NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9336 8.0549 114.0463 61.1146 32.9048 174.4573 3 I 4.2245 8.3620 125.3935 58.0663 38.4805 173.9274 4 N 5.0087 8.3274 120.6571 52.2118 39.8133 174.0221 5 T 4.4573 7.6445 110.3477 60.7279 71.7603 175.4539 6 F 4.2323 8.2562 119.5762 61.1220 38.9749 177.7750 7 D 4.5545 8.3450 118.0349 57.1561 40.5927 178.9493 8 G 3.6278 8.2649 106.3192 47.9641 0.0000 176.0261 9 V 3.6734 8.0824 121.0664 65.2962 31.5279 177.8995 10 A 4.0379 8.2910 120.7084 55.3414 18.1656 179.3620 11 D 4.2644 8.3782 117.4634 57.5686 40.8153 178.3619 12 Y 4.0313 7.9035 119.8024 60.7985 38.8622 178.0657 13 L 3.8446 8.2538 120.0184 57.8061 41.4625 179.6649 14 I 3.2867 7.3234 118.5415 64.1785 37.1500 178.2223 15 R 3.5683 7.6744 118.1387 59.0479 29.2839 177.3322 16 Y 4.4712 8.1140 114.9437 56.5830 38.6410 176.9066 17 K 3.2538 8.0661 118.1230 56.3476 30.1599 175.4474 18 R 4.7799 7.2034 109.6918 54.9309 32.1948 174.8005 19 L 4.0621 8.3113 119.2859 53.9514 42.2764 175.2125 20 P 3.7412 0.0000 0.0000 62.1322 31.8016 177.1082 21 N 4.5668 8.3074 115.7481 55.1295 38.6660 175.8923 22 D 4.5167 7.9357 117.4474 53.8861 40.1108 174.9452 23 Y 5.2576 7.4732 118.3830 56.7320 39.9263 175.1901 24 I 4.8770 8.6166 115.5054 59.2365 41.6052 174.9076 25 T 4.6617 8.4960 114.3384 61.3765 70.1545 175.4425 26 K 3.9405 9.6380 122.4256 59.5951 31.8950 179.8925 27 S 4.2118 8.1134 114.0896 61.4415 63.0602 175.9499 28 Q 3.9476 7.7972 121.7777 58.9844 28.6931 178.4016 29 A 4.0332 8.2100 121.6155 55.3518 18.3021 179.8358 30 S 4.4780 8.7721 114.7760 61.2975 62.7259 176.6523 31 A 4.0264 8.1362 122.5564 55.2002 18.1949 179.1594 32 L 4.2317 7.7696 115.3450 55.2631 41.9643 177.7507 33 G 4.0770 8.1200 105.7831 44.6816 0.0000 174.2171 34 W 4.5210 8.8135 131.8030 57.4356 31.5199 174.9529 35 V 3.8252 8.3498 124.2308 59.1711 33.0768 176.6865 36 A 3.6975 7.5467 126.8858 54.3842 18.3435 178.1714 37 S 4.6220 7.6911 108.4297 59.2676 63.8516 175.2267 38 K 4.0944 7.7995 119.8787 56.5439 32.0606 177.2545 39 G 2.7931 7.6246 106.5000 46.1959 0.0000 173.9626 40 D 5.0083 7.8624 116.3316 52.7718 40.0968 177.4065 41 L 3.9243 8.4599 122.9867 59.0658 41.5885 178.9789 42 A 4.0526 8.1354 118.0622 54.9732 18.3488 178.9743 43 E 4.0889 8.0568 116.8276 59.3551 29.7303 179.1309 44 V 4.0551 7.7694 109.9065 62.0960 33.6926 176.4013 45 A 4.6675 8.2781 121.7647 49.0001 19.0497 173.4757 46 P 4.3887 0.0000 0.0000 64.0922 31.7962 177.8693 47 G 3.8783 8.9590 109.6464 45.2759 0.0000 172.8704 48 K 4.7596 7.6977 118.2973 54.8242 34.5833 175.9020 49 S 4.5089 8.5316 117.5358 56.5130 67.3020 173.4064 50 I 4.3677 7.8425 123.2243 61.2690 37.9788 175.2587 51 G 4.2554 9.2594 112.2718 46.5837 0.0000 173.7078 52 G 4.2902 9.3680 109.6686 44.4726 0.0000 173.5906 53 D 4.8494 7.8491 119.5031 52.7869 43.2449 175.7823 54 V 4.1888 8.2872 120.4101 63.0602 32.3455 174.7811 55 F 4.8438 8.8050 130.8409 56.3718 40.1242 175.7079 56 S 3.9935 8.1603 121.3539 59.1698 63.5003 173.8501 57 N 3.7882 6.7553 117.9314 53.9379 37.0557 175.8179 58 R 3.8956 7.4482 114.6816 58.3320 29.4771 177.4195 59 E 4.0008 8.0085 116.4991 56.7010 29.7546 177.0162 60 G 3.8780 7.7739 106.5381 46.6012 0.0000 174.9392 61 R 4.1856 8.0659 117.7181 56.4461 30.7194 176.4696 62 L 4.0388 6.9706 117.6545 51.1697 43.7511 174.5829 63 P 4.3328 0.0000 0.0000 63.0419 31.6970 175.8505 64 S 4.9406 8.4241 116.3029 56.9098 65.5286 173.0107 65 A 4.5591 8.0467 122.7439 50.5710 21.7666 176.0667 66 G 3.7791 8.6060 111.9877 47.9784 0.0000 175.0146 *67 S 4.2607 8.8643 120.8736 57.9903 61.2061 166.2763 68 R 3.8667 7.4357 118.5233 57.1273 30.4676 175.5624 69 T 4.6043 8.4276 121.6348 61.4723 72.1177 172.8763 70 W 5.1942 8.6297 124.3199 55.1650 32.0648 175.1773 71 R 5.1907 8.7573 121.9921 54.2290 33.9985 174.0875 72 E 5.4630 8.9730 117.3614 54.9414 33.5099 174.5152 73 A 5.0410 9.1393 121.5540 50.5058 23.0656 175.4287 74 D 5.0432 9.3156 122.2507 54.5178 41.2717 176.0884 75 I 4.3777 8.4916 122.8582 59.9959 40.6131 175.5387 76 N 4.6227 8.7862 120.7405 54.2489 37.0692 173.9053 77 Y 4.2250 7.3364 119.4481 57.4404 39.6254 175.4299 78 V 3.8634 6.9429 124.3439 63.5660 33.6089 175.1631 79 S 4.1890 6.4083 108.8062 59.2438 65.2701 176.5800 80 G 3.8507 8.6513 107.8741 45.7901 0.0000 173.3875 81 F 4.3923 8.7447 118.7584 57.3567 39.6613 175.4135 82 R 4.3730 8.7350 122.4230 56.5061 30.9347 177.1538 83 N 4.9296 8.5686 118.9166 52.4658 39.5340 175.0723 84 A 4.7068 8.5352 121.3257 52.2849 20.9122 175.8680 85 D 5.3666 8.6449 118.2792 54.0592 42.5075 176.0660 86 R 5.0570 9.1799 121.4403 54.4589 35.2012 173.6243 87 L 5.3699 9.2166 124.2890 53.4460 44.7778 175.0950 88 V 5.0519 9.3445 126.6844 61.2794 33.6045 173.7017 89 Y 5.7492 8.9344 125.9989 55.4090 41.5391 175.2327 90 S 3.9321 8.7025 117.3082 56.3639 65.1287 175.3212 91 S 3.5032 7.8353 115.0805 60.4561 62.6883 174.7842 92 D 4.5993 7.3024 118.6319 52.5800 39.3333 176.0000 93 W 3.8122 6.7796 116.8270 58.4473 26.9361 174.1256 94 L 4.5252 7.9716 118.8149 54.5236 42.6802 176.1702 95 I 5.3252 8.6755 123.8165 59.9269 40.4329 174.2160 96 Y 5.3781 10.0654 124.9705 55.9951 41.6250 174.8434 97 K 5.3563 9.2141 120.8462 55.7642 36.3473 174.7858 98 T 4.8515 8.6993 114.9055 60.7192 71.0637 173.9390 99 T 4.9622 8.6512 115.4687 60.2236 69.5793 173.4339 100 D 4.6544 7.2628 120.6207 54.0442 40.3096 174.4339 101 H 3.3587 8.6847 114.5081 58.5094 28.4601 174.3690 102 Y 3.1029 7.3988 112.3338 58.2035 36.5724 171.1983 103 A 4.1155 7.7468 123.8383 54.7988 18.5493 178.2850 104 T 4.7282 8.0072 103.2120 59.8082 71.9406 172.9977 105 F 5.2848 8.5040 119.3697 56.1947 43.3271 174.2963 106 T 4.7312 9.1009 118.3885 61.5290 71.6255 173.4097 107 R 3.7728 8.7518 127.7298 56.1087 30.0724 175.9584 108 I 4.4249 8.6291 118.8799 60.6404 39.7812 175.7983 109 R 4.1836 7.5713 125.2036 56.4921 31.0958 174.6101 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 2 V 8.05 3.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 3 I 8.36 4.22 1.74 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 1.49 0.68 0.91 0.00 0.00 4 N 8.33 5.01 0.00 2.74 2.82 0.00 0.00 5.92 7.22 0.00 0.00 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 T 7.64 4.46 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 1.20 0.00 0.00 6 F 8.26 4.23 0.00 3.28 3.20 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 7 D 8.34 4.55 0.00 2.80 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 8 G 8.26 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 9 V 8.08 3.67 2.11 0.00 0.00 0.00 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 1.13 0.00 0.00 10 A 8.29 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.38 4.26 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 4.03 0.00 3.25 3.06 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 0.00 13 L 8.25 3.84 0.00 1.87 1.70 0.43 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.32 3.29 1.85 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 1.62 0.71 0.76 0.00 0.00 15 R 7.67 3.57 0.00 1.32 1.46 0.00 2.45 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.90 0.00 16 Y 8.11 4.47 0.00 2.72 2.72 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 0.00 0.00 0.00 0.00 17 K 8.07 3.25 0.00 1.81 2.01 0.00 1.21 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.39 0.42 7.81 18 R 7.20 4.78 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 19 L 8.31 4.06 0.00 1.62 1.40 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.74 0.00 2.27 1.30 0.00 3.53 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.27 0.00 21 N 8.31 4.57 0.00 2.66 2.85 0.00 0.00 6.90 8.06 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 22 D 7.94 4.52 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.47 5.26 0.00 2.81 2.92 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 0.00 0.00 0.00 0.00 24 I 8.62 4.88 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.64 0.90 0.00 0.00 25 T 8.50 4.66 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 26 K 9.64 3.94 0.00 1.91 2.21 0.00 1.84 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.69 7.81 27 S 8.11 4.21 0.00 4.10 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.80 3.95 0.00 2.26 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 29 A 8.21 4.03 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.77 4.48 0.00 4.09 3.99 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 0.00 0.00 0.00 31 A 8.14 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.77 4.23 0.00 1.86 1.77 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.12 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.81 4.52 0.00 3.27 3.16 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 0.00 0.00 0.00 0.00 35 V 8.35 3.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.79 0.00 0.00 36 A 7.55 3.70 0.96 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 0.00 0.00 37 S 7.69 4.62 0.00 4.03 3.98 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 0.00 0.00 0.00 38 K 7.80 4.09 0.00 1.88 1.82 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.32 7.81 39 G 7.62 2.79 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 0.00 0.00 0.00 40 D 7.86 5.01 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.46 3.92 0.00 1.61 1.68 0.14 0.86 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 42 A 8.14 4.05 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 43 E 8.06 4.09 0.00 2.14 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 2.34 2.35 0.00 44 V 7.77 4.06 2.32 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 0.81 0.00 0.00 1.11 0.00 0.00 45 A 8.28 4.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.17 2.11 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 47 G 8.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.70 4.76 0.00 1.62 1.60 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.48 7.81 49 S 8.53 4.51 0.00 2.72 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.84 4.37 1.54 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.07 0.78 0.00 0.00 51 G 9.26 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 0.00 0.00 0.00 0.00 52 G 9.37 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 0.00 0.00 0.00 0.00 53 D 7.85 4.85 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.29 4.19 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 0.72 0.00 0.00 0.92 0.00 0.00 55 F 8.81 4.84 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.16 3.99 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.76 3.79 0.00 2.72 2.76 0.00 0.00 6.99 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 7.45 3.90 0.00 1.89 1.93 0.00 3.05 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 59 E 8.01 4.00 0.00 1.97 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 2.33 2.34 0.00 60 G 7.77 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.07 4.19 0.00 1.98 2.12 0.00 3.31 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 62 L 6.97 4.04 0.00 0.70 0.13 -1.02 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.33 0.00 2.33 2.16 0.00 3.36 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 64 S 8.42 4.94 0.00 4.03 3.94 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 0.00 0.00 0.00 65 A 8.05 4.56 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 S 8.86 4.26 0.00 3.83 3.97 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 68 R 7.44 3.87 0.00 1.61 1.89 0.00 3.11 0.00 0.00 2.61 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.13 0.00 69 T 8.43 4.60 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 1.08 0.00 0.00 70 W 8.63 5.19 0.00 3.59 3.13 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 0.00 0.00 0.00 0.00 71 R 8.76 5.19 0.00 0.67 1.09 0.00 2.87 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 72 E 8.97 5.46 0.00 2.23 2.04 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 2.38 2.60 0.00 73 A 9.14 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.32 5.04 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.49 4.38 1.47 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 -0.39 0.00 0.00 76 N 8.79 4.62 0.00 2.78 2.84 0.00 0.00 6.91 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 77 Y 7.34 4.22 0.00 2.86 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 78 V 6.94 3.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.80 0.00 0.00 79 S 6.41 4.19 0.00 3.86 3.59 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 80 G 8.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.74 4.39 0.00 3.13 3.12 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 0.00 0.00 0.00 82 R 8.73 4.37 0.00 1.95 1.93 0.00 3.05 0.00 0.00 3.51 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.68 0.00 83 N 8.57 4.93 0.00 2.86 2.92 0.00 0.00 5.87 7.26 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 84 A 8.54 4.71 1.26 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 0.00 0.00 0.00 85 D 8.64 5.37 0.00 2.84 2.72 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 0.00 0.00 0.00 0.00 86 R 9.18 5.06 0.00 1.78 1.95 0.00 3.44 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 87 L 9.22 5.37 0.00 1.92 1.72 1.34 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 88 V 9.34 5.05 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 0.51 0.00 0.00 0.72 0.00 0.00 89 Y 8.93 5.75 0.00 3.23 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 90 S 8.70 3.93 0.00 2.72 2.63 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 91 S 7.84 3.50 0.00 3.73 3.72 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 0.00 0.00 0.00 0.00 92 D 7.30 4.60 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 W 6.78 3.81 0.00 3.55 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.97 4.53 0.00 1.77 2.00 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.68 5.33 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.08 1.12 0.00 0.00 96 Y 10.07 5.38 0.00 2.79 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 5.36 0.00 1.37 1.81 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.21 1.09 7.81 98 T 8.70 4.85 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 1.16 0.00 0.00 99 T 8.65 4.96 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 1.29 0.00 0.00 100 D 7.26 4.65 0.00 2.74 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 0.00 101 H 8.68 3.36 0.00 3.17 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.40 3.10 0.00 3.30 3.29 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 0.00 103 A 7.75 4.12 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 0.00 104 T 8.01 4.73 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 1.18 0.00 0.00 105 F 8.50 5.28 0.00 2.90 3.08 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 0.00 0.00 0.00 0.00 106 T 9.10 4.73 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 1.19 0.00 0.00 107 R 8.75 3.77 0.00 0.79 1.57 0.00 2.72 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 0.00 108 I 8.63 4.42 1.87 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.89 0.00 0.00 109 R 7.57 4.18 0.00 1.86 1.81 0.00 3.33 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.