NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4595 8.2929 115.4206 57.8400 64.7122 175.0663 5 D 4.2921 8.4211 122.1317 57.7985 39.4155 175.9172 6 L 4.3429 8.0551 118.6680 57.8634 42.2564 179.0392 7 V 3.7174 7.9132 118.3389 66.1040 31.2328 178.2387 8 T 3.8711 7.7701 114.8363 66.3945 68.7408 175.9273 9 K 4.0061 7.8987 121.0375 59.6719 32.2825 178.4205 10 F 4.1916 8.3795 120.6516 61.4124 39.1526 176.6987 11 E 3.8394 8.3212 117.5419 58.5811 29.4790 178.3431 12 S 4.1778 7.6551 112.7735 59.3828 63.9073 174.1081 13 L 4.4762 6.9704 123.4056 52.9654 43.0463 177.7255 14 I 3.5910 8.0950 115.5177 63.7891 37.7612 177.9323 15 I 3.2967 7.6390 120.2779 63.4025 37.6771 176.5108 16 S 3.8705 7.3242 112.8840 59.6808 63.0008 174.9175 17 K 4.2269 8.3752 122.3757 56.6588 31.9742 175.9712 *18 Y 4.4588 7.5230 118.4385 54.5189 38.4814 177.1938 19 P 4.8520 0.0000 0.0000 62.2506 31.3351 177.5898 *21 S 4.5160 8.5669 110.3389 58.0059 64.5605 171.3299 22 F 4.3963 8.0842 116.3030 57.4508 38.8271 176.3394 23 T 4.3412 9.7314 119.9002 61.4431 70.8666 176.3265 24 K 4.0208 8.6838 127.6128 60.7725 31.5963 177.9011 25 E 4.1800 8.1580 119.3146 61.1220 29.6525 180.9505 26 Q 3.9707 7.7759 118.7605 58.7448 28.7902 179.0388 27 S 4.2337 8.2279 116.0481 61.3267 62.8642 176.3943 28 A 3.9567 7.9136 123.4103 55.3491 18.1846 179.3146 29 Q 3.9271 7.9400 116.0594 59.3929 28.8156 179.5791 30 A 4.1722 7.9494 121.0107 55.1452 18.3924 179.5226 31 A 3.9522 7.9885 118.9223 55.2650 18.4576 179.4101 32 Q 3.7391 8.0366 118.0381 59.3711 29.0764 178.9565 33 W 4.1212 8.0274 119.7003 59.4364 29.0759 177.8609 34 E 3.9553 8.6239 119.6717 59.6513 29.0546 178.7784 35 S 4.0743 8.6370 115.2280 61.8962 62.9826 177.1255 36 V 3.5050 7.7459 120.2960 65.9701 31.2427 177.9619 37 L 4.0020 8.5102 118.8881 57.7686 41.3182 179.2233 38 K 3.8968 8.3021 118.6212 59.5576 32.1883 178.0033 39 S 4.5510 7.9557 110.8830 57.7961 63.1846 174.1995 40 G 3.9822 7.8381 109.7047 47.1388 0.0000 174.4699 41 Q 4.7774 7.8252 116.4821 55.1664 29.5319 177.5182 42 I 4.0703 7.8358 120.8535 64.4358 38.0800 178.7300 43 Q 3.9973 8.2958 120.6210 58.8665 28.6837 176.5310 44 P 4.4193 0.0000 0.0000 64.8425 31.5490 177.1486 45 H 4.8455 8.0809 114.2132 55.6987 28.8181 176.7076 46 L 4.0785 7.8329 124.1059 57.9752 41.3993 179.0711 47 D 4.4854 8.2334 118.4651 57.4216 40.7601 178.4739 48 Q 4.0196 8.1466 119.5916 59.0748 29.1757 177.7403 49 L 3.9308 8.4404 121.5887 58.1846 42.0823 178.3747 50 N 4.3126 8.4728 117.1196 56.6892 37.9022 176.5653 51 L 3.9400 8.0279 121.6779 58.0132 42.0801 178.9394 52 V 3.6198 7.9875 118.3107 66.2296 31.3194 178.0268 53 L 4.2851 7.6646 117.7054 56.2657 41.4258 178.8848 54 R 3.6061 7.5040 118.7605 58.9298 30.0732 177.2387 55 D 4.7797 7.2917 115.3626 53.1302 42.2827 176.1127 56 N 4.9379 7.4497 117.2678 51.3046 42.0927 175.1381 57 T 3.5154 8.6983 120.2206 66.0711 68.7936 174.2317 58 F 5.1045 7.3646 117.9090 55.0900 42.3346 176.2495 59 I 3.3390 9.0402 124.0618 64.5738 36.8130 177.6872 60 V 3.9925 7.7530 116.1401 62.1191 31.3402 175.0158 61 S 3.6742 7.9625 110.8459 59.5973 60.6740 171.0028 62 T 4.6456 7.8093 107.8759 59.7254 71.1127 174.2088 63 L 4.1017 8.2075 120.3302 56.2400 41.9870 176.8378 64 Y 4.7825 7.2808 114.5876 54.7443 41.7666 173.2474 65 P 3.6918 0.0000 0.0000 62.8192 32.1791 176.1551 66 T 4.8261 8.6266 111.6090 59.5730 72.8293 175.3521 67 S 3.6782 8.5392 115.0328 61.6323 62.7104 176.5158 68 T 3.9514 7.9543 118.9367 66.6558 68.1684 175.8992 69 D 4.6605 7.6110 120.3498 57.5462 40.8268 179.1403 70 V 3.4417 7.2952 118.1921 66.2108 30.8638 177.8563 71 H 4.3052 8.5673 116.3538 58.9604 28.5175 178.0570 72 V 3.8925 8.0950 120.1303 65.8351 31.2730 177.6967 73 F 4.2226 8.8575 120.8572 61.4880 38.9559 176.4220 74 E 3.7456 8.2904 117.7403 59.1940 29.1150 178.5352 75 V 3.8749 7.3269 117.6520 65.1050 31.9266 177.6982 76 A 3.9878 8.2396 120.8841 55.1160 18.1587 178.8979 77 L 3.6614 7.7390 119.3114 58.0788 42.0089 177.6429 78 P 4.1515 0.0000 0.0000 65.4766 31.1136 178.0663 79 L 3.8800 7.5207 119.6894 58.2531 42.0058 179.1241 80 I 3.6051 7.9878 120.0956 63.9467 36.9802 178.2619 81 K 3.8979 8.2582 120.9037 59.6881 31.9319 178.3771 82 D 4.3772 8.0874 118.1837 57.1615 40.8966 178.1809 83 L 3.9682 8.0024 119.0827 57.7434 42.0445 179.3361 84 V 3.6516 8.1870 118.3055 65.9104 31.2803 177.6947 85 A 4.0427 8.2493 119.8894 54.9287 18.3112 178.8639 86 S 4.4894 7.9653 109.3699 57.3983 63.9475 174.4827 87 S 4.1851 7.2568 117.4250 58.6428 62.5675 174.5509 88 K 4.0255 8.5583 125.9686 58.8528 32.4396 177.3224 89 D 4.2418 8.1255 116.0744 52.3949 43.3858 175.6348 90 V 3.2940 8.1388 128.1275 65.5389 31.5183 177.5216 91 K 3.9746 7.8788 119.2987 59.4770 32.1791 178.7549 92 S 4.1155 8.4676 114.6216 61.6610 62.6444 176.6388 93 T 3.8424 7.6406 119.0782 66.7817 68.0230 176.2596 94 Y 4.5304 7.7230 117.3328 61.5620 37.9363 178.5776 95 T 4.0833 8.0113 115.8654 66.6275 68.5949 176.6635 96 T 3.9643 7.6531 116.8900 65.1387 68.7221 174.4819 97 Y 4.9896 7.4932 119.0538 56.8716 39.6039 177.9659 98 R 3.9872 8.4420 120.8360 60.1151 30.2044 177.9017 99 H 4.4448 7.8785 114.9304 58.4879 28.9202 177.4668 100 I 3.8780 7.9543 121.2599 64.7390 36.9409 178.2008 101 L 4.0848 8.3538 119.6860 57.6739 41.5360 179.5225 102 R 3.9283 8.0256 118.3061 59.3542 30.0318 178.4867 103 W 4.2684 8.3733 128.0588 60.3729 30.5834 178.0223 104 I 3.6440 8.8744 120.4135 64.3805 36.4571 177.6536 105 D 4.3202 8.3572 118.9318 57.5540 40.8975 177.8617 106 Y 3.8783 7.9066 119.3654 61.1028 38.9461 177.7965 107 M 3.7603 8.1136 120.2643 58.0874 31.7720 178.7406 108 Q 4.2196 7.9955 117.6920 58.6507 28.7491 178.2484 109 N 4.2307 7.5367 117.4645 55.7066 38.5337 176.8614 110 L 3.8009 7.5430 121.2051 58.2233 42.0698 178.0574 111 L 4.1315 8.1223 115.0525 54.7071 42.1367 176.3869 112 E 3.6950 7.5267 117.4994 57.2470 27.0801 175.2458 113 V 3.8047 7.8168 117.6255 62.5328 32.8167 175.7720 114 S 4.2776 8.4920 122.0473 58.4110 63.8494 175.0751 115 S 4.0642 8.9175 118.0142 62.3208 61.6973 176.8541 116 T 4.1829 7.7918 116.0228 65.7096 68.5685 175.8336 117 D 4.5815 7.9970 119.1112 54.3689 41.4593 177.0184 118 K 4.3709 6.8511 118.0470 55.8490 32.7904 176.1836 119 L 4.2912 9.0221 126.7727 54.5827 42.7949 177.2261 120 E 3.9623 8.7543 124.8448 57.6582 30.2711 175.1747 121 I 3.5676 8.4129 120.9321 59.2673 35.2836 170.0098 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 4 S 8.29 4.46 0.00 4.15 4.10 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 0.00 0.00 0.00 5 D 8.42 4.29 0.00 2.79 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 6 L 8.06 4.34 0.00 1.90 1.82 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.91 3.72 2.15 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 1.14 0.00 0.00 1.01 0.00 0.00 8 T 7.77 3.87 4.27 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 1.22 0.00 0.00 9 K 7.90 4.01 0.00 2.01 2.08 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.53 7.81 10 F 8.38 4.19 0.00 3.15 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 11 E 8.32 3.84 0.00 2.23 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 2.32 2.30 0.00 12 S 7.66 4.18 0.00 4.06 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 13 L 6.97 4.48 0.00 1.57 1.46 0.89 0.44 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 14 I 8.09 3.59 1.75 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 1.21 0.71 0.83 0.00 0.00 15 I 7.64 3.30 1.77 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.80 0.00 0.00 16 S 7.32 3.87 0.00 3.00 2.84 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 0.00 0.00 0.00 17 K 8.38 4.23 0.00 1.70 1.74 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.24 7.81 *18 Y 7.52 4.46 0.00 2.30 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 0.00 0.00 0.00 0.00 19 P 0.00 4.85 0.00 2.22 1.91 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 *21 S 8.57 4.52 0.00 3.68 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 22 F 8.08 4.40 0.00 2.96 2.98 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 23 T 9.73 4.34 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 1.25 0.00 0.00 24 K 8.68 4.02 0.00 1.78 1.87 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.09 7.81 25 E 8.16 4.18 0.00 1.96 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 2.32 1.98 0.00 26 Q 7.78 3.97 0.00 2.09 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 27 S 8.23 4.23 0.00 3.93 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 28 A 7.91 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 3.93 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 30 A 7.95 4.17 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.95 1.44 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 0.00 0.00 0.00 32 Q 8.04 3.74 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 1.50 2.02 0.00 33 W 8.03 4.12 0.00 3.53 3.27 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 34 E 8.62 3.96 0.00 2.23 2.17 0.00 0.00 0.00 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 2.42 0.00 35 S 8.64 4.07 0.00 3.91 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 36 V 7.75 3.51 2.28 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 1.06 0.00 0.00 0.44 0.00 0.00 37 L 8.51 4.00 0.00 1.91 1.75 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.30 3.90 0.00 1.70 2.04 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 39 S 7.96 4.55 0.00 4.09 3.95 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 0.00 0.00 0.00 40 G 7.84 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 0.00 0.00 0.00 41 Q 7.83 4.78 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.93 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 42 I 7.84 4.07 1.94 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 1.43 1.15 0.98 0.00 0.00 43 Q 8.30 4.00 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 44 P 0.00 4.42 0.00 2.05 2.09 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 45 H 8.08 4.85 0.00 3.48 3.51 0.00 5.62 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.83 4.08 0.00 1.73 1.75 0.74 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.23 4.49 0.00 2.75 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 Q 8.15 4.02 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 L 8.44 3.93 0.00 1.87 1.82 -0.15 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.47 4.31 0.00 3.12 3.08 0.00 0.00 6.88 7.03 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 51 L 8.03 3.94 0.00 1.85 1.87 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.99 3.62 2.22 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 0.93 0.00 0.00 1.21 0.00 0.00 53 L 7.66 4.29 0.00 1.61 1.60 -0.05 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.50 3.61 0.00 1.70 2.00 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.30 0.00 55 D 7.29 4.78 0.00 2.80 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 56 N 7.45 4.94 0.00 2.68 2.70 0.00 0.00 6.85 8.33 0.00 0.00 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 T 8.70 3.52 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 58 F 7.36 5.10 0.00 3.13 3.27 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 59 I 9.04 3.34 1.70 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.22 0.26 0.00 0.00 60 V 7.75 3.99 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 0.20 0.00 0.00 0.96 0.00 0.00 61 S 7.96 3.67 0.00 4.17 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 62 T 7.81 4.65 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 63 L 8.21 4.10 0.00 0.94 0.87 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.28 4.78 0.00 2.94 2.78 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 65 P 0.00 3.69 0.00 2.00 1.51 0.00 3.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 66 T 8.63 4.83 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 1.50 0.00 0.00 67 S 8.54 3.68 0.00 4.00 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 68 T 7.95 3.95 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 69 D 7.61 4.66 0.00 2.81 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 70 V 7.30 3.44 1.73 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 1.02 0.00 0.00 0.02 0.00 0.00 71 H 8.57 4.31 0.00 3.28 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.09 3.89 2.20 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 0.86 0.00 0.00 0.83 0.00 0.00 73 F 8.86 4.22 0.00 2.67 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 74 E 8.29 3.75 0.00 2.17 2.21 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 2.34 2.32 0.00 75 V 7.33 3.87 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 0.98 0.00 0.00 0.96 0.00 0.00 76 A 8.24 3.99 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.74 3.66 0.00 0.56 1.11 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.15 0.00 2.25 2.23 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 79 L 7.52 3.88 0.00 1.89 1.63 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.99 3.61 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.12 0.97 0.00 0.00 81 K 8.26 3.90 0.00 2.01 1.86 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 82 D 8.09 4.38 0.00 2.92 2.80 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 83 L 8.00 3.97 0.00 1.76 1.76 0.72 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.19 3.65 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.04 0.00 0.00 85 A 8.25 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 86 S 7.97 4.49 0.00 4.01 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 87 S 7.26 4.19 0.00 3.96 3.80 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 88 K 8.56 4.03 0.00 1.75 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.47 7.81 89 D 8.13 4.24 0.00 2.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.29 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 0.22 0.00 0.00 0.79 0.00 0.00 91 K 7.88 3.97 0.00 1.88 1.92 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.57 7.81 92 S 8.47 4.12 0.00 4.04 4.13 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 93 T 7.64 3.84 4.15 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 1.39 0.00 0.00 94 Y 7.72 4.53 0.00 3.10 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 95 T 8.01 4.08 4.35 0.00 0.00 0.00 0.00 0.00 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 96 T 7.65 3.96 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 0.48 0.00 0.00 97 Y 7.49 4.99 0.00 3.11 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 98 R 8.44 3.99 0.00 1.58 1.89 0.00 3.10 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 99 H 7.88 4.44 0.00 3.32 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.95 3.88 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 1.13 0.00 0.00 101 L 8.35 4.08 0.00 1.96 1.74 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.03 3.93 0.00 1.98 2.21 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 103 W 8.37 4.27 0.00 3.36 3.42 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 0.00 104 I 8.87 3.64 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.95 1.06 0.00 0.00 105 D 8.36 4.32 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.91 3.88 0.00 3.21 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 0.00 107 M 8.11 3.76 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.92 0.00 108 Q 8.00 4.22 0.00 2.40 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 109 N 7.54 4.23 0.00 2.91 2.72 0.00 0.00 6.46 6.62 0.00 0.00 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 L 7.54 3.80 0.00 1.25 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.12 4.13 0.00 1.61 1.70 0.79 1.01 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 0.00 112 E 7.53 3.69 0.00 2.07 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 2.20 2.19 0.00 113 V 7.82 3.80 2.15 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 0.83 0.00 0.00 1.09 0.00 0.00 114 S 8.49 4.28 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 0.00 115 S 8.92 4.06 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.79 4.18 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 117 D 8.00 4.58 0.00 2.74 2.71 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 0.00 118 K 6.85 4.37 0.00 2.05 1.75 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.53 7.81 119 L 9.02 4.29 0.00 1.57 1.60 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.75 3.96 0.00 2.03 1.74 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 0.00 2.23 1.87 0.00 121 I 8.41 3.57 1.87 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 1.27 0.97 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.