NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 5.3696 7.5674 118.1051 58.3465 39.6190 173.5029 4 G 4.2004 8.5248 108.5331 44.6414 0.0000 169.1894 5 I 5.3183 9.2560 120.7850 59.3476 40.7127 173.6767 6 V 4.9417 9.1161 126.6729 61.1919 34.5240 173.9695 7 I 4.9839 9.1054 129.0062 59.6677 39.6331 174.6254 8 V 4.9031 9.2213 127.4309 61.2090 33.9976 174.2367 9 S 5.4024 9.1911 122.1239 56.6754 65.9446 174.3666 10 H 4.4215 10.0634 122.1053 57.8117 29.8415 175.1125 11 S 5.0111 8.2136 114.0955 55.1133 64.5094 172.7460 12 P 4.3111 0.0000 0.0000 66.0881 30.9963 178.4906 13 E 3.9445 8.1278 117.7971 59.1860 29.4366 179.1049 14 I 3.6873 7.8578 119.5679 64.3267 37.2479 178.2612 15 A 4.0114 8.0627 121.4857 55.2121 18.3416 179.6868 16 S 4.1031 8.3953 111.8382 61.6005 62.4768 176.6208 17 G 3.6326 8.5827 108.8594 47.6536 0.0000 175.4138 18 L 3.9599 8.3963 123.1572 57.6633 42.0196 178.8228 19 K 3.8898 7.9937 119.5125 59.5608 31.6042 178.9144 20 K 3.9515 7.9331 118.1180 59.2446 31.7665 178.7613 21 L 3.9963 7.8991 119.6607 58.6728 42.2794 178.9475 22 I 3.8526 8.1878 119.7129 64.4455 37.0754 178.6786 23 R 4.1268 8.3227 119.2058 59.2289 29.5901 178.8569 24 E 4.1295 7.8325 116.9570 58.5080 29.5002 178.0629 25 V 4.2481 7.6557 109.2076 61.2107 33.4739 176.2254 26 A 4.7152 7.1854 120.5787 50.3104 19.0174 175.6005 27 K 4.0916 8.1463 122.6761 57.8966 32.9722 177.2387 28 N 4.8748 8.1090 113.8141 52.7354 39.9815 175.0879 29 I 3.8777 7.5434 111.4888 60.3618 38.6195 175.4695 30 S 4.3679 8.4949 116.9530 58.1260 63.1916 172.5520 31 L 5.3776 8.4880 129.2561 53.5774 44.8520 175.3246 32 T 4.8433 9.2376 116.2912 59.7863 71.9352 172.7222 33 A 5.2572 8.6361 125.1129 50.2128 22.1473 175.0062 34 I 4.6297 9.3303 121.8727 59.1862 41.6446 174.3590 35 G 4.8014 8.4643 114.7926 45.6664 0.0000 173.2971 36 G 4.2338 8.9002 111.4564 44.3784 0.0000 172.3985 37 L 4.5123 8.2381 119.2654 53.0153 43.0233 178.0472 38 E 4.0454 8.6769 118.8435 59.0948 29.3222 177.9255 39 N 4.6581 8.2090 114.3569 52.2640 37.6056 176.1225 40 G 4.0002 8.1265 107.8127 45.8698 0.0000 174.4142 41 E 4.1743 8.7839 119.9053 55.6636 30.1066 176.4397 42 I 4.0971 8.4438 122.5817 60.6385 37.7848 176.5589 43 G 4.0389 7.4595 113.2530 45.6342 0.0000 170.7427 44 T 4.9035 7.3791 107.7806 59.8447 72.0029 172.8775 45 S 4.8790 8.1208 115.7406 56.2029 66.4529 174.5429 46 F 4.0110 9.1834 123.9620 61.7549 39.2429 176.2141 47 D 4.6001 8.4991 118.1890 57.6425 41.0072 178.2872 48 R 4.0222 7.9362 117.9298 59.2529 30.3880 179.7209 49 V 3.7360 7.6716 114.3022 63.8770 31.2615 177.2402 *51 N 4.5370 8.3115 115.7285 52.8417 40.5400 176.5611 52 A 4.0381 8.0727 119.6931 55.2448 18.1098 179.6992 53 I 3.6131 7.4808 117.2680 64.7503 37.3203 178.2953 54 E 4.1261 7.9838 117.1501 58.8075 29.4948 178.3978 55 E 4.0522 8.4384 119.6267 57.9183 30.0321 177.0236 56 N 4.3773 7.4969 117.1320 53.6498 39.4224 174.7091 57 E 4.0075 8.2869 123.9759 58.9658 29.8314 177.5830 58 A 4.2981 8.0443 120.7617 52.0266 19.3301 176.5690 59 D 4.7105 8.3293 117.7106 54.4080 43.4521 175.8035 60 N 5.1436 7.8469 115.8971 51.3426 41.4631 173.2546 61 L 5.2468 9.1417 124.9517 52.7993 44.7036 175.8434 62 L 5.1523 9.0605 125.0829 54.2171 43.0017 175.8543 63 T 5.1594 9.0514 114.9519 59.8737 71.8666 173.2995 64 F 5.3044 9.3014 121.9886 55.9116 43.3607 173.7451 65 F 6.0249 8.5472 115.7331 54.9535 40.8201 173.5459 66 D 4.5977 9.2960 118.6152 54.7282 39.6659 176.3963 67 L 4.9372 7.9404 118.8621 51.3936 44.9998 177.6081 68 G 3.8677 8.9336 109.5939 49.0179 0.0000 176.1500 69 S 4.1606 8.1001 113.0575 60.7701 63.7725 175.3596 70 A 4.1723 8.1761 123.5840 54.6201 18.3608 180.3522 71 R 3.3341 6.9999 113.3753 56.5844 29.5439 177.9772 *73 N 4.7898 8.2815 115.6460 52.8317 40.7702 176.8528 74 L 3.9400 7.9847 118.0128 57.7780 41.7452 179.1694 75 D 4.3028 8.3445 119.1144 57.3932 40.5865 178.6787 76 L 4.0479 7.9325 117.3255 58.0813 41.7798 179.4093 77 V 3.6839 7.6139 116.3719 66.0835 31.5208 177.4186 78 S 4.2510 8.1686 112.0860 61.4026 62.1320 175.3438 79 E 4.2036 7.7458 119.0107 56.1810 30.1399 176.4911 *81 T 4.1084 7.2866 111.9572 62.1401 68.2032 173.3638 82 D 4.5673 8.4782 124.8905 55.6074 41.5099 177.2852 83 K 4.2035 7.5496 118.4539 56.4583 33.1331 176.8045 84 E 4.3851 9.0400 123.7688 55.3651 30.4939 175.0638 85 L 5.0005 8.3795 125.0181 53.5468 43.6956 176.2924 86 T 4.4073 9.1006 120.2521 61.6929 71.2459 173.1009 87 I 4.8091 7.8857 126.7990 58.8580 38.9793 174.8695 88 F 4.6880 8.4200 126.7449 55.3645 40.2129 177.3295 89 N 4.8712 8.5373 124.7681 52.4338 37.2500 173.8941 90 V 4.7953 6.9603 111.0328 58.2449 36.5034 174.3394 91 P 4.1771 0.0000 0.0000 62.9991 31.8690 177.0991 92 L 3.9346 8.5984 125.0955 58.5721 42.6129 179.1327 93 I 3.6582 7.7563 118.6221 64.5928 37.1610 178.3198 94 E 4.0398 8.0783 119.0272 59.1000 29.2845 179.5832 95 G 3.4471 8.2493 105.8698 47.8144 0.0000 175.6263 96 A 2.5800 7.3761 124.0248 54.1071 18.2364 179.1116 97 Y 3.7369 7.9187 117.9325 61.0170 38.9093 178.2499 98 T 3.7888 8.0441 116.4369 66.7538 68.6159 176.4735 99 A 3.9276 7.9143 122.6541 55.0986 18.3329 179.9757 100 S 3.9723 8.0653 113.6018 61.5348 62.9433 176.6816 101 A 3.7692 7.5035 123.4050 55.0976 18.0162 179.6105 102 L 3.8591 7.6621 117.4378 57.7708 41.6683 179.6398 103 L 3.8649 7.8087 120.1511 58.1049 41.8779 178.2475 104 E 3.8645 8.2482 118.1619 59.4869 29.6001 178.2083 105 A 4.2844 7.6751 117.1966 52.6359 18.7092 177.9794 106 G 3.8737 7.7782 105.7040 44.7751 0.0000 173.9788 107 A 4.0533 7.7740 122.5822 52.0086 19.0732 179.0510 108 T 4.1070 8.2003 111.8325 61.1739 70.9347 175.3884 109 F 4.1333 8.5862 123.6388 61.7881 39.1800 177.2487 110 E 3.7162 8.1748 117.1851 59.3277 29.3179 179.0976 111 A 3.9379 7.9546 120.7962 54.9676 18.3276 179.6362 112 I 3.5349 7.7073 118.2859 64.5408 37.1652 178.6925 113 K 3.7876 7.9636 119.3287 59.4624 31.6309 178.9304 114 E 3.9164 8.0686 117.9069 59.8091 29.5914 179.3914 115 Q 4.0997 8.1117 117.6189 59.0323 28.5765 178.8750 116 L 3.9799 7.9539 119.4113 57.4387 41.6179 178.9016 117 E 4.1788 8.3470 117.5070 59.0675 29.5169 178.6165 118 K 4.1816 7.5475 119.5528 56.0412 31.5781 176.9380 *120 L 4.3320 7.8629 118.0061 54.5999 42.7816 176.6721 121 I 4.6749 8.2208 116.3025 58.9456 40.3141 176.1418 122 E 4.3300 8.4606 122.1419 55.4385 27.8450 177.1526 123 K 4.2654 8.2644 121.2587 56.5062 32.1683 177.1980 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 Y 7.57 5.37 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.52 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 9.26 5.32 1.95 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.16 1.09 0.00 0.00 6 V 9.12 4.94 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.98 0.00 0.00 7 I 9.11 4.98 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.55 0.98 0.00 0.00 8 V 9.22 4.90 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 9 S 9.19 5.40 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 10.06 4.42 0.00 3.20 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.21 5.01 0.00 3.86 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.31 0.00 2.31 2.41 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 13 E 8.13 3.94 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 14 I 7.86 3.69 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.93 0.00 0.00 15 A 8.06 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.10 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.58 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.40 3.96 0.00 1.82 1.76 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.99 3.89 0.00 2.02 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 20 K 7.93 3.95 0.00 2.03 1.85 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 21 L 7.90 4.00 0.00 1.77 1.97 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.19 3.85 2.06 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.92 0.83 0.00 0.00 23 R 8.32 4.13 0.00 1.95 1.98 0.00 3.29 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 24 E 7.83 4.13 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 25 V 7.66 4.25 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.58 0.00 0.00 26 A 7.19 4.72 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.15 4.09 0.00 1.72 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 28 N 8.11 4.87 0.00 2.95 2.81 0.00 0.00 7.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.54 3.88 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.99 0.00 0.00 30 S 8.49 4.37 0.00 3.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.49 5.38 0.00 1.63 1.49 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 T 9.24 4.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 33 A 8.64 5.26 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.33 4.63 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.99 0.00 0.00 35 G 8.46 4.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.24 4.51 0.00 1.86 1.62 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.68 4.05 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 39 N 8.21 4.66 0.00 2.83 2.91 0.00 0.00 6.13 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.78 4.17 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 42 I 8.44 4.10 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.99 0.00 0.00 43 G 7.46 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.38 4.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 45 S 8.12 4.88 0.00 4.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 9.18 4.01 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.50 4.60 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.94 4.02 0.00 1.82 1.96 0.00 3.24 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 49 V 7.67 3.74 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 *51 N 8.31 4.54 0.00 3.02 2.86 0.00 0.00 6.90 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.07 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.48 3.61 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.77 0.86 0.00 0.00 54 E 7.98 4.13 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 55 E 8.44 4.05 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 56 N 7.50 4.38 0.00 2.91 2.82 0.00 0.00 7.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.29 4.01 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 58 A 8.04 4.30 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.33 4.71 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.85 5.14 0.00 1.79 2.22 0.00 0.00 6.97 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.14 5.25 0.00 1.52 1.59 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.06 5.15 0.00 2.00 2.03 1.24 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.05 5.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 F 9.30 5.30 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.55 6.02 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 9.30 4.60 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.94 4.94 0.00 1.75 1.64 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.10 4.16 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.18 4.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.00 3.33 0.00 0.67 1.51 0.00 3.21 0.00 0.00 2.95 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.70 0.00 *73 N 8.28 4.79 0.00 2.97 2.89 0.00 0.00 7.02 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.98 3.94 0.00 1.76 1.65 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.34 4.30 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.93 4.05 0.00 2.00 2.12 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.61 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.44 0.00 0.00 78 S 8.17 4.25 0.00 3.89 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.75 4.20 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 *81 T 7.29 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 82 D 8.48 4.57 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.55 4.20 0.00 1.63 1.80 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.39 7.81 84 E 9.04 4.39 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 85 L 8.38 5.00 0.00 1.46 1.53 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.10 4.41 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 87 I 7.89 4.81 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.96 0.00 0.00 88 F 8.42 4.69 0.00 2.67 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.54 4.87 0.00 2.87 2.90 0.00 0.00 6.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 6.96 4.80 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.17 0.00 0.00 91 P 0.00 4.18 0.00 2.16 2.02 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 92 L 8.60 3.93 0.00 1.89 1.64 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.76 3.66 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.46 0.84 0.00 0.00 94 E 8.08 4.04 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 95 G 8.25 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.38 2.58 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.92 3.74 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.04 3.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 99 A 7.91 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.07 3.97 0.00 3.64 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.50 3.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.66 3.86 0.00 1.85 1.67 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.81 3.86 0.00 1.91 1.79 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.25 3.86 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 105 A 7.68 4.28 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.78 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.77 4.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.20 4.11 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 109 F 8.59 4.13 0.00 2.40 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.17 3.72 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 111 A 7.95 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.71 3.53 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 0.80 0.00 0.00 113 K 7.96 3.79 0.00 1.68 1.77 0.00 1.50 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.50 0.83 7.81 114 E 8.07 3.92 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 115 Q 8.11 4.10 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 116 L 7.95 3.98 0.00 1.32 1.56 -0.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.35 4.18 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 118 K 7.55 4.18 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.60 7.81 *120 L 7.86 4.33 0.00 1.69 1.70 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.22 4.67 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.77 0.92 0.00 0.00 122 E 8.46 4.33 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 123 K 8.26 4.27 0.00 2.01 2.06 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.77 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.