.300 -0.556 0.000 1.425 148 I CB 0.178 37.855 38.000 -0.537 0.000 1.383 148 I HN 0.167 nan 8.210 nan 0.000 0.562 149 P HA -0.054 nan 4.420 nan 0.000 0.269 149 P C -0.675 176.373 177.300 -0.419 0.000 1.205 149 P CA 0.118 62.771 63.100 -0.745 0.000 0.780 149 P CB 0.342 31.169 31.700 -1.455 0.000 0.858 150 N N 2.130 120.651 118.700 -0.297 0.000 2.493 150 N HA 0.099 4.839 4.740 0.000 0.000 0.275 150 N C -0.022 175.503 175.510 0.025 0.000 1.186 150 N CA -0.064 52.904 53.050 -0.136 0.000 0.978 150 N CB -0.129 38.292 38.487 -0.110 0.000 1.184 150 N HN 0.378 nan 8.380 nan 0.000 0.487 151 N N -0.705 118.012 118.700 0.028 0.000 2.738 151 N HA -0.146 4.594 4.740 0.000 0.000 0.249 151 N C -0.947 174.704 175.510 0.234 0.000 1.047 151 N CA 0.718 53.835 53.050 0.111 0.000 0.707 151 N CB -1.912 36.656 38.487 0.134 0.000 0.937 151 N HN 0.457 nan 8.380 nan 0.000 0.545 152 T N 0.543 115.210 114.554 0.188 0.000 2.817 152 T HA 0.187 4.537 4.350 0.000 0.000 0.293 152 T C 1.717 176.532 174.700 0.192 0.000 0.964 152 T CA -0.293 61.919 62.100 0.187 0.000 1.085 152 T CB 1.543 70.407 68.868 -0.007 0.000 0.921 152 T HN 0.179 nan 8.240 nan 0.000 0.502 153 Q N 1.804 121.725 119.800 0.202 0.000 2.137 153 Q HA 0.111 4.451 4.340 0.000 0.000 0.198 153 Q C 0.249 176.440 176.000 0.317 0.000 0.960 153 Q CA 0.707 56.685 55.803 0.292 0.000 0.847 153 Q CB 0.594 29.499 28.738 0.278 0.000 0.915 153 Q HN 0.696 nan 8.270 nan 0.000 0.448 154 W N -0.840 120.421 121.300 -0.065 0.000 3.275 154 W HA 0.509 5.169 4.660 0.000 0.000 0.306 154 W C -2.284 174.130 176.519 -0.175 0.000 1.259 154 W CA -0.718 56.543 57.345 -0.141 0.000 1.194 154 W CB 1.277 30.614 29.460 -0.205 0.000 1.375 154 W HN -0.292 nan 8.180 nan 0.000 0.564 155 V N 4.323 123.511 119.914 -1.209 0.000 2.852 155 V HA 0.629 4.749 4.120 0.000 0.000 0.300 155 V C -0.992 174.547 176.094 -0.925 0.000 1.205 155 V CA 0.120 61.904 62.300 -0.860 0.000 0.940 155 V CB 1.983 33.271 31.823 -0.893 0.000 1.047 155 V HN 0.710 nan 8.190 nan 0.000 0.429 156 T N 2.214 116.504 114.554 -0.439 0.000 2.900 156 T HA 0.676 5.026 4.350 0.000 0.000 0.303 156 T C -0.435 174.255 174.700 -0.017 0.000 1.142 156 T CA -0.554 61.450 62.100 -0.161 0.000 1.007 156 T CB 1.494 70.502 68.868 0.234 0.000 1.156 156 T HN 0.687 nan 8.240 nan 0.000 0.490 157 W N 1.490 122.841 121.300 0.085 0.000 1.693 157 W HA 0.536 5.196 4.660 0.000 0.000 0.496 157 W C 0.876 177.233 176.519 -0.270 0.000 2.119 157 W CA -0.325 57.016 57.345 -0.006 0.000 2.376 157 W CB 0.236 29.686 29.460 -0.017 0.000 1.804 157 W HN 0.896 nan 8.180 nan 0.000 0.805 158 S N 0.619 116.158 115.700 -0.267 0.000 2.578 158 S HA 0.303 4.773 4.470 0.000 0.000 0.301 158 S C -1.808 172.522 174.600 -0.450 0.000 1.091 158 S CA -1.341 56.179 58.200 -1.132 0.000 1.032 158 S CB 1.775 64.268 63.200 -1.178 0.000 1.064 158 S HN 0.268 nan 8.310 nan 0.000 0.508 159 P HA -0.068 nan 4.420 nan 0.000 0.218 159 P C 0.112 177.355 177.300 -0.094 0.000 1.146 159 P CA 0.960 64.001 63.100 -0.099 0.000 0.813 159 P CB 0.018 31.695 31.700 -0.038 0.000 0.778 160 V N -2.589 117.223 119.914 -0.170 0.000 3.160 160 V HA 0.614 4.734 4.120 0.000 0.000 0.310 160 V C 0.997 176.994 176.094 -0.161 0.000 1.181 160 V CA -0.095 62.130 62.300 -0.125 0.000 1.047 160 V CB 0.950 32.714 31.823 -0.099 0.000 1.068 160 V HN 0.381 nan 8.190 nan 0.000 0.441 161 G N 1.306 110.022 108.800 -0.140 0.000 2.583 161 G HA2 -0.257 3.703 3.960 0.000 0.000 0.292 161 G HA3 -0.257 3.703 3.960 0.000 0.000 0.292 161 G C 0.145 174.973 174.900 -0.119 0.000 1.203 161 G CA 0.953 45.930 45.100 -0.205 0.000 0.987 161 G HN 2.128 nan 8.290 nan 0.000 0.554 162 H N -1.194 117.881 119.070 0.008 0.000 3.345 162 H HA 0.478 5.034 4.556 0.000 0.000 0.215 162 H C 0.119 175.621 175.328 0.291 0.000 1.368 162 H CA -0.333 55.778 56.048 0.105 0.000 1.211 162 H CB -0.285 29.558 29.762 0.135 0.000 2.467 162 H HN 0.507 nan 8.280 nan 0.000 0.530 163 K N 1.477 122.049 120.400 0.287 0.000 2.102 163 K HA 0.557 4.877 4.320 0.000 0.000 0.244 163 K C -0.458 176.310 176.600 0.279 0.000 1.021 163 K CA -0.611 55.804 56.287 0.213 0.000 0.913 163 K CB 1.654 34.115 32.500 -0.065 0.000 1.062 163 K HN 0.184 nan 8.250 nan 0.000 0.485 164 L N 0.572 121.947 121.223 0.254 0.000 2.431 164 L HA 0.545 4.885 4.340 0.000 0.000 0.266 164 L C -1.274 175.771 176.870 0.291 0.000 0.978 164 L CA -0.858 54.064 54.840 0.136 0.000 0.822 164 L CB 2.208 44.201 42.059 -0.110 0.000 1.310 164 L HN 0.717 nan 8.230 nan 0.000 0.409 165 A N 2.940 125.912 122.820 0.252 0.000 2.375 165 A HA 0.773 5.093 4.320 0.000 0.000 0.295 165 A C -1.554 176.043 177.584 0.022 0.000 1.066 165 A CA -0.377 51.713 52.037 0.088 0.000 0.722 165 A CB 0.982 19.977 19.000 -0.009 0.000 1.206 165 A HN 0.640 nan 8.150 nan 0.000 0.435 166 Y N -0.172 120.077 120.300 -0.085 0.000 2.576 166 Y HA 0.820 5.370 4.550 0.000 0.000 0.346 166 Y C -1.042 174.837 175.900 -0.035 0.000 1.018 166 Y CA -1.667 56.341 58.100 -0.154 0.000 1.050 166 Y CB 1.456 39.747 38.460 -0.282 0.000 1.280 166 Y HN 0.335 nan 8.280 nan 0.000 0.474 167 V N 2.020 122.027 119.914 0.155 0.000 2.444 167 V HA 0.290 4.410 4.120 0.000 0.000 0.294 167 V C -1.492 174.740 176.094 0.231 0.000 1.022 167 V CA -0.664 61.711 62.300 0.125 0.000 0.850 167 V CB 1.175 33.016 31.823 0.029 0.000 0.992 167 V HN 0.874 nan 8.190 nan 0.000 0.426 168 W N 5.350 126.641 121.300 -0.015 0.000 2.781 168 W HA 0.505 5.165 4.660 0.000 0.000 0.333 168 W C 0.351 176.839 176.519 -0.052 0.000 1.047 168 W CA -0.816 56.480 57.345 -0.081 0.000 1.236 168 W CB 1.157 30.480 29.460 -0.228 0.000 1.394 168 W HN 0.810 nan 8.180 nan 0.000 0.466 169 N N 5.680 124.047 118.700 -0.554 0.000 2.740 169 N HA -0.344 4.396 4.740 0.000 0.000 0.248 169 N C 0.097 175.425 175.510 -0.303 0.000 1.062 169 N CA 0.871 53.562 53.050 -0.599 0.000 0.704 169 N CB -1.269 36.599 38.487 -1.032 0.000 0.968 169 N HN 0.876 nan 8.380 nan 0.000 0.547 170 N N -1.779 116.812 118.700 -0.180 0.000 2.828 170 N HA -0.173 4.567 4.740 0.000 0.000 0.248 170 N C -1.294 174.156 175.510 -0.100 0.000 1.044 170 N CA 1.058 54.024 53.050 -0.139 0.000 0.851 170 N CB -0.298 38.060 38.487 -0.214 0.000 1.136 170 N HN 0.429 nan 8.380 nan 0.000 0.572 171 D N 0.494 120.874 120.400 -0.033 0.000 2.342 171 D HA 0.480 5.120 4.640 0.000 0.000 0.243 171 D C 0.071 176.399 176.300 0.048 0.000 1.019 171 D CA -0.353 53.634 54.000 -0.021 0.000 0.864 171 D CB 1.496 42.322 40.800 0.045 0.000 1.315 171 D HN 0.051 nan 8.370 nan 0.000 0.468 172 I N 2.176 122.594 120.570 -0.253 0.000 2.365 172 I HA 0.238 4.408 4.170 0.000 0.000 0.291 172 I C -0.682 175.174 176.117 -0.434 0.000 1.004 172 I CA -0.452 60.664 61.300 -0.306 0.000 1.311 172 I CB 0.494 38.164 38.000 -0.551 0.000 1.401 172 I HN 0.151 nan 8.210 nan 0.000 0.491 173 Y N 4.303 124.243 120.300 -0.601 0.000 2.545 173 Y HA 0.671 5.222 4.550 0.000 0.000 0.348 173 Y C -0.293 175.259 175.900 -0.579 0.000 1.002 173 Y CA -1.084 56.617 58.100 -0.665 0.000 1.039 173 Y CB 2.014 39.825 38.460 -1.082 0.000 1.271 173 Y HN 0.117 nan 8.280 nan 0.000 0.467 174 V N 2.033 121.893 119.914 -0.091 0.000 2.709 174 V HA 0.513 4.633 4.120 0.000 0.000 0.308 174 V C -0.855 175.394 176.094 0.259 0.000 1.062 174 V CA -1.502 60.837 62.300 0.066 0.000 0.901 174 V CB 2.118 33.974 31.823 0.056 0.000 1.003 174 V HN 0.617 nan 8.190 nan 0.000 0.425 175 K N 3.913 124.465 120.400 0.253 0.000 2.572 175 K HA 0.454 4.774 4.320 0.000 0.000 0.244 175 K C 0.380 177.111 176.600 0.217 0.000 0.965 175 K CA -0.686 55.753 56.287 0.254 0.000 0.943 175 K CB 1.623 34.235 32.500 0.185 0.000 1.154 175 K HN 0.443 nan 8.250 nan 0.000 0.447 176 I N 0.961 121.668 120.570 0.230 0.000 2.208 176 I HA -0.178 3.992 4.170 0.000 0.000 0.245 176 I C 0.650 176.893 176.117 0.209 0.000 1.097 176 I CA 1.758 63.170 61.300 0.188 0.000 1.363 176 I CB -0.211 37.875 38.000 0.144 0.000 1.051 176 I HN 0.551 nan 8.210 nan 0.000 0.413 177 E N -0.783 119.510 120.200 0.155 0.000 2.256 177 E HA 0.271 4.621 4.350 0.000 0.000 0.267 177 E C -1.797 174.766 176.600 -0.062 0.000 0.892 177 E CA -1.948 54.495 56.400 0.071 0.000 0.775 177 E CB 1.878 31.643 29.700 0.108 0.000 1.207 177 E HN -0.134 nan 8.360 nan 0.000 0.420 178 P HA -0.174 nan 4.420 nan 0.000 0.214 178 P C 0.925 178.141 177.300 -0.141 0.000 1.163 178 P CA 1.571 64.473 63.100 -0.330 0.000 0.883 178 P CB 0.251 31.478 31.700 -0.788 0.000 0.788 179 N N -0.457 118.193 118.700 -0.084 0.000 2.381 179 N HA -0.098 4.642 4.740 0.000 0.000 0.182 179 N C 0.592 176.103 175.510 0.002 0.000 1.025 179 N CA 0.827 53.869 53.050 -0.013 0.000 0.888 179 N CB -1.366 37.138 38.487 0.028 0.000 0.965 179 N HN 0.152 nan 8.380 nan 0.000 0.438 180 L N 0.716 121.949 121.223 0.016 0.000 2.475 180 L HA 0.309 4.649 4.340 0.000 0.000 0.253 180 L C -1.729 175.159 176.870 0.030 0.000 1.198 180 L CA -1.917 52.947 54.840 0.040 0.000 0.814 180 L CB 0.345 42.456 42.059 0.087 0.000 1.134 180 L HN 0.071 nan 8.230 nan 0.000 0.478 181 P HA 0.108 nan 4.420 nan 0.000 0.275 181 P C -0.892 176.414 177.300 0.011 0.000 1.266 181 P CA -0.408 62.681 63.100 -0.019 0.000 0.793 181 P CB 0.980 32.635 31.700 -0.074 0.000 1.074 182 S N -0.777 114.935 115.700 0.020 0.000 2.719 182 S HA 0.528 4.998 4.470 0.000 0.000 0.285 182 S C -0.921 173.624 174.600 -0.091 0.000 1.137 182 S CA -0.370 57.900 58.200 0.117 0.000 1.012 182 S CB 0.184 63.541 63.200 0.262 0.000 1.134 182 S HN 0.395 nan 8.310 nan 0.000 0.544 183 Y N -0.402 119.904 120.300 0.011 0.000 2.346 183 Y HA 0.451 5.001 4.550 0.000 0.000 0.332 183 Y C 0.383 176.145 175.900 -0.231 0.000 0.985 183 Y CA -0.768 57.301 58.100 -0.052 0.000 1.112 183 Y CB 1.452 39.895 38.460 -0.029 0.000 1.170 183 Y HN 0.491 nan 8.280 nan 0.000 0.447 184 R N 4.524 124.895 120.500 -0.215 0.000 2.351 184 R HA 0.152 4.492 4.340 0.000 0.000 0.321 184 R C 0.524 176.638 176.300 -0.310 0.000 1.182 184 R CA 0.180 55.900 56.100 -0.632 0.000 1.011 184 R CB 0.199 30.018 30.300 -0.802 0.000 1.048 184 R HN 0.770 nan 8.270 nan 0.000 0.490 185 I N 1.084 121.412 120.570 -0.404 0.000 2.439 185 I HA -0.114 4.056 4.170 0.000 0.000 0.251 185 I C 1.276 177.266 176.117 -0.211 0.000 1.139 185 I CA 1.277 62.430 61.300 -0.245 0.000 1.438 185 I CB -0.706 37.084 38.000 -0.352 0.000 1.085 185 I HN 0.389 nan 8.210 nan 0.000 0.427 186 T N -4.208 110.128 114.554 -0.363 0.000 2.906 186 T HA 0.431 4.781 4.350 0.000 0.000 0.295 186 T C -0.799 173.760 174.700 -0.235 0.000 1.061 186 T CA -0.543 61.438 62.100 -0.199 0.000 1.000 186 T CB 1.923 70.611 68.868 -0.300 0.000 1.103 186 T HN 0.136 nan 8.240 nan 0.000 0.486 187 W N 0.595 121.786 121.300 -0.181 0.000 2.190 187 W HA 0.288 4.949 4.660 0.000 0.000 0.337 187 W C 1.537 178.000 176.519 -0.093 0.000 0.911 187 W CA -0.319 56.951 57.345 -0.125 0.000 1.925 187 W CB 0.224 29.625 29.460 -0.098 0.000 1.134 187 W HN 0.958 nan 8.180 nan 0.000 0.536 188 T N -3.267 111.328 114.554 0.069 0.000 3.023 188 T HA 0.319 4.669 4.350 0.000 0.000 0.253 188 T C 1.212 175.908 174.700 -0.006 0.000 1.038 188 T CA 0.192 62.314 62.100 0.037 0.000 0.962 188 T CB 0.051 68.935 68.868 0.027 0.000 1.018 188 T HN 0.004 nan 8.240 nan 0.000 0.521 189 G N 1.238 110.008 108.800 -0.051 0.000 2.474 189 G HA2 0.371 4.331 3.960 0.000 0.000 0.233 189 G HA3 0.371 4.331 3.960 0.000 0.000 0.233 189 G C -0.610 174.228 174.900 -0.104 0.000 1.278 189 G CA -0.298 44.746 45.100 -0.092 0.000 0.861 189 G HN 0.601 nan 8.290 nan 0.000 0.567 190 K N 1.329 121.643 120.400 -0.142 0.000 2.578 190 K HA 0.088 4.408 4.320 0.000 0.000 0.263 190 K C -0.452 176.028 176.600 -0.200 0.000 0.973 190 K CA -0.608 55.595 56.287 -0.139 0.000 0.909 190 K CB 1.349 33.807 32.500 -0.071 0.000 1.326 190 K HN 0.637 nan 8.250 nan 0.000 0.440 191 E N 2.925 123.009 120.200 -0.193 0.000 2.765 191 E HA -0.156 4.194 4.350 0.000 0.000 0.256 191 E C -0.434 176.085 176.600 -0.135 0.000 0.935 191 E CA 1.272 57.557 56.400 -0.192 0.000 0.954 191 E CB 0.249 29.873 29.700 -0.127 0.000 0.908 191 E HN 0.626 nan 8.360 nan 0.000 0.500 192 D N 2.169 122.477 120.400 -0.153 0.000 3.006 192 D HA -0.250 4.390 4.640 0.000 0.000 0.208 192 D C 0.645 177.042 176.300 0.162 0.000 1.116 192 D CA 1.356 55.407 54.000 0.084 0.000 0.998 192 D CB -0.480 40.387 40.800 0.111 0.000 1.124 192 D HN 0.374 nan 8.370 nan 0.000 0.413 193 I N -0.734 119.853 120.570 0.029 0.000 3.523 193 I HA 0.114 4.285 4.170 0.000 0.000 0.244 193 I C 0.947 177.195 176.117 0.219 0.000 1.110 193 I CA 0.430 61.811 61.300 0.136 0.000 1.517 193 I CB -0.121 37.916 38.000 0.062 0.000 1.505 193 I HN -0.117 nan 8.210 nan 0.000 0.460 194 I N 1.441 122.056 120.570 0.074 0.000 2.378 194 I HA 0.277 4.447 4.170 0.000 0.000 0.291 194 I C -1.153 175.007 176.117 0.073 0.000 0.992 194 I CA -0.722 60.675 61.300 0.161 0.000 1.154 194 I CB 0.984 39.034 38.000 0.083 0.000 1.315 194 I HN 0.032 nan 8.210 nan 0.000 0.448 195 Y N 4.615 125.001 120.300 0.143 0.000 2.341 195 Y HA 0.429 4.979 4.550 0.000 0.000 0.338 195 Y C 0.357 176.310 175.900 0.087 0.000 0.965 195 Y CA -0.893 57.289 58.100 0.138 0.000 1.108 195 Y CB 1.288 39.905 38.460 0.261 0.000 1.180 195 Y HN 0.397 nan 8.280 nan 0.000 0.458 196 N N 2.297 121.065 118.700 0.112 0.000 2.569 196 N HA 0.381 5.121 4.740 0.000 0.000 0.254 196 N C 0.632 176.085 175.510 -0.096 0.000 1.004 196 N CA 0.356 53.406 53.050 0.000 0.000 0.904 196 N CB 1.713 40.114 38.487 -0.144 0.000 1.165 196 N HN 0.994 nan 8.380 nan 0.000 0.513 197 G N 1.537 110.319 108.800 -0.030 0.000 2.194 197 G HA2 -0.218 3.742 3.960 0.000 0.000 0.236 197 G HA3 -0.218 3.742 3.960 0.000 0.000 0.236 197 G C 0.073 174.832 174.900 -0.235 0.000 0.987 197 G CA 0.275 45.283 45.100 -0.153 0.000 0.635 197 G HN 0.587 nan 8.290 nan 0.000 0.520 198 I N -0.903 119.590 120.570 -0.128 0.000 2.828 198 I HA 0.812 4.982 4.170 0.000 0.000 0.302 198 I C 0.387 176.527 176.117 0.038 0.000 1.101 198 I CA -0.630 60.484 61.300 -0.309 0.000 1.031 198 I CB 1.962 39.605 38.000 -0.595 0.000 1.231 198 I HN 0.159 nan 8.210 nan 0.000 0.427 199 T N -0.344 114.163 114.554 -0.078 0.000 2.874 199 T HA 0.397 4.747 4.350 0.000 0.000 0.281 199 T C -0.349 174.264 174.700 -0.144 0.000 0.994 199 T CA -0.652 61.363 62.100 -0.142 0.000 1.015 199 T CB 1.298 70.126 68.868 -0.068 0.000 1.028 199 T HN 0.768 nan 8.240 nan 0.000 0.523 200 D N -0.546 119.544 120.400 -0.517 0.000 2.385 200 D HA 0.078 4.718 4.640 0.000 0.000 0.254 200 D C 0.874 177.145 176.300 -0.048 0.000 1.053 200 D CA -1.223 52.463 54.000 -0.524 0.000 0.992 200 D CB 0.488 40.781 40.800 -0.845 0.000 1.145 200 D HN 0.720 nan 8.370 nan 0.000 0.523 201 W N 1.275 122.575 121.300 0.000 0.000 2.262 201 W HA -0.329 4.331 4.660 0.000 0.000 0.331 201 W C 2.015 178.421 176.519 -0.189 0.000 1.315 201 W CA 3.022 60.307 57.345 -0.100 0.000 1.302 201 W CB -0.430 28.886 29.460 -0.240 0.000 1.128 201 W HN 0.269 nan 8.180 nan 0.000 0.482 202 V N -0.638 119.312 119.914 0.059 0.000 2.548 202 V HA -0.264 3.856 4.120 0.000 0.000 0.249 202 V C 1.774 177.670 176.094 -0.330 0.000 1.055 202 V CA 1.984 64.194 62.300 -0.151 0.000 1.065 202 V CB -0.664 31.100 31.823 -0.098 0.000 0.681 202 V HN 0.300 nan 8.190 nan 0.000 0.462 203 Y N 0.411 120.512 120.300 -0.331 0.000 2.373 203 Y HA -0.092 4.458 4.550 0.000 0.000 0.293 203 Y C 2.558 178.361 175.900 -0.161 0.000 1.129 203 Y CA 1.832 59.751 58.100 -0.303 0.000 1.226 203 Y CB 0.034 38.200 38.460 -0.490 0.000 1.000 203 Y HN 0.350 nan 8.280 nan 0.000 0.549 204 E N 0.385 120.551 120.200 -0.055 0.000 2.028 204 E HA -0.268 4.082 4.350 0.000 0.000 0.191 204 E C 1.920 178.481 176.600 -0.065 0.000 0.988 204 E CA 1.517 57.918 56.400 0.001 0.000 0.799 204 E CB 0.079 29.800 29.700 0.035 0.000 0.755 204 E HN 0.417 nan 8.360 nan 0.000 0.447 205 E N 0.055 120.027 120.200 -0.380 0.000 2.076 205 E HA -0.137 4.213 4.350 0.000 0.000 0.190 205 E C 1.795 178.265 176.600 -0.217 0.000 0.979 205 E CA 1.283 57.448 56.400 -0.392 0.000 0.807 205 E CB 0.175 29.285 29.700 -0.983 0.000 0.761 205 E HN 0.171 nan 8.360 nan 0.000 0.454 206 E N -0.281 119.756 120.200 -0.272 0.000 2.162 206 E HA -0.002 4.348 4.350 0.000 0.000 0.193 206 E C 2.134 178.590 176.600 -0.241 0.000 0.953 206 E CA 1.130 57.418 56.400 -0.187 0.000 0.849 206 E CB -0.175 29.401 29.700 -0.207 0.000 0.810 206 E HN 0.305 nan 8.360 nan 0.000 0.470 207 V N -0.864 118.824 119.914 -0.376 0.000 2.521 207 V HA 0.026 4.146 4.120 0.000 0.000 0.239 207 V C 1.673 177.532 176.094 -0.392 0.000 1.053 207 V CA 0.881 62.892 62.300 -0.483 0.000 1.073 207 V CB -0.349 30.993 31.823 -0.802 0.000 0.746 207 V HN 0.009 nan 8.190 nan 0.000 0.476 208 F N 1.381 121.331 119.950 -0.001 0.000 2.530 208 F HA 0.416 4.943 4.527 0.000 0.000 0.292 208 F C 1.641 177.402 175.800 -0.066 0.000 1.109 208 F CA 0.610 58.625 58.000 0.025 0.000 1.450 208 F CB -0.495 38.563 39.000 0.096 0.000 1.114 208 F HN 0.221 nan 8.300 nan 0.000 0.560 209 S N 0.436 116.166 115.700 0.049 0.000 3.711 209 S HA 0.098 4.568 4.470 0.000 0.000 0.374 209 S C -0.090 174.086 174.600 -0.707 0.000 0.969 209 S CA 0.313 58.421 58.200 -0.154 0.000 1.198 209 S CB -1.833 61.341 63.200 -0.044 0.000 0.903 209 S HN 0.753 nan 8.310 nan 0.000 0.493 210 A N -0.309 122.279 122.820 -0.387 0.000 2.590 210 A HA 0.633 4.953 4.320 0.000 0.000 0.294 210 A C -0.368 177.164 177.584 -0.087 0.000 1.046 210 A CA -0.462 51.368 52.037 -0.344 0.000 0.684 210 A CB 0.167 18.986 19.000 -0.300 0.000 1.279 210 A HN 0.474 nan 8.150 nan 0.000 0.415 211 Y N 1.647 121.789 120.300 -0.263 0.000 2.420 211 Y HA 0.185 4.735 4.550 0.000 0.000 0.292 211 Y C 1.603 177.211 175.900 -0.486 0.000 1.119 211 Y CA 1.290 59.252 58.100 -0.230 0.000 1.229 211 Y CB 0.026 38.416 38.460 -0.116 0.000 1.026 211 Y HN 0.763 nan 8.280 nan 0.000 0.554 212 S N 0.383 115.470 115.700 -1.022 0.000 2.568 212 S HA 0.433 4.903 4.470 0.000 0.000 0.282 212 S C 0.275 174.312 174.600 -0.938 0.000 1.338 212 S CA 0.187 57.534 58.200 -1.421 0.000 1.045 212 S CB 0.507 62.472 63.200 -2.058 0.000 0.873 212 S HN 0.452 nan 8.310 nan 0.000 0.516 213 A N 3.778 126.050 122.820 -0.913 0.000 2.897 213 A HA 0.499 4.819 4.320 0.000 0.000 0.230 213 A C -1.034 175.838 177.584 -1.188 0.000 0.896 213 A CA -0.603 50.893 52.037 -0.901 0.000 1.114 213 A CB -0.333 18.579 19.000 -0.147 0.000 1.230 213 A HN 0.903 nan 8.150 nan 0.000 0.481 214 L N -4.317 115.965 121.223 -1.567 0.000 2.455 214 L HA 0.862 5.202 4.340 0.000 0.000 0.264 214 L C -1.243 175.098 176.870 -0.883 0.000 0.968 214 L CA -1.338 52.999 54.840 -0.838 0.000 0.827 214 L CB 0.921 42.742 42.059 -0.397 0.000 1.317 214 L HN 0.245 nan 8.230 nan 0.000 0.407 215 W N 1.781 123.116 121.300 0.060 0.000 2.587 215 W HA 0.355 5.015 4.660 0.000 0.000 0.324 215 W C -1.222 175.504 176.519 0.345 0.000 1.008 215 W CA -0.749 56.750 57.345 0.256 0.000 1.265 215 W CB 1.544 31.221 29.460 0.363 0.000 1.328 215 W HN 0.615 nan 8.180 nan 0.000 0.432 216 W N 2.143 123.625 121.300 0.305 0.000 2.150 216 W HA 0.190 4.850 4.660 0.000 0.000 0.341 216 W C 1.125 177.437 176.519 -0.346 0.000 1.276 216 W CA 0.302 57.692 57.345 0.075 0.000 1.238 216 W CB 0.812 30.298 29.460 0.043 0.000 1.128 216 W HN 0.161 nan 8.180 nan 0.000 0.581 217 S N 2.988 118.464 115.700 -0.374 0.000 2.565 217 S HA 0.173 4.643 4.470 0.000 0.000 0.274 217 S C -1.398 172.926 174.600 -0.461 0.000 1.309 217 S CA -1.229 56.171 58.200 -1.332 0.000 1.043 217 S CB 1.307 63.881 63.200 -1.044 0.000 0.939 217 S HN 0.390 nan 8.310 nan 0.000 0.504 218 P HA -0.237 nan 4.420 nan 0.000 0.218 218 P C 0.877 178.136 177.300 -0.067 0.000 1.147 218 P CA 1.594 64.641 63.100 -0.088 0.000 0.827 218 P CB 0.000 31.703 31.700 0.003 0.000 0.778 219 N N -1.010 117.641 118.700 -0.082 0.000 2.109 219 N HA -0.006 4.734 4.740 0.000 0.000 0.188 219 N C 1.525 176.988 175.510 -0.079 0.000 1.034 219 N CA 2.374 55.395 53.050 -0.049 0.000 0.846 219 N CB -0.360 38.119 38.487 -0.013 0.000 1.010 219 N HN 0.232 nan 8.380 nan 0.000 0.425 220 G N -2.215 106.557 108.800 -0.048 0.000 2.336 220 G HA2 -0.251 3.709 3.960 0.000 0.000 0.194 220 G HA3 -0.251 3.709 3.960 0.000 0.000 0.194 220 G C 1.032 176.016 174.900 0.140 0.000 0.999 220 G CA 0.852 45.917 45.100 -0.057 0.000 0.669 220 G HN 0.510 nan 8.290 nan 0.000 0.482 221 T N -1.459 113.101 114.554 0.008 0.000 2.995 221 T HA 0.382 4.732 4.350 0.000 0.000 0.269 221 T C 0.668 175.240 174.700 -0.214 0.000 1.091 221 T CA 0.809 62.827 62.100 -0.138 0.000 1.128 221 T CB -0.143 68.525 68.868 -0.334 0.000 0.891 221 T HN 0.253 nan 8.240 nan 0.000 0.492 222 F N 1.169 121.190 119.950 0.118 0.000 2.469 222 F HA 0.644 5.171 4.527 0.000 0.000 0.332 222 F C -0.177 175.686 175.800 0.107 0.000 1.103 222 F CA -1.979 56.096 58.000 0.125 0.000 0.979 222 F CB 1.999 41.094 39.000 0.158 0.000 1.137 222 F HN -0.033 nan 8.300 nan 0.000 0.463 223 L N 4.152 125.522 121.223 0.246 0.000 2.442 223 L HA 0.694 5.034 4.340 0.000 0.000 0.261 223 L C -0.989 175.963 176.870 0.136 0.000 1.000 223 L CA -0.319 54.460 54.840 -0.103 0.000 0.882 223 L CB 0.494 42.184 42.059 -0.616 0.000 1.207 223 L HN 0.690 nan 8.230 nan 0.000 0.443 224 A N 5.366 128.360 122.820 0.290 0.000 2.304 224 A HA 0.711 5.031 4.320 0.000 0.000 0.301 224 A C -1.197 176.466 177.584 0.132 0.000 1.132 224 A CA -0.290 51.767 52.037 0.033 0.000 0.819 224 A CB 0.652 19.652 19.000 0.000 0.000 1.094 224 A HN 0.774 nan 8.150 nan 0.000 0.492 225 Y N -1.429 118.678 120.300 -0.320 0.000 2.597 225 Y HA 0.763 5.313 4.550 0.000 0.000 0.340 225 Y C -0.245 175.539 175.900 -0.193 0.000 1.097 225 Y CA -0.905 57.153 58.100 -0.070 0.000 1.037 225 Y CB 0.879 39.251 38.460 -0.147 0.000 1.305 225 Y HN 0.885 nan 8.280 nan 0.000 0.463 226 A N 2.062 125.035 122.820 0.254 0.000 2.281 226 A HA 0.711 5.031 4.320 0.000 0.000 0.329 226 A C -1.123 176.411 177.584 -0.083 0.000 1.122 226 A CA -0.846 51.184 52.037 -0.011 0.000 0.850 226 A CB 1.652 20.630 19.000 -0.036 0.000 1.207 226 A HN 0.829 nan 8.150 nan 0.000 0.495 227 Q N 0.649 120.283 119.800 -0.277 0.000 2.274 227 Q HA 0.572 4.912 4.340 0.000 0.000 0.268 227 Q C -2.108 173.661 176.000 -0.386 0.000 1.015 227 Q CA -0.336 55.394 55.803 -0.120 0.000 0.775 227 Q CB 1.049 29.947 28.738 0.267 0.000 1.256 227 Q HN 0.588 nan 8.270 nan 0.000 0.442 228 F N 2.026 122.071 119.950 0.159 0.000 2.450 228 F HA 0.472 4.999 4.527 0.000 0.000 0.332 228 F C 0.455 176.377 175.800 0.203 0.000 1.093 228 F CA -0.855 57.201 58.000 0.093 0.000 1.003 228 F CB 1.416 40.366 39.000 -0.084 0.000 1.151 228 F HN 0.419 nan 8.300 nan 0.000 0.474 229 N N 1.706 120.615 118.700 0.348 0.000 2.491 229 N HA 0.222 4.962 4.740 0.000 0.000 0.274 229 N C -0.978 174.694 175.510 0.270 0.000 1.023 229 N CA -0.264 52.961 53.050 0.290 0.000 0.902 229 N CB 1.241 39.851 38.487 0.205 0.000 1.267 229 N HN 0.580 nan 8.380 nan 0.000 0.503 230 D N 0.891 121.473 120.400 0.302 0.000 2.395 230 D HA 0.106 4.746 4.640 0.000 0.000 0.213 230 D C 1.288 177.705 176.300 0.196 0.000 1.110 230 D CA 0.160 54.312 54.000 0.254 0.000 0.835 230 D CB 0.571 41.560 40.800 0.314 0.000 0.965 230 D HN 0.445 nan 8.370 nan 0.000 0.505 231 T N 0.696 115.352 114.554 0.170 0.000 2.718 231 T HA -0.242 4.108 4.350 0.000 0.000 0.266 231 T C 1.208 175.969 174.700 0.102 0.000 1.033 231 T CA 1.421 63.595 62.100 0.123 0.000 1.151 231 T CB -0.078 68.851 68.868 0.102 0.000 0.853 231 T HN 0.395 nan 8.240 nan 0.000 0.466 232 E N 0.017 120.279 120.200 0.104 0.000 2.538 232 E HA 0.181 4.531 4.350 0.000 0.000 0.207 232 E C -0.357 176.298 176.600 0.091 0.000 1.002 232 E CA -0.149 56.302 56.400 0.085 0.000 0.952 232 E CB 0.733 30.477 29.700 0.072 0.000 1.031 232 E HN 0.228 nan 8.360 nan 0.000 0.476 233 V N 4.012 123.994 119.914 0.113 0.000 2.470 233 V HA 0.093 4.213 4.120 0.000 0.000 0.276 233 V C -2.035 174.122 176.094 0.106 0.000 1.040 233 V CA -1.382 60.989 62.300 0.118 0.000 1.008 233 V CB 0.178 32.087 31.823 0.144 0.000 0.990 233 V HN 0.000 nan 8.190 nan 0.000 0.477 234 P HA 0.107 nan 4.420 nan 0.000 0.267 234 P C -0.615 176.730 177.300 0.075 0.000 1.201 234 P CA 0.077 63.221 63.100 0.073 0.000 0.775 234 P CB 0.445 32.186 31.700 0.069 0.000 0.854 235 L N 2.865 124.110 121.223 0.036 0.000 2.309 235 L HA 0.429 4.769 4.340 0.000 0.000 0.282 235 L C 0.201 177.033 176.870 -0.062 0.000 1.036 235 L CA -0.757 54.090 54.840 0.010 0.000 0.806 235 L CB 1.054 43.115 42.059 0.002 0.000 1.220 235 L HN 0.301 nan 8.230 nan 0.000 0.429 236 I N 3.107 123.599 120.570 -0.130 0.000 2.331 236 I HA 0.322 4.492 4.170 0.000 0.000 0.292 236 I C -0.294 175.691 176.117 -0.220 0.000 0.998 236 I CA -0.110 61.008 61.300 -0.305 0.000 1.267 236 I CB 1.210 38.778 38.000 -0.721 0.000 1.386 236 I HN 0.714 nan 8.210 nan 0.000 0.476 237 E N 7.936 128.025 120.200 -0.185 0.000 2.212 237 E HA 0.579 4.930 4.350 0.000 0.000 0.268 237 E C -1.716 174.846 176.600 -0.062 0.000 0.902 237 E CA -0.559 55.741 56.400 -0.167 0.000 0.779 237 E CB 2.427 32.045 29.700 -0.137 0.000 1.172 237 E HN 0.516 nan 8.360 nan 0.000 0.409 238 Y N -2.122 118.083 120.300 -0.159 0.000 2.604 238 Y HA 0.460 5.010 4.550 0.000 0.000 0.331 238 Y C -0.941 174.876 175.900 -0.139 0.000 1.158 238 Y CA -1.233 56.775 58.100 -0.153 0.000 1.056 238 Y CB 0.629 38.996 38.460 -0.154 0.000 1.330 238 Y HN 0.265 nan 8.280 nan 0.000 0.457 239 S N 2.034 117.707 115.700 -0.045 0.000 2.592 239 S HA 0.541 5.011 4.470 0.000 0.000 0.271 239 S C -1.393 173.038 174.600 -0.282 0.000 1.326 239 S CA -0.347 57.685 58.200 -0.281 0.000 1.024 239 S CB 0.610 63.498 63.200 -0.520 0.000 0.921 239 S HN 0.572 nan 8.310 nan 0.000 0.527 240 F N 1.947 121.602 119.950 -0.491 0.000 2.579 240 F HA 0.413 4.940 4.527 0.000 0.000 0.325 240 F C -0.375 175.170 175.800 -0.425 0.000 1.162 240 F CA -0.897 56.924 58.000 -0.299 0.000 0.946 240 F CB 0.722 39.664 39.000 -0.095 0.000 1.211 240 F HN 0.640 nan 8.300 nan 0.000 0.447 241 Y N 2.907 122.984 120.300 -0.371 0.000 2.395 241 Y HA 0.099 4.649 4.550 0.000 0.000 0.293 241 Y C 1.717 177.548 175.900 -0.115 0.000 1.123 241 Y CA 1.144 59.130 58.100 -0.191 0.000 1.227 241 Y CB -0.612 37.730 38.460 -0.196 0.000 1.012 241 Y HN 0.740 nan 8.280 nan 0.000 0.552 242 S N -0.235 115.354 115.700 -0.186 0.000 3.585 242 S HA -0.226 4.244 4.470 0.000 0.000 0.638 242 S C -0.464 174.194 174.600 0.097 0.000 2.340 242 S CA 0.110 58.422 58.200 0.187 0.000 2.517 242 S CB -0.991 62.416 63.200 0.345 0.000 0.329 242 S HN 0.471 nan 8.310 nan 0.000 1.795 243 D N 1.469 121.944 120.400 0.126 0.000 2.400 243 D HA 0.107 4.747 4.640 0.000 0.000 0.238 243 D C 1.462 177.795 176.300 0.055 0.000 1.157 243 D CA 0.483 54.529 54.000 0.076 0.000 0.889 243 D CB 0.280 41.124 40.800 0.074 0.000 1.199 243 D HN 0.620 nan 8.370 nan 0.000 0.436 244 E N 0.731 120.951 120.200 0.032 0.000 2.164 244 E HA -0.292 4.058 4.350 0.000 0.000 0.206 244 E C 1.619 178.229 176.600 0.018 0.000 1.032 244 E CA 1.888 58.297 56.400 0.016 0.000 0.832 244 E CB 0.056 29.759 29.700 0.005 0.000 0.742 244 E HN 0.481 nan 8.360 nan 0.000 0.460 245 S N 0.019 115.734 115.700 0.024 0.000 2.537 245 S HA -0.101 4.369 4.470 0.000 0.000 0.240 245 S C 1.058 175.676 174.600 0.031 0.000 0.981 245 S CA 0.134 58.347 58.200 0.022 0.000 0.948 245 S CB -0.190 63.025 63.200 0.025 0.000 0.759 245 S HN 0.250 nan 8.310 nan 0.000 0.531 246 L N 2.230 123.481 121.223 0.047 0.000 2.385 246 L HA 0.176 4.516 4.340 0.000 0.000 0.281 246 L C 1.566 178.461 176.870 0.040 0.000 1.106 246 L CA -0.113 54.765 54.840 0.064 0.000 0.856 246 L CB 1.008 43.126 42.059 0.097 0.000 1.186 246 L HN 0.426 nan 8.230 nan 0.000 0.453 247 Q N 4.242 124.056 119.800 0.023 0.000 2.016 247 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 247 Q C -0.509 175.407 176.000 -0.140 0.000 0.978 247 Q CA 1.488 57.243 55.803 -0.080 0.000 0.833 247 Q CB 0.134 28.802 28.738 -0.117 0.000 0.895 247 Q HN 0.579 nan 8.270 nan 0.000 0.427 248 Y N 0.661 120.973 120.300 0.021 0.000 2.341 248 Y HA 0.382 4.932 4.550 0.000 0.000 0.337 248 Y C -2.026 173.885 175.900 0.017 0.000 1.014 248 Y CA -2.862 55.248 58.100 0.016 0.000 1.111 248 Y CB 1.298 39.759 38.460 0.001 0.000 1.194 248 Y HN 0.181 nan 8.280 nan 0.000 0.462 249 P HA 0.067 nan 4.420 nan 0.000 0.271 249 P C -0.812 176.495 177.300 0.013 0.000 1.218 249 P CA -0.514 62.616 63.100 0.049 0.000 0.780 249 P CB 0.679 32.371 31.700 -0.014 0.000 0.901 250 K N 1.358 121.748 120.400 -0.016 0.000 2.156 250 K HA 0.341 4.661 4.320 0.000 0.000 0.271 250 K C -0.751 175.795 176.600 -0.090 0.000 0.995 250 K CA -0.306 55.967 56.287 -0.023 0.000 0.890 250 K CB 0.649 33.162 32.500 0.021 0.000 1.073 250 K HN 0.341 nan 8.250 nan 0.000 0.454 251 T N 2.999 117.484 114.554 -0.115 0.000 2.733 251 T HA 0.191 4.541 4.350 0.000 0.000 0.294 251 T C -0.462 174.104 174.700 -0.224 0.000 0.956 251 T CA -0.544 61.452 62.100 -0.174 0.000 0.987 251 T CB 1.015 69.799 68.868 -0.139 0.000 0.920 251 T HN 0.263 nan 8.240 nan 0.000 0.470 252 V N 6.019 125.700 119.914 -0.390 0.000 2.408 252 V HA 0.315 4.435 4.120 0.000 0.000 0.267 252 V C 0.521 176.363 176.094 -0.420 0.000 1.047 252 V CA -0.424 61.605 62.300 -0.452 0.000 0.937 252 V CB 0.411 31.777 31.823 -0.762 0.000 0.999 252 V HN 0.700 nan 8.190 nan 0.000 0.472 253 R N 4.029 124.410 120.500 -0.198 0.000 2.338 253 R HA 0.741 5.081 4.340 0.000 0.000 0.317 253 R C -1.381 174.910 176.300 -0.015 0.000 0.968 253 R CA -0.565 55.464 56.100 -0.119 0.000 0.849 253 R CB 1.990 32.246 30.300 -0.073 0.000 1.128 253 R HN 0.500 nan 8.270 nan 0.000 0.448 254 V N 4.171 124.082 119.914 -0.006 0.000 2.638 254 V HA 0.303 4.423 4.120 0.000 0.000 0.306 254 V C -2.416 173.737 176.094 0.098 0.000 1.052 254 V CA -2.443 59.911 62.300 0.090 0.000 0.885 254 V CB 2.279 34.132 31.823 0.051 0.000 0.999 254 V HN 0.633 nan 8.190 nan 0.000 0.424 255 P HA 0.164 nan 4.420 nan 0.000 0.268 255 P C -1.392 176.016 177.300 0.181 0.000 1.282 255 P CA 0.334 63.546 63.100 0.186 0.000 0.880 255 P CB -0.319 31.535 31.700 0.258 0.000 0.971 256 Y N 6.812 127.093 120.300 -0.032 0.000 2.331 256 Y HA 0.447 4.997 4.550 0.000 0.000 0.326 256 Y C -2.789 173.087 175.900 -0.040 0.000 1.020 256 Y CA -3.193 54.836 58.100 -0.119 0.000 1.136 256 Y CB 1.817 40.076 38.460 -0.334 0.000 1.157 256 Y HN 0.253 nan 8.280 nan 0.000 0.444 257 P HA 0.308 nan 4.420 nan 0.000 0.293 257 P C -1.098 176.317 177.300 0.192 0.000 1.313 257 P CA -0.356 62.831 63.100 0.144 0.000 0.787 257 P CB 1.869 33.617 31.700 0.080 0.000 0.910 258 K N 1.830 122.386 120.400 0.260 0.000 2.148 258 K HA 0.568 4.888 4.320 0.000 0.000 0.239 258 K C 0.417 177.136 176.600 0.199 0.000 1.018 258 K CA -0.828 55.622 56.287 0.271 0.000 0.923 258 K CB 0.682 33.330 32.500 0.248 0.000 1.117 258 K HN 0.468 nan 8.250 nan 0.000 0.477 259 A N 0.641 123.604 122.820 0.238 0.000 2.591 259 A HA 0.230 4.550 4.320 0.000 0.000 0.244 259 A C 1.217 178.852 177.584 0.085 0.000 1.031 259 A CA 1.155 53.316 52.037 0.206 0.000 0.767 259 A CB -1.307 17.886 19.000 0.322 0.000 0.942 259 A HN 0.914 nan 8.150 nan 0.000 0.514 260 G N 1.042 109.881 108.800 0.065 0.000 2.212 260 G HA2 0.061 4.021 3.960 0.000 0.000 0.266 260 G HA3 0.061 4.021 3.960 0.000 0.000 0.266 260 G C 0.787 175.708 174.900 0.036 0.000 0.978 260 G CA 1.006 46.117 45.100 0.018 0.000 0.632 260 G HN 2.238 nan 8.290 nan 0.000 0.537 261 A N -0.518 122.341 122.820 0.066 0.000 2.292 261 A HA 0.655 4.975 4.320 0.000 0.000 0.265 261 A C 0.899 178.523 177.584 0.066 0.000 1.133 261 A CA 0.453 52.532 52.037 0.070 0.000 0.807 261 A CB 0.463 19.521 19.000 0.098 0.000 1.102 261 A HN 1.114 nan 8.150 nan 0.000 0.502 262 V N 2.490 122.444 119.914 0.067 0.000 2.403 262 V HA 0.025 4.145 4.120 0.000 0.000 0.265 262 V C 0.284 176.429 176.094 0.086 0.000 1.034 262 V CA -0.038 62.302 62.300 0.066 0.000 1.036 262 V CB -0.577 31.284 31.823 0.064 0.000 1.032 262 V HN 0.776 nan 8.190 nan 0.000 0.478 263 N N 7.396 126.146 118.700 0.084 0.000 2.467 263 N HA 0.372 5.112 4.740 0.000 0.000 0.262 263 N C -2.207 173.388 175.510 0.141 0.000 1.234 263 N CA -1.239 51.882 53.050 0.118 0.000 0.952 263 N CB 0.735 39.288 38.487 0.110 0.000 1.158 263 N HN 0.384 nan 8.380 nan 0.000 0.463 264 P HA 0.124 nan 4.420 nan 0.000 0.274 264 P C -0.474 176.977 177.300 0.252 0.000 1.237 264 P CA -0.211 63.036 63.100 0.245 0.000 0.793 264 P CB 0.543 32.426 31.700 0.306 0.000 0.977 265 T N -1.934 112.752 114.554 0.220 0.000 2.893 265 T HA 0.658 5.008 4.350 0.000 0.000 0.279 265 T C -0.106 174.725 174.700 0.218 0.000 0.991 265 T CA -0.853 61.339 62.100 0.153 0.000 0.950 265 T CB 1.177 70.105 68.868 0.100 0.000 1.223 265 T HN 0.456 nan 8.240 nan 0.000 0.585 266 V N -0.308 119.691 119.914 0.142 0.000 3.036 266 V HA 0.586 4.706 4.120 0.000 0.000 0.288 266 V C -2.035 174.123 176.094 0.106 0.000 1.407 266 V CA -0.853 61.504 62.300 0.095 0.000 0.983 266 V CB 2.139 34.052 31.823 0.151 0.000 1.128 266 V HN 1.070 nan 8.190 nan 0.000 0.439 267 K N 4.386 124.803 120.400 0.027 0.000 2.443 267 K HA 0.663 4.983 4.320 0.000 0.000 0.251 267 K C -1.797 174.708 176.600 -0.158 0.000 0.972 267 K CA -0.568 55.693 56.287 -0.044 0.000 0.833 267 K CB 2.797 35.271 32.500 -0.042 0.000 1.317 267 K HN 0.495 nan 8.250 nan 0.000 0.441 268 F N 1.407 120.991 119.950 -0.611 0.000 2.538 268 F HA 0.622 5.149 4.527 0.000 0.000 0.325 268 F C -1.295 173.796 175.800 -1.182 0.000 1.066 268 F CA -0.769 56.848 58.000 -0.638 0.000 0.946 268 F CB 0.992 39.776 39.000 -0.360 0.000 1.199 268 F HN 0.394 nan 8.300 nan 0.000 0.473 269 F N 2.379 121.639 119.950 -1.149 0.000 2.645 269 F HA 0.710 5.237 4.527 0.000 0.000 0.310 269 F C -1.172 174.011 175.800 -1.027 0.000 1.102 269 F CA -1.184 56.240 58.000 -0.960 0.000 0.952 269 F CB 2.032 40.358 39.000 -1.123 0.000 1.326 269 F HN 0.165 nan 8.300 nan 0.000 0.456 270 V N 2.348 122.075 119.914 -0.312 0.000 2.668 270 V HA 0.663 4.783 4.120 0.000 0.000 0.304 270 V C -1.125 175.085 176.094 0.194 0.000 1.071 270 V CA -0.752 61.449 62.300 -0.165 0.000 0.894 270 V CB 1.693 33.207 31.823 -0.515 0.000 1.008 270 V HN 0.687 nan 8.190 nan 0.000 0.425 271 V N 3.540 123.627 119.914 0.290 0.000 3.046 271 V HA 0.590 4.710 4.120 0.000 0.000 0.316 271 V C -0.389 175.898 176.094 0.322 0.000 1.104 271 V CA -0.766 61.713 62.300 0.298 0.000 1.006 271 V CB 2.347 34.289 31.823 0.199 0.000 1.058 271 V HN 1.012 nan 8.190 nan 0.000 0.440 272 N N 1.478 120.288 118.700 0.183 0.000 2.527 272 N HA 0.226 4.966 4.740 0.000 0.000 0.236 272 N C 0.859 176.327 175.510 -0.070 0.000 0.999 272 N CA 0.221 53.252 53.050 -0.031 0.000 0.935 272 N CB 1.122 39.566 38.487 -0.072 0.000 1.132 272 N HN 0.871 nan 8.380 nan 0.000 0.511 273 T N -0.195 114.320 114.554 -0.065 0.000 3.228 273 T HA -0.013 4.337 4.350 0.000 0.000 0.261 273 T C 0.449 175.090 174.700 -0.098 0.000 1.171 273 T CA 0.559 62.629 62.100 -0.049 0.000 1.056 273 T CB 0.044 68.994 68.868 0.137 0.000 0.938 273 T HN 0.419 nan 8.240 nan 0.000 0.539 274 D N 1.131 121.455 120.400 -0.126 0.000 2.431 274 D HA 0.114 4.754 4.640 0.000 0.000 0.235 274 D C 1.503 177.745 176.300 -0.098 0.000 0.980 274 D CA 0.442 54.375 54.000 -0.113 0.000 0.912 274 D CB -0.012 40.712 40.800 -0.127 0.000 1.056 274 D HN 0.355 nan 8.370 nan 0.000 0.494 275 S N 0.932 116.581 115.700 -0.085 0.000 2.803 275 S HA 0.149 4.619 4.470 0.000 0.000 0.228 275 S C 1.753 176.325 174.600 -0.046 0.000 0.953 275 S CA -0.046 58.130 58.200 -0.039 0.000 0.983 275 S CB -0.087 63.112 63.200 -0.002 0.000 0.784 275 S HN 0.169 nan 8.310 nan 0.000 0.498 276 L N 0.660 121.799 121.223 -0.141 0.000 2.051 276 L HA 0.103 4.443 4.340 0.000 0.000 0.202 276 L C 1.599 178.435 176.870 -0.057 0.000 1.097 276 L CA 0.200 54.893 54.840 -0.245 0.000 0.762 276 L CB -0.845 40.743 42.059 -0.784 0.000 0.913 276 L HN 0.277 nan 8.230 nan 0.000 0.447 277 S N 0.149 115.788 115.700 -0.102 0.000 4.212 277 S HA -0.132 4.338 4.470 0.000 0.000 0.377 277 S C -0.013 174.730 174.600 0.238 0.000 0.564 277 S CA 0.571 58.900 58.200 0.214 0.000 1.469 277 S CB -0.476 62.787 63.200 0.106 0.000 1.665 277 S HN 0.484 nan 8.310 nan 0.000 0.397 278 S N 2.414 118.324 115.700 0.349 0.000 2.862 278 S HA 0.564 5.034 4.470 0.000 0.000 0.300 278 S C 0.011 174.690 174.600 0.131 0.000 1.240 278 S CA -0.012 58.302 58.200 0.190 0.000 1.025 278 S CB 0.856 64.151 63.200 0.158 0.000 1.340 278 S HN 1.202 nan 8.310 nan 0.000 0.544 279 V N 0.800 120.769 119.914 0.091 0.000 3.368 279 V HA 0.368 4.488 4.120 0.000 0.000 0.255 279 V C 0.457 176.588 176.094 0.062 0.000 1.466 279 V CA 1.239 63.573 62.300 0.056 0.000 1.095 279 V CB 0.448 32.295 31.823 0.039 0.000 0.899 279 V HN 0.854 nan 8.190 nan 0.000 0.440 280 T N 2.612 117.205 114.554 0.065 0.000 2.860 280 T HA 0.216 4.566 4.350 0.000 0.000 0.299 280 T C 0.008 174.749 174.700 0.069 0.000 1.045 280 T CA -0.043 62.084 62.100 0.044 0.000 1.071 280 T CB 0.230 69.121 68.868 0.039 0.000 0.985 280 T HN 0.406 nan 8.240 nan 0.000 0.537 281 N N 1.324 120.034 118.700 0.018 0.000 2.518 281 N HA 0.320 5.060 4.740 0.000 0.000 0.266 281 N C 0.012 175.564 175.510 0.071 0.000 1.196 281 N CA -0.221 52.852 53.050 0.037 0.000 0.947 281 N CB 0.649 39.066 38.487 -0.116 0.000 1.098 281 N HN 0.777 nan 8.380 nan 0.000 0.450 282 A N 1.814 124.705 122.820 0.118 0.000 2.511 282 A HA 0.183 4.503 4.320 0.000 0.000 0.242 282 A C 0.338 177.971 177.584 0.081 0.000 1.069 282 A CA 0.115 52.212 52.037 0.100 0.000 0.763 282 A CB -0.089 18.968 19.000 0.095 0.000 1.001 282 A HN 0.546 nan 8.150 nan 0.000 0.498 283 T N 2.695 117.304 114.554 0.090 0.000 2.780 283 T HA 0.417 4.767 4.350 0.000 0.000 0.294 283 T C 0.132 174.917 174.700 0.142 0.000 0.949 283 T CA 0.148 62.309 62.100 0.103 0.000 1.074 283 T CB 0.590 69.525 68.868 0.111 0.000 0.910 283 T HN 0.523 nan 8.240 nan 0.000 0.501 284 S N 4.015 119.802 115.700 0.145 0.000 2.594 284 S HA 0.394 4.864 4.470 0.000 0.000 0.322 284 S C 0.152 174.920 174.600 0.280 0.000 1.085 284 S CA -0.821 57.498 58.200 0.199 0.000 1.116 284 S CB 0.288 63.559 63.200 0.119 0.000 0.979 284 S HN 0.474 nan 8.310 nan 0.000 0.465 285 I N 3.097 123.843 120.570 0.295 0.000 2.634 285 I HA 0.234 4.404 4.170 0.000 0.000 0.284 285 I C 0.666 176.913 176.117 0.217 0.000 1.124 285 I CA 0.073 61.548 61.300 0.291 0.000 1.417 285 I CB 0.313 38.560 38.000 0.412 0.000 1.396 285 I HN 0.630 nan 8.210 nan 0.000 0.571 286 Q N 5.364 125.237 119.800 0.121 0.000 2.309 286 Q HA 0.597 4.937 4.340 0.000 0.000 0.264 286 Q C -1.298 174.637 176.000 -0.109 0.000 1.008 286 Q CA -0.714 54.985 55.803 -0.173 0.000 0.853 286 Q CB 2.034 30.641 28.738 -0.220 0.000 1.314 286 Q HN 0.547 nan 8.270 nan 0.000 0.448 287 I N 3.567 124.044 120.570 -0.154 0.000 2.382 287 I HA 0.220 4.390 4.170 0.000 0.000 0.285 287 I C 0.755 176.842 176.117 -0.049 0.000 1.007 287 I CA -0.408 60.874 61.300 -0.029 0.000 1.142 287 I CB 1.537 39.557 38.000 0.033 0.000 1.289 287 I HN 0.757 nan 8.210 nan 0.000 0.453 288 T N 3.149 117.647 114.554 -0.093 0.000 3.440 288 T HA 0.733 5.083 4.350 0.000 0.000 0.308 288 T C 1.092 175.606 174.700 -0.310 0.000 1.249 288 T CA 0.245 62.240 62.100 -0.175 0.000 0.903 288 T CB 0.399 69.179 68.868 -0.147 0.000 2.240 288 T HN 0.763 nan 8.240 nan 0.000 0.546 289 A N 1.295 123.896 122.820 -0.365 0.000 5.900 289 A HA -0.075 4.245 4.320 0.000 0.000 0.602 289 A C -2.167 174.895 177.584 -0.869 0.000 1.731 289 A CA 0.577 52.328 52.037 -0.477 0.000 1.919 289 A CB -2.756 16.071 19.000 -0.288 0.000 1.470 289 A HN 0.846 nan 8.150 nan 0.000 0.703 290 P HA 0.366 nan 4.420 nan 0.000 0.270 290 P C 0.815 177.905 177.300 -0.350 0.000 1.223 290 P CA 0.722 63.587 63.100 -0.392 0.000 0.785 290 P CB 0.430 31.964 31.700 -0.277 0.000 0.923 291 A N 1.734 124.426 122.820 -0.214 0.000 2.070 291 A HA -0.156 4.164 4.320 0.000 0.000 0.220 291 A C 1.926 179.423 177.584 -0.145 0.000 1.159 291 A CA 2.056 53.993 52.037 -0.167 0.000 0.656 291 A CB -1.520 17.415 19.000 -0.108 0.000 0.800 291 A HN 0.599 nan 8.150 nan 0.000 0.453 292 S N -2.323 113.305 115.700 -0.120 0.000 2.527 292 S HA 0.072 4.542 4.470 0.000 0.000 0.222 292 S C 1.532 176.093 174.600 -0.066 0.000 0.985 292 S CA 1.255 59.437 58.200 -0.030 0.000 0.921 292 S CB -0.096 63.165 63.200 0.101 0.000 0.772 292 S HN 0.329 nan 8.310 nan 0.000 0.529 293 M N 0.958 120.403 119.600 -0.260 0.000 2.657 293 M HA 0.502 4.982 4.480 0.000 0.000 0.262 293 M C 1.522 177.492 176.300 -0.551 0.000 1.213 293 M CA 0.823 55.859 55.300 -0.441 0.000 1.182 293 M CB -0.401 31.740 32.600 -0.765 0.000 1.303 293 M HN 0.232 nan 8.290 nan 0.000 0.501 294 L N -0.547 120.393 121.223 -0.472 0.000 2.376 294 L HA -0.088 4.252 4.340 0.000 0.000 0.219 294 L C 2.197 179.004 176.870 -0.105 0.000 1.133 294 L CA 0.552 55.233 54.840 -0.264 0.000 0.816 294 L CB -0.683 41.243 42.059 -0.222 0.000 0.933 294 L HN 0.307 nan 8.230 nan 0.000 0.449 295 I N -0.325 120.182 120.570 -0.106 0.000 2.423 295 I HA -0.144 4.027 4.170 0.000 0.000 0.254 295 I C 1.116 177.220 176.117 -0.022 0.000 1.151 295 I CA 1.130 62.396 61.300 -0.057 0.000 1.421 295 I CB 0.078 38.044 38.000 -0.057 0.000 1.079 295 I HN 0.269 nan 8.210 nan 0.000 0.431 296 G N -0.893 107.910 108.800 0.005 0.000 2.782 296 G HA2 0.232 4.192 3.960 0.000 0.000 0.304 296 G HA3 0.232 4.192 3.960 0.000 0.000 0.304 296 G C -1.626 173.337 174.900 0.105 0.000 1.315 296 G CA -0.549 44.571 45.100 0.033 0.000 0.791 296 G HN -0.003 nan 8.290 nan 0.000 0.519 297 D N 0.789 121.207 120.400 0.031 0.000 2.400 297 D HA 0.456 5.096 4.640 0.000 0.000 0.238 297 D C 0.511 176.792 176.300 -0.033 0.000 1.157 297 D CA 0.882 54.852 54.000 -0.050 0.000 0.889 297 D CB 0.388 41.115 40.800 -0.121 0.000 1.199 297 D HN 0.588 nan 8.370 nan 0.000 0.436 298 H N -1.580 117.337 119.070 -0.255 0.000 2.887 298 H HA 0.350 4.906 4.556 0.000 0.000 0.290 298 H C -1.512 173.655 175.328 -0.268 0.000 1.429 298 H CA -0.790 55.092 56.048 -0.276 0.000 1.137 298 H CB 0.095 29.829 29.762 -0.045 0.000 1.824 298 H HN 0.388 nan 8.280 nan 0.000 0.520 299 Y N -0.068 120.448 120.300 0.360 0.000 2.588 299 Y HA 0.465 5.015 4.550 0.000 0.000 0.343 299 Y C -0.575 175.636 175.900 0.519 0.000 1.065 299 Y CA -1.133 57.200 58.100 0.389 0.000 1.038 299 Y CB 1.943 40.475 38.460 0.121 0.000 1.297 299 Y HN 0.526 nan 8.280 nan 0.000 0.467 300 L N 2.634 124.246 121.223 0.648 0.000 2.264 300 L HA 0.478 4.818 4.340 0.000 0.000 0.289 300 L C 0.334 177.233 176.870 0.048 0.000 1.044 300 L CA -0.218 54.648 54.840 0.044 0.000 0.807 300 L CB 0.588 42.611 42.059 -0.061 0.000 1.192 300 L HN 1.005 nan 8.230 nan 0.000 0.425 301 C N 1.268 120.452 119.300 -0.193 0.000 3.403 301 C HA 0.501 4.961 4.460 0.000 0.000 0.317 301 C C 0.214 175.052 174.990 -0.254 0.000 1.346 301 C CA -0.305 58.515 59.018 -0.330 0.000 1.743 301 C CB -0.610 27.003 27.740 -0.212 0.000 2.308 301 C HN 0.853 nan 8.230 nan 0.000 0.675 302 D N 0.115 120.398 120.400 -0.195 0.000 2.803 302 D HA 0.452 5.092 4.640 0.000 0.000 0.218 302 D C -1.891 174.177 176.300 -0.387 0.000 1.245 302 D CA 0.066 53.990 54.000 -0.127 0.000 0.821 302 D CB 2.803 43.511 40.800 -0.152 0.000 1.626 302 D HN 0.045 nan 8.370 nan 0.000 0.487 303 V N 2.467 122.131 119.914 -0.416 0.000 2.488 303 V HA 0.484 4.604 4.120 0.000 0.000 0.293 303 V C -0.335 175.482 176.094 -0.462 0.000 1.027 303 V CA -0.502 61.350 62.300 -0.748 0.000 0.862 303 V CB 1.581 32.490 31.823 -1.523 0.000 1.008 303 V HN 0.700 nan 8.190 nan 0.000 0.428 304 T N 0.668 114.991 114.554 -0.385 0.000 3.011 304 T HA 0.538 4.888 4.350 0.000 0.000 0.303 304 T C -0.896 173.670 174.700 -0.223 0.000 0.997 304 T CA -0.505 61.501 62.100 -0.156 0.000 1.007 304 T CB 0.776 69.610 68.868 -0.056 0.000 1.017 304 T HN 0.379 nan 8.240 nan 0.000 0.443 305 W N 2.291 123.511 121.300 -0.133 0.000 2.137 305 W HA 0.536 5.197 4.660 0.000 0.000 0.344 305 W C 1.216 177.564 176.519 -0.286 0.000 1.286 305 W CA 0.228 57.477 57.345 -0.160 0.000 1.240 305 W CB 0.740 30.197 29.460 -0.005 0.000 1.141 305 W HN 0.944 nan 8.180 nan 0.000 0.579 306 A N 0.814 123.551 122.820 -0.137 0.000 2.026 306 A HA 0.272 4.593 4.320 0.000 0.000 0.198 306 A C 0.710 178.299 177.584 0.009 0.000 1.390 306 A CA 1.300 53.105 52.037 -0.387 0.000 0.915 306 A CB -0.251 18.177 19.000 -0.953 0.000 0.974 306 A HN 0.535 nan 8.150 nan 0.000 0.477 307 T N -5.263 109.382 114.554 0.151 0.000 2.587 307 T HA 0.324 4.674 4.350 0.000 0.000 0.282 307 T C 0.075 174.945 174.700 0.284 0.000 1.018 307 T CA -0.231 61.986 62.100 0.195 0.000 1.120 307 T CB 0.500 69.472 68.868 0.174 0.000 1.538 307 T HN -0.087 nan 8.240 nan 0.000 0.480 308 Q N 0.477 120.424 119.800 0.244 0.000 2.269 308 Q HA 0.135 4.475 4.340 0.000 0.000 0.201 308 Q C 1.049 177.316 176.000 0.446 0.000 0.946 308 Q CA 1.089 57.051 55.803 0.265 0.000 0.877 308 Q CB 0.136 28.993 28.738 0.197 0.000 0.963 308 Q HN 0.817 nan 8.270 nan 0.000 0.472 309 E N 0.347 120.784 120.200 0.395 0.000 2.624 309 E HA 0.216 4.566 4.350 0.000 0.000 0.210 309 E C 0.109 176.963 176.600 0.422 0.000 0.997 309 E CA -0.164 56.468 56.400 0.387 0.000 0.999 309 E CB 1.148 31.013 29.700 0.276 0.000 1.040 309 E HN 0.001 nan 8.360 nan 0.000 0.469 310 R N 1.409 122.178 120.500 0.447 0.000 2.628 310 R HA 0.586 4.926 4.340 0.000 0.000 0.288 310 R C -1.647 174.695 176.300 0.069 0.000 0.980 310 R CA -0.551 55.705 56.100 0.261 0.000 0.891 310 R CB 1.887 32.244 30.300 0.096 0.000 1.188 310 R HN 0.092 nan 8.270 nan 0.000 0.450 311 I N 2.354 122.780 120.570 -0.239 0.000 2.656 311 I HA 0.307 4.477 4.170 0.000 0.000 0.292 311 I C -1.015 174.768 176.117 -0.558 0.000 1.144 311 I CA -0.404 60.471 61.300 -0.708 0.000 1.038 311 I CB 2.312 39.420 38.000 -1.486 0.000 1.244 311 I HN 0.779 nan 8.210 nan 0.000 0.420 312 S N 7.348 122.708 115.700 -0.567 0.000 2.475 312 S HA 0.789 5.259 4.470 0.000 0.000 0.298 312 S C -1.081 173.202 174.600 -0.530 0.000 1.119 312 S CA -0.689 57.267 58.200 -0.408 0.000 1.085 312 S CB 1.847 64.920 63.200 -0.211 0.000 1.028 312 S HN 0.427 nan 8.310 nan 0.000 0.489 313 L N 2.162 123.078 121.223 -0.510 0.000 2.386 313 L HA 0.542 4.882 4.340 0.000 0.000 0.271 313 L C -0.322 176.204 176.870 -0.574 0.000 0.993 313 L CA -0.157 54.248 54.840 -0.724 0.000 0.819 313 L CB 2.018 43.515 42.059 -0.935 0.000 1.294 313 L HN 0.834 nan 8.230 nan 0.000 0.414 314 Q N 2.126 121.541 119.800 -0.643 0.000 2.333 314 Q HA 0.436 4.776 4.340 0.000 0.000 0.268 314 Q C -1.681 174.022 176.000 -0.496 0.000 1.007 314 Q CA -0.458 55.097 55.803 -0.412 0.000 0.810 314 Q CB 1.881 30.455 28.738 -0.273 0.000 1.264 314 Q HN 0.501 nan 8.270 nan 0.000 0.452 315 W N 2.629 123.860 121.300 -0.114 0.000 2.570 315 W HA 0.600 5.260 4.660 0.000 0.000 0.337 315 W C -0.750 175.765 176.519 -0.006 0.000 1.067 315 W CA -0.656 56.667 57.345 -0.036 0.000 1.229 315 W CB 0.942 30.362 29.460 -0.066 0.000 1.355 315 W HN 0.368 nan 8.180 nan 0.000 0.555 316 L N 2.693 124.126 121.223 0.350 0.000 2.365 316 L HA 0.570 4.910 4.340 0.000 0.000 0.273 316 L C -0.088 176.959 176.870 0.294 0.000 1.000 316 L CA -1.191 53.810 54.840 0.269 0.000 0.819 316 L CB 1.336 43.554 42.059 0.265 0.000 1.284 316 L HN 0.398 nan 8.230 nan 0.000 0.418 317 R N 2.347 122.977 120.500 0.217 0.000 2.560 317 R HA 0.326 4.666 4.340 0.000 0.000 0.270 317 R C 0.958 177.299 176.300 0.069 0.000 1.074 317 R CA -0.740 55.453 56.100 0.155 0.000 1.140 317 R CB 0.637 31.049 30.300 0.188 0.000 1.073 317 R HN 0.555 nan 8.270 nan 0.000 0.527 318 R N 0.936 121.390 120.500 -0.078 0.000 2.117 318 R HA -0.073 4.267 4.340 0.000 0.000 0.243 318 R C 0.596 176.931 176.300 0.059 0.000 1.143 318 R CA 1.299 57.320 56.100 -0.132 0.000 0.968 318 R CB -0.030 30.195 30.300 -0.125 0.000 0.863 318 R HN 0.425 nan 8.270 nan 0.000 0.444 319 I N 2.792 123.401 120.570 0.064 0.000 2.256 319 I HA 0.057 4.227 4.170 0.000 0.000 0.294 319 I C 0.353 176.536 176.117 0.111 0.000 1.127 319 I CA -0.033 61.311 61.300 0.074 0.000 1.247 319 I CB 0.597 38.630 38.000 0.055 0.000 1.460 319 I HN 0.053 nan 8.210 nan 0.000 0.511 320 Q N 4.395 124.264 119.800 0.115 0.000 2.185 320 Q HA -0.092 4.248 4.340 0.000 0.000 0.179 320 Q C 1.139 177.221 176.000 0.137 0.000 0.810 320 Q CA 0.172 56.053 55.803 0.129 0.000 1.021 320 Q CB -0.379 28.403 28.738 0.074 0.000 1.244 320 Q HN 0.607 nan 8.270 nan 0.000 0.404 321 N N -0.799 117.986 118.700 0.142 0.000 2.171 321 N HA -0.059 4.681 4.740 0.000 0.000 0.212 321 N C -0.848 174.774 175.510 0.187 0.000 1.184 321 N CA -0.120 53.005 53.050 0.126 0.000 0.888 321 N CB 0.553 39.091 38.487 0.085 0.000 1.038 321 N HN 0.208 nan 8.380 nan 0.000 0.517 322 Y N 1.909 122.236 120.300 0.045 0.000 2.442 322 Y HA 0.559 5.109 4.550 0.000 0.000 0.344 322 Y C -1.076 174.862 175.900 0.064 0.000 0.976 322 Y CA -1.068 57.057 58.100 0.042 0.000 1.040 322 Y CB 1.816 40.292 38.460 0.027 0.000 1.228 322 Y HN 0.156 nan 8.280 nan 0.000 0.451 323 S N 4.466 119.930 115.700 -0.394 0.000 2.533 323 S HA 0.813 5.283 4.470 0.000 0.000 0.271 323 S C -2.243 172.161 174.600 -0.326 0.000 1.143 323 S CA -0.747 57.306 58.200 -0.245 0.000 0.891 323 S CB 1.185 64.344 63.200 -0.068 0.000 1.105 323 S HN 0.511 nan 8.310 nan 0.000 0.468 324 V N 3.887 123.698 119.914 -0.171 0.000 2.628 324 V HA 0.600 4.720 4.120 0.000 0.000 0.306 324 V C -0.230 175.876 176.094 0.020 0.000 1.045 324 V CA -0.732 61.511 62.300 -0.095 0.000 0.905 324 V CB 1.908 33.685 31.823 -0.076 0.000 0.997 324 V HN 0.988 nan 8.190 nan 0.000 0.436 325 M N 3.386 123.001 119.600 0.025 0.000 2.066 325 M HA 0.436 4.916 4.480 0.000 0.000 0.340 325 M C -1.369 174.970 176.300 0.064 0.000 1.053 325 M CA -0.305 55.001 55.300 0.009 0.000 0.983 325 M CB 0.987 33.586 32.600 -0.001 0.000 1.520 325 M HN 0.682 nan 8.290 nan 0.000 0.428 326 D N 4.800 125.219 120.400 0.031 0.000 2.373 326 D HA 0.379 5.019 4.640 0.000 0.000 0.227 326 D C -0.796 175.497 176.300 -0.011 0.000 1.091 326 D CA -0.179 53.845 54.000 0.041 0.000 0.840 326 D CB 0.762 41.614 40.800 0.087 0.000 1.060 326 D HN 0.416 nan 8.370 nan 0.000 0.502 327 I N 3.625 124.228 120.570 0.055 0.000 2.301 327 I HA 0.159 4.329 4.170 0.000 0.000 0.292 327 I C -0.334 175.802 176.117 0.031 0.000 1.046 327 I CA -0.137 61.189 61.300 0.044 0.000 1.282 327 I CB 0.398 38.497 38.000 0.166 0.000 1.409 327 I HN 0.352 nan 8.210 nan 0.000 0.484 328 c N 4.658 123.248 118.600 -0.016 0.000 2.295 328 c HA 0.461 5.031 4.570 0.000 0.000 0.331 328 c C 0.024 174.239 174.090 0.208 0.000 1.280 328 c CA -0.855 55.519 56.329 0.076 0.000 1.746 328 c CB 0.057 42.594 42.510 0.046 0.000 2.328 328 c HN 0.646 nan 8.230 nan 0.000 0.521 329 D N 0.886 121.410 120.400 0.207 0.000 2.168 329 D HA 0.351 4.991 4.640 0.000 0.000 0.246 329 D C -0.394 175.942 176.300 0.061 0.000 1.050 329 D CA -0.218 53.891 54.000 0.183 0.000 0.857 329 D CB 0.706 41.553 40.800 0.078 0.000 1.169 329 D HN 0.578 nan 8.370 nan 0.000 0.453 330 Y N 1.581 121.636 120.300 -0.407 0.000 2.457 330 Y HA 0.244 4.794 4.550 0.000 0.000 0.341 330 Y C -0.331 175.276 175.900 -0.488 0.000 1.240 330 Y CA -0.220 57.222 58.100 -1.097 0.000 1.437 330 Y CB 0.853 38.413 38.460 -1.500 0.000 1.328 330 Y HN 0.318 nan 8.280 nan 0.000 0.588 331 D N 3.401 122.893 120.400 -1.513 0.000 2.421 331 D HA 0.203 4.843 4.640 0.000 0.000 0.254 331 D C -0.091 175.515 176.300 -1.156 0.000 1.238 331 D CA -0.342 53.072 54.000 -0.976 0.000 0.919 331 D CB 0.778 41.283 40.800 -0.492 0.000 1.152 331 D HN 0.697 nan 8.370 nan 0.000 0.552 332 E N 1.260 120.970 120.200 -0.816 0.000 2.204 332 E HA -0.185 4.165 4.350 0.000 0.000 0.195 332 E C 1.795 178.281 176.600 -0.190 0.000 0.990 332 E CA 1.105 57.301 56.400 -0.340 0.000 0.821 332 E CB 0.054 29.721 29.700 -0.055 0.000 0.750 332 E HN 0.578 nan 8.360 nan 0.000 0.477 333 S N 1.361 116.940 115.700 -0.202 0.000 2.351 333 S HA -0.195 4.275 4.470 0.000 0.000 0.220 333 S C 2.120 176.663 174.600 -0.094 0.000 1.035 333 S CA 1.641 59.772 58.200 -0.115 0.000 1.031 333 S CB -0.419 62.717 63.200 -0.106 0.000 0.928 333 S HN 0.285 nan 8.310 nan 0.000 0.433 334 S N -0.546 115.075 115.700 -0.131 0.000 2.554 334 S HA 0.526 4.996 4.470 0.000 0.000 0.226 334 S C 1.484 176.059 174.600 -0.042 0.000 0.980 334 S CA 0.432 58.590 58.200 -0.070 0.000 0.939 334 S CB -0.209 62.957 63.200 -0.058 0.000 0.832 334 S HN 1.587 nan 8.310 nan 0.000 0.486 335 G N 2.027 110.772 108.800 -0.091 0.000 2.200 335 G HA2 -0.292 3.668 3.960 0.000 0.000 0.268 335 G HA3 -0.292 3.668 3.960 0.000 0.000 0.268 335 G C 0.303 175.314 174.900 0.185 0.000 0.986 335 G CA 0.546 45.717 45.100 0.118 0.000 0.677 335 G HN 0.542 nan 8.290 nan 0.000 0.532 336 R N -1.511 118.973 120.500 -0.028 0.000 2.608 336 R HA 0.632 4.972 4.340 0.000 0.000 0.255 336 R C -0.585 175.673 176.300 -0.069 0.000 1.086 336 R CA -0.641 55.503 56.100 0.073 0.000 1.125 336 R CB 0.517 30.848 30.300 0.052 0.000 1.193 336 R HN 0.203 nan 8.270 nan 0.000 0.553 337 W N 0.222 121.572 121.300 0.082 0.000 2.656 337 W HA 0.372 5.032 4.660 0.000 0.000 0.327 337 W C -0.382 176.137 176.519 -0.000 0.000 1.041 337 W CA -0.410 56.969 57.345 0.056 0.000 1.229 337 W CB 1.151 30.640 29.460 0.048 0.000 1.397 337 W HN 0.467 nan 8.180 nan 0.000 0.479 338 N N 1.415 120.217 118.700 0.169 0.000 2.362 338 N HA 0.707 5.447 4.740 0.000 0.000 0.299 338 N C -1.604 173.962 175.510 0.092 0.000 1.170 338 N CA -0.664 52.440 53.050 0.090 0.000 0.825 338 N CB 1.525 40.024 38.487 0.020 0.000 1.299 338 N HN 0.184 nan 8.380 nan 0.000 0.502 339 c N 1.616 120.247 118.600 0.052 0.000 2.801 339 c HA 0.333 4.903 4.570 0.000 0.000 0.296 339 c C -0.156 173.945 174.090 0.018 0.000 1.054 339 c CA -0.997 55.355 56.329 0.039 0.000 1.442 339 c CB -0.902 41.623 42.510 0.025 0.000 1.860 339 c HN 0.584 nan 8.230 nan 0.000 0.459 340 L N 2.442 123.678 121.223 0.021 0.000 2.597 340 L HA 0.028 4.368 4.340 0.000 0.000 0.271 340 L C 1.715 178.586 176.870 0.001 0.000 1.157 340 L CA 0.361 55.206 54.840 0.008 0.000 0.928 340 L CB 0.578 42.642 42.059 0.010 0.000 1.216 340 L HN 0.642 nan 8.230 nan 0.000 0.481 341 V N 4.750 124.656 119.914 -0.013 0.000 2.527 341 V HA -0.341 3.779 4.120 0.000 0.000 0.255 341 V C 2.322 178.397 176.094 -0.032 0.000 1.081 341 V CA 2.250 64.535 62.300 -0.024 0.000 1.092 341 V CB -0.102 31.703 31.823 -0.031 0.000 0.673 341 V HN 0.990 nan 8.190 nan 0.000 0.470 342 A N -0.902 121.903 122.820 -0.026 0.000 2.225 342 A HA -0.131 4.189 4.320 0.000 0.000 0.215 342 A C 2.237 179.795 177.584 -0.044 0.000 1.164 342 A CA 1.487 53.503 52.037 -0.036 0.000 0.710 342 A CB -0.446 18.540 19.000 -0.023 0.000 0.780 342 A HN 0.617 nan 8.150 nan 0.000 0.473 343 R N -1.062 119.424 120.500 -0.023 0.000 2.476 343 R HA 0.131 4.471 4.340 0.000 0.000 0.276 343 R C -0.096 176.193 176.300 -0.019 0.000 0.941 343 R CA -0.152 55.951 56.100 0.006 0.000 1.088 343 R CB 0.289 30.644 30.300 0.093 0.000 1.216 343 R HN 0.631 nan 8.270 nan 0.000 0.533 344 Q N 0.232 119.999 119.800 -0.055 0.000 2.392 344 Q HA 0.036 4.376 4.340 0.000 0.000 0.262 344 Q C -0.863 175.025 176.000 -0.186 0.000 1.003 344 Q CA 0.712 56.498 55.803 -0.028 0.000 0.888 344 Q CB 0.655 29.377 28.738 -0.026 0.000 1.260 344 Q HN 0.160 nan 8.270 nan 0.000 0.435 345 H N 0.699 119.811 119.070 0.071 0.000 2.727 345 H HA 0.325 4.881 4.556 0.000 0.000 0.330 345 H C -1.029 174.322 175.328 0.037 0.000 0.986 345 H CA -0.548 55.566 56.048 0.109 0.000 1.251 345 H CB 0.659 30.566 29.762 0.242 0.000 1.493 345 H HN 0.369 nan 8.280 nan 0.000 0.515 346 I N 2.032 122.646 120.570 0.074 0.000 2.532 346 I HA 0.164 4.334 4.170 0.000 0.000 0.292 346 I C 0.383 176.516 176.117 0.025 0.000 1.014 346 I CA -0.030 61.252 61.300 -0.031 0.000 1.340 346 I CB 0.903 38.894 38.000 -0.015 0.000 1.422 346 I HN 0.596 nan 8.210 nan 0.000 0.528 347 E N 6.998 127.165 120.200 -0.055 0.000 2.460 347 E HA 0.388 4.738 4.350 0.000 0.000 0.249 347 E C -1.265 175.339 176.600 0.006 0.000 0.962 347 E CA -0.472 55.938 56.400 0.017 0.000 0.787 347 E CB 1.033 30.748 29.700 0.026 0.000 1.341 347 E HN 0.635 nan 8.360 nan 0.000 0.407 348 M N 0.644 120.290 119.600 0.077 0.000 2.724 348 M HA 0.666 5.146 4.480 0.000 0.000 0.310 348 M C -0.726 175.620 176.300 0.075 0.000 1.217 348 M CA -0.844 54.536 55.300 0.133 0.000 0.894 348 M CB 2.232 34.998 32.600 0.278 0.000 1.719 348 M HN 0.180 nan 8.290 nan 0.000 0.479 349 S N 0.034 115.766 115.700 0.053 0.000 2.677 349 S HA 0.429 4.899 4.470 0.000 0.000 0.283 349 S C 0.269 174.854 174.600 -0.024 0.000 1.159 349 S CA -0.224 57.971 58.200 -0.009 0.000 1.001 349 S CB 1.357 64.509 63.200 -0.081 0.000 1.032 349 S HN 0.882 nan 8.310 nan 0.000 0.487 350 T N 0.497 115.039 114.554 -0.021 0.000 3.081 350 T HA 0.048 4.398 4.350 0.000 0.000 0.250 350 T C 1.508 176.180 174.700 -0.046 0.000 1.100 350 T CA 0.885 62.972 62.100 -0.022 0.000 1.038 350 T CB -0.326 68.538 68.868 -0.007 0.000 0.962 350 T HN 0.680 nan 8.240 nan 0.000 0.516 351 T N -2.406 112.098 114.554 -0.083 0.000 3.014 351 T HA 0.606 4.956 4.350 0.000 0.000 0.250 351 T C 1.150 175.663 174.700 -0.311 0.000 1.060 351 T CA 0.354 62.396 62.100 -0.098 0.000 1.040 351 T CB 0.441 69.317 68.868 0.013 0.000 0.971 351 T HN 0.563 nan 8.240 nan 0.000 0.497 352 G N 0.446 108.937 108.800 -0.516 0.000 2.795 352 G HA2 0.478 4.438 3.960 0.000 0.000 0.127 352 G HA3 0.478 4.438 3.960 0.000 0.000 0.127 352 G C -1.674 173.027 174.900 -0.332 0.000 1.203 352 G CA -0.485 44.175 45.100 -0.732 0.000 1.145 352 G HN 0.507 nan 8.290 nan 0.000 0.580 353 W N -0.162 120.910 121.300 -0.380 0.000 2.630 353 W HA 0.786 5.446 4.660 0.000 0.000 0.365 353 W C -0.541 175.924 176.519 -0.090 0.000 1.270 353 W CA -1.366 55.867 57.345 -0.186 0.000 1.291 353 W CB 0.924 30.255 29.460 -0.216 0.000 1.440 353 W HN 0.280 nan 8.180 nan 0.000 0.652 354 V N 3.000 122.991 119.914 0.127 0.000 2.383 354 V HA 0.715 4.835 4.120 0.000 0.000 0.275 354 V C 0.723 176.886 176.094 0.115 0.000 1.036 354 V CA 0.331 62.663 62.300 0.052 0.000 0.889 354 V CB -0.064 31.794 31.823 0.058 0.000 0.985 354 V HN 1.299 nan 8.190 nan 0.000 0.459 355 G N 5.137 113.960 108.800 0.037 0.000 2.795 355 G HA2 -0.179 3.781 3.960 0.000 0.000 0.664 355 G HA3 -0.179 3.781 3.960 0.000 0.000 0.664 355 G C 0.340 175.316 174.900 0.126 0.000 1.381 355 G CA 0.084 45.232 45.100 0.080 0.000 0.853 355 G HN 0.629 nan 8.290 nan 0.000 0.545 356 R N -0.675 119.889 120.500 0.106 0.000 2.066 356 R HA 0.067 4.407 4.340 0.000 0.000 0.232 356 R C 1.808 178.042 176.300 -0.110 0.000 1.131 356 R CA 2.221 58.326 56.100 0.008 0.000 0.955 356 R CB -0.102 30.221 30.300 0.038 0.000 0.851 356 R HN 0.487 nan 8.270 nan 0.000 0.432 357 F N -1.032 119.063 119.950 0.241 0.000 2.871 357 F HA 0.274 4.801 4.527 0.000 0.000 0.344 357 F C 0.319 176.141 175.800 0.037 0.000 1.078 357 F CA -0.469 57.609 58.000 0.129 0.000 1.149 357 F CB 0.790 39.859 39.000 0.115 0.000 1.087 357 F HN -0.093 nan 8.300 nan 0.000 0.557 358 R N -1.459 119.172 120.500 0.218 0.000 2.829 358 R HA 0.357 4.697 4.340 0.000 0.000 0.283 358 R C -3.413 172.942 176.300 0.092 0.000 1.013 358 R CA -1.780 54.376 56.100 0.094 0.000 0.848 358 R CB 0.085 30.396 30.300 0.019 0.000 1.291 358 R HN -0.359 nan 8.270 nan 0.000 0.496 359 P HA 0.023 nan 4.420 nan 0.000 0.268 359 P C -0.271 177.039 177.300 0.017 0.000 1.204 359 P CA 0.054 63.166 63.100 0.020 0.000 0.768 359 P CB 0.908 32.595 31.700 -0.021 0.000 0.842 360 S N 2.230 117.949 115.700 0.031 0.000 2.576 360 S HA 0.097 4.567 4.470 0.000 0.000 0.272 360 S C 0.293 174.889 174.600 -0.006 0.000 1.352 360 S CA -0.629 57.598 58.200 0.046 0.000 1.021 360 S CB 0.310 63.550 63.200 0.068 0.000 0.887 360 S HN 0.520 nan 8.310 nan 0.000 0.542 361 E N 1.528 121.747 120.200 0.033 0.000 2.319 361 E HA 0.430 4.780 4.350 0.000 0.000 0.268 361 E C -2.844 173.730 176.600 -0.045 0.000 1.050 361 E CA -2.306 54.075 56.400 -0.031 0.000 0.878 361 E CB 0.539 30.235 29.700 -0.008 0.000 1.066 361 E HN 0.466 nan 8.360 nan 0.000 0.406 362 P HA 0.317 nan 4.420 nan 0.000 0.290 362 P C -0.879 176.329 177.300 -0.153 0.000 1.275 362 P CA -0.492 62.413 63.100 -0.325 0.000 0.841 362 P CB 1.100 32.270 31.700 -0.884 0.000 1.042 363 H N 1.979 121.029 119.070 -0.034 0.000 2.708 363 H HA 0.310 4.866 4.556 0.000 0.000 0.320 363 H C -0.402 175.047 175.328 0.200 0.000 0.991 363 H CA -0.309 55.835 56.048 0.160 0.000 1.243 363 H CB 0.587 30.444 29.762 0.158 0.000 1.446 363 H HN 0.300 nan 8.280 nan 0.000 0.502 364 F N 1.564 121.668 119.950 0.258 0.000 2.371 364 F HA 0.108 4.635 4.527 0.000 0.000 0.329 364 F C 1.647 177.625 175.800 0.297 0.000 1.107 364 F CA -0.450 57.729 58.000 0.299 0.000 1.137 364 F CB 1.069 40.191 39.000 0.202 0.000 1.214 364 F HN 0.400 nan 8.300 nan 0.000 0.536 365 T N -0.153 114.690 114.554 0.481 0.000 2.771 365 T HA 0.180 4.530 4.350 0.000 0.000 0.290 365 T C 1.363 176.242 174.700 0.298 0.000 1.005 365 T CA -0.818 61.503 62.100 0.368 0.000 0.944 365 T CB 0.518 69.591 68.868 0.343 0.000 1.147 365 T HN 0.363 nan 8.240 nan 0.000 0.534 366 L N 1.504 122.862 121.223 0.224 0.000 1.956 366 L HA -0.119 4.221 4.340 0.000 0.000 0.216 366 L C 2.548 179.523 176.870 0.175 0.000 1.073 366 L CA 2.852 57.798 54.840 0.177 0.000 0.762 366 L CB -1.778 40.364 42.059 0.138 0.000 0.889 366 L HN 0.962 nan 8.230 nan 0.000 0.433 367 D N -1.368 119.133 120.400 0.168 0.000 2.312 367 D HA -0.003 4.637 4.640 0.000 0.000 0.211 367 D C 1.433 177.843 176.300 0.183 0.000 0.964 367 D CA 0.921 55.013 54.000 0.153 0.000 0.877 367 D CB -0.329 40.548 40.800 0.129 0.000 0.924 367 D HN 0.442 nan 8.370 nan 0.000 0.515 368 G N 0.156 109.107 108.800 0.251 0.000 2.147 368 G HA2 -0.307 3.653 3.960 0.000 0.000 0.244 368 G HA3 -0.307 3.653 3.960 0.000 0.000 0.244 368 G C 0.735 175.852 174.900 0.361 0.000 1.005 368 G CA 0.306 45.608 45.100 0.336 0.000 0.713 368 G HN 0.379 nan 8.290 nan 0.000 0.515 369 N N -0.307 118.552 118.700 0.265 0.000 2.282 369 N HA 0.147 4.887 4.740 0.000 0.000 0.185 369 N C 0.447 176.030 175.510 0.121 0.000 1.099 369 N CA 0.841 54.005 53.050 0.191 0.000 0.878 369 N CB 0.573 39.126 38.487 0.110 0.000 0.993 369 N HN 0.403 nan 8.380 nan 0.000 0.481 370 S N 0.301 116.080 115.700 0.131 0.000 2.569 370 S HA 0.719 5.189 4.470 0.000 0.000 0.280 370 S C -1.051 173.529 174.600 -0.033 0.000 1.111 370 S CA -0.752 57.382 58.200 -0.111 0.000 0.887 370 S CB 1.834 64.961 63.200 -0.121 0.000 1.095 370 S HN 0.234 nan 8.310 nan 0.000 0.476 371 F N -0.730 119.028 119.950 -0.319 0.000 2.668 371 F HA 0.771 5.298 4.527 0.000 0.000 0.309 371 F C -2.065 173.531 175.800 -0.339 0.000 1.117 371 F CA -1.464 56.290 58.000 -0.410 0.000 0.951 371 F CB 0.428 38.711 39.000 -1.195 0.000 1.323 371 F HN 0.459 nan 8.300 nan 0.000 0.451 372 Y N 1.275 121.704 120.300 0.216 0.000 2.457 372 Y HA 0.780 5.330 4.550 0.000 0.000 0.333 372 Y C 0.017 175.996 175.900 0.132 0.000 1.119 372 Y CA -0.958 57.248 58.100 0.176 0.000 1.143 372 Y CB 1.995 40.517 38.460 0.103 0.000 1.230 372 Y HN 0.831 nan 8.280 nan 0.000 0.469 373 K N 1.295 121.825 120.400 0.216 0.000 2.625 373 K HA 0.486 4.806 4.320 0.000 0.000 0.284 373 K C -2.014 174.664 176.600 0.131 0.000 0.984 373 K CA -0.578 55.768 56.287 0.099 0.000 0.865 373 K CB 1.635 34.052 32.500 -0.138 0.000 1.468 373 K HN 0.688 nan 8.250 nan 0.000 0.407 374 I N 3.947 124.584 120.570 0.111 0.000 2.395 374 I HA 0.357 4.527 4.170 0.000 0.000 0.289 374 I C -0.143 176.059 176.117 0.141 0.000 1.023 374 I CA -0.768 60.609 61.300 0.128 0.000 1.350 374 I CB 0.932 38.990 38.000 0.097 0.000 1.409 374 I HN 0.544 nan 8.210 nan 0.000 0.507 375 I N 4.399 125.098 120.570 0.215 0.000 2.722 375 I HA 0.341 4.511 4.170 0.000 0.000 0.292 375 I C -0.240 176.018 176.117 0.236 0.000 1.267 375 I CA -0.245 61.190 61.300 0.223 0.000 1.036 375 I CB 2.256 40.430 38.000 0.289 0.000 1.281 375 I HN 0.553 nan 8.210 nan 0.000 0.423 376 S N 5.476 121.231 115.700 0.092 0.000 2.549 376 S HA 0.327 4.797 4.470 0.000 0.000 0.279 376 S C 0.056 174.673 174.600 0.030 0.000 1.321 376 S CA -0.461 57.725 58.200 -0.023 0.000 1.054 376 S CB -0.128 62.996 63.200 -0.127 0.000 0.899 376 S HN 0.901 nan 8.310 nan 0.000 0.497 377 N N 1.813 120.409 118.700 -0.173 0.000 2.408 377 N HA 0.133 4.873 4.740 0.000 0.000 0.260 377 N C 0.341 175.773 175.510 -0.130 0.000 1.242 377 N CA -0.738 52.113 53.050 -0.332 0.000 0.959 377 N CB 0.490 38.421 38.487 -0.927 0.000 1.201 377 N HN 0.692 nan 8.380 nan 0.000 0.511 378 E N -0.294 119.863 120.200 -0.071 0.000 2.339 378 E HA -0.197 4.153 4.350 0.000 0.000 0.201 378 E C 0.648 177.214 176.600 -0.056 0.000 1.015 378 E CA 1.277 57.656 56.400 -0.035 0.000 0.841 378 E CB 0.009 29.704 29.700 -0.009 0.000 0.754 378 E HN 0.607 nan 8.360 nan 0.000 0.508 379 E N -1.464 118.693 120.200 -0.071 0.000 2.479 379 E HA 0.092 4.442 4.350 0.000 0.000 0.193 379 E C 1.135 177.702 176.600 -0.056 0.000 1.049 379 E CA 0.392 56.779 56.400 -0.021 0.000 0.870 379 E CB 0.841 30.558 29.700 0.029 0.000 0.944 379 E HN 0.358 nan 8.360 nan 0.000 0.492 380 G N 0.809 109.519 108.800 -0.150 0.000 2.238 380 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 380 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 380 G C -0.117 174.475 174.900 -0.513 0.000 0.996 380 G CA -0.341 44.554 45.100 -0.341 0.000 0.632 380 G HN 0.190 nan 8.290 nan 0.000 0.503 381 Y N 1.092 121.233 120.300 -0.265 0.000 2.307 381 Y HA 0.671 5.221 4.550 0.000 0.000 0.324 381 Y C 1.291 176.952 175.900 -0.397 0.000 1.238 381 Y CA -0.553 57.338 58.100 -0.349 0.000 1.280 381 Y CB 0.697 38.911 38.460 -0.411 0.000 1.248 381 Y HN 0.044 nan 8.280 nan 0.000 0.508 382 R N 3.006 123.323 120.500 -0.305 0.000 2.216 382 R HA 0.298 4.638 4.340 0.000 0.000 0.332 382 R C -0.735 175.299 176.300 -0.443 0.000 1.056 382 R CA -0.272 55.677 56.100 -0.251 0.000 0.901 382 R CB 0.234 30.450 30.300 -0.140 0.000 1.039 382 R HN 0.660 nan 8.270 nan 0.000 0.456 383 H N 1.542 120.556 119.070 -0.092 0.000 2.906 383 H HA 0.396 4.952 4.556 0.000 0.000 0.337 383 H C -0.111 175.282 175.328 0.108 0.000 1.257 383 H CA -0.975 55.001 56.048 -0.120 0.000 1.192 383 H CB 1.458 31.027 29.762 -0.322 0.000 1.912 383 H HN 0.309 nan 8.280 nan 0.000 0.573 384 I N 1.259 121.955 120.570 0.210 0.000 2.352 384 I HA 0.082 4.252 4.170 0.000 0.000 0.290 384 I C 0.150 176.389 176.117 0.204 0.000 1.036 384 I CA -0.015 61.380 61.300 0.159 0.000 1.336 384 I CB 0.439 38.438 38.000 -0.001 0.000 1.407 384 I HN 0.094 nan 8.210 nan 0.000 0.497 385 c N 7.252 125.949 118.600 0.161 0.000 2.351 385 c HA 0.391 4.962 4.570 0.000 0.000 0.326 385 c C -0.251 173.946 174.090 0.179 0.000 1.272 385 c CA -0.475 55.815 56.329 -0.066 0.000 1.650 385 c CB 0.759 43.080 42.510 -0.314 0.000 2.257 385 c HN 0.610 nan 8.230 nan 0.000 0.505 386 Y N 4.921 125.076 120.300 -0.241 0.000 2.327 386 Y HA 0.609 5.159 4.550 0.000 0.000 0.336 386 Y C -0.799 174.864 175.900 -0.395 0.000 1.035 386 Y CA -0.760 57.109 58.100 -0.385 0.000 1.165 386 Y CB 0.191 38.425 38.460 -0.376 0.000 1.181 386 Y HN 0.639 nan 8.280 nan 0.000 0.494 387 F N 4.112 123.435 119.950 -1.044 0.000 2.532 387 F HA 0.349 4.877 4.527 0.000 0.000 0.321 387 F C 0.277 175.381 175.800 -1.160 0.000 1.089 387 F CA -0.916 56.386 58.000 -1.163 0.000 0.926 387 F CB 1.964 39.900 39.000 -1.773 0.000 1.168 387 F HN 0.278 nan 8.300 nan 0.000 0.459 388 Q N 3.183 122.627 119.800 -0.594 0.000 2.155 388 Q HA 0.293 4.633 4.340 0.000 0.000 0.273 388 Q C 1.126 177.036 176.000 -0.149 0.000 0.857 388 Q CA -0.108 55.449 55.803 -0.410 0.000 1.116 388 Q CB 0.103 28.619 28.738 -0.370 0.000 1.209 388 Q HN 0.750 nan 8.270 nan 0.000 0.460 389 I N -4.329 116.216 120.570 -0.042 0.000 4.793 389 I HA -0.614 3.556 4.170 0.000 0.000 0.044 389 I C 0.848 177.057 176.117 0.154 0.000 0.631 389 I CA 2.383 63.850 61.300 0.277 0.000 0.536 389 I CB -0.870 37.276 38.000 0.244 0.000 0.530 389 I HN 0.099 nan 8.210 nan 0.000 0.155 390 D N 1.959 122.388 120.400 0.049 0.000 2.265 390 D HA -0.018 4.623 4.640 0.000 0.000 0.208 390 D C 1.206 177.482 176.300 -0.040 0.000 0.977 390 D CA 1.418 55.417 54.000 -0.001 0.000 0.871 390 D CB -0.067 40.729 40.800 -0.006 0.000 0.925 390 D HN 0.320 nan 8.370 nan 0.000 0.485 391 K N 1.282 121.645 120.400 -0.061 0.000 2.087 391 K HA 0.157 4.477 4.320 0.000 0.000 0.255 391 K C -0.030 176.509 176.600 -0.102 0.000 0.988 391 K CA -0.457 55.771 56.287 -0.098 0.000 0.915 391 K CB 1.003 33.416 32.500 -0.144 0.000 1.043 391 K HN 0.021 nan 8.250 nan 0.000 0.457 392 K N 2.018 122.346 120.400 -0.119 0.000 2.087 392 K HA 0.222 4.542 4.320 0.000 0.000 0.255 392 K C -0.574 175.916 176.600 -0.183 0.000 0.988 392 K CA -0.556 55.654 56.287 -0.128 0.000 0.915 392 K CB 0.595 33.032 32.500 -0.104 0.000 1.043 392 K HN 0.647 nan 8.250 nan 0.000 0.457 393 D N -1.038 119.244 120.400 -0.197 0.000 9.143 393 D HA -0.211 4.429 4.640 0.000 0.000 0.348 393 D C -0.358 175.605 176.300 -0.562 0.000 2.867 393 D CA 1.050 54.871 54.000 -0.299 0.000 2.085 393 D CB -0.693 39.975 40.800 -0.221 0.000 1.165 393 D HN 1.024 nan 8.370 nan 0.000 1.153 394 c N -2.354 115.814 118.600 -0.720 0.000 3.236 394 c HA 0.810 5.380 4.570 0.000 0.000 0.312 394 c C -0.212 173.481 174.090 -0.662 0.000 1.374 394 c CA -0.552 55.179 56.329 -0.996 0.000 1.455 394 c CB 1.735 43.080 42.510 -1.941 0.000 1.834 394 c HN 0.626 nan 8.230 nan 0.000 0.460 395 T N 1.764 116.017 114.554 -0.501 0.000 2.771 395 T HA 0.542 4.892 4.350 0.000 0.000 0.281 395 T C -0.823 173.698 174.700 -0.298 0.000 0.982 395 T CA 0.164 62.103 62.100 -0.268 0.000 0.978 395 T CB 0.334 69.195 68.868 -0.011 0.000 0.930 395 T HN 0.451 nan 8.240 nan 0.000 0.447 396 F N 3.555 123.427 119.950 -0.129 0.000 2.438 396 F HA 0.294 4.821 4.527 0.000 0.000 0.356 396 F C 1.564 177.165 175.800 -0.332 0.000 1.099 396 F CA -1.137 56.753 58.000 -0.184 0.000 1.185 396 F CB 0.447 39.340 39.000 -0.179 0.000 1.115 396 F HN 0.560 nan 8.300 nan 0.000 0.526 397 I N -0.792 119.587 120.570 -0.318 0.000 3.883 397 I HA 0.295 4.465 4.170 0.000 0.000 0.326 397 I C -0.232 175.635 176.117 -0.418 0.000 1.283 397 I CA 0.402 61.180 61.300 -0.869 0.000 1.161 397 I CB -0.042 37.206 38.000 -1.254 0.000 1.012 397 I HN 0.357 nan 8.210 nan 0.000 0.421 398 T N 2.210 116.599 114.554 -0.277 0.000 2.916 398 T HA 0.565 4.915 4.350 0.000 0.000 0.305 398 T C -0.949 173.172 174.700 -0.964 0.000 1.119 398 T CA -0.770 61.081 62.100 -0.414 0.000 1.008 398 T CB 2.561 71.253 68.868 -0.293 0.000 1.129 398 T HN 0.458 nan 8.240 nan 0.000 0.480 399 K N 0.129 119.791 120.400 -1.230 0.000 2.571 399 K HA 0.853 5.173 4.320 0.000 0.000 0.289 399 K C -0.626 175.359 176.600 -1.024 0.000 1.028 399 K CA -1.046 54.400 56.287 -1.401 0.000 0.895 399 K CB 1.553 33.678 32.500 -0.626 0.000 1.534 399 K HN 1.109 nan 8.250 nan 0.000 0.421 400 G N -0.395 107.993 108.800 -0.687 0.000 2.347 400 G HA2 0.034 3.994 3.960 0.000 0.000 0.477 400 G HA3 0.034 3.994 3.960 0.000 0.000 0.477 400 G C -0.974 173.474 174.900 -0.754 0.000 1.349 400 G CA -0.570 44.213 45.100 -0.528 0.000 1.000 400 G HN 0.478 nan 8.290 nan 0.000 0.605 401 T N 2.413 116.667 114.554 -0.500 0.000 3.843 401 T HA 0.488 4.838 4.350 0.000 0.000 0.227 401 T C -0.180 174.286 174.700 -0.390 0.000 1.043 401 T CA 0.735 62.366 62.100 -0.782 0.000 1.012 401 T CB -1.112 67.557 68.868 -0.332 0.000 1.279 401 T HN 0.785 nan 8.240 nan 0.000 0.730 402 W N -0.186 120.822 121.300 -0.486 0.000 2.989 402 W HA 0.570 5.230 4.660 0.000 0.000 0.344 402 W C -1.354 175.087 176.519 -0.131 0.000 1.233 402 W CA -0.994 56.258 57.345 -0.155 0.000 1.187 402 W CB 0.733 30.136 29.460 -0.096 0.000 1.443 402 W HN -0.013 nan 8.180 nan 0.000 0.573 403 E N 0.637 120.972 120.200 0.225 0.000 2.320 403 E HA 0.509 4.859 4.350 0.000 0.000 0.264 403 E C -1.160 175.544 176.600 0.173 0.000 0.923 403 E CA -1.262 55.084 56.400 -0.090 0.000 0.796 403 E CB 3.211 32.909 29.700 -0.003 0.000 1.262 403 E HN 0.159 nan 8.360 nan 0.000 0.428 404 V N 3.311 123.206 119.914 -0.033 0.000 2.385 404 V HA 0.019 4.139 4.120 0.000 0.000 0.269 404 V C 1.267 177.450 176.094 0.148 0.000 1.043 404 V CA -0.155 62.231 62.300 0.143 0.000 0.906 404 V CB 0.634 32.444 31.823 -0.021 0.000 0.995 404 V HN 0.677 nan 8.190 nan 0.000 0.467 405 I N 3.470 124.155 120.570 0.193 0.000 2.163 405 I HA 0.114 4.284 4.170 0.000 0.000 0.240 405 I C 1.165 177.390 176.117 0.179 0.000 1.081 405 I CA 1.490 62.891 61.300 0.168 0.000 1.353 405 I CB -0.823 37.215 38.000 0.064 0.000 1.054 405 I HN 0.752 nan 8.210 nan 0.000 0.407 406 G N 0.209 109.119 108.800 0.184 0.000 2.667 406 G HA2 0.499 4.459 3.960 0.000 0.000 0.294 406 G HA3 0.499 4.459 3.960 0.000 0.000 0.294 406 G C -1.119 173.881 174.900 0.168 0.000 1.467 406 G CA -0.634 44.570 45.100 0.173 0.000 0.852 406 G HN -0.021 nan 8.290 nan 0.000 0.521 407 I N 1.566 122.184 120.570 0.081 0.000 2.371 407 I HA 0.225 4.395 4.170 0.000 0.000 0.290 407 I C 0.674 176.788 176.117 -0.005 0.000 1.028 407 I CA -0.492 60.768 61.300 -0.068 0.000 1.345 407 I CB 1.622 39.313 38.000 -0.515 0.000 1.407 407 I HN 0.515 nan 8.210 nan 0.000 0.501 408 E N 4.653 124.886 120.200 0.056 0.000 2.206 408 E HA 0.299 4.649 4.350 0.000 0.000 0.195 408 E C 0.151 176.733 176.600 -0.030 0.000 0.935 408 E CA 0.339 56.811 56.400 0.121 0.000 0.875 408 E CB 0.698 30.555 29.700 0.261 0.000 0.841 408 E HN 0.687 nan 8.360 nan 0.000 0.477 409 A N 0.881 123.586 122.820 -0.191 0.000 2.547 409 A HA 0.584 4.904 4.320 0.000 0.000 0.297 409 A C -1.825 175.680 177.584 -0.132 0.000 1.056 409 A CA -0.626 51.209 52.037 -0.338 0.000 0.688 409 A CB 1.409 19.719 19.000 -1.151 0.000 1.282 409 A HN 0.052 nan 8.150 nan 0.000 0.400 410 L N 2.180 123.367 121.223 -0.060 0.000 2.376 410 L HA 0.805 5.146 4.340 0.000 0.000 0.275 410 L C 0.150 177.026 176.870 0.011 0.000 0.987 410 L CA 0.297 55.122 54.840 -0.024 0.000 0.828 410 L CB 1.626 43.715 42.059 0.051 0.000 1.249 410 L HN 1.006 nan 8.230 nan 0.000 0.409 411 T N 0.038 114.606 114.554 0.025 0.000 2.927 411 T HA 0.429 4.779 4.350 0.000 0.000 0.286 411 T C 1.016 175.745 174.700 0.047 0.000 1.040 411 T CA 0.001 62.134 62.100 0.055 0.000 1.010 411 T CB 1.268 70.204 68.868 0.112 0.000 1.177 411 T HN 0.612 nan 8.240 nan 0.000 0.546 412 S N -0.703 115.033 115.700 0.060 0.000 2.453 412 S HA -0.088 4.382 4.470 0.000 0.000 0.231 412 S C 1.208 175.809 174.600 0.002 0.000 1.005 412 S CA 0.813 59.044 58.200 0.051 0.000 0.949 412 S CB -0.535 62.701 63.200 0.060 0.000 0.774 412 S HN 0.703 nan 8.310 nan 0.000 0.510 413 D N 0.452 120.867 120.400 0.026 0.000 2.121 413 D HA 0.158 4.798 4.640 0.000 0.000 0.209 413 D C 0.002 176.158 176.300 -0.241 0.000 0.981 413 D CA 1.083 55.073 54.000 -0.017 0.000 0.875 413 D CB 0.091 41.046 40.800 0.258 0.000 1.016 413 D HN 0.416 nan 8.370 nan 0.000 0.452 414 Y N -1.007 119.213 120.300 -0.132 0.000 2.773 414 Y HA 0.550 5.100 4.550 0.000 0.000 0.323 414 Y C -0.313 175.398 175.900 -0.314 0.000 1.183 414 Y CA -1.000 56.938 58.100 -0.270 0.000 1.144 414 Y CB 1.255 39.424 38.460 -0.486 0.000 1.340 414 Y HN -0.183 nan 8.280 nan 0.000 0.531 415 L N 1.330 122.431 121.223 -0.204 0.000 2.404 415 L HA 0.527 4.867 4.340 0.000 0.000 0.272 415 L C -1.985 174.794 176.870 -0.152 0.000 0.980 415 L CA -0.588 54.129 54.840 -0.204 0.000 0.836 415 L CB 0.733 42.604 42.059 -0.315 0.000 1.238 415 L HN 0.564 nan 8.230 nan 0.000 0.408 416 Y N 4.773 125.021 120.300 -0.088 0.000 2.323 416 Y HA 0.530 5.080 4.550 0.000 0.000 0.331 416 Y C -0.195 175.727 175.900 0.036 0.000 1.092 416 Y CA -0.263 57.788 58.100 -0.081 0.000 1.150 416 Y CB 1.103 39.447 38.460 -0.193 0.000 1.200 416 Y HN 0.525 nan 8.280 nan 0.000 0.472 417 Y N 0.361 120.737 120.300 0.126 0.000 2.689 417 Y HA 0.783 5.333 4.550 0.000 0.000 0.333 417 Y C -1.836 174.141 175.900 0.128 0.000 1.190 417 Y CA -1.841 56.316 58.100 0.094 0.000 1.063 417 Y CB 1.114 39.603 38.460 0.047 0.000 1.294 417 Y HN 0.285 nan 8.280 nan 0.000 0.466 418 I N 2.784 123.499 120.570 0.241 0.000 2.493 418 I HA 0.644 4.814 4.170 0.000 0.000 0.298 418 I C -0.313 175.952 176.117 0.246 0.000 0.998 418 I CA -0.381 61.001 61.300 0.136 0.000 1.137 418 I CB 1.738 39.785 38.000 0.079 0.000 1.310 418 I HN 0.915 nan 8.210 nan 0.000 0.445 419 S N 3.510 119.286 115.700 0.128 0.000 2.656 419 S HA 0.445 4.915 4.470 0.000 0.000 0.273 419 S C -0.581 174.025 174.600 0.009 0.000 1.168 419 S CA -0.819 57.455 58.200 0.122 0.000 0.817 419 S CB 1.925 65.188 63.200 0.104 0.000 1.146 419 S HN 0.599 nan 8.310 nan 0.000 0.475 420 N N -0.393 118.331 118.700 0.039 0.000 2.389 420 N HA 0.174 4.914 4.740 0.000 0.000 0.260 420 N C 0.479 175.939 175.510 -0.083 0.000 1.191 420 N CA -0.300 52.749 53.050 -0.003 0.000 0.885 420 N CB 0.357 38.856 38.487 0.021 0.000 1.162 420 N HN 0.818 nan 8.380 nan 0.000 0.512 421 E N 0.113 120.078 120.200 -0.391 0.000 2.028 421 E HA -0.191 4.159 4.350 0.000 0.000 0.191 421 E C -0.292 176.137 176.600 -0.285 0.000 0.988 421 E CA 0.253 56.166 56.400 -0.813 0.000 0.799 421 E CB -0.130 28.574 29.700 -1.660 0.000 0.755 421 E HN 0.351 nan 8.360 nan 0.000 0.447 422 Y N 2.338 122.539 120.300 -0.165 0.000 3.032 422 Y HA -0.226 4.324 4.550 0.000 0.000 0.344 422 Y C 0.377 176.235 175.900 -0.071 0.000 1.273 422 Y CA 0.783 58.846 58.100 -0.062 0.000 1.588 422 Y CB 0.314 38.772 38.460 -0.004 0.000 1.209 422 Y HN 0.126 nan 8.280 nan 0.000 0.597 423 K N 3.268 123.323 120.400 -0.575 0.000 2.905 423 K HA -0.269 4.051 4.320 0.000 0.000 0.256 423 K C 1.005 177.509 176.600 -0.159 0.000 1.008 423 K CA 1.072 57.114 56.287 -0.408 0.000 0.752 423 K CB -2.135 30.093 32.500 -0.453 0.000 1.216 423 K HN 1.370 nan 8.250 nan 0.000 0.479 424 G N 0.576 109.302 108.800 -0.124 0.000 2.269 424 G HA2 -0.346 3.614 3.960 0.000 0.000 0.277 424 G HA3 -0.346 3.614 3.960 0.000 0.000 0.277 424 G C 0.159 175.023 174.900 -0.060 0.000 1.008 424 G CA 0.983 46.056 45.100 -0.046 0.000 0.774 424 G HN 0.419 nan 8.290 nan 0.000 0.511 425 M N 1.044 120.544 119.600 -0.166 0.000 2.094 425 M HA 0.221 4.701 4.480 0.000 0.000 0.348 425 M C -0.622 175.418 176.300 -0.434 0.000 1.267 425 M CA -1.904 53.122 55.300 -0.457 0.000 1.125 425 M CB 1.383 33.794 32.600 -0.315 0.000 1.527 425 M HN -0.054 nan 8.290 nan 0.000 0.447 426 P HA -0.096 nan 4.420 nan 0.000 0.220 426 P C 0.928 178.079 177.300 -0.248 0.000 1.148 426 P CA 1.219 64.131 63.100 -0.314 0.000 0.803 426 P CB 0.127 31.640 31.700 -0.312 0.000 0.782 427 G N -0.382 108.186 108.800 -0.387 0.000 3.440 427 G HA2 0.366 4.326 3.960 0.000 0.000 0.263 427 G HA3 0.366 4.326 3.960 0.000 0.000 0.263 427 G C 0.512 175.404 174.900 -0.013 0.000 1.236 427 G CA -0.023 44.986 45.100 -0.150 0.000 0.927 427 G HN 0.423 nan 8.290 nan 0.000 0.530 428 G N -0.339 108.428 108.800 -0.055 0.000 2.453 428 G HA2 0.658 4.618 3.960 0.000 0.000 0.323 428 G HA3 0.658 4.618 3.960 0.000 0.000 0.323 428 G C -1.069 173.787 174.900 -0.073 0.000 1.198 428 G CA -0.967 44.152 45.100 0.031 0.000 0.959 428 G HN 0.208 nan 8.290 nan 0.000 0.482 429 R N 0.755 121.166 120.500 -0.149 0.000 2.514 429 R HA 0.405 4.745 4.340 0.000 0.000 0.296 429 R C -1.103 175.165 176.300 -0.054 0.000 1.012 429 R CA -0.634 55.302 56.100 -0.273 0.000 0.897 429 R CB 1.503 31.304 30.300 -0.832 0.000 1.184 429 R HN 0.551 nan 8.270 nan 0.000 0.440 430 N N 2.293 121.004 118.700 0.019 0.000 2.357 430 N HA 0.344 5.084 4.740 0.000 0.000 0.284 430 N C -1.750 173.745 175.510 -0.026 0.000 1.236 430 N CA -0.734 52.311 53.050 -0.009 0.000 0.774 430 N CB 2.154 40.571 38.487 -0.116 0.000 1.534 430 N HN 0.263 nan 8.380 nan 0.000 0.478 431 L N 2.432 123.510 121.223 -0.241 0.000 2.265 431 L HA 0.478 4.818 4.340 0.000 0.000 0.288 431 L C -1.327 175.339 176.870 -0.340 0.000 1.058 431 L CA 0.014 54.724 54.840 -0.216 0.000 0.809 431 L CB -0.321 41.585 42.059 -0.255 0.000 1.179 431 L HN 0.411 nan 8.230 nan 0.000 0.429 432 Y N 3.765 123.741 120.300 -0.540 0.000 2.675 432 Y HA 0.698 5.248 4.550 0.000 0.000 0.328 432 Y C -0.293 175.279 175.900 -0.546 0.000 1.092 432 Y CA -0.867 56.864 58.100 -0.614 0.000 1.190 432 Y CB 1.408 39.304 38.460 -0.939 0.000 1.350 432 Y HN 0.585 nan 8.280 nan 0.000 0.525 433 K N 1.472 121.732 120.400 -0.233 0.000 2.589 433 K HA 0.539 4.859 4.320 0.000 0.000 0.253 433 K C -2.312 174.266 176.600 -0.035 0.000 0.974 433 K CA -0.511 55.581 56.287 -0.326 0.000 0.835 433 K CB 1.825 33.935 32.500 -0.649 0.000 1.272 433 K HN 0.763 nan 8.250 nan 0.000 0.444 434 I N 3.034 123.661 120.570 0.094 0.000 2.406 434 I HA 0.206 4.376 4.170 0.000 0.000 0.290 434 I C -0.492 175.699 176.117 0.123 0.000 0.999 434 I CA -0.708 60.703 61.300 0.185 0.000 1.124 434 I CB 1.825 39.961 38.000 0.226 0.000 1.289 434 I HN 0.860 nan 8.210 nan 0.000 0.441 435 Q N 5.453 125.308 119.800 0.092 0.000 2.271 435 Q HA 0.051 4.391 4.340 0.000 0.000 0.273 435 Q C 0.206 176.105 176.000 -0.168 0.000 1.051 435 Q CA -0.380 55.259 55.803 -0.274 0.000 0.901 435 Q CB 1.064 29.668 28.738 -0.224 0.000 1.174 435 Q HN 0.755 nan 8.270 nan 0.000 0.385 436 L N 3.243 124.303 121.223 -0.271 0.000 2.265 436 L HA -0.149 4.191 4.340 0.000 0.000 0.215 436 L C 2.120 178.873 176.870 -0.194 0.000 1.117 436 L CA 1.790 56.556 54.840 -0.124 0.000 0.782 436 L CB -0.668 41.295 42.059 -0.160 0.000 0.914 436 L HN 0.765 nan 8.230 nan 0.000 0.441 437 S N -2.744 112.798 115.700 -0.263 0.000 2.548 437 S HA 0.087 4.557 4.470 0.000 0.000 0.215 437 S C 0.372 174.779 174.600 -0.322 0.000 0.976 437 S CA 0.025 58.065 58.200 -0.266 0.000 0.908 437 S CB 0.080 63.161 63.200 -0.199 0.000 0.781 437 S HN 0.383 nan 8.310 nan 0.000 0.519 438 D N -0.277 119.930 120.400 -0.321 0.000 2.333 438 D HA 0.240 4.880 4.640 0.000 0.000 0.225 438 D C -0.300 175.926 176.300 -0.123 0.000 1.345 438 D CA -0.570 53.267 54.000 -0.273 0.000 0.971 438 D CB 0.023 40.736 40.800 -0.145 0.000 1.451 438 D HN -0.072 nan 8.370 nan 0.000 0.561 439 Y N 1.285 121.561 120.300 -0.040 0.000 2.465 439 Y HA -0.088 4.462 4.550 0.000 0.000 0.289 439 Y C 2.541 178.448 175.900 0.012 0.000 1.150 439 Y CA 1.531 59.622 58.100 -0.015 0.000 1.293 439 Y CB -0.991 37.462 38.460 -0.011 0.000 0.977 439 Y HN 0.527 nan 8.280 nan 0.000 0.556 440 T N -2.813 111.819 114.554 0.129 0.000 3.088 440 T HA -0.020 4.330 4.350 0.000 0.000 0.259 440 T C 0.939 175.691 174.700 0.086 0.000 1.122 440 T CA 0.219 62.377 62.100 0.096 0.000 1.095 440 T CB -0.196 68.704 68.868 0.053 0.000 0.930 440 T HN 0.171 nan 8.240 nan 0.000 0.508 441 K N 2.131 122.580 120.400 0.081 0.000 3.001 441 K HA 0.390 4.710 4.320 0.000 0.000 0.257 441 K C -0.793 175.878 176.600 0.119 0.000 1.290 441 K CA -0.289 56.047 56.287 0.082 0.000 1.252 441 K CB 0.388 32.923 32.500 0.059 0.000 1.656 441 K HN 0.217 nan 8.250 nan 0.000 0.351 442 V N 1.133 121.127 119.914 0.133 0.000 2.546 442 V HA 0.122 4.242 4.120 0.000 0.000 0.284 442 V C 0.462 176.627 176.094 0.118 0.000 1.050 442 V CA -0.208 62.193 62.300 0.168 0.000 0.981 442 V CB 1.472 33.430 31.823 0.224 0.000 0.990 442 V HN 0.388 nan 8.190 nan 0.000 0.474 443 T N 4.465 119.061 114.554 0.070 0.000 2.881 443 T HA 0.278 4.628 4.350 0.000 0.000 0.290 443 T C -0.680 173.898 174.700 -0.203 0.000 1.000 443 T CA -0.469 61.602 62.100 -0.048 0.000 0.978 443 T CB 0.981 69.800 68.868 -0.082 0.000 0.997 443 T HN 0.815 nan 8.240 nan 0.000 0.443 444 C N 6.848 125.926 119.300 -0.371 0.000 2.394 444 C HA 0.488 4.948 4.460 0.000 0.000 0.362 444 C C 1.372 176.034 174.990 -0.547 0.000 1.268 444 C CA -0.715 57.813 59.018 -0.816 0.000 1.828 444 C CB -1.445 25.699 27.740 -0.994 0.000 2.442 444 C HN 0.928 nan 8.230 nan 0.000 0.549 445 L N 4.916 125.820 121.223 -0.532 0.000 2.509 445 L HA 0.121 4.461 4.340 0.000 0.000 0.222 445 L C 2.225 178.802 176.870 -0.489 0.000 1.123 445 L CA 1.455 56.062 54.840 -0.389 0.000 0.856 445 L CB -0.297 41.598 42.059 -0.274 0.000 0.985 445 L HN 0.909 nan 8.230 nan 0.000 0.456 446 S N -4.647 110.663 115.700 -0.651 0.000 2.628 446 S HA -0.007 4.464 4.470 0.000 0.000 0.246 446 S C 1.928 176.144 174.600 -0.641 0.000 1.062 446 S CA 0.147 57.855 58.200 -0.821 0.000 1.028 446 S CB -0.562 61.788 63.200 -1.415 0.000 0.985 446 S HN 0.245 nan 8.310 nan 0.000 0.551 447 C N 2.953 121.845 119.300 -0.681 0.000 2.367 447 C HA -0.066 4.394 4.460 0.000 0.000 0.276 447 C C 2.608 177.276 174.990 -0.535 0.000 1.195 447 C CA 1.357 59.864 59.018 -0.851 0.000 1.756 447 C CB -0.906 26.180 27.740 -1.090 0.000 2.046 447 C HN 0.604 nan 8.230 nan 0.000 0.453 448 E N 0.561 120.560 120.200 -0.337 0.000 2.442 448 E HA 0.092 4.442 4.350 0.000 0.000 0.195 448 E C 2.056 178.592 176.600 -0.107 0.000 1.030 448 E CA 0.096 56.401 56.400 -0.159 0.000 0.869 448 E CB -0.498 29.139 29.700 -0.105 0.000 0.857 448 E HN 0.649 nan 8.360 nan 0.000 0.505 449 L N 0.764 121.905 121.223 -0.137 0.000 2.011 449 L HA -0.209 4.131 4.340 0.000 0.000 0.225 449 L C 1.242 178.107 176.870 -0.009 0.000 1.084 449 L CA 1.390 56.188 54.840 -0.069 0.000 0.791 449 L CB -0.285 41.730 42.059 -0.073 0.000 0.898 449 L HN 0.133 nan 8.230 nan 0.000 0.440 450 N N -1.798 116.916 118.700 0.024 0.000 2.824 450 N HA 0.097 4.837 4.740 0.000 0.000 0.224 450 N C -2.084 173.442 175.510 0.026 0.000 1.418 450 N CA -0.869 52.194 53.050 0.021 0.000 0.743 450 N CB 0.947 39.446 38.487 0.020 0.000 1.395 450 N HN -0.152 nan 8.380 nan 0.000 0.548 451 P HA -0.232 nan 4.420 nan 0.000 0.208 451 P C 1.093 178.428 177.300 0.059 0.000 1.180 451 P CA 1.331 64.466 63.100 0.059 0.000 0.935 451 P CB 0.384 32.136 31.700 0.086 0.000 0.785 452 E N -0.390 119.838 120.200 0.046 0.000 2.233 452 E HA -0.238 4.112 4.350 0.000 0.000 0.199 452 E C 2.342 178.950 176.600 0.014 0.000 1.004 452 E CA 1.034 57.455 56.400 0.035 0.000 0.819 452 E CB -0.125 29.590 29.700 0.025 0.000 0.738 452 E HN 0.110 nan 8.360 nan 0.000 0.478 453 R N -1.112 119.385 120.500 -0.006 0.000 2.237 453 R HA 0.122 4.462 4.340 0.000 0.000 0.195 453 R C -0.456 175.793 176.300 -0.085 0.000 0.956 453 R CA 0.476 56.551 56.100 -0.042 0.000 1.029 453 R CB 0.562 30.829 30.300 -0.055 0.000 0.972 453 R HN 0.084 nan 8.270 nan 0.000 0.493 454 c N 0.913 119.465 118.600 -0.080 0.000 2.478 454 c HA 0.394 4.964 4.570 0.000 0.000 0.334 454 c C -0.028 174.000 174.090 -0.104 0.000 1.106 454 c CA -0.735 55.467 56.329 -0.213 0.000 1.363 454 c CB 1.474 43.743 42.510 -0.402 0.000 1.941 454 c HN 0.492 nan 8.230 nan 0.000 0.436 455 Q N 0.305 120.064 119.800 -0.070 0.000 2.164 455 Q HA 0.203 4.543 4.340 0.000 0.000 0.226 455 Q C -0.832 175.225 176.000 0.095 0.000 0.813 455 Q CA 0.139 55.981 55.803 0.065 0.000 0.978 455 Q CB 1.341 30.149 28.738 0.118 0.000 1.149 455 Q HN 0.795 nan 8.270 nan 0.000 0.489 456 Y N 0.400 120.591 120.300 -0.181 0.000 2.327 456 Y HA 0.404 4.954 4.550 0.000 0.000 0.325 456 Y C -1.602 174.153 175.900 -0.241 0.000 0.999 456 Y CA -1.069 56.954 58.100 -0.128 0.000 1.195 456 Y CB 0.870 39.262 38.460 -0.112 0.000 1.132 456 Y HN -0.092 nan 8.280 nan 0.000 0.455 457 Y N 2.344 122.551 120.300 -0.156 0.000 2.536 457 Y HA 0.654 5.204 4.550 0.000 0.000 0.347 457 Y C -0.149 175.676 175.900 -0.125 0.000 1.000 457 Y CA -0.768 57.266 58.100 -0.109 0.000 1.051 457 Y CB 2.439 40.821 38.460 -0.131 0.000 1.259 457 Y HN 0.507 nan 8.280 nan 0.000 0.468 458 S N 1.111 116.899 115.700 0.148 0.000 2.549 458 S HA 0.833 5.303 4.470 0.000 0.000 0.280 458 S C -1.779 172.891 174.600 0.116 0.000 1.109 458 S CA -0.691 57.574 58.200 0.107 0.000 0.905 458 S CB 1.715 64.992 63.200 0.129 0.000 1.081 458 S HN 0.673 nan 8.310 nan 0.000 0.477 459 V N 1.150 121.127 119.914 0.104 0.000 3.001 459 V HA 0.916 5.036 4.120 0.000 0.000 0.314 459 V C -0.935 175.217 176.094 0.095 0.000 1.099 459 V CA -0.326 62.008 62.300 0.055 0.000 0.989 459 V CB 2.285 34.075 31.823 -0.054 0.000 1.040 459 V HN 1.186 nan 8.190 nan 0.000 0.434 460 S N 4.107 119.834 115.700 0.044 0.000 2.776 460 S HA 0.692 5.162 4.470 0.000 0.000 0.284 460 S C -1.245 173.417 174.600 0.103 0.000 1.160 460 S CA -0.426 57.896 58.200 0.204 0.000 1.051 460 S CB 0.474 63.882 63.200 0.347 0.000 1.037 460 S HN 0.520 nan 8.310 nan 0.000 0.485 461 F N 2.379 122.308 119.950 -0.034 0.000 2.411 461 F HA 0.582 5.109 4.527 0.000 0.000 0.324 461 F C 1.317 176.420 175.800 -1.163 0.000 1.086 461 F CA -0.494 57.244 58.000 -0.437 0.000 1.028 461 F CB 1.268 40.059 39.000 -0.349 0.000 1.284 461 F HN 0.586 nan 8.300 nan 0.000 0.501 462 S N -0.086 114.887 115.700 -1.212 0.000 2.669 462 S HA 0.298 4.768 4.470 0.000 0.000 0.270 462 S C 0.933 175.318 174.600 -0.359 0.000 1.225 462 S CA -0.871 56.607 58.200 -1.202 0.000 0.991 462 S CB 1.121 63.679 63.200 -1.069 0.000 0.987 462 S HN 0.624 nan 8.310 nan 0.000 0.552 463 K N 0.491 120.830 120.400 -0.100 0.000 2.117 463 K HA -0.186 4.134 4.320 0.000 0.000 0.215 463 K C 0.584 177.159 176.600 -0.043 0.000 1.053 463 K CA 1.876 58.164 56.287 0.002 0.000 0.935 463 K CB -0.192 32.361 32.500 0.089 0.000 0.719 463 K HN 0.571 nan 8.250 nan 0.000 0.460 464 E N -1.414 118.728 120.200 -0.097 0.000 2.651 464 E HA 0.213 4.563 4.350 0.000 0.000 0.208 464 E C -0.383 176.113 176.600 -0.173 0.000 0.997 464 E CA 0.136 56.476 56.400 -0.099 0.000 1.020 464 E CB 0.961 30.625 29.700 -0.059 0.000 1.052 464 E HN 0.303 nan 8.360 nan 0.000 0.465 465 A N 1.308 123.997 122.820 -0.217 0.000 2.640 465 A HA -0.319 4.001 4.320 0.000 0.000 0.300 465 A C 1.410 178.887 177.584 -0.178 0.000 1.499 465 A CA 1.330 53.265 52.037 -0.171 0.000 0.759 465 A CB -1.877 16.844 19.000 -0.466 0.000 1.048 465 A HN 0.253 nan 8.150 nan 0.000 0.450 466 K N -1.969 118.238 120.400 -0.322 0.000 2.228 466 K HA 0.093 4.413 4.320 0.000 0.000 0.202 466 K C -0.079 176.120 176.600 -0.670 0.000 1.051 466 K CA 1.309 57.282 56.287 -0.523 0.000 0.960 466 K CB 0.076 32.137 32.500 -0.732 0.000 0.743 466 K HN 0.737 nan 8.250 nan 0.000 0.458 467 Y N -1.018 119.243 120.300 -0.066 0.000 2.581 467 Y HA 0.322 4.872 4.550 0.000 0.000 0.345 467 Y C -0.690 175.197 175.900 -0.021 0.000 1.036 467 Y CA -1.656 56.470 58.100 0.043 0.000 1.042 467 Y CB 1.510 40.103 38.460 0.221 0.000 1.289 467 Y HN -0.056 nan 8.280 nan 0.000 0.471 468 Y N -1.088 119.245 120.300 0.055 0.000 2.581 468 Y HA 0.571 5.121 4.550 0.000 0.000 0.337 468 Y C -1.431 174.508 175.900 0.066 0.000 1.108 468 Y CA -1.610 56.349 58.100 -0.234 0.000 1.033 468 Y CB 1.637 39.384 38.460 -1.189 0.000 1.318 468 Y HN 0.600 nan 8.280 nan 0.000 0.459 469 Q N 3.534 123.414 119.800 0.134 0.000 2.333 469 Q HA 0.601 4.941 4.340 0.000 0.000 0.265 469 Q C -1.891 174.166 176.000 0.095 0.000 0.989 469 Q CA -0.666 55.178 55.803 0.069 0.000 0.842 469 Q CB 1.528 30.280 28.738 0.023 0.000 1.262 469 Q HN 0.959 nan 8.270 nan 0.000 0.451 470 L N 3.618 124.916 121.223 0.125 0.000 2.357 470 L HA 0.562 4.902 4.340 0.000 0.000 0.273 470 L C 0.006 176.945 176.870 0.116 0.000 1.080 470 L CA -0.637 54.272 54.840 0.115 0.000 0.803 470 L CB 1.225 43.309 42.059 0.043 0.000 1.174 470 L HN 0.637 nan 8.230 nan 0.000 0.443 471 R N 1.850 122.413 120.500 0.104 0.000 2.521 471 R HA 0.232 4.572 4.340 0.000 0.000 0.295 471 R C -1.222 174.957 176.300 -0.202 0.000 1.183 471 R CA -0.535 55.467 56.100 -0.163 0.000 0.957 471 R CB 1.505 31.775 30.300 -0.050 0.000 1.171 471 R HN 0.611 nan 8.270 nan 0.000 0.494 472 c N 3.236 121.603 118.600 -0.388 0.000 2.416 472 c HA 0.213 4.783 4.570 0.000 0.000 0.355 472 c C 1.554 175.390 174.090 -0.424 0.000 1.211 472 c CA -0.248 55.720 56.329 -0.602 0.000 1.699 472 c CB -0.684 41.436 42.510 -0.650 0.000 2.310 472 c HN 0.898 nan 8.230 nan 0.000 0.539 473 S N 3.935 119.486 115.700 -0.247 0.000 2.575 473 S HA 0.579 5.049 4.470 0.000 0.000 0.237 473 S C 0.387 174.935 174.600 -0.086 0.000 0.975 473 S CA 0.207 58.331 58.200 -0.127 0.000 0.960 473 S CB -0.071 63.115 63.200 -0.023 0.000 0.822 473 S HN 1.700 nan 8.310 nan 0.000 0.472 474 G N 1.564 110.285 108.800 -0.132 0.000 2.355 474 G HA2 0.451 4.411 3.960 0.000 0.000 0.296 474 G HA3 0.451 4.411 3.960 0.000 0.000 0.296 474 G C -3.165 171.683 174.900 -0.086 0.000 1.507 474 G CA -0.747 44.315 45.100 -0.062 0.000 0.823 474 G HN -0.093 nan 8.290 nan 0.000 0.569 475 P HA 0.190 nan 4.420 nan 0.000 0.255 475 P C 1.120 178.464 177.300 0.075 0.000 1.248 475 P CA 0.842 63.960 63.100 0.030 0.000 0.807 475 P CB 0.944 32.659 31.700 0.026 0.000 1.150 476 G N 0.686 109.469 108.800 -0.028 0.000 2.543 476 G HA2 0.380 4.340 3.960 0.000 0.000 0.267 476 G HA3 0.380 4.340 3.960 0.000 0.000 0.267 476 G C -0.737 173.976 174.900 -0.312 0.000 1.406 476 G CA -0.495 44.546 45.100 -0.098 0.000 1.048 476 G HN -0.003 nan 8.290 nan 0.000 0.548 477 L N 1.608 122.581 121.223 -0.417 0.000 2.534 477 L HA 0.232 4.572 4.340 0.000 0.000 0.271 477 L C -1.753 174.907 176.870 -0.350 0.000 1.178 477 L CA -1.390 53.113 54.840 -0.562 0.000 0.907 477 L CB 0.446 42.284 42.059 -0.369 0.000 1.164 477 L HN 0.179 nan 8.230 nan 0.000 0.482 478 P HA -0.082 nan 4.420 nan 0.000 0.255 478 P C -0.922 176.285 177.300 -0.155 0.000 1.151 478 P CA 0.293 63.273 63.100 -0.201 0.000 0.767 478 P CB 0.227 31.909 31.700 -0.031 0.000 0.736 479 L N 6.315 127.368 121.223 -0.284 0.000 2.346 479 L HA 0.533 4.873 4.340 0.000 0.000 0.276 479 L C -1.405 175.265 176.870 -0.334 0.000 1.006 479 L CA -0.789 53.948 54.840 -0.172 0.000 0.817 479 L CB 0.990 42.975 42.059 -0.123 0.000 1.272 479 L HN 0.206 nan 8.230 nan 0.000 0.421 480 Y N 2.207 122.463 120.300 -0.074 0.000 2.341 480 Y HA 0.682 5.232 4.550 0.000 0.000 0.338 480 Y C 0.177 175.964 175.900 -0.189 0.000 0.965 480 Y CA -0.645 57.388 58.100 -0.113 0.000 1.108 480 Y CB 2.115 40.477 38.460 -0.164 0.000 1.180 480 Y HN 0.660 nan 8.280 nan 0.000 0.458 481 T N 1.229 115.764 114.554 -0.032 0.000 2.876 481 T HA 0.671 5.022 4.350 0.000 0.000 0.289 481 T C -1.389 173.049 174.700 -0.437 0.000 1.014 481 T CA -0.829 61.153 62.100 -0.197 0.000 0.986 481 T CB 1.835 70.682 68.868 -0.036 0.000 1.021 481 T HN 0.390 nan 8.240 nan 0.000 0.458 482 L N 2.853 123.625 121.223 -0.751 0.000 2.325 482 L HA 0.651 4.992 4.340 0.000 0.000 0.278 482 L C -0.584 175.598 176.870 -1.147 0.000 1.023 482 L CA -0.191 54.233 54.840 -0.693 0.000 0.811 482 L CB 0.776 42.576 42.059 -0.432 0.000 1.249 482 L HN 0.864 nan 8.230 nan 0.000 0.431 483 H N 1.531 120.336 119.070 -0.442 0.000 2.977 483 H HA 0.518 5.074 4.556 0.000 0.000 0.350 483 H C -1.145 174.091 175.328 -0.154 0.000 1.238 483 H CA -1.010 54.745 56.048 -0.488 0.000 1.124 483 H CB 1.759 30.873 29.762 -1.079 0.000 1.866 483 H HN 0.462 nan 8.280 nan 0.000 0.550 484 S N 0.297 116.082 115.700 0.141 0.000 2.454 484 S HA 0.181 4.651 4.470 0.000 0.000 0.306 484 S C 0.885 175.610 174.600 0.208 0.000 1.100 484 S CA -0.662 57.674 58.200 0.227 0.000 1.087 484 S CB 1.896 65.216 63.200 0.201 0.000 1.019 484 S HN 0.581 nan 8.310 nan 0.000 0.480 485 S N 1.948 117.738 115.700 0.149 0.000 2.355 485 S HA -0.117 4.353 4.470 0.000 0.000 0.222 485 S C 2.116 176.753 174.600 0.061 0.000 1.031 485 S CA 1.176 59.464 58.200 0.146 0.000 0.993 485 S CB -0.488 62.730 63.200 0.030 0.000 0.859 485 S HN 0.592 nan 8.310 nan 0.000 0.453 486 V N 4.220 124.138 119.914 0.007 0.000 2.225 486 V HA -0.288 3.832 4.120 0.000 0.000 0.252 486 V C 1.964 178.062 176.094 0.007 0.000 1.055 486 V CA 2.176 64.478 62.300 0.003 0.000 1.032 486 V CB -1.021 30.800 31.823 -0.003 0.000 0.655 486 V HN 0.754 nan 8.190 nan 0.000 0.458 487 N N -1.496 117.217 118.700 0.021 0.000 2.214 487 N HA -0.021 4.719 4.740 0.000 0.000 0.214 487 N C 0.200 175.726 175.510 0.025 0.000 1.132 487 N CA 0.529 53.588 53.050 0.015 0.000 0.856 487 N CB -0.151 38.346 38.487 0.017 0.000 1.020 487 N HN 0.593 nan 8.380 nan 0.000 0.509 488 D N 0.784 121.220 120.400 0.060 0.000 2.860 488 D HA -0.201 4.439 4.640 0.000 0.000 0.229 488 D C -0.194 176.150 176.300 0.073 0.000 1.169 488 D CA 0.935 54.997 54.000 0.103 0.000 0.737 488 D CB -0.936 39.894 40.800 0.051 0.000 1.080 488 D HN 0.753 nan 8.370 nan 0.000 0.424 489 K N -0.327 120.108 120.400 0.058 0.000 2.440 489 K HA 0.251 4.571 4.320 0.000 0.000 0.270 489 K C 0.856 177.479 176.600 0.039 0.000 0.980 489 K CA 0.480 56.787 56.287 0.034 0.000 0.953 489 K CB 0.598 33.110 32.500 0.019 0.000 0.925 489 K HN 0.005 nan 8.250 nan 0.000 0.497 490 G N 3.611 112.417 108.800 0.010 0.000 3.515 490 G HA2 0.177 4.138 3.960 0.000 0.000 0.288 490 G HA3 0.177 4.138 3.960 0.000 0.000 0.288 490 G C 0.787 175.607 174.900 -0.133 0.000 1.012 490 G CA -0.681 44.400 45.100 -0.032 0.000 1.689 490 G HN 0.669 nan 8.290 nan 0.000 0.572 491 L N 0.187 121.300 121.223 -0.184 0.000 1.987 491 L HA -0.154 4.186 4.340 0.000 0.000 0.230 491 L C 1.932 178.695 176.870 -0.177 0.000 1.089 491 L CA 1.905 56.641 54.840 -0.174 0.000 0.802 491 L CB -0.329 41.606 42.059 -0.207 0.000 0.905 491 L HN 0.702 nan 8.230 nan 0.000 0.441 492 R N -3.178 117.171 120.500 -0.252 0.000 2.835 492 R HA 0.500 4.840 4.340 0.000 0.000 0.271 492 R C -1.582 174.568 176.300 -0.249 0.000 1.013 492 R CA -1.026 54.953 56.100 -0.201 0.000 0.876 492 R CB 1.384 31.594 30.300 -0.150 0.000 1.348 492 R HN -0.235 nan 8.270 nan 0.000 0.453 493 V N 2.031 121.833 119.914 -0.186 0.000 2.427 493 V HA 0.285 4.405 4.120 0.000 0.000 0.286 493 V C 0.991 176.941 176.094 -0.239 0.000 1.034 493 V CA -0.613 61.578 62.300 -0.182 0.000 0.893 493 V CB 1.423 33.185 31.823 -0.102 0.000 0.982 493 V HN 0.603 nan 8.190 nan 0.000 0.452 494 L N 2.259 123.265 121.223 -0.363 0.000 2.463 494 L HA 0.427 4.767 4.340 0.000 0.000 0.219 494 L C 0.451 177.157 176.870 -0.273 0.000 1.088 494 L CA 0.421 54.872 54.840 -0.648 0.000 0.849 494 L CB 0.303 41.391 42.059 -1.619 0.000 1.012 494 L HN 0.720 nan 8.230 nan 0.000 0.468 495 E N 0.789 120.935 120.200 -0.091 0.000 2.748 495 E HA 0.055 4.405 4.350 0.000 0.000 0.320 495 E C -1.501 175.172 176.600 0.121 0.000 0.996 495 E CA -0.263 56.169 56.400 0.054 0.000 0.835 495 E CB 0.829 30.566 29.700 0.061 0.000 1.265 495 E HN 0.190 nan 8.360 nan 0.000 0.420 496 D N 3.629 124.068 120.400 0.065 0.000 2.650 496 D HA 0.119 4.759 4.640 0.000 0.000 0.265 496 D C -0.471 175.838 176.300 0.016 0.000 1.339 496 D CA -0.492 53.529 54.000 0.035 0.000 0.816 496 D CB -0.134 40.666 40.800 -0.001 0.000 1.091 496 D HN 0.461 nan 8.370 nan 0.000 0.483 497 N N 1.664 120.390 118.700 0.043 0.000 2.704 497 N HA -0.210 4.530 4.740 0.000 0.000 0.259 497 N C 1.145 176.654 175.510 -0.001 0.000 0.957 497 N CA 1.018 54.082 53.050 0.022 0.000 0.804 497 N CB -0.788 37.697 38.487 -0.003 0.000 0.917 497 N HN 0.536 nan 8.380 nan 0.000 0.545 498 S N -1.688 114.017 115.700 0.008 0.000 2.481 498 S HA 0.093 4.563 4.470 0.000 0.000 0.231 498 S C 1.913 176.524 174.600 0.018 0.000 0.996 498 S CA 0.499 58.702 58.200 0.004 0.000 0.942 498 S CB 0.249 63.453 63.200 0.006 0.000 0.768 498 S HN 0.486 nan 8.310 nan 0.000 0.520 499 A N 1.803 124.642 122.820 0.031 0.000 1.874 499 A HA 0.229 4.549 4.320 0.000 0.000 0.214 499 A C 2.131 179.754 177.584 0.065 0.000 1.189 499 A CA 1.172 53.237 52.037 0.046 0.000 0.615 499 A CB -0.799 18.231 19.000 0.050 0.000 0.830 499 A HN 0.490 nan 8.150 nan 0.000 0.443 500 L N 0.528 121.789 121.223 0.064 0.000 2.056 500 L HA -0.126 4.214 4.340 0.000 0.000 0.207 500 L C 1.922 178.825 176.870 0.054 0.000 1.078 500 L CA 2.725 57.620 54.840 0.092 0.000 0.749 500 L CB -0.828 41.275 42.059 0.074 0.000 0.901 500 L HN 0.488 nan 8.230 nan 0.000 0.433 501 D N -0.581 119.823 120.400 0.006 0.000 2.133 501 D HA -0.271 4.369 4.640 0.000 0.000 0.192 501 D C 2.133 178.440 176.300 0.013 0.000 1.001 501 D CA 1.474 55.465 54.000 -0.014 0.000 0.844 501 D CB 0.071 40.853 40.800 -0.029 0.000 0.944 501 D HN 0.100 nan 8.370 nan 0.000 0.447 502 K N -0.438 119.981 120.400 0.031 0.000 2.026 502 K HA -0.003 4.317 4.320 0.000 0.000 0.208 502 K C 2.239 178.879 176.600 0.066 0.000 1.048 502 K CA 1.128 57.440 56.287 0.042 0.000 0.929 502 K CB -0.302 32.225 32.500 0.045 0.000 0.713 502 K HN 0.276 nan 8.250 nan 0.000 0.439 503 M N -0.116 119.545 119.600 0.103 0.000 2.202 503 M HA -0.131 4.349 4.480 0.000 0.000 0.262 503 M C 1.128 177.497 176.300 0.115 0.000 1.063 503 M CA 1.237 56.645 55.300 0.179 0.000 1.097 503 M CB -0.179 32.611 32.600 0.315 0.000 1.382 503 M HN 0.020 nan 8.290 nan 0.000 0.413 504 L N -0.289 120.947 121.223 0.020 0.000 2.660 504 L HA -0.035 4.305 4.340 0.000 0.000 0.238 504 L C 0.883 177.738 176.870 -0.025 0.000 1.161 504 L CA 0.002 54.797 54.840 -0.074 0.000 0.937 504 L CB -0.359 41.650 42.059 -0.084 0.000 1.122 504 L HN 0.206 nan 8.230 nan 0.000 0.435 505 Q N 1.468 121.279 119.800 0.017 0.000 2.225 505 Q HA 0.150 4.490 4.340 0.000 0.000 0.259 505 Q C -0.094 175.931 176.000 0.042 0.000 0.872 505 Q CA -0.020 55.798 55.803 0.025 0.000 1.042 505 Q CB 0.250 29.005 28.738 0.029 0.000 1.142 505 Q HN 0.438 nan 8.270 nan 0.000 0.463 506 N N -1.967 116.761 118.700 0.047 0.000 2.471 506 N HA 0.075 4.815 4.740 0.000 0.000 0.253 506 N C -1.190 174.365 175.510 0.076 0.000 1.451 506 N CA -0.001 53.089 53.050 0.068 0.000 1.068 506 N CB 0.014 38.551 38.487 0.084 0.000 1.396 506 N HN 0.013 nan 8.380 nan 0.000 0.524 507 V N 0.509 120.447 119.914 0.041 0.000 2.817 507 V HA 0.400 4.520 4.120 0.000 0.000 0.303 507 V C -1.451 174.648 176.094 0.009 0.000 1.151 507 V CA -0.344 61.976 62.300 0.033 0.000 0.929 507 V CB 2.512 34.307 31.823 -0.045 0.000 1.030 507 V HN 0.080 nan 8.190 nan 0.000 0.427 508 Q N 6.211 126.028 119.800 0.028 0.000 2.381 508 Q HA 0.462 4.802 4.340 0.000 0.000 0.243 508 Q C -0.160 175.811 176.000 -0.049 0.000 1.154 508 Q CA 0.215 56.009 55.803 -0.015 0.000 0.899 508 Q CB 0.587 29.323 28.738 -0.003 0.000 1.396 508 Q HN 0.654 nan 8.270 nan 0.000 0.485 509 M N 4.105 123.658 119.600 -0.078 0.000 2.288 509 M HA 0.438 4.918 4.480 0.000 0.000 0.334 509 M C -2.012 174.208 176.300 -0.132 0.000 1.150 509 M CA -2.416 52.821 55.300 -0.105 0.000 1.118 509 M CB 0.418 32.958 32.600 -0.101 0.000 1.501 509 M HN 0.340 nan 8.290 nan 0.000 0.462 510 P HA 0.361 nan 4.420 nan 0.000 0.280 510 P C -0.938 176.265 177.300 -0.161 0.000 1.272 510 P CA -0.402 62.594 63.100 -0.174 0.000 0.819 510 P CB 0.921 32.506 31.700 -0.192 0.000 1.122 511 S N -0.784 114.814 115.700 -0.170 0.000 2.704 511 S HA 0.615 5.085 4.470 0.000 0.000 0.305 511 S C -0.489 174.010 174.600 -0.168 0.000 1.107 511 S CA -0.758 57.359 58.200 -0.138 0.000 0.993 511 S CB 1.637 64.772 63.200 -0.109 0.000 1.110 511 S HN 0.507 nan 8.310 nan 0.000 0.534 512 K N 0.497 120.820 120.400 -0.128 0.000 2.345 512 K HA 0.391 4.711 4.320 0.000 0.000 0.255 512 K C -1.334 175.203 176.600 -0.106 0.000 0.934 512 K CA -0.601 55.609 56.287 -0.129 0.000 0.801 512 K CB 1.156 33.594 32.500 -0.104 0.000 1.137 512 K HN 0.562 nan 8.250 nan 0.000 0.424 513 K N 5.986 126.308 120.400 -0.130 0.000 2.339 513 K HA 0.253 4.573 4.320 0.000 0.000 0.264 513 K C -1.503 175.033 176.600 -0.107 0.000 0.986 513 K CA -0.626 55.596 56.287 -0.109 0.000 0.866 513 K CB 0.991 33.402 32.500 -0.148 0.000 1.103 513 K HN 0.615 nan 8.250 nan 0.000 0.441 514 L N 4.861 126.056 121.223 -0.045 0.000 2.298 514 L HA 0.467 4.807 4.340 0.000 0.000 0.284 514 L C -0.862 176.043 176.870 0.058 0.000 1.013 514 L CA 0.215 55.064 54.840 0.014 0.000 0.824 514 L CB 0.989 43.111 42.059 0.105 0.000 1.221 514 L HN 0.797 nan 8.230 nan 0.000 0.418 515 D N 3.636 123.927 120.400 -0.183 0.000 2.895 515 D HA 0.517 5.157 4.640 0.000 0.000 0.320 515 D C -1.227 174.916 176.300 -0.261 0.000 1.249 515 D CA 0.059 53.944 54.000 -0.193 0.000 0.997 515 D CB 2.218 42.856 40.800 -0.269 0.000 1.430 515 D HN 0.294 nan 8.370 nan 0.000 0.558 516 F N -0.154 119.576 119.950 -0.366 0.000 2.950 516 F HA 0.762 5.289 4.527 0.000 0.000 0.327 516 F C -1.257 174.720 175.800 0.296 0.000 1.197 516 F CA -1.001 56.916 58.000 -0.140 0.000 0.954 516 F CB 0.665 39.030 39.000 -1.058 0.000 1.442 516 F HN 0.319 nan 8.300 nan 0.000 0.509 517 I N -0.442 120.158 120.570 0.049 0.000 2.908 517 I HA 0.550 4.720 4.170 0.000 0.000 0.300 517 I C -1.881 174.358 176.117 0.203 0.000 1.385 517 I CA -1.133 60.137 61.300 -0.049 0.000 1.004 517 I CB 2.368 40.417 38.000 0.081 0.000 1.309 517 I HN 0.510 nan 8.210 nan 0.000 0.449 518 I N 4.687 125.330 120.570 0.121 0.000 2.359 518 I HA 0.569 4.739 4.170 0.000 0.000 0.294 518 I C -0.375 175.865 176.117 0.205 0.000 0.987 518 I CA -0.637 60.794 61.300 0.219 0.000 1.225 518 I CB 1.334 39.425 38.000 0.152 0.000 1.366 518 I HN 0.489 nan 8.210 nan 0.000 0.466 519 L N 5.774 127.181 121.223 0.307 0.000 2.431 519 L HA 0.440 4.780 4.340 0.000 0.000 0.266 519 L C 0.264 177.272 176.870 0.230 0.000 0.978 519 L CA -0.788 54.186 54.840 0.223 0.000 0.822 519 L CB 1.732 43.913 42.059 0.203 0.000 1.310 519 L HN 0.553 nan 8.230 nan 0.000 0.409 520 N N 2.359 121.133 118.700 0.122 0.000 2.716 520 N HA -0.246 4.494 4.740 0.000 0.000 0.250 520 N C 0.630 176.202 175.510 0.103 0.000 1.033 520 N CA 1.473 54.580 53.050 0.094 0.000 0.727 520 N CB -0.525 38.012 38.487 0.085 0.000 0.950 520 N HN 0.873 nan 8.380 nan 0.000 0.541 521 E N -2.862 117.399 120.200 0.101 0.000 3.916 521 E HA -0.186 4.164 4.350 0.000 0.000 0.331 521 E C -0.713 175.943 176.600 0.093 0.000 0.729 521 E CA 1.924 58.375 56.400 0.085 0.000 1.222 521 E CB -1.092 28.642 29.700 0.056 0.000 1.633 521 E HN 0.546 nan 8.360 nan 0.000 0.437 522 T N 0.499 115.135 114.554 0.135 0.000 2.918 522 T HA 0.533 4.883 4.350 0.000 0.000 0.286 522 T C -0.532 174.215 174.700 0.078 0.000 1.026 522 T CA -0.492 61.639 62.100 0.050 0.000 1.031 522 T CB 1.311 70.166 68.868 -0.023 0.000 1.046 522 T HN 0.206 nan 8.240 nan 0.000 0.479 523 K N 1.828 122.189 120.400 -0.065 0.000 2.206 523 K HA 0.619 4.939 4.320 0.000 0.000 0.264 523 K C -1.542 174.971 176.600 -0.145 0.000 0.967 523 K CA -0.620 55.736 56.287 0.115 0.000 0.844 523 K CB 1.088 33.686 32.500 0.163 0.000 1.099 523 K HN 0.357 nan 8.250 nan 0.000 0.441 524 F N 1.487 121.617 119.950 0.300 0.000 2.529 524 F HA 0.387 4.914 4.527 0.000 0.000 0.320 524 F C -0.644 175.356 175.800 0.333 0.000 1.118 524 F CA -0.713 57.435 58.000 0.248 0.000 0.915 524 F CB 1.155 40.210 39.000 0.091 0.000 1.161 524 F HN 0.535 nan 8.300 nan 0.000 0.445 525 W N 2.854 124.344 121.300 0.318 0.000 2.253 525 W HA 0.545 5.205 4.660 0.000 0.000 0.348 525 W C -0.702 176.071 176.519 0.423 0.000 1.229 525 W CA -0.570 56.996 57.345 0.369 0.000 1.335 525 W CB 0.459 30.034 29.460 0.192 0.000 1.165 525 W HN 0.431 nan 8.180 nan 0.000 0.631 526 Y N -0.971 119.698 120.300 0.614 0.000 2.609 526 Y HA 0.572 5.122 4.550 0.000 0.000 0.336 526 Y C -1.055 175.065 175.900 0.367 0.000 1.129 526 Y CA -1.965 56.477 58.100 0.570 0.000 1.040 526 Y CB 0.914 39.880 38.460 0.843 0.000 1.310 526 Y HN 0.565 nan 8.280 nan 0.000 0.460 527 Q N 2.536 122.505 119.800 0.282 0.000 2.423 527 Q HA 0.823 5.163 4.340 0.000 0.000 0.278 527 Q C -1.794 174.256 176.000 0.085 0.000 1.097 527 Q CA -1.175 54.675 55.803 0.077 0.000 0.809 527 Q CB 3.407 32.189 28.738 0.073 0.000 1.391 527 Q HN 0.872 nan 8.270 nan 0.000 0.428 528 M N 2.208 121.788 119.600 -0.033 0.000 2.386 528 M HA 0.442 4.922 4.480 0.000 0.000 0.293 528 M C -1.243 174.951 176.300 -0.178 0.000 1.120 528 M CA -0.951 54.282 55.300 -0.110 0.000 0.909 528 M CB 2.403 34.891 32.600 -0.187 0.000 1.661 528 M HN 0.607 nan 8.290 nan 0.000 0.452 529 I N 4.877 125.340 120.570 -0.179 0.000 2.282 529 I HA 0.330 4.500 4.170 0.000 0.000 0.290 529 I C -0.421 175.513 176.117 -0.306 0.000 1.090 529 I CA -0.237 60.937 61.300 -0.209 0.000 1.231 529 I CB -0.162 37.742 38.000 -0.159 0.000 1.434 529 I HN 0.620 nan 8.210 nan 0.000 0.487 530 L N 8.038 129.019 121.223 -0.403 0.000 2.326 530 L HA 0.380 4.720 4.340 0.000 0.000 0.278 530 L C -2.010 174.624 176.870 -0.393 0.000 1.092 530 L CA -1.602 52.886 54.840 -0.587 0.000 0.810 530 L CB 0.644 42.161 42.059 -0.903 0.000 1.153 530 L HN 0.227 nan 8.230 nan 0.000 0.439 531 P HA 0.089 nan 4.420 nan 0.000 0.272 531 P C -2.541 174.664 177.300 -0.159 0.000 1.254 531 P CA -0.956 62.018 63.100 -0.211 0.000 0.795 531 P CB -0.180 31.430 31.700 -0.150 0.000 1.022 532 P HA 0.050 nan 4.420 nan 0.000 0.271 532 P C -0.496 176.569 177.300 -0.391 0.000 1.220 532 P CA 0.728 63.575 63.100 -0.421 0.000 0.768 532 P CB -0.209 31.188 31.700 -0.505 0.000 0.848 533 H N 0.465 119.575 119.070 0.065 0.000 2.899 533 H HA -0.204 4.353 4.556 0.000 0.000 0.282 533 H C 0.091 175.484 175.328 0.108 0.000 1.198 533 H CA -0.079 56.011 56.048 0.070 0.000 1.140 533 H CB -2.490 27.305 29.762 0.055 0.000 1.317 533 H HN 0.445 nan 8.280 nan 0.000 0.375 534 F N 3.616 123.559 119.950 -0.012 0.000 2.236 534 F HA -0.024 4.503 4.527 0.000 0.000 0.314 534 F C 0.572 176.420 175.800 0.079 0.000 1.139 534 F CA -0.087 57.874 58.000 -0.065 0.000 0.833 534 F CB -0.016 38.825 39.000 -0.264 0.000 0.886 534 F HN 0.159 nan 8.300 nan 0.000 0.533 535 D N 5.884 126.228 120.400 -0.093 0.000 2.352 535 D HA 0.020 4.660 4.640 0.000 0.000 0.245 535 D C 1.112 177.176 176.300 -0.393 0.000 1.224 535 D CA -0.307 53.565 54.000 -0.214 0.000 0.879 535 D CB 0.711 41.484 40.800 -0.045 0.000 1.057 535 D HN 0.705 nan 8.370 nan 0.000 0.491 536 K N 1.372 121.413 120.400 -0.598 0.000 2.520 536 K HA -0.110 4.210 4.320 0.000 0.000 0.197 536 K C 1.252 177.817 176.600 -0.059 0.000 1.044 536 K CA 0.678 56.745 56.287 -0.366 0.000 0.938 536 K CB 0.006 32.391 32.500 -0.192 0.000 0.767 536 K HN 0.085 nan 8.250 nan 0.000 0.481 537 S N 0.683 116.326 115.700 -0.094 0.000 2.377 537 S HA -0.002 4.468 4.470 0.000 0.000 0.223 537 S C 0.634 175.184 174.600 -0.083 0.000 1.030 537 S CA 0.484 58.647 58.200 -0.062 0.000 0.970 537 S CB 0.068 63.227 63.200 -0.068 0.000 0.830 537 S HN 0.310 nan 8.310 nan 0.000 0.473 538 K N 1.375 121.676 120.400 -0.163 0.000 2.187 538 K HA 0.176 4.496 4.320 0.000 0.000 0.247 538 K C -0.235 176.196 176.600 -0.281 0.000 1.019 538 K CA 0.113 56.221 56.287 -0.299 0.000 0.893 538 K CB 0.262 32.432 32.500 -0.550 0.000 1.025 538 K HN -0.079 nan 8.250 nan 0.000 0.500 539 K N 2.376 122.591 120.400 -0.308 0.000 2.389 539 K HA 0.232 4.552 4.320 0.000 0.000 0.261 539 K C -1.032 175.453 176.600 -0.192 0.000 1.014 539 K CA -0.328 55.869 56.287 -0.149 0.000 0.920 539 K CB 0.642 33.081 32.500 -0.102 0.000 1.149 539 K HN 0.404 nan 8.250 nan 0.000 0.444 540 Y N 3.092 123.444 120.300 0.085 0.000 2.320 540 Y HA 0.267 4.817 4.550 0.000 0.000 0.324 540 Y C -1.684 174.172 175.900 -0.072 0.000 1.190 540 Y CA -2.215 55.908 58.100 0.039 0.000 1.215 540 Y CB 0.666 39.216 38.460 0.149 0.000 1.221 540 Y HN 0.398 nan 8.280 nan 0.000 0.486 541 P HA 0.214 nan 4.420 nan 0.000 0.285 541 P C -1.171 175.982 177.300 -0.245 0.000 1.259 541 P CA -0.230 62.618 63.100 -0.420 0.000 0.794 541 P CB 1.698 32.866 31.700 -0.887 0.000 0.940 542 L N 4.228 125.363 121.223 -0.147 0.000 2.365 542 L HA 0.548 4.888 4.340 0.000 0.000 0.273 542 L C -1.196 175.825 176.870 0.253 0.000 1.000 542 L CA -1.167 53.712 54.840 0.065 0.000 0.819 542 L CB 1.687 43.813 42.059 0.112 0.000 1.284 542 L HN 0.291 nan 8.230 nan 0.000 0.418 543 L N 5.564 126.961 121.223 0.289 0.000 2.305 543 L HA 0.433 4.773 4.340 0.000 0.000 0.284 543 L C -1.186 175.911 176.870 0.377 0.000 1.013 543 L CA -0.882 54.194 54.840 0.393 0.000 0.819 543 L CB 1.800 44.047 42.059 0.313 0.000 1.227 543 L HN 0.632 nan 8.230 nan 0.000 0.417 544 L N 5.197 126.690 121.223 0.450 0.000 2.268 544 L HA 0.322 4.662 4.340 0.000 0.000 0.289 544 L C -0.222 176.897 176.870 0.415 0.000 1.064 544 L CA 0.018 55.116 54.840 0.430 0.000 0.824 544 L CB 0.721 43.072 42.059 0.487 0.000 1.202 544 L HN 0.477 nan 8.230 nan 0.000 0.433 545 D N 4.066 124.713 120.400 0.413 0.000 2.343 545 D HA 0.254 4.894 4.640 0.000 0.000 0.255 545 D C -0.864 175.569 176.300 0.222 0.000 1.187 545 D CA 0.287 54.506 54.000 0.365 0.000 0.875 545 D CB 1.234 42.287 40.800 0.422 0.000 1.136 545 D HN 0.356 nan 8.370 nan 0.000 0.469 546 V N 5.108 125.069 119.914 0.078 0.000 3.078 546 V HA 0.494 4.614 4.120 0.000 0.000 0.311 546 V C -1.188 175.001 176.094 0.159 0.000 1.138 546 V CA -0.445 61.946 62.300 0.151 0.000 1.007 546 V CB 2.025 33.940 31.823 0.152 0.000 1.045 546 V HN 0.679 nan 8.190 nan 0.000 0.432 547 Y N 4.194 124.572 120.300 0.131 0.000 3.087 547 Y HA 0.526 5.076 4.550 0.000 0.000 0.227 547 Y C 1.543 177.592 175.900 0.248 0.000 1.015 547 Y CA 1.071 59.274 58.100 0.172 0.000 1.399 547 Y CB 0.233 38.774 38.460 0.135 0.000 1.483 547 Y HN 1.226 nan 8.280 nan 0.000 0.420 548 A N 1.533 124.482 122.820 0.216 0.000 2.771 548 A HA -0.182 4.139 4.320 0.000 0.000 0.294 548 A C 0.826 178.308 177.584 -0.170 0.000 1.500 548 A CA 1.086 53.199 52.037 0.126 0.000 0.829 548 A CB -2.278 16.837 19.000 0.191 0.000 0.998 548 A HN 0.856 nan 8.150 nan 0.000 0.526 549 G N -1.154 107.372 108.800 -0.457 0.000 2.572 549 G HA2 0.511 4.471 3.960 0.000 0.000 0.261 549 G HA3 0.511 4.471 3.960 0.000 0.000 0.261 549 G C -2.344 172.306 174.900 -0.417 0.000 1.197 549 G CA -1.305 43.145 45.100 -1.082 0.000 0.870 549 G HN 0.265 nan 8.290 nan 0.000 0.548 550 P HA 0.029 nan 4.420 nan 0.000 0.258 550 P C 0.604 177.800 177.300 -0.174 0.000 1.172 550 P CA 0.293 63.148 63.100 -0.408 0.000 0.762 550 P CB 0.501 31.572 31.700 -1.048 0.000 0.764 551 C N 2.977 122.215 119.300 -0.102 0.000 4.432 551 C HA -0.148 4.312 4.460 0.000 0.000 0.294 551 C C 0.959 175.975 174.990 0.042 0.000 1.398 551 C CA 1.035 59.948 59.018 -0.175 0.000 1.988 551 C CB -2.708 24.765 27.740 -0.445 0.000 1.251 551 C HN 0.769 nan 8.230 nan 0.000 0.791 552 S N -0.147 115.648 115.700 0.158 0.000 2.707 552 S HA 0.688 5.158 4.470 0.000 0.000 0.276 552 S C -0.631 174.146 174.600 0.296 0.000 1.179 552 S CA 0.111 58.497 58.200 0.310 0.000 0.992 552 S CB 1.711 65.169 63.200 0.430 0.000 1.030 552 S HN 0.917 nan 8.310 nan 0.000 0.554 553 Q N -0.330 119.661 119.800 0.319 0.000 2.487 553 Q HA 0.301 4.641 4.340 0.000 0.000 0.234 553 Q C -1.038 175.093 176.000 0.219 0.000 0.828 553 Q CA -0.544 55.434 55.803 0.291 0.000 0.907 553 Q CB 0.952 29.917 28.738 0.379 0.000 1.462 553 Q HN 0.634 nan 8.270 nan 0.000 0.442 554 K N 0.818 121.347 120.400 0.214 0.000 2.358 554 K HA 0.347 4.667 4.320 0.000 0.000 0.197 554 K C -0.297 176.405 176.600 0.170 0.000 1.025 554 K CA 0.359 56.760 56.287 0.189 0.000 1.104 554 K CB 1.415 34.058 32.500 0.238 0.000 0.855 554 K HN 0.486 nan 8.250 nan 0.000 0.531 555 A N 2.516 125.441 122.820 0.175 0.000 2.256 555 A HA 0.482 4.802 4.320 0.000 0.000 0.317 555 A C -0.785 176.848 177.584 0.082 0.000 1.318 555 A CA -0.502 51.630 52.037 0.159 0.000 0.894 555 A CB 0.165 19.313 19.000 0.246 0.000 1.165 555 A HN 0.265 nan 8.150 nan 0.000 0.525 556 D N -0.259 120.160 120.400 0.031 0.000 2.768 556 D HA 0.400 5.040 4.640 0.000 0.000 0.327 556 D C 0.354 176.628 176.300 -0.043 0.000 1.302 556 D CA 0.247 54.241 54.000 -0.011 0.000 0.897 556 D CB 0.300 41.074 40.800 -0.043 0.000 1.420 556 D HN 0.182 nan 8.370 nan 0.000 0.494 557 T N -2.269 112.263 114.554 -0.036 0.000 3.163 557 T HA 0.297 4.647 4.350 0.000 0.000 0.252 557 T C 0.437 175.066 174.700 -0.117 0.000 1.056 557 T CA -0.363 61.720 62.100 -0.029 0.000 0.947 557 T CB -0.613 68.287 68.868 0.054 0.000 1.016 557 T HN 0.281 nan 8.240 nan 0.000 0.554 558 V N 2.590 122.324 119.914 -0.299 0.000 2.637 558 V HA 0.284 4.404 4.120 0.000 0.000 0.296 558 V C 0.102 176.119 176.094 -0.128 0.000 1.046 558 V CA -0.854 61.244 62.300 -0.337 0.000 1.066 558 V CB 0.014 31.519 31.823 -0.530 0.000 0.968 558 V HN 0.590 nan 8.190 nan 0.000 0.483 559 F N 6.592 126.436 119.950 -0.177 0.000 2.424 559 F HA 0.576 5.103 4.527 0.000 0.000 0.356 559 F C 0.482 176.223 175.800 -0.098 0.000 1.110 559 F CA -0.180 57.746 58.000 -0.123 0.000 1.161 559 F CB 0.220 39.156 39.000 -0.106 0.000 1.115 559 F HN 0.437 nan 8.300 nan 0.000 0.507 560 R N 6.250 126.273 120.500 -0.795 0.000 2.837 560 R HA 0.611 4.951 4.340 0.000 0.000 0.271 560 R C -1.627 174.262 176.300 -0.685 0.000 0.993 560 R CA -1.176 54.612 56.100 -0.520 0.000 0.931 560 R CB 2.270 32.425 30.300 -0.241 0.000 1.206 560 R HN 0.680 nan 8.270 nan 0.000 0.474 561 L N 3.295 124.335 121.223 -0.304 0.000 2.454 561 L HA 0.377 4.717 4.340 0.000 0.000 0.258 561 L C -0.416 176.482 176.870 0.046 0.000 1.025 561 L CA -0.309 54.390 54.840 -0.235 0.000 0.901 561 L CB 0.651 42.689 42.059 -0.036 0.000 1.210 561 L HN 0.829 nan 8.230 nan 0.000 0.457 562 N N -0.780 117.872 118.700 -0.080 0.000 3.513 562 N HA 0.228 4.968 4.740 0.000 0.000 0.351 562 N C 0.328 175.508 175.510 -0.550 0.000 1.624 562 N CA -0.881 51.985 53.050 -0.307 0.000 0.712 562 N CB 0.608 39.025 38.487 -0.117 0.000 2.106 562 N HN 0.224 nan 8.380 nan 0.000 0.649 563 W N 0.936 121.629 121.300 -1.011 0.000 2.335 563 W HA 0.043 4.703 4.660 0.000 0.000 0.311 563 W C 2.450 178.946 176.519 -0.037 0.000 1.213 563 W CA 2.415 59.453 57.345 -0.512 0.000 1.274 563 W CB -0.932 28.381 29.460 -0.244 0.000 1.148 563 W HN 0.685 nan 8.180 nan 0.000 0.498 564 A N -0.446 122.394 122.820 0.034 0.000 1.908 564 A HA -0.236 4.084 4.320 0.000 0.000 0.218 564 A C 1.958 179.474 177.584 -0.113 0.000 1.181 564 A CA 2.719 54.699 52.037 -0.094 0.000 0.627 564 A CB -1.376 17.628 19.000 0.006 0.000 0.818 564 A HN 0.306 nan 8.150 nan 0.000 0.445 565 T N -1.047 113.464 114.554 -0.072 0.000 2.665 565 T HA -0.263 4.087 4.350 0.000 0.000 0.268 565 T C 1.796 176.580 174.700 0.141 0.000 1.035 565 T CA 1.953 63.995 62.100 -0.097 0.000 1.151 565 T CB -0.556 68.090 68.868 -0.370 0.000 0.862 565 T HN 0.716 nan 8.240 nan 0.000 0.438 566 Y N 1.964 122.404 120.300 0.235 0.000 2.145 566 Y HA -0.038 4.512 4.550 0.000 0.000 0.286 566 Y C 2.021 177.904 175.900 -0.029 0.000 1.145 566 Y CA 0.959 59.166 58.100 0.178 0.000 1.148 566 Y CB -0.777 37.741 38.460 0.096 0.000 0.981 566 Y HN 0.121 nan 8.280 nan 0.000 0.507 567 L N 0.387 121.141 121.223 -0.782 0.000 2.012 567 L HA -0.248 4.092 4.340 0.000 0.000 0.210 567 L C 2.861 179.453 176.870 -0.462 0.000 1.073 567 L CA 1.483 55.798 54.840 -0.874 0.000 0.748 567 L CB -1.028 40.602 42.059 -0.715 0.000 0.891 567 L HN 0.443 nan 8.230 nan 0.000 0.431 568 A N -1.317 121.324 122.820 -0.299 0.000 1.872 568 A HA -0.186 4.134 4.320 0.000 0.000 0.214 568 A C 2.518 180.003 177.584 -0.164 0.000 1.187 568 A CA 1.801 53.709 52.037 -0.215 0.000 0.614 568 A CB -0.641 18.234 19.000 -0.208 0.000 0.826 568 A HN 0.344 nan 8.150 nan 0.000 0.442 569 S N -1.335 114.292 115.700 -0.122 0.000 2.355 569 S HA -0.113 4.357 4.470 0.000 0.000 0.222 569 S C 2.003 176.587 174.600 -0.026 0.000 1.031 569 S CA 2.262 60.436 58.200 -0.043 0.000 0.993 569 S CB -0.347 62.895 63.200 0.070 0.000 0.859 569 S HN 0.577 nan 8.310 nan 0.000 0.453 570 T N 1.064 115.572 114.554 -0.076 0.000 3.021 570 T HA 0.182 4.532 4.350 0.000 0.000 0.245 570 T C 1.356 175.992 174.700 -0.106 0.000 1.028 570 T CA 0.483 62.555 62.100 -0.047 0.000 1.139 570 T CB -0.080 68.827 68.868 0.065 0.000 0.884 570 T HN 0.279 nan 8.240 nan 0.000 0.457 571 E N 1.593 121.633 120.200 -0.267 0.000 2.479 571 E HA 0.150 4.500 4.350 0.000 0.000 0.193 571 E C 0.247 176.802 176.600 -0.074 0.000 1.049 571 E CA -0.065 56.235 56.400 -0.167 0.000 0.870 571 E CB -0.137 29.408 29.700 -0.259 0.000 0.944 571 E HN 0.334 nan 8.360 nan 0.000 0.492 572 N N 0.650 119.305 118.700 -0.074 0.000 2.725 572 N HA -0.212 4.528 4.740 0.000 0.000 0.249 572 N C -0.379 175.143 175.510 0.020 0.000 1.103 572 N CA 0.691 53.745 53.050 0.008 0.000 0.707 572 N CB -1.538 37.017 38.487 0.113 0.000 1.043 572 N HN 0.299 nan 8.380 nan 0.000 0.553 573 I N 1.066 121.593 120.570 -0.071 0.000 2.440 573 I HA 0.269 4.439 4.170 0.000 0.000 0.294 573 I C 1.091 177.140 176.117 -0.114 0.000 0.995 573 I CA -0.537 60.729 61.300 -0.057 0.000 1.306 573 I CB 1.087 39.070 38.000 -0.029 0.000 1.407 573 I HN -0.070 nan 8.210 nan 0.000 0.501 574 I N 6.315 126.828 120.570 -0.095 0.000 2.337 574 I HA 0.169 4.339 4.170 0.000 0.000 0.291 574 I C -0.439 175.637 176.117 -0.068 0.000 1.046 574 I CA -0.433 60.773 61.300 -0.156 0.000 1.324 574 I CB 1.025 38.936 38.000 -0.149 0.000 1.409 574 I HN 0.209 nan 8.210 nan 0.000 0.494 575 V N 6.756 126.619 119.914 -0.085 0.000 2.370 575 V HA 0.667 4.787 4.120 0.000 0.000 0.279 575 V C 0.341 176.448 176.094 0.022 0.000 1.029 575 V CA -0.382 61.924 62.300 0.010 0.000 0.870 575 V CB 1.147 32.972 31.823 0.003 0.000 0.984 575 V HN 0.833 nan 8.190 nan 0.000 0.451 576 A N 4.035 126.912 122.820 0.095 0.000 2.413 576 A HA 0.955 5.275 4.320 0.000 0.000 0.307 576 A C -0.345 177.390 177.584 0.253 0.000 1.087 576 A CA -0.541 51.554 52.037 0.096 0.000 0.750 576 A CB 2.002 20.938 19.000 -0.108 0.000 1.296 576 A HN 0.686 nan 8.150 nan 0.000 0.423 577 S N -0.331 115.555 115.700 0.310 0.000 2.569 577 S HA 0.812 5.282 4.470 0.000 0.000 0.280 577 S C -1.499 173.453 174.600 0.587 0.000 1.111 577 S CA -0.321 58.118 58.200 0.398 0.000 0.887 577 S CB 1.444 64.824 63.200 0.301 0.000 1.095 577 S HN 0.860 nan 8.310 nan 0.000 0.476 578 F N 1.592 121.785 119.950 0.405 0.000 2.574 578 F HA 0.421 4.948 4.527 0.000 0.000 0.313 578 F C -1.641 174.385 175.800 0.375 0.000 1.130 578 F CA -0.659 57.618 58.000 0.463 0.000 0.936 578 F CB 1.451 40.738 39.000 0.479 0.000 1.219 578 F HN 0.419 nan 8.300 nan 0.000 0.445 579 D N 4.359 124.647 120.400 -0.186 0.000 2.359 579 D HA 0.433 5.073 4.640 0.000 0.000 0.230 579 D C 0.198 176.317 176.300 -0.302 0.000 1.118 579 D CA 0.161 54.122 54.000 -0.065 0.000 0.844 579 D CB 1.776 42.642 40.800 0.110 0.000 1.059 579 D HN 0.783 nan 8.370 nan 0.000 0.493 580 G N 1.521 110.277 108.800 -0.074 0.000 2.971 580 G HA2 0.349 4.309 3.960 0.000 0.000 0.235 580 G HA3 0.349 4.309 3.960 0.000 0.000 0.235 580 G C -0.015 174.972 174.900 0.146 0.000 1.351 580 G CA -0.764 44.297 45.100 -0.065 0.000 1.039 580 G HN 0.308 nan 8.290 nan 0.000 0.563 581 R N -0.708 119.837 120.500 0.075 0.000 2.583 581 R HA 0.344 4.684 4.340 0.000 0.000 0.274 581 R C 1.297 177.716 176.300 0.200 0.000 0.998 581 R CA 1.684 57.908 56.100 0.207 0.000 1.081 581 R CB 0.343 30.714 30.300 0.118 0.000 0.940 581 R HN 1.155 nan 8.270 nan 0.000 0.413 582 G N 1.244 110.151 108.800 0.179 0.000 2.213 582 G HA2 -0.324 3.636 3.960 0.000 0.000 0.236 582 G HA3 -0.324 3.636 3.960 0.000 0.000 0.236 582 G C 0.138 175.084 174.900 0.077 0.000 0.991 582 G CA 0.189 45.374 45.100 0.141 0.000 0.629 582 G HN 0.733 nan 8.290 nan 0.000 0.517 583 S N 0.163 115.921 115.700 0.097 0.000 2.614 583 S HA 0.702 5.172 4.470 0.000 0.000 0.265 583 S C 0.801 175.389 174.600 -0.020 0.000 1.303 583 S CA 0.441 58.685 58.200 0.074 0.000 1.000 583 S CB 1.849 65.130 63.200 0.136 0.000 0.935 583 S HN 1.655 nan 8.310 nan 0.000 0.551 584 G N -0.974 107.759 108.800 -0.111 0.000 2.552 584 G HA2 0.516 4.476 3.960 0.000 0.000 0.318 584 G HA3 0.516 4.476 3.960 0.000 0.000 0.318 584 G C -1.100 173.586 174.900 -0.358 0.000 1.240 584 G CA -1.035 43.801 45.100 -0.440 0.000 1.002 584 G HN 0.971 nan 8.290 nan 0.000 0.493 585 Y N -2.349 117.953 120.300 0.003 0.000 4.569 585 Y HA -0.198 4.352 4.550 0.000 0.000 0.237 585 Y C 1.158 177.070 175.900 0.020 0.000 1.090 585 Y CA 0.843 58.952 58.100 0.014 0.000 2.052 585 Y CB -2.367 36.118 38.460 0.041 0.000 1.621 585 Y HN 0.577 nan 8.280 nan 0.000 0.682 586 Q N -0.251 119.566 119.800 0.028 0.000 2.023 586 Q HA 0.509 4.849 4.340 0.000 0.000 0.221 586 Q C 0.836 176.741 176.000 -0.159 0.000 0.806 586 Q CA 0.129 55.972 55.803 0.066 0.000 1.052 586 Q CB 1.630 30.392 28.738 0.040 0.000 1.229 586 Q HN 0.649 nan 8.270 nan 0.000 0.440 587 G N 0.882 109.429 108.800 -0.421 0.000 2.712 587 G HA2 -0.190 3.770 3.960 0.000 0.000 0.686 587 G HA3 -0.190 3.770 3.960 0.000 0.000 0.686 587 G C -0.355 174.140 174.900 -0.676 0.000 1.321 587 G CA -0.491 44.032 45.100 -0.963 0.000 0.813 587 G HN 0.147 nan 8.290 nan 0.000 0.599 588 D N 0.044 120.012 120.400 -0.719 0.000 2.263 588 D HA -0.065 4.575 4.640 0.000 0.000 0.208 588 D C 2.186 178.198 176.300 -0.481 0.000 0.971 588 D CA 1.218 54.757 54.000 -0.768 0.000 0.867 588 D CB 0.062 40.379 40.800 -0.805 0.000 0.929 588 D HN 0.589 nan 8.370 nan 0.000 0.492 589 K N 0.443 120.627 120.400 -0.360 0.000 2.063 589 K HA -0.123 4.197 4.320 0.000 0.000 0.208 589 K C 2.046 178.571 176.600 -0.125 0.000 1.048 589 K CA 0.887 57.060 56.287 -0.191 0.000 0.928 589 K CB 0.045 32.450 32.500 -0.159 0.000 0.713 589 K HN 0.125 nan 8.250 nan 0.000 0.442 590 I N 0.126 120.606 120.570 -0.151 0.000 2.270 590 I HA -0.211 3.959 4.170 0.000 0.000 0.239 590 I C 2.643 178.750 176.117 -0.018 0.000 1.080 590 I CA 0.685 61.967 61.300 -0.030 0.000 1.383 590 I CB -0.224 37.770 38.000 -0.010 0.000 1.097 590 I HN 0.236 nan 8.210 nan 0.000 0.420 591 M N 0.510 120.025 119.600 -0.142 0.000 2.082 591 M HA -0.285 4.196 4.480 0.000 0.000 0.258 591 M C 1.965 178.305 176.300 0.067 0.000 1.069 591 M CA 2.106 57.346 55.300 -0.099 0.000 1.102 591 M CB -0.422 32.005 32.600 -0.288 0.000 1.336 591 M HN 0.285 nan 8.290 nan 0.000 0.404 592 H N -0.761 118.231 119.070 -0.130 0.000 2.556 592 H HA 0.146 4.702 4.556 0.000 0.000 0.268 592 H C 1.868 177.243 175.328 0.079 0.000 0.996 592 H CA 0.043 56.033 56.048 -0.097 0.000 1.157 592 H CB 0.058 29.661 29.762 -0.265 0.000 1.355 592 H HN 0.543 nan 8.280 nan 0.000 0.597 593 A N 1.588 124.534 122.820 0.210 0.000 1.978 593 A HA -0.160 4.160 4.320 0.000 0.000 0.220 593 A C 2.090 179.939 177.584 0.442 0.000 1.170 593 A CA 1.352 53.534 52.037 0.241 0.000 0.636 593 A CB -0.640 18.454 19.000 0.156 0.000 0.810 593 A HN 0.609 nan 8.150 nan 0.000 0.448 594 I N -3.060 117.733 120.570 0.373 0.000 3.861 594 I HA 0.152 4.322 4.170 0.000 0.000 0.329 594 I C 0.392 176.635 176.117 0.211 0.000 1.321 594 I CA -0.476 60.991 61.300 0.278 0.000 1.126 594 I CB -0.533 37.584 38.000 0.195 0.000 1.018 594 I HN 0.216 nan 8.210 nan 0.000 0.407 595 N N 3.135 122.012 118.700 0.295 0.000 2.357 595 N HA -0.096 4.645 4.740 0.000 0.000 0.257 595 N C 0.219 175.807 175.510 0.130 0.000 1.250 595 N CA 0.400 53.625 53.050 0.291 0.000 0.862 595 N CB 0.360 38.979 38.487 0.220 0.000 1.066 595 N HN 0.433 nan 8.380 nan 0.000 0.468 596 R N 0.635 121.189 120.500 0.090 0.000 3.946 596 R HA -0.201 4.139 4.340 0.000 0.000 0.329 596 R C -0.337 175.963 176.300 -0.000 0.000 1.209 596 R CA 0.828 56.949 56.100 0.034 0.000 0.909 596 R CB -0.865 29.459 30.300 0.040 0.000 1.355 596 R HN 0.562 nan 8.270 nan 0.000 0.539 597 R N 0.346 120.831 120.500 -0.025 0.000 2.647 597 R HA 0.269 4.609 4.340 0.000 0.000 0.295 597 R C -1.111 175.228 176.300 0.065 0.000 1.267 597 R CA -0.510 55.495 56.100 -0.157 0.000 1.386 597 R CB 0.498 30.587 30.300 -0.352 0.000 1.309 597 R HN -0.052 nan 8.270 nan 0.000 0.692 598 L N -0.127 121.184 121.223 0.148 0.000 2.456 598 L HA 0.342 4.682 4.340 0.000 0.000 0.272 598 L C 1.375 178.467 176.870 0.369 0.000 1.189 598 L CA 1.511 56.428 54.840 0.129 0.000 0.846 598 L CB 0.923 42.818 42.059 -0.274 0.000 1.111 598 L HN 0.705 nan 8.230 nan 0.000 0.475 599 G N 1.019 110.061 108.800 0.403 0.000 2.142 599 G HA2 -0.270 3.690 3.960 0.000 0.000 0.225 599 G HA3 -0.270 3.690 3.960 0.000 0.000 0.225 599 G C 0.418 175.392 174.900 0.123 0.000 1.015 599 G CA 0.766 46.051 45.100 0.308 0.000 0.716 599 G HN 0.936 nan 8.290 nan 0.000 0.508 600 T N -3.607 110.963 114.554 0.026 0.000 2.964 600 T HA 0.499 4.849 4.350 0.000 0.000 0.161 600 T C 1.644 176.308 174.700 -0.061 0.000 0.859 600 T CA 0.960 62.967 62.100 -0.155 0.000 1.015 600 T CB -0.022 68.514 68.868 -0.554 0.000 2.138 600 T HN 0.248 nan 8.240 nan 0.000 0.367 601 F N 3.574 123.563 119.950 0.066 0.000 2.120 601 F HA 0.013 4.541 4.527 0.000 0.000 0.300 601 F C 2.836 178.673 175.800 0.061 0.000 1.095 601 F CA 1.450 59.480 58.000 0.049 0.000 1.249 601 F CB -0.930 38.099 39.000 0.048 0.000 0.995 601 F HN 0.552 nan 8.300 nan 0.000 0.480 602 E N 1.069 121.433 120.200 0.274 0.000 2.160 602 E HA -0.157 4.193 4.350 0.000 0.000 0.195 602 E C 2.120 178.828 176.600 0.179 0.000 0.991 602 E CA 1.708 58.240 56.400 0.220 0.000 0.810 602 E CB -1.120 28.717 29.700 0.229 0.000 0.742 602 E HN 0.322 nan 8.360 nan 0.000 0.466 603 V N 1.801 121.794 119.914 0.131 0.000 2.255 603 V HA -0.216 3.904 4.120 0.000 0.000 0.243 603 V C 2.467 178.609 176.094 0.080 0.000 1.038 603 V CA 2.052 64.390 62.300 0.063 0.000 1.008 603 V CB -0.655 31.162 31.823 -0.010 0.000 0.645 603 V HN 0.211 nan 8.190 nan 0.000 0.449 604 E N 0.327 120.581 120.200 0.090 0.000 2.048 604 E HA -0.304 4.046 4.350 0.000 0.000 0.202 604 E C 1.919 178.554 176.600 0.058 0.000 1.021 604 E CA 1.810 58.258 56.400 0.081 0.000 0.825 604 E CB -0.332 29.443 29.700 0.126 0.000 0.756 604 E HN 0.574 nan 8.360 nan 0.000 0.454 605 D N 0.024 120.474 120.400 0.083 0.000 2.311 605 D HA -0.156 4.484 4.640 0.000 0.000 0.212 605 D C 1.873 178.219 176.300 0.076 0.000 0.972 605 D CA 0.910 54.946 54.000 0.060 0.000 0.887 605 D CB -0.107 40.749 40.800 0.094 0.000 0.915 605 D HN 0.099 nan 8.370 nan 0.000 0.497 606 Q N 0.145 120.017 119.800 0.120 0.000 2.033 606 Q HA 0.063 4.404 4.340 0.000 0.000 0.196 606 Q C 2.263 178.320 176.000 0.095 0.000 0.970 606 Q CA 0.667 56.558 55.803 0.147 0.000 0.828 606 Q CB -0.189 28.644 28.738 0.158 0.000 0.895 606 Q HN 0.274 nan 8.270 nan 0.000 0.440 607 I N 0.603 121.248 120.570 0.124 0.000 2.208 607 I HA -0.278 3.892 4.170 0.000 0.000 0.245 607 I C 2.250 178.309 176.117 -0.096 0.000 1.097 607 I CA 1.119 62.502 61.300 0.140 0.000 1.363 607 I CB -0.305 37.763 38.000 0.112 0.000 1.051 607 I HN 0.269 nan 8.210 nan 0.000 0.413 608 E N 1.063 121.168 120.200 -0.158 0.000 2.023 608 E HA -0.252 4.098 4.350 0.000 0.000 0.196 608 E C 2.347 178.627 176.600 -0.533 0.000 1.003 608 E CA 1.670 57.902 56.400 -0.280 0.000 0.809 608 E CB -0.366 29.194 29.700 -0.233 0.000 0.755 608 E HN 0.470 nan 8.360 nan 0.000 0.449 609 A N 1.544 123.893 122.820 -0.784 0.000 1.896 609 A HA -0.283 4.038 4.320 0.000 0.000 0.220 609 A C 2.457 179.141 177.584 -1.499 0.000 1.206 609 A CA 3.097 54.242 52.037 -1.487 0.000 0.647 609 A CB -0.963 17.020 19.000 -1.695 0.000 0.828 609 A HN 0.344 nan 8.150 nan 0.000 0.455 610 A N -0.637 121.782 122.820 -0.668 0.000 1.873 610 A HA -0.229 4.091 4.320 0.000 0.000 0.218 610 A C 2.246 179.579 177.584 -0.418 0.000 1.193 610 A CA 1.760 53.599 52.037 -0.330 0.000 0.629 610 A CB -0.599 18.283 19.000 -0.197 0.000 0.826 610 A HN 0.515 nan 8.150 nan 0.000 0.447 611 R N -0.894 119.361 120.500 -0.409 0.000 2.112 611 R HA -0.243 4.097 4.340 0.000 0.000 0.242 611 R C 2.352 178.445 176.300 -0.344 0.000 1.137 611 R CA 2.118 58.022 56.100 -0.326 0.000 0.944 611 R CB -0.750 29.386 30.300 -0.274 0.000 0.857 611 R HN 0.741 nan 8.270 nan 0.000 0.435 612 Q N -0.542 118.964 119.800 -0.491 0.000 2.364 612 Q HA -0.105 4.235 4.340 0.000 0.000 0.209 612 Q C 1.559 177.361 176.000 -0.331 0.000 0.977 612 Q CA 1.199 56.735 55.803 -0.446 0.000 0.885 612 Q CB 0.053 28.452 28.738 -0.564 0.000 0.941 612 Q HN 0.190 nan 8.270 nan 0.000 0.464 613 F N -1.002 118.776 119.950 -0.287 0.000 2.219 613 F HA -0.007 4.520 4.527 0.000 0.000 0.294 613 F C 2.457 178.070 175.800 -0.312 0.000 1.086 613 F CA 1.028 58.864 58.000 -0.273 0.000 1.330 613 F CB -1.012 37.879 39.000 -0.180 0.000 1.047 613 F HN 0.068 nan 8.300 nan 0.000 0.495 614 S N -0.053 115.598 115.700 -0.081 0.000 2.555 614 S HA -0.146 4.324 4.470 0.000 0.000 0.230 614 S C 1.812 176.296 174.600 -0.194 0.000 0.978 614 S CA 0.649 58.758 58.200 -0.152 0.000 0.934 614 S CB -0.625 62.494 63.200 -0.135 0.000 0.766 614 S HN 0.477 nan 8.310 nan 0.000 0.533 615 K N 0.894 121.181 120.400 -0.189 0.000 2.418 615 K HA 0.195 4.515 4.320 0.000 0.000 0.195 615 K C 1.597 178.087 176.600 -0.184 0.000 1.035 615 K CA 0.460 56.646 56.287 -0.169 0.000 1.003 615 K CB -0.188 32.219 32.500 -0.156 0.000 0.793 615 K HN 0.410 nan 8.250 nan 0.000 0.494 616 M N -0.502 118.923 119.600 -0.291 0.000 2.595 616 M HA 0.107 4.587 4.480 0.000 0.000 0.248 616 M C 1.139 177.199 176.300 -0.400 0.000 1.119 616 M CA 0.905 55.998 55.300 -0.345 0.000 1.079 616 M CB 0.688 33.010 32.600 -0.464 0.000 1.472 616 M HN 0.484 nan 8.290 nan 0.000 0.501 617 G N 0.967 109.541 108.800 -0.376 0.000 2.268 617 G HA2 -0.305 3.655 3.960 0.000 0.000 0.240 617 G HA3 -0.305 3.655 3.960 0.000 0.000 0.240 617 G C 0.477 175.303 174.900 -0.122 0.000 1.010 617 G CA 0.370 45.352 45.100 -0.196 0.000 0.618 617 G HN 0.590 nan 8.290 nan 0.000 0.516 618 F N 0.855 120.891 119.950 0.143 0.000 2.668 618 F HA 0.768 5.295 4.527 0.000 0.000 0.297 618 F C 0.113 176.080 175.800 0.279 0.000 1.124 618 F CA -1.382 56.769 58.000 0.250 0.000 1.353 618 F CB 0.041 39.320 39.000 0.465 0.000 0.992 618 F HN 0.090 nan 8.300 nan 0.000 0.524 619 V N 1.038 120.945 119.914 -0.011 0.000 2.540 619 V HA 0.234 4.354 4.120 0.000 0.000 0.302 619 V C -0.810 175.269 176.094 -0.026 0.000 1.035 619 V CA -0.832 61.483 62.300 0.024 0.000 0.873 619 V CB 1.798 33.574 31.823 -0.080 0.000 0.992 619 V HN 0.098 nan 8.190 nan 0.000 0.428 620 D N 3.787 124.173 120.400 -0.024 0.000 2.365 620 D HA 0.136 4.776 4.640 0.000 0.000 0.237 620 D C 1.035 177.292 176.300 -0.072 0.000 1.190 620 D CA -0.091 53.871 54.000 -0.065 0.000 0.867 620 D CB 0.829 41.574 40.800 -0.093 0.000 1.050 620 D HN 0.437 nan 8.370 nan 0.000 0.491 621 N N 3.259 121.916 118.700 -0.072 0.000 2.348 621 N HA -0.152 4.588 4.740 0.000 0.000 0.185 621 N C 1.055 176.531 175.510 -0.056 0.000 1.019 621 N CA 0.801 53.805 53.050 -0.077 0.000 0.880 621 N CB 0.120 38.558 38.487 -0.080 0.000 0.965 621 N HN 0.538 nan 8.380 nan 0.000 0.437 622 K N 0.328 120.702 120.400 -0.042 0.000 2.432 622 K HA 0.081 4.401 4.320 0.000 0.000 0.196 622 K C 0.187 176.800 176.600 0.022 0.000 1.038 622 K CA 0.461 56.742 56.287 -0.012 0.000 0.986 622 K CB 0.303 32.795 32.500 -0.013 0.000 0.782 622 K HN 0.080 nan 8.250 nan 0.000 0.485 623 R N 1.026 121.512 120.500 -0.024 0.000 2.738 623 R HA 0.324 4.664 4.340 0.000 0.000 0.280 623 R C -0.952 175.332 176.300 -0.026 0.000 1.456 623 R CA -0.086 56.000 56.100 -0.023 0.000 1.612 623 R CB 0.645 30.742 30.300 -0.338 0.000 1.286 623 R HN -0.023 nan 8.270 nan 0.000 0.660 624 I N 1.329 122.003 120.570 0.174 0.000 2.328 624 I HA 0.498 4.668 4.170 0.000 0.000 0.287 624 I C 0.244 176.673 176.117 0.520 0.000 1.012 624 I CA -0.645 60.799 61.300 0.241 0.000 1.195 624 I CB 1.497 39.502 38.000 0.008 0.000 1.350 624 I HN 0.314 nan 8.210 nan 0.000 0.464 625 A N 7.588 130.810 122.820 0.671 0.000 2.282 625 A HA 0.909 5.230 4.320 0.000 0.000 0.324 625 A C -0.784 177.135 177.584 0.559 0.000 1.119 625 A CA -0.657 51.745 52.037 0.607 0.000 0.880 625 A CB 1.989 21.244 19.000 0.425 0.000 1.294 625 A HN 0.725 nan 8.150 nan 0.000 0.493 626 I N 0.066 120.843 120.570 0.344 0.000 2.722 626 I HA 0.622 4.792 4.170 0.000 0.000 0.292 626 I C -2.105 174.219 176.117 0.346 0.000 1.267 626 I CA -0.615 60.801 61.300 0.194 0.000 1.036 626 I CB 1.689 39.438 38.000 -0.418 0.000 1.281 626 I HN 0.950 nan 8.210 nan 0.000 0.423 627 W N 7.289 128.687 121.300 0.164 0.000 3.167 627 W HA 0.847 5.507 4.660 0.000 0.000 0.324 627 W C -1.608 175.042 176.519 0.219 0.000 1.230 627 W CA -1.141 56.320 57.345 0.192 0.000 1.184 627 W CB 1.201 30.830 29.460 0.282 0.000 1.414 627 W HN 0.813 nan 8.180 nan 0.000 0.551 628 G N 1.460 110.145 108.800 -0.193 0.000 2.703 628 G HA2 0.449 4.409 3.960 0.000 0.000 0.294 628 G HA3 0.449 4.409 3.960 0.000 0.000 0.294 628 G C -2.666 172.108 174.900 -0.210 0.000 1.451 628 G CA -0.705 44.142 45.100 -0.421 0.000 0.869 628 G HN 0.595 nan 8.290 nan 0.000 0.516 629 W N 1.612 122.713 121.300 -0.331 0.000 2.570 629 W HA 0.582 5.242 4.660 0.000 0.000 0.337 629 W C 0.947 177.494 176.519 0.046 0.000 1.067 629 W CA 0.456 57.721 57.345 -0.134 0.000 1.229 629 W CB 1.863 31.242 29.460 -0.136 0.000 1.355 629 W HN 1.124 nan 8.180 nan 0.000 0.555 630 S N 2.764 118.695 115.700 0.385 0.000 4.150 630 S HA -0.435 4.036 4.470 0.000 0.000 0.551 630 S C 1.207 175.912 174.600 0.176 0.000 1.874 630 S CA 2.033 60.477 58.200 0.406 0.000 4.241 630 S CB -1.861 61.770 63.200 0.719 0.000 0.292 630 S HN 0.717 nan 8.310 nan 0.000 0.469 631 Y N 2.603 122.930 120.300 0.046 0.000 2.333 631 Y HA 0.097 4.647 4.550 0.000 0.000 0.290 631 Y C 2.330 178.136 175.900 -0.157 0.000 1.144 631 Y CA 2.230 60.218 58.100 -0.186 0.000 1.228 631 Y CB -0.944 37.152 38.460 -0.606 0.000 0.985 631 Y HN 0.497 nan 8.280 nan 0.000 0.542 632 G N -1.101 107.735 108.800 0.060 0.000 2.422 632 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 632 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 632 G C 1.904 176.816 174.900 0.020 0.000 1.140 632 G CA 0.669 45.807 45.100 0.063 0.000 0.775 632 G HN 0.540 nan 8.290 nan 0.000 0.545 633 G N -0.224 108.588 108.800 0.020 0.000 2.403 633 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 633 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 633 G C 1.572 176.481 174.900 0.014 0.000 1.154 633 G CA 0.999 46.098 45.100 -0.001 0.000 0.784 633 G HN 0.382 nan 8.290 nan 0.000 0.538 634 Y N 1.609 121.798 120.300 -0.185 0.000 2.070 634 Y HA -0.176 4.374 4.550 0.000 0.000 0.280 634 Y C 2.779 178.578 175.900 -0.167 0.000 1.148 634 Y CA 1.782 59.722 58.100 -0.266 0.000 1.125 634 Y CB -0.595 37.541 38.460 -0.539 0.000 0.975 634 Y HN 0.027 nan 8.280 nan 0.000 0.492 635 V N -0.357 119.424 119.914 -0.223 0.000 2.343 635 V HA -0.327 3.793 4.120 0.000 0.000 0.247 635 V C 2.311 178.304 176.094 -0.167 0.000 1.051 635 V CA 2.465 64.631 62.300 -0.224 0.000 1.036 635 V CB -1.247 30.586 31.823 0.017 0.000 0.654 635 V HN 0.493 nan 8.190 nan 0.000 0.451 636 T N -0.277 114.230 114.554 -0.079 0.000 2.833 636 T HA -0.153 4.197 4.350 0.000 0.000 0.269 636 T C 2.106 176.796 174.700 -0.018 0.000 1.054 636 T CA 1.751 63.821 62.100 -0.050 0.000 1.135 636 T CB -0.170 68.727 68.868 0.049 0.000 0.869 636 T HN 0.533 nan 8.240 nan 0.000 0.466 637 S N 1.077 116.777 115.700 0.001 0.000 2.362 637 S HA 0.071 4.541 4.470 0.000 0.000 0.221 637 S C 2.103 176.680 174.600 -0.039 0.000 1.032 637 S CA 0.741 58.983 58.200 0.070 0.000 0.973 637 S CB -0.206 63.035 63.200 0.067 0.000 0.849 637 S HN 0.321 nan 8.310 nan 0.000 0.465 638 M N 1.140 120.605 119.600 -0.225 0.000 2.213 638 M HA -0.010 4.470 4.480 0.000 0.000 0.263 638 M C 2.082 178.257 176.300 -0.208 0.000 1.062 638 M CA 0.982 56.126 55.300 -0.260 0.000 1.105 638 M CB -1.224 31.105 32.600 -0.452 0.000 1.385 638 M HN 0.169 nan 8.290 nan 0.000 0.417 639 V N 0.178 119.972 119.914 -0.201 0.000 2.488 639 V HA -0.164 3.956 4.120 0.000 0.000 0.246 639 V C 2.339 178.309 176.094 -0.207 0.000 1.046 639 V CA 1.072 63.273 62.300 -0.164 0.000 1.053 639 V CB -0.395 31.307 31.823 -0.201 0.000 0.679 639 V HN 0.392 nan 8.190 nan 0.000 0.458 640 L N 0.292 121.332 121.223 -0.305 0.000 2.465 640 L HA 0.054 4.394 4.340 0.000 0.000 0.224 640 L C 2.132 178.419 176.870 -0.972 0.000 1.145 640 L CA 1.165 55.717 54.840 -0.480 0.000 0.834 640 L CB -0.502 41.319 42.059 -0.396 0.000 0.944 640 L HN 0.464 nan 8.230 nan 0.000 0.451 641 G N -1.401 106.942 108.800 -0.762 0.000 3.126 641 G HA2 -0.064 3.896 3.960 0.000 0.000 0.224 641 G HA3 -0.064 3.896 3.960 0.000 0.000 0.224 641 G C 1.440 176.167 174.900 -0.288 0.000 1.142 641 G CA 0.580 45.283 45.100 -0.661 0.000 0.759 641 G HN 0.400 nan 8.290 nan 0.000 0.550 642 S N -0.511 115.054 115.700 -0.223 0.000 2.558 642 S HA 0.312 4.782 4.470 0.000 0.000 0.217 642 S C 1.872 176.412 174.600 -0.101 0.000 0.975 642 S CA 0.883 59.012 58.200 -0.117 0.000 0.912 642 S CB -0.086 63.071 63.200 -0.072 0.000 0.776 642 S HN 1.303 nan 8.310 nan 0.000 0.526 643 G N 1.825 110.539 108.800 -0.144 0.000 2.225 643 G HA2 -0.339 3.621 3.960 0.000 0.000 0.267 643 G HA3 -0.339 3.621 3.960 0.000 0.000 0.267 643 G C 0.850 175.716 174.900 -0.055 0.000 1.024 643 G CA 0.780 45.819 45.100 -0.101 0.000 0.784 643 G HN 1.245 nan 8.290 nan 0.000 0.507 644 S N -0.872 114.807 115.700 -0.034 0.000 2.489 644 S HA 0.321 4.791 4.470 0.000 0.000 0.228 644 S C 2.422 177.004 174.600 -0.031 0.000 0.995 644 S CA 1.352 59.539 58.200 -0.023 0.000 0.934 644 S CB -0.158 63.043 63.200 0.001 0.000 0.771 644 S HN 2.333 nan 8.310 nan 0.000 0.522 645 G N 0.450 109.242 108.800 -0.014 0.000 2.186 645 G HA2 -0.297 3.663 3.960 0.000 0.000 0.266 645 G HA3 -0.297 3.663 3.960 0.000 0.000 0.266 645 G C 0.742 175.616 174.900 -0.043 0.000 0.982 645 G CA 0.512 45.604 45.100 -0.014 0.000 0.670 645 G HN 0.669 nan 8.290 nan 0.000 0.533 646 V N -0.855 118.999 119.914 -0.100 0.000 2.548 646 V HA 0.193 4.313 4.120 0.000 0.000 0.249 646 V C 1.246 177.089 176.094 -0.419 0.000 1.055 646 V CA 1.483 63.591 62.300 -0.320 0.000 1.065 646 V CB -0.364 31.129 31.823 -0.549 0.000 0.681 646 V HN 0.339 nan 8.190 nan 0.000 0.462 647 F N -0.300 119.668 119.950 0.031 0.000 2.421 647 F HA 0.396 4.923 4.527 0.000 0.000 0.337 647 F C 1.070 176.923 175.800 0.088 0.000 1.105 647 F CA -0.551 57.499 58.000 0.083 0.000 1.049 647 F CB 1.440 40.499 39.000 0.098 0.000 1.139 647 F HN -0.270 nan 8.300 nan 0.000 0.479 648 K N 1.479 122.058 120.400 0.299 0.000 2.067 648 K HA 0.077 4.397 4.320 0.000 0.000 0.203 648 K C 0.040 176.779 176.600 0.231 0.000 1.048 648 K CA 1.008 57.426 56.287 0.217 0.000 0.954 648 K CB 0.200 32.826 32.500 0.209 0.000 0.737 648 K HN 0.803 nan 8.250 nan 0.000 0.444 649 c N -2.154 116.616 118.600 0.283 0.000 3.213 649 c HA 0.944 5.514 4.570 0.000 0.000 0.319 649 c C -0.079 174.244 174.090 0.389 0.000 1.386 649 c CA -0.640 55.884 56.329 0.324 0.000 1.494 649 c CB 1.041 43.667 42.510 0.193 0.000 1.905 649 c HN 0.408 nan 8.230 nan 0.000 0.456 650 G N 0.027 109.119 108.800 0.486 0.000 2.733 650 G HA2 0.624 4.584 3.960 0.000 0.000 0.297 650 G HA3 0.624 4.584 3.960 0.000 0.000 0.297 650 G C -1.765 173.325 174.900 0.316 0.000 1.452 650 G CA -0.588 44.748 45.100 0.392 0.000 0.940 650 G HN 0.905 nan 8.290 nan 0.000 0.547 651 I N 1.082 121.803 120.570 0.252 0.000 2.404 651 I HA 0.641 4.811 4.170 0.000 0.000 0.293 651 I C 0.261 176.460 176.117 0.138 0.000 0.992 651 I CA -0.986 60.348 61.300 0.057 0.000 1.149 651 I CB 2.199 40.252 38.000 0.089 0.000 1.315 651 I HN 0.627 nan 8.210 nan 0.000 0.446 652 A N 6.594 129.372 122.820 -0.070 0.000 2.340 652 A HA 0.672 4.992 4.320 0.000 0.000 0.297 652 A C -0.732 176.724 177.584 -0.214 0.000 1.195 652 A CA -0.481 51.523 52.037 -0.055 0.000 0.769 652 A CB 0.949 19.971 19.000 0.037 0.000 1.163 652 A HN 0.435 nan 8.150 nan 0.000 0.472 653 V N 2.167 121.909 119.914 -0.285 0.000 2.432 653 V HA 0.510 4.630 4.120 0.000 0.000 0.275 653 V C 1.157 176.812 176.094 -0.731 0.000 1.043 653 V CA 0.296 62.208 62.300 -0.647 0.000 0.925 653 V CB 0.669 31.795 31.823 -1.161 0.000 0.985 653 V HN 1.975 nan 8.190 nan 0.000 0.466 654 A N 6.030 128.377 122.820 -0.787 0.000 2.208 654 A HA -0.122 4.198 4.320 0.000 0.000 0.277 654 A C -1.679 175.597 177.584 -0.512 0.000 1.377 654 A CA 0.616 51.974 52.037 -1.131 0.000 0.758 654 A CB -1.423 17.061 19.000 -0.859 0.000 1.122 654 A HN 0.657 nan 8.150 nan 0.000 0.350 655 P HA 0.561 nan 4.420 nan 0.000 0.301 655 P C -0.126 177.109 177.300 -0.109 0.000 1.309 655 P CA -0.586 62.438 63.100 -0.126 0.000 0.782 655 P CB 1.219 32.878 31.700 -0.068 0.000 1.282 656 V N 0.738 120.504 119.914 -0.246 0.000 2.539 656 V HA 0.163 4.283 4.120 0.000 0.000 0.292 656 V C 1.630 177.538 176.094 -0.310 0.000 1.045 656 V CA 0.477 62.502 62.300 -0.459 0.000 0.945 656 V CB 1.003 32.130 31.823 -1.159 0.000 0.993 656 V HN 0.790 nan 8.190 nan 0.000 0.464 657 S N 3.735 119.300 115.700 -0.225 0.000 2.514 657 S HA 0.244 4.714 4.470 0.000 0.000 0.223 657 S C 0.465 174.927 174.600 -0.230 0.000 1.046 657 S CA -0.347 57.787 58.200 -0.110 0.000 0.914 657 S CB 0.287 63.495 63.200 0.013 0.000 0.807 657 S HN 0.852 nan 8.310 nan 0.000 0.497 658 R N -1.340 118.894 120.500 -0.443 0.000 2.563 658 R HA 0.431 4.771 4.340 0.000 0.000 0.262 658 R C -1.026 174.940 176.300 -0.557 0.000 1.128 658 R CA -0.863 54.920 56.100 -0.529 0.000 0.969 658 R CB -0.405 29.570 30.300 -0.541 0.000 1.251 658 R HN 0.115 nan 8.270 nan 0.000 0.442 659 W N 1.344 122.540 121.300 -0.174 0.000 2.387 659 W HA -0.052 4.608 4.660 0.000 0.000 0.272 659 W C 1.136 177.762 176.519 0.179 0.000 1.224 659 W CA 0.998 58.332 57.345 -0.018 0.000 1.210 659 W CB 0.126 29.515 29.460 -0.119 0.000 1.125 659 W HN 0.730 nan 8.180 nan 0.000 0.572 660 E N -1.010 119.339 120.200 0.248 0.000 2.409 660 E HA -0.181 4.169 4.350 0.000 0.000 0.198 660 E C 1.261 178.006 176.600 0.242 0.000 1.024 660 E CA 0.703 57.218 56.400 0.192 0.000 0.861 660 E CB -0.184 29.521 29.700 0.009 0.000 0.788 660 E HN 0.360 nan 8.360 nan 0.000 0.521 661 Y N -1.562 118.819 120.300 0.136 0.000 2.517 661 Y HA 0.055 4.605 4.550 0.000 0.000 0.281 661 Y C 0.681 176.641 175.900 0.101 0.000 1.125 661 Y CA -0.246 57.892 58.100 0.064 0.000 1.283 661 Y CB -0.344 38.100 38.460 -0.027 0.000 1.042 661 Y HN 0.013 nan 8.280 nan 0.000 0.547 662 Y N 1.844 122.279 120.300 0.225 0.000 2.392 662 Y HA 0.266 4.816 4.550 0.000 0.000 0.323 662 Y C 0.233 176.354 175.900 0.368 0.000 1.291 662 Y CA -1.976 56.270 58.100 0.243 0.000 1.345 662 Y CB 0.381 39.030 38.460 0.315 0.000 1.320 662 Y HN 0.180 nan 8.280 nan 0.000 0.518 663 D N -0.324 119.853 120.400 -0.371 0.000 2.382 663 D HA 0.112 4.752 4.640 0.000 0.000 0.245 663 D C 0.954 177.283 176.300 0.049 0.000 1.120 663 D CA 0.342 54.197 54.000 -0.242 0.000 0.890 663 D CB 1.109 41.498 40.800 -0.684 0.000 1.201 663 D HN 0.520 nan 8.370 nan 0.000 0.433 664 S N 2.100 117.844 115.700 0.073 0.000 2.369 664 S HA -0.301 4.169 4.470 0.000 0.000 0.225 664 S C 1.949 176.600 174.600 0.085 0.000 1.043 664 S CA 1.357 59.633 58.200 0.127 0.000 1.074 664 S CB -1.134 62.140 63.200 0.123 0.000 0.962 664 S HN 0.453 nan 8.310 nan 0.000 0.433 665 V N 0.963 120.855 119.914 -0.036 0.000 2.278 665 V HA -0.238 3.882 4.120 0.000 0.000 0.251 665 V C 2.277 178.291 176.094 -0.133 0.000 1.062 665 V CA 2.522 64.688 62.300 -0.223 0.000 1.038 665 V CB -1.068 30.473 31.823 -0.469 0.000 0.646 665 V HN 0.636 nan 8.190 nan 0.000 0.447 666 Y N 1.126 121.396 120.300 -0.050 0.000 2.109 666 Y HA -0.202 4.348 4.550 0.000 0.000 0.281 666 Y C 2.787 178.718 175.900 0.053 0.000 1.113 666 Y CA 2.298 60.452 58.100 0.090 0.000 1.098 666 Y CB -0.878 37.867 38.460 0.475 0.000 0.996 666 Y HN 0.254 nan 8.280 nan 0.000 0.485 667 T N 0.563 115.473 114.554 0.593 0.000 2.597 667 T HA -0.292 4.058 4.350 0.000 0.000 0.267 667 T C 1.657 176.352 174.700 -0.008 0.000 1.053 667 T CA 2.116 64.420 62.100 0.340 0.000 1.165 667 T CB -0.566 68.631 68.868 0.549 0.000 0.863 667 T HN 0.443 nan 8.240 nan 0.000 0.427 668 E N 0.514 120.747 120.200 0.055 0.000 2.097 668 E HA -0.199 4.151 4.350 0.000 0.000 0.196 668 E C 2.388 178.867 176.600 -0.200 0.000 1.000 668 E CA 0.974 57.380 56.400 0.010 0.000 0.804 668 E CB -0.218 29.533 29.700 0.084 0.000 0.740 668 E HN 0.357 nan 8.360 nan 0.000 0.454 669 R N -0.346 119.881 120.500 -0.454 0.000 2.211 669 R HA -0.207 4.133 4.340 0.000 0.000 0.240 669 R C 1.113 176.818 176.300 -0.991 0.000 1.144 669 R CA 1.473 57.114 56.100 -0.765 0.000 0.992 669 R CB 0.060 29.652 30.300 -1.180 0.000 0.869 669 R HN 0.256 nan 8.270 nan 0.000 0.462 670 Y N -2.566 117.449 120.300 -0.476 0.000 2.609 670 Y HA 0.182 4.732 4.550 0.000 0.000 0.281 670 Y C 1.781 177.496 175.900 -0.308 0.000 1.132 670 Y CA -0.035 57.767 58.100 -0.497 0.000 1.264 670 Y CB 0.092 38.140 38.460 -0.687 0.000 1.325 670 Y HN -0.083 nan 8.280 nan 0.000 0.514 671 M N -0.008 119.464 119.600 -0.213 0.000 2.502 671 M HA 0.328 4.808 4.480 0.000 0.000 0.243 671 M C 1.254 177.576 176.300 0.037 0.000 1.130 671 M CA 0.921 56.073 55.300 -0.247 0.000 1.055 671 M CB -1.057 31.072 32.600 -0.785 0.000 1.457 671 M HN 0.424 nan 8.290 nan 0.000 0.488 672 G N 1.507 110.353 108.800 0.076 0.000 2.512 672 G HA2 -0.227 3.733 3.960 0.000 0.000 0.254 672 G HA3 -0.227 3.733 3.960 0.000 0.000 0.254 672 G C -0.712 174.336 174.900 0.247 0.000 1.199 672 G CA -0.703 44.482 45.100 0.142 0.000 0.941 672 G HN 0.269 nan 8.290 nan 0.000 0.569 673 L N 3.166 124.502 121.223 0.188 0.000 2.307 673 L HA 0.552 4.892 4.340 0.000 0.000 0.282 673 L C -1.284 175.569 176.870 -0.028 0.000 1.051 673 L CA -1.827 53.063 54.840 0.082 0.000 0.804 673 L CB 1.416 43.494 42.059 0.032 0.000 1.197 673 L HN 0.430 nan 8.230 nan 0.000 0.431 674 P HA 0.085 nan 4.420 nan 0.000 0.235 674 P C -0.555 176.560 177.300 -0.307 0.000 1.725 674 P CA -0.164 62.435 63.100 -0.836 0.000 0.894 674 P CB -0.348 30.573 31.700 -1.298 0.000 1.704 675 T N -3.371 111.105 114.554 -0.131 0.000 2.888 675 T HA 0.405 4.756 4.350 0.000 0.000 0.284 675 T C -1.756 172.935 174.700 -0.015 0.000 1.017 675 T CA -2.493 59.570 62.100 -0.062 0.000 1.022 675 T CB 1.855 70.701 68.868 -0.037 0.000 1.013 675 T HN -0.224 nan 8.240 nan 0.000 0.465 676 P HA -0.231 nan 4.420 nan 0.000 0.217 676 P C 1.178 178.491 177.300 0.021 0.000 1.151 676 P CA 1.441 64.549 63.100 0.013 0.000 0.849 676 P CB 0.104 31.808 31.700 0.008 0.000 0.787 677 E N -1.226 118.981 120.200 0.013 0.000 2.516 677 E HA -0.101 4.250 4.350 0.000 0.000 0.199 677 E C 1.035 177.650 176.600 0.025 0.000 1.069 677 E CA 0.704 57.113 56.400 0.016 0.000 0.876 677 E CB -0.244 29.460 29.700 0.008 0.000 0.843 677 E HN 0.292 nan 8.360 nan 0.000 0.530 678 D N 1.125 121.548 120.400 0.037 0.000 3.041 678 D HA 0.038 4.678 4.640 0.000 0.000 0.201 678 D C 0.314 176.671 176.300 0.095 0.000 1.432 678 D CA -0.091 53.944 54.000 0.058 0.000 1.469 678 D CB -0.175 40.660 40.800 0.060 0.000 1.051 678 D HN 0.059 nan 8.370 nan 0.000 0.203 679 N N 0.280 119.070 118.700 0.151 0.000 2.299 679 N HA 0.056 4.796 4.740 0.000 0.000 0.246 679 N C 1.276 176.995 175.510 0.349 0.000 1.254 679 N CA -0.089 53.104 53.050 0.238 0.000 0.879 679 N CB 0.974 39.629 38.487 0.280 0.000 1.214 679 N HN 0.018 nan 8.380 nan 0.000 0.510 680 L N 1.250 122.586 121.223 0.188 0.000 1.990 680 L HA -0.158 4.182 4.340 0.000 0.000 0.213 680 L C 1.435 178.420 176.870 0.191 0.000 1.072 680 L CA 2.092 57.011 54.840 0.132 0.000 0.755 680 L CB -0.531 41.538 42.059 0.017 0.000 0.889 680 L HN 0.109 nan 8.230 nan 0.000 0.432 681 D N -1.278 119.212 120.400 0.150 0.000 2.127 681 D HA -0.295 4.345 4.640 0.000 0.000 0.190 681 D C 2.188 178.597 176.300 0.181 0.000 1.000 681 D CA 1.936 56.019 54.000 0.137 0.000 0.839 681 D CB -0.286 40.581 40.800 0.113 0.000 0.955 681 D HN 0.595 nan 8.370 nan 0.000 0.446 682 H N -1.100 118.036 119.070 0.109 0.000 2.456 682 H HA -0.107 4.449 4.556 0.000 0.000 0.296 682 H C 1.761 177.159 175.328 0.116 0.000 1.079 682 H CA 1.349 57.443 56.048 0.076 0.000 1.322 682 H CB -0.480 29.295 29.762 0.021 0.000 1.388 682 H HN 0.273 nan 8.280 nan 0.000 0.538 683 Y N 0.327 120.599 120.300 -0.046 0.000 2.165 683 Y HA -0.189 4.361 4.550 0.000 0.000 0.286 683 Y C 2.337 178.195 175.900 -0.071 0.000 1.155 683 Y CA 1.566 59.629 58.100 -0.062 0.000 1.164 683 Y CB 0.151 38.619 38.460 0.013 0.000 0.978 683 Y HN 0.136 nan 8.280 nan 0.000 0.513 684 R N -0.286 120.291 120.500 0.129 0.000 2.189 684 R HA -0.060 4.280 4.340 0.000 0.000 0.218 684 R C 1.440 177.752 176.300 0.021 0.000 1.074 684 R CA 0.854 56.987 56.100 0.055 0.000 0.991 684 R CB -0.824 29.508 30.300 0.053 0.000 0.883 684 R HN 0.363 nan 8.270 nan 0.000 0.457 685 N N 0.393 119.104 118.700 0.019 0.000 2.354 685 N HA -0.072 4.668 4.740 0.000 0.000 0.179 685 N C 0.621 176.133 175.510 0.003 0.000 1.021 685 N CA 0.981 54.053 53.050 0.037 0.000 0.887 685 N CB 0.092 38.660 38.487 0.135 0.000 0.974 685 N HN 0.142 nan 8.380 nan 0.000 0.437 686 S N -0.627 115.019 115.700 -0.091 0.000 2.677 686 S HA 0.119 4.589 4.470 0.000 0.000 0.246 686 S C 0.352 174.997 174.600 0.074 0.000 1.005 686 S CA -0.685 57.516 58.200 0.002 0.000 1.062 686 S CB -0.973 62.202 63.200 -0.042 0.000 0.778 686 S HN 0.216 nan 8.310 nan 0.000 0.461 687 T N -2.146 112.411 114.554 0.006 0.000 2.875 687 T HA 0.514 4.864 4.350 0.000 0.000 0.284 687 T C 1.199 175.889 174.700 -0.016 0.000 0.995 687 T CA -0.752 61.331 62.100 -0.028 0.000 1.060 687 T CB 1.527 70.349 68.868 -0.077 0.000 0.967 687 T HN -0.031 nan 8.240 nan 0.000 0.476 688 V N 2.934 122.835 119.914 -0.022 0.000 2.358 688 V HA -0.174 3.946 4.120 0.000 0.000 0.246 688 V C 2.730 178.794 176.094 -0.051 0.000 1.047 688 V CA 1.674 63.951 62.300 -0.038 0.000 1.035 688 V CB -0.861 30.928 31.823 -0.057 0.000 0.658 688 V HN 0.866 nan 8.190 nan 0.000 0.452 689 M N 1.264 120.820 119.600 -0.073 0.000 2.113 689 M HA -0.235 4.245 4.480 0.000 0.000 0.255 689 M C 2.407 178.679 176.300 -0.046 0.000 1.073 689 M CA 2.600 57.853 55.300 -0.079 0.000 1.091 689 M CB -2.368 30.199 32.600 -0.054 0.000 1.309 689 M HN 0.613 nan 8.290 nan 0.000 0.407 690 S N 0.121 115.806 115.700 -0.024 0.000 2.500 690 S HA -0.094 4.376 4.470 0.000 0.000 0.239 690 S C 1.692 176.299 174.600 0.013 0.000 0.989 690 S CA 0.902 59.098 58.200 -0.006 0.000 0.951 690 S CB -0.514 62.685 63.200 -0.002 0.000 0.759 690 S HN 0.614 nan 8.310 nan 0.000 0.523 691 R N 0.252 120.773 120.500 0.035 0.000 2.432 691 R HA 0.506 4.846 4.340 0.000 0.000 0.260 691 R C 2.145 178.566 176.300 0.202 0.000 0.935 691 R CA 0.438 56.588 56.100 0.083 0.000 1.080 691 R CB -0.204 30.136 30.300 0.067 0.000 1.155 691 R HN 0.425 nan 8.270 nan 0.000 0.531 692 A N 1.608 124.492 122.820 0.106 0.000 1.884 692 A HA -0.320 4.000 4.320 0.000 0.000 0.219 692 A C 2.032 179.720 177.584 0.174 0.000 1.197 692 A CA 2.110 54.182 52.037 0.059 0.000 0.637 692 A CB -0.392 18.552 19.000 -0.094 0.000 0.827 692 A HN 0.317 nan 8.150 nan 0.000 0.450 693 E N 0.404 120.659 120.200 0.091 0.000 2.187 693 E HA -0.210 4.140 4.350 0.000 0.000 0.199 693 E C 1.345 177.992 176.600 0.080 0.000 1.004 693 E CA 1.738 58.181 56.400 0.072 0.000 0.813 693 E CB -0.339 29.384 29.700 0.038 0.000 0.736 693 E HN 0.609 nan 8.360 nan 0.000 0.468 694 N N -0.853 117.886 118.700 0.066 0.000 2.521 694 N HA -0.024 4.716 4.740 0.000 0.000 0.188 694 N C 0.366 175.803 175.510 -0.121 0.000 1.146 694 N CA 0.339 53.363 53.050 -0.044 0.000 0.893 694 N CB -0.131 38.280 38.487 -0.126 0.000 0.975 694 N HN 0.232 nan 8.380 nan 0.000 0.451 695 F N 0.721 120.623 119.950 -0.079 0.000 2.710 695 F HA 0.155 4.682 4.527 0.000 0.000 0.298 695 F C 1.893 177.687 175.800 -0.011 0.000 1.137 695 F CA 0.264 58.214 58.000 -0.084 0.000 1.444 695 F CB 0.205 39.098 39.000 -0.179 0.000 1.111 695 F HN -0.074 nan 8.300 nan 0.000 0.580 696 K N 0.626 121.110 120.400 0.140 0.000 2.228 696 K HA -0.230 4.090 4.320 0.000 0.000 0.205 696 K C 1.234 177.886 176.600 0.087 0.000 1.045 696 K CA 1.516 57.867 56.287 0.107 0.000 0.931 696 K CB -0.260 32.283 32.500 0.071 0.000 0.727 696 K HN 0.491 nan 8.250 nan 0.000 0.458 697 Q N 0.204 120.037 119.800 0.054 0.000 2.211 697 Q HA 0.137 4.477 4.340 0.000 0.000 0.231 697 Q C -0.097 175.939 176.000 0.061 0.000 0.865 697 Q CA -0.295 55.534 55.803 0.044 0.000 0.997 697 Q CB 0.342 29.087 28.738 0.011 0.000 1.101 697 Q HN 0.041 nan 8.270 nan 0.000 0.468 698 V N -3.635 116.344 119.914 0.108 0.000 3.216 698 V HA 0.512 4.632 4.120 0.000 0.000 0.302 698 V C -1.766 174.481 176.094 0.256 0.000 1.286 698 V CA -1.198 61.196 62.300 0.156 0.000 1.048 698 V CB 2.360 34.247 31.823 0.106 0.000 1.081 698 V HN 0.193 nan 8.190 nan 0.000 0.442 699 E N 1.643 122.025 120.200 0.302 0.000 2.134 699 E HA 0.504 4.854 4.350 0.000 0.000 0.278 699 E C -1.949 175.019 176.600 0.613 0.000 0.959 699 E CA -0.433 56.212 56.400 0.409 0.000 0.783 699 E CB 2.049 31.918 29.700 0.282 0.000 1.095 699 E HN 0.700 nan 8.360 nan 0.000 0.399 700 Y N 3.356 123.917 120.300 0.434 0.000 2.376 700 Y HA 0.409 4.960 4.550 0.000 0.000 0.340 700 Y C -1.551 174.450 175.900 0.169 0.000 0.965 700 Y CA -1.082 57.214 58.100 0.326 0.000 1.078 700 Y CB 1.015 39.671 38.460 0.327 0.000 1.193 700 Y HN 0.448 nan 8.280 nan 0.000 0.452 701 L N 8.126 129.093 121.223 -0.426 0.000 2.316 701 L HA 0.455 4.795 4.340 0.000 0.000 0.280 701 L C -1.585 174.869 176.870 -0.694 0.000 1.006 701 L CA -0.676 53.771 54.840 -0.655 0.000 0.836 701 L CB 0.789 42.119 42.059 -1.215 0.000 1.221 701 L HN 0.658 nan 8.230 nan 0.000 0.418 702 L N 6.508 127.403 121.223 -0.546 0.000 2.275 702 L HA 0.562 4.902 4.340 0.000 0.000 0.288 702 L C -0.808 175.940 176.870 -0.204 0.000 1.046 702 L CA -0.373 54.190 54.840 -0.462 0.000 0.805 702 L CB 1.412 43.329 42.059 -0.238 0.000 1.193 702 L HN 0.619 nan 8.230 nan 0.000 0.426 703 I N 3.882 124.333 120.570 -0.199 0.000 2.619 703 I HA 0.396 4.566 4.170 0.000 0.000 0.292 703 I C -1.131 174.954 176.117 -0.054 0.000 1.100 703 I CA -0.692 60.555 61.300 -0.088 0.000 1.043 703 I CB 2.352 40.270 38.000 -0.137 0.000 1.239 703 I HN 0.634 nan 8.210 nan 0.000 0.420 704 H N 2.205 121.329 119.070 0.091 0.000 3.038 704 H HA 0.477 5.033 4.556 0.000 0.000 0.362 704 H C -0.279 175.285 175.328 0.394 0.000 1.167 704 H CA -0.672 55.470 56.048 0.157 0.000 1.197 704 H CB 2.192 31.978 29.762 0.041 0.000 1.840 704 H HN 0.758 nan 8.280 nan 0.000 0.540 705 G N 0.766 109.939 108.800 0.621 0.000 2.390 705 G HA2 0.174 4.134 3.960 0.000 0.000 0.270 705 G HA3 0.174 4.134 3.960 0.000 0.000 0.270 705 G C 1.148 176.303 174.900 0.425 0.000 1.211 705 G CA 0.151 45.541 45.100 0.483 0.000 0.842 705 G HN 0.739 nan 8.290 nan 0.000 0.519 706 T N -0.714 113.967 114.554 0.212 0.000 3.035 706 T HA 0.095 4.445 4.350 0.000 0.000 0.268 706 T C 1.781 176.443 174.700 -0.065 0.000 1.109 706 T CA 1.263 63.280 62.100 -0.138 0.000 1.119 706 T CB 0.176 68.897 68.868 -0.245 0.000 0.900 706 T HN 0.639 nan 8.240 nan 0.000 0.503 707 A N 0.802 123.673 122.820 0.086 0.000 2.460 707 A HA 0.292 4.612 4.320 0.000 0.000 0.258 707 A C 0.543 178.124 177.584 -0.005 0.000 1.300 707 A CA -0.460 51.641 52.037 0.107 0.000 0.913 707 A CB -0.250 19.014 19.000 0.441 0.000 1.031 707 A HN 0.412 nan 8.150 nan 0.000 0.512 708 D N 1.419 121.830 120.400 0.020 0.000 2.450 708 D HA 0.001 4.641 4.640 0.000 0.000 0.247 708 D C 0.211 176.471 176.300 -0.066 0.000 1.162 708 D CA 0.389 54.486 54.000 0.162 0.000 0.879 708 D CB 0.792 41.826 40.800 0.390 0.000 1.163 708 D HN 0.527 nan 8.370 nan 0.000 0.472 709 D N 2.274 122.726 120.400 0.087 0.000 2.389 709 D HA -0.096 4.544 4.640 0.000 0.000 0.206 709 D C 0.974 177.272 176.300 -0.004 0.000 1.055 709 D CA -0.205 53.782 54.000 -0.021 0.000 0.856 709 D CB 0.250 41.010 40.800 -0.067 0.000 0.957 709 D HN 0.190 nan 8.370 nan 0.000 0.509 710 N N 1.081 119.896 118.700 0.191 0.000 2.255 710 N HA -0.048 4.692 4.740 0.000 0.000 0.192 710 N C 0.081 175.607 175.510 0.027 0.000 1.049 710 N CA 0.730 53.926 53.050 0.244 0.000 0.886 710 N CB 0.249 38.783 38.487 0.080 0.000 1.064 710 N HN -0.106 nan 8.380 nan 0.000 0.457 711 V N 3.813 123.786 119.914 0.099 0.000 2.284 711 V HA 0.155 4.275 4.120 0.000 0.000 0.260 711 V C -0.651 175.546 176.094 0.171 0.000 1.084 711 V CA -0.640 61.756 62.300 0.161 0.000 0.894 711 V CB -0.389 31.623 31.823 0.315 0.000 1.119 711 V HN 0.308 nan 8.190 nan 0.000 0.484 712 H N 3.351 122.363 119.070 -0.097 0.000 3.115 712 H HA -0.083 4.473 4.556 0.000 0.000 0.324 712 H C 0.884 175.998 175.328 -0.357 0.000 1.007 712 H CA 0.103 55.987 56.048 -0.273 0.000 1.385 712 H CB 0.299 29.838 29.762 -0.371 0.000 1.351 712 H HN 0.633 nan 8.280 nan 0.000 0.592 713 F N 2.637 122.288 119.950 -0.499 0.000 2.192 713 F HA -0.293 4.234 4.527 0.000 0.000 0.301 713 F C 2.530 178.067 175.800 -0.437 0.000 1.079 713 F CA 1.950 59.489 58.000 -0.769 0.000 1.303 713 F CB -0.046 38.694 39.000 -0.434 0.000 1.024 713 F HN 0.681 nan 8.300 nan 0.000 0.494 714 Q N 0.330 120.006 119.800 -0.208 0.000 2.217 714 Q HA -0.312 4.028 4.340 0.000 0.000 0.209 714 Q C 1.988 177.775 176.000 -0.354 0.000 0.988 714 Q CA 2.129 57.774 55.803 -0.264 0.000 0.878 714 Q CB -0.446 28.102 28.738 -0.317 0.000 0.909 714 Q HN 0.621 nan 8.270 nan 0.000 0.424 715 Q N -0.113 119.510 119.800 -0.294 0.000 2.030 715 Q HA -0.127 4.213 4.340 0.000 0.000 0.204 715 Q C 2.228 178.158 176.000 -0.117 0.000 0.986 715 Q CA 1.884 57.622 55.803 -0.107 0.000 0.843 715 Q CB -0.106 28.654 28.738 0.037 0.000 0.904 715 Q HN 0.363 nan 8.270 nan 0.000 0.420 716 S N 0.418 115.982 115.700 -0.226 0.000 2.461 716 S HA 0.015 4.485 4.470 0.000 0.000 0.228 716 S C 1.920 176.333 174.600 -0.311 0.000 1.005 716 S CA 0.613 58.680 58.200 -0.221 0.000 0.942 716 S CB -0.006 63.077 63.200 -0.195 0.000 0.776 716 S HN 0.437 nan 8.310 nan 0.000 0.514 717 A N 1.224 123.776 122.820 -0.446 0.000 1.972 717 A HA -0.105 4.215 4.320 0.000 0.000 0.219 717 A C 2.163 179.677 177.584 -0.117 0.000 1.169 717 A CA 1.047 52.932 52.037 -0.252 0.000 0.635 717 A CB -0.319 18.589 19.000 -0.153 0.000 0.810 717 A HN 0.322 nan 8.150 nan 0.000 0.446 718 Q N -0.383 119.353 119.800 -0.106 0.000 2.096 718 Q HA 0.014 4.354 4.340 0.000 0.000 0.197 718 Q C 2.159 178.120 176.000 -0.066 0.000 0.964 718 Q CA 1.011 56.793 55.803 -0.035 0.000 0.838 718 Q CB -0.344 28.438 28.738 0.074 0.000 0.906 718 Q HN 0.762 nan 8.270 nan 0.000 0.444 719 I N 1.232 121.744 120.570 -0.096 0.000 2.127 719 I HA -0.327 3.843 4.170 0.000 0.000 0.241 719 I C 2.552 178.522 176.117 -0.245 0.000 1.075 719 I CA 1.642 62.839 61.300 -0.171 0.000 1.334 719 I CB -0.555 37.357 38.000 -0.146 0.000 1.040 719 I HN 0.203 nan 8.210 nan 0.000 0.405 720 S N 0.712 116.311 115.700 -0.169 0.000 2.383 720 S HA -0.296 4.174 4.470 0.000 0.000 0.229 720 S C 2.056 176.623 174.600 -0.055 0.000 1.030 720 S CA 1.601 59.736 58.200 -0.108 0.000 1.002 720 S CB -0.456 62.873 63.200 0.216 0.000 0.829 720 S HN 0.405 nan 8.310 nan 0.000 0.467 721 K N 1.249 121.625 120.400 -0.040 0.000 2.097 721 K HA 0.107 4.427 4.320 0.000 0.000 0.205 721 K C 2.349 178.921 176.600 -0.046 0.000 1.050 721 K CA 0.977 57.255 56.287 -0.016 0.000 0.938 721 K CB -0.547 31.948 32.500 -0.008 0.000 0.718 721 K HN 0.481 nan 8.250 nan 0.000 0.442 722 A N 1.114 123.880 122.820 -0.091 0.000 1.969 722 A HA -0.077 4.243 4.320 0.000 0.000 0.218 722 A C 2.022 179.530 177.584 -0.127 0.000 1.169 722 A CA 0.959 52.938 52.037 -0.095 0.000 0.635 722 A CB -0.424 18.510 19.000 -0.111 0.000 0.810 722 A HN 0.259 nan 8.150 nan 0.000 0.445 723 L N -0.710 120.379 121.223 -0.224 0.000 2.027 723 L HA -0.136 4.205 4.340 0.000 0.000 0.206 723 L C 2.481 179.307 176.870 -0.073 0.000 1.074 723 L CA 1.026 55.712 54.840 -0.256 0.000 0.745 723 L CB -0.607 41.100 42.059 -0.587 0.000 0.898 723 L HN 0.228 nan 8.230 nan 0.000 0.433 724 V N -0.058 119.852 119.914 -0.006 0.000 2.490 724 V HA -0.275 3.845 4.120 0.000 0.000 0.250 724 V C 1.838 177.955 176.094 0.039 0.000 1.061 724 V CA 1.798 64.143 62.300 0.075 0.000 1.064 724 V CB -0.524 31.361 31.823 0.105 0.000 0.670 724 V HN 0.428 nan 8.190 nan 0.000 0.461 725 D N 0.015 120.420 120.400 0.009 0.000 2.277 725 D HA -0.066 4.574 4.640 0.000 0.000 0.208 725 D C 1.775 178.081 176.300 0.010 0.000 0.962 725 D CA 1.309 55.315 54.000 0.009 0.000 0.865 725 D CB 0.013 40.812 40.800 -0.000 0.000 0.939 725 D HN 0.541 nan 8.370 nan 0.000 0.510 726 V N -3.399 116.517 119.914 0.004 0.000 3.647 726 V HA 0.470 4.590 4.120 0.000 0.000 0.279 726 V C 1.281 177.393 176.094 0.031 0.000 1.314 726 V CA 0.235 62.543 62.300 0.013 0.000 1.125 726 V CB -0.293 31.535 31.823 0.008 0.000 0.907 726 V HN 0.138 nan 8.190 nan 0.000 0.434 727 G N 0.447 109.271 108.800 0.040 0.000 2.256 727 G HA2 -0.175 3.785 3.960 0.000 0.000 0.272 727 G HA3 -0.175 3.785 3.960 0.000 0.000 0.272 727 G C -0.150 174.798 174.900 0.081 0.000 1.076 727 G CA 0.201 45.336 45.100 0.059 0.000 0.882 727 G HN 0.832 nan 8.290 nan 0.000 0.497 728 V N 0.368 120.337 119.914 0.092 0.000 2.398 728 V HA 0.489 4.609 4.120 0.000 0.000 0.286 728 V C 0.362 176.601 176.094 0.242 0.000 1.026 728 V CA -0.625 61.755 62.300 0.133 0.000 0.868 728 V CB 1.801 33.681 31.823 0.095 0.000 0.982 728 V HN 0.443 nan 8.190 nan 0.000 0.443 729 D N 3.868 124.418 120.400 0.249 0.000 2.313 729 D HA 0.617 5.257 4.640 0.000 0.000 0.247 729 D C -0.621 175.952 176.300 0.455 0.000 1.094 729 D CA 0.244 54.420 54.000 0.293 0.000 0.925 729 D CB 0.873 41.774 40.800 0.168 0.000 1.188 729 D HN 0.373 nan 8.370 nan 0.000 0.430 730 F N -0.539 119.487 119.950 0.126 0.000 2.807 730 F HA 0.408 4.935 4.527 0.000 0.000 0.316 730 F C -1.956 173.914 175.800 0.117 0.000 1.162 730 F CA -1.146 56.954 58.000 0.168 0.000 0.910 730 F CB 0.648 39.782 39.000 0.222 0.000 1.314 730 F HN 0.089 nan 8.300 nan 0.000 0.454 731 Q N 1.739 121.550 119.800 0.018 0.000 2.293 731 Q HA 0.815 5.155 4.340 0.000 0.000 0.261 731 Q C -0.620 175.253 176.000 -0.212 0.000 0.960 731 Q CA -0.585 55.128 55.803 -0.151 0.000 0.882 731 Q CB 1.848 30.605 28.738 0.032 0.000 1.275 731 Q HN 1.054 nan 8.270 nan 0.000 0.445 732 A N 2.215 124.874 122.820 -0.268 0.000 2.435 732 A HA 0.915 5.235 4.320 0.000 0.000 0.296 732 A C -0.999 176.520 177.584 -0.109 0.000 1.147 732 A CA -0.641 51.318 52.037 -0.130 0.000 0.775 732 A CB 1.770 20.721 19.000 -0.080 0.000 1.340 732 A HN 0.630 nan 8.150 nan 0.000 0.427 733 M N 0.851 120.406 119.600 -0.075 0.000 2.331 733 M HA 0.484 4.964 4.480 0.000 0.000 0.249 733 M C -2.049 174.175 176.300 -0.126 0.000 1.010 733 M CA -0.653 54.494 55.300 -0.256 0.000 0.939 733 M CB 0.754 33.159 32.600 -0.324 0.000 2.126 733 M HN 0.948 nan 8.290 nan 0.000 0.472 734 W N 4.335 125.513 121.300 -0.203 0.000 2.509 734 W HA 0.809 5.469 4.660 0.000 0.000 0.351 734 W C -1.957 174.366 176.519 -0.326 0.000 1.107 734 W CA -0.825 56.489 57.345 -0.052 0.000 1.264 734 W CB 0.496 29.972 29.460 0.026 0.000 1.312 734 W HN 0.630 nan 8.180 nan 0.000 0.608 735 Y N 2.020 122.477 120.300 0.262 0.000 2.426 735 Y HA 0.271 4.821 4.550 0.000 0.000 0.325 735 Y C 0.364 176.373 175.900 0.182 0.000 0.989 735 Y CA -1.077 57.077 58.100 0.090 0.000 1.284 735 Y CB 1.545 40.029 38.460 0.040 0.000 1.104 735 Y HN 0.417 nan 8.280 nan 0.000 0.481 736 T N 4.627 119.348 114.554 0.277 0.000 2.778 736 T HA -0.033 4.317 4.350 0.000 0.000 0.282 736 T C 0.052 174.818 174.700 0.111 0.000 0.983 736 T CA 0.858 63.065 62.100 0.178 0.000 1.193 736 T CB -0.273 68.637 68.868 0.069 0.000 0.938 736 T HN 0.715 nan 8.240 nan 0.000 0.523 737 D N 1.059 121.501 120.400 0.069 0.000 3.090 737 D HA -0.119 4.521 4.640 0.000 0.000 0.215 737 D C 0.237 176.659 176.300 0.205 0.000 1.140 737 D CA 1.062 55.039 54.000 -0.039 0.000 0.937 737 D CB -0.452 40.123 40.800 -0.375 0.000 1.108 737 D HN 0.545 nan 8.370 nan 0.000 0.420 738 E N 0.708 121.053 120.200 0.241 0.000 2.242 738 E HA 0.410 4.760 4.350 0.000 0.000 0.275 738 E C 0.479 177.267 176.600 0.312 0.000 1.002 738 E CA -0.414 56.147 56.400 0.270 0.000 0.841 738 E CB 1.347 31.187 29.700 0.235 0.000 1.109 738 E HN 0.313 nan 8.360 nan 0.000 0.394 739 D N -1.043 119.557 120.400 0.334 0.000 2.564 739 D HA 0.041 4.681 4.640 0.000 0.000 0.273 739 D C 1.018 177.567 176.300 0.416 0.000 1.192 739 D CA -0.438 53.790 54.000 0.380 0.000 1.080 739 D CB 0.070 41.121 40.800 0.418 0.000 1.160 739 D HN 0.403 nan 8.370 nan 0.000 0.607 740 H N -1.189 118.097 119.070 0.360 0.000 2.505 740 H HA -0.108 4.448 4.556 0.000 0.000 0.295 740 H C 1.814 177.441 175.328 0.497 0.000 1.121 740 H CA 2.318 58.612 56.048 0.408 0.000 1.217 740 H CB -0.320 29.665 29.762 0.371 0.000 1.357 740 H HN 0.531 nan 8.280 nan 0.000 0.533 741 G N -0.692 108.326 108.800 0.364 0.000 2.595 741 G HA2 0.039 4.000 3.960 0.000 0.000 0.213 741 G HA3 0.039 4.000 3.960 0.000 0.000 0.213 741 G C 0.677 175.808 174.900 0.386 0.000 1.141 741 G CA 0.277 45.538 45.100 0.269 0.000 0.806 741 G HN 0.499 nan 8.290 nan 0.000 0.530 742 I N 0.298 121.063 120.570 0.325 0.000 6.313 742 I HA -0.314 3.856 4.170 0.000 0.000 0.126 742 I C 1.440 177.692 176.117 0.226 0.000 1.598 742 I CA 0.144 61.561 61.300 0.196 0.000 2.457 742 I CB -1.058 36.999 38.000 0.094 0.000 3.027 742 I HN 0.258 nan 8.210 nan 0.000 0.280 743 A N 1.146 124.081 122.820 0.192 0.000 2.430 743 A HA 0.338 4.658 4.320 0.000 0.000 0.243 743 A C 1.203 178.856 177.584 0.115 0.000 1.254 743 A CA 0.502 52.629 52.037 0.149 0.000 0.914 743 A CB 0.137 19.191 19.000 0.090 0.000 0.998 743 A HN 0.651 nan 8.150 nan 0.000 0.515 744 S N -0.616 115.159 115.700 0.125 0.000 2.598 744 S HA 0.119 4.589 4.470 0.000 0.000 0.256 744 S C 1.329 175.992 174.600 0.106 0.000 1.350 744 S CA 0.500 58.763 58.200 0.106 0.000 0.984 744 S CB 0.747 64.013 63.200 0.109 0.000 0.930 744 S HN 0.440 nan 8.310 nan 0.000 0.577 745 S N 0.277 116.026 115.700 0.082 0.000 2.357 745 S HA -0.110 4.360 4.470 0.000 0.000 0.221 745 S C 2.113 176.779 174.600 0.110 0.000 1.031 745 S CA 1.788 60.036 58.200 0.080 0.000 0.982 745 S CB -1.517 61.711 63.200 0.046 0.000 0.853 745 S HN 1.005 nan 8.310 nan 0.000 0.458 746 T N -0.347 114.264 114.554 0.095 0.000 2.857 746 T HA 0.224 4.574 4.350 0.000 0.000 0.266 746 T C 1.927 176.704 174.700 0.127 0.000 1.048 746 T CA 1.133 63.294 62.100 0.102 0.000 1.139 746 T CB -0.723 68.192 68.868 0.078 0.000 0.874 746 T HN 0.385 nan 8.240 nan 0.000 0.455 747 A N 1.500 124.380 122.820 0.101 0.000 1.898 747 A HA -0.049 4.271 4.320 0.000 0.000 0.216 747 A C 2.204 179.794 177.584 0.011 0.000 1.181 747 A CA 1.925 53.977 52.037 0.024 0.000 0.620 747 A CB -1.281 17.701 19.000 -0.030 0.000 0.819 747 A HN 0.766 nan 8.150 nan 0.000 0.442 748 H N -0.096 118.991 119.070 0.029 0.000 2.319 748 H HA -0.151 4.405 4.556 0.000 0.000 0.299 748 H C 2.097 177.520 175.328 0.158 0.000 1.092 748 H CA 2.380 58.493 56.048 0.108 0.000 1.302 748 H CB -0.194 29.623 29.762 0.091 0.000 1.373 748 H HN 0.578 nan 8.280 nan 0.000 0.497 749 Q N -0.973 118.842 119.800 0.024 0.000 2.079 749 Q HA -0.175 4.165 4.340 0.000 0.000 0.200 749 Q C 2.227 178.232 176.000 0.008 0.000 0.974 749 Q CA 1.224 57.004 55.803 -0.039 0.000 0.840 749 Q CB -0.204 28.556 28.738 0.037 0.000 0.898 749 Q HN 0.632 nan 8.270 nan 0.000 0.430 750 H N 1.045 120.112 119.070 -0.004 0.000 2.321 750 H HA -0.084 4.472 4.556 0.000 0.000 0.300 750 H C 1.991 177.344 175.328 0.043 0.000 1.087 750 H CA 1.353 57.429 56.048 0.047 0.000 1.319 750 H CB -0.083 29.749 29.762 0.118 0.000 1.379 750 H HN 0.272 nan 8.280 nan 0.000 0.501 751 I N 0.050 120.674 120.570 0.091 0.000 2.286 751 I HA -0.315 3.855 4.170 0.000 0.000 0.248 751 I C 1.781 177.715 176.117 -0.305 0.000 1.115 751 I CA 1.173 62.428 61.300 -0.076 0.000 1.392 751 I CB -0.244 37.499 38.000 -0.427 0.000 1.065 751 I HN 0.147 nan 8.210 nan 0.000 0.418 752 Y N 0.848 120.971 120.300 -0.296 0.000 2.263 752 Y HA -0.185 4.365 4.550 0.000 0.000 0.292 752 Y C 2.700 178.445 175.900 -0.258 0.000 1.130 752 Y CA 1.810 59.633 58.100 -0.461 0.000 1.179 752 Y CB -0.725 37.427 38.460 -0.513 0.000 0.998 752 Y HN 0.124 nan 8.280 nan 0.000 0.532 753 T N -1.431 113.091 114.554 -0.055 0.000 2.684 753 T HA -0.269 4.081 4.350 0.000 0.000 0.267 753 T C 1.547 176.202 174.700 -0.075 0.000 1.036 753 T CA 2.016 64.058 62.100 -0.096 0.000 1.148 753 T CB -0.535 68.262 68.868 -0.117 0.000 0.863 753 T HN 0.388 nan 8.240 nan 0.000 0.436 754 H N 0.913 119.906 119.070 -0.128 0.000 2.319 754 H HA 0.028 4.584 4.556 0.000 0.000 0.299 754 H C 2.172 177.525 175.328 0.042 0.000 1.092 754 H CA 1.724 57.759 56.048 -0.022 0.000 1.302 754 H CB -0.290 29.430 29.762 -0.069 0.000 1.373 754 H HN 0.290 nan 8.280 nan 0.000 0.497 755 M N -1.030 118.572 119.600 0.002 0.000 2.296 755 M HA -0.126 4.354 4.480 0.000 0.000 0.265 755 M C 2.296 178.805 176.300 0.348 0.000 1.064 755 M CA 1.197 56.516 55.300 0.030 0.000 1.109 755 M CB 0.124 32.494 32.600 -0.383 0.000 1.396 755 M HN 0.156 nan 8.290 nan 0.000 0.430 756 S N -0.814 115.106 115.700 0.366 0.000 2.406 756 S HA -0.102 4.368 4.470 0.000 0.000 0.228 756 S C 1.707 176.409 174.600 0.171 0.000 1.020 756 S CA 0.791 59.240 58.200 0.416 0.000 0.965 756 S CB -0.373 63.049 63.200 0.370 0.000 0.798 756 S HN 0.461 nan 8.310 nan 0.000 0.488 757 H N -0.229 118.907 119.070 0.110 0.000 2.357 757 H HA 0.040 4.596 4.556 0.000 0.000 0.301 757 H C 1.885 177.212 175.328 -0.002 0.000 1.082 757 H CA 1.054 57.110 56.048 0.012 0.000 1.342 757 H CB -0.569 29.136 29.762 -0.094 0.000 1.389 757 H HN 0.463 nan 8.280 nan 0.000 0.511 758 F N 0.985 120.929 119.950 -0.010 0.000 2.146 758 F HA -0.161 4.366 4.527 0.000 0.000 0.298 758 F C 2.129 177.875 175.800 -0.089 0.000 1.096 758 F CA 0.695 58.656 58.000 -0.065 0.000 1.275 758 F CB -0.182 38.770 39.000 -0.079 0.000 1.008 758 F HN -0.059 nan 8.300 nan 0.000 0.480 759 I N 0.947 121.552 120.570 0.059 0.000 2.113 759 I HA -0.295 3.875 4.170 0.000 0.000 0.238 759 I C 2.342 178.225 176.117 -0.390 0.000 1.070 759 I CA 1.542 62.700 61.300 -0.235 0.000 1.332 759 I CB -1.475 36.459 38.000 -0.109 0.000 1.044 759 I HN 0.170 nan 8.210 nan 0.000 0.402 760 K N 0.212 120.542 120.400 -0.118 0.000 2.020 760 K HA -0.265 4.055 4.320 0.000 0.000 0.212 760 K C 2.103 178.664 176.600 -0.064 0.000 1.050 760 K CA 1.660 57.934 56.287 -0.021 0.000 0.929 760 K CB -0.401 32.141 32.500 0.070 0.000 0.714 760 K HN 0.354 nan 8.250 nan 0.000 0.443 761 Q N 1.394 121.131 119.800 -0.105 0.000 2.096 761 Q HA -0.261 4.079 4.340 0.000 0.000 0.208 761 Q C 2.254 178.139 176.000 -0.193 0.000 0.993 761 Q CA 2.156 57.877 55.803 -0.137 0.000 0.862 761 Q CB -0.874 27.754 28.738 -0.184 0.000 0.915 761 Q HN 0.460 nan 8.270 nan 0.000 0.416 762 c N 0.119 118.491 118.600 -0.381 0.000 2.422 762 c HA -0.094 4.476 4.570 0.000 0.000 0.279 762 c C 2.009 176.065 174.090 -0.057 0.000 1.305 762 c CA 0.416 56.528 56.329 -0.362 0.000 1.757 762 c CB -1.370 40.764 42.510 -0.627 0.000 1.962 762 c HN 0.521 nan 8.230 nan 0.000 0.499 763 F N 1.649 121.566 119.950 -0.055 0.000 2.645 763 F HA 0.290 4.817 4.527 0.000 0.000 0.300 763 F C 1.479 177.269 175.800 -0.018 0.000 1.115 763 F CA -0.127 57.861 58.000 -0.021 0.000 1.355 763 F CB -1.445 37.551 39.000 -0.007 0.000 1.026 763 F HN 0.066 nan 8.300 nan 0.000 0.536 764 S N 1.733 117.513 115.700 0.133 0.000 3.336 764 S HA -0.135 4.335 4.470 0.000 0.000 0.362 764 S C -0.566 174.081 174.600 0.078 0.000 0.941 764 S CA 0.574 58.819 58.200 0.075 0.000 1.297 764 S CB -1.589 61.645 63.200 0.057 0.000 0.915 764 S HN 0.409 nan 8.310 nan 0.000 0.527 765 L N -1.861 119.412 121.223 0.084 0.000 2.513 765 L HA 0.848 5.188 4.340 0.000 0.000 0.261 765 L C -2.279 174.632 176.870 0.069 0.000 0.945 765 L CA -2.375 52.510 54.840 0.075 0.000 0.848 765 L CB -0.413 41.701 42.059 0.092 0.000 1.334 765 L HN -0.136 nan 8.230 nan 0.000 0.407 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.137 63.100 0.062 0.000 0.800 766 P CB 0.000 31.730 31.700 0.051 0.000 0.726