NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1383 8.2649 123.5837 49.8086 21.0841 173.2269 2 K 3.5561 7.9361 121.0074 54.9024 32.1342 174.6283 3 Q 3.9251 8.6177 125.8060 59.4045 30.0522 177.4197 4 S 4.0641 8.1824 114.4774 62.4252 62.7826 176.1904 5 M 4.0198 7.9906 122.2241 57.3800 31.3132 178.1191 6 K 3.7576 8.3916 119.7880 60.0423 32.2726 178.5416 7 A 3.7916 8.2118 120.5319 54.9084 18.4445 179.2238 8 R 3.7821 8.0147 117.4037 59.9312 29.8710 177.9211 9 E 3.9211 8.0946 118.3086 59.3950 29.5948 178.6711 10 V 3.5752 7.3845 117.8378 66.6776 31.5177 177.6056 11 K 4.0118 8.1588 118.1461 59.1816 31.7652 179.0099 12 R 4.0073 7.8989 117.3819 60.2713 30.2884 178.4339 13 V 3.5645 7.7559 117.5921 65.5474 31.2868 177.4559 14 A 4.2056 7.9749 121.1561 54.6384 18.4729 179.3121 15 L 3.8204 7.7349 116.4675 58.0939 41.7544 179.4926 16 A 4.8458 8.1097 121.7637 55.2875 18.0513 179.0966 17 D 4.3620 8.1388 116.7474 57.2186 40.7030 178.8741 18 K 3.9393 8.1063 119.0675 57.9615 32.5713 177.9468 19 Y 4.0558 8.7741 114.9101 58.4750 36.9698 178.0237 20 F 4.6773 5.4600 127.3589 61.5606 39.8736 177.8104 21 A 4.1083 8.0845 121.9659 54.6363 18.0885 178.0781 22 K 4.9851 9.0122 111.9775 55.0258 33.7990 176.8056 23 R 4.5457 7.6373 116.0437 55.2931 32.5876 177.2286 24 A 4.2778 9.9839 120.1676 54.5723 18.0601 178.9640 25 E 3.9004 8.5770 116.2484 59.9675 29.1149 179.2506 26 L 3.8429 7.7164 121.3345 58.6393 40.7350 178.0588 27 K 3.8528 8.4668 117.9774 59.8426 31.8401 178.2199 28 A 4.3012 8.0202 125.4861 53.2008 18.7938 178.4031 29 I 3.5698 7.8672 117.2882 63.6034 35.9393 177.5736 30 I 3.7543 5.4200 128.5154 65.2386 38.5829 178.6391 31 S 4.8294 7.4026 115.2308 57.5054 61.0716 172.0973 32 D 4.4129 7.2018 118.1566 53.2871 44.2259 174.2221 33 V 3.8605 8.2170 120.7819 62.9084 30.1590 173.5016 34 N 4.6451 7.8520 128.6723 52.6499 45.1070 175.5382 35 A 4.0062 8.2096 122.8794 53.1475 20.2612 177.9806 *40 R 4.8071 7.6262 114.5502 56.0082 30.4658 174.1624 41 W 5.2865 8.6370 134.4145 55.2682 33.9918 174.9685 42 N 4.5179 8.5832 122.6135 56.4416 38.7156 177.1437 43 A 4.0163 7.7501 121.9611 55.1193 17.9819 179.7687 44 V 3.7901 7.9828 116.9740 64.4767 31.3809 177.7092 45 L 4.2177 7.9089 119.6412 56.7138 42.0606 177.7639 46 K 4.3444 7.7855 116.7222 57.9769 32.9021 177.9773 47 L 4.1435 7.5261 120.4103 58.0648 41.8412 178.6622 48 Q 4.4499 8.3155 115.5631 58.1371 28.7829 177.5378 49 T 4.2233 7.7195 117.5563 63.2581 67.2358 172.2051 50 L 4.3680 7.8753 133.4971 55.1487 46.3442 173.8639 51 P 3.9332 0.0000 0.0000 65.1375 31.8266 176.0339 52 R 3.9377 7.8169 120.1278 56.6701 29.4688 176.4826 53 D 4.6485 8.4444 115.7662 55.8153 41.4107 177.0191 54 S 4.6128 7.8284 113.7250 58.5406 62.9175 174.0584 55 S 4.7031 8.2818 116.3660 58.4696 63.0880 172.7222 56 P 4.4383 0.0000 0.0000 65.9306 31.5824 177.4311 57 S 5.0715 7.7743 114.6178 59.0661 62.6321 174.7607 58 R 4.5740 7.7346 117.8833 56.0096 32.5713 176.7148 59 Q 4.4129 7.4856 116.4121 55.6795 29.2126 175.8178 60 R 4.4154 9.0623 116.8944 56.5903 29.2732 178.8783 61 N 3.4291 8.5711 112.7920 51.1848 39.1353 172.4650 62 R 4.3818 7.3219 121.6342 55.9804 30.2853 176.0844 63 C 4.2688 8.5744 120.9475 59.7435 31.9394 173.6823 64 R 3.9522 8.6354 128.5580 59.8629 29.6146 177.1513 65 Q 4.1445 8.0205 117.4751 58.8478 30.9191 177.4731 66 T 4.1044 8.1468 106.9218 61.6663 67.3165 175.3230 67 G 4.6715 8.9074 108.0124 45.3456 0.0000 173.2428 68 R 3.9620 7.6796 120.3479 55.4206 29.8953 176.0284 69 P 4.3636 0.0000 0.0000 65.0180 33.2474 176.8023 70 H 4.5350 8.4549 113.8577 56.1930 27.0729 176.7751 71 G 4.2134 8.8456 124.6170 45.5803 0.0000 172.4785 72 F 5.5117 8.5915 127.7292 56.1946 43.5056 174.3164 73 L 4.3557 6.6219 120.6926 53.2559 44.4660 177.1754 74 R 3.9888 8.9455 124.0042 59.3026 29.7295 177.9407 75 K 3.4610 7.4885 115.8244 60.1461 32.2491 177.3591 76 F 4.2548 7.2497 118.4231 58.4482 39.6449 177.1045 77 G 3.7046 9.1516 109.0065 45.4690 0.0000 172.3906 78 L 4.9906 7.1774 118.6916 51.9329 45.4245 175.9103 79 S 5.4486 8.4943 113.9954 57.2511 63.6737 175.3830 80 R 3.9674 8.5192 117.2327 59.0469 28.7530 178.9009 81 I 3.7031 7.5768 120.1079 64.0709 37.7004 177.9661 82 K 3.8723 7.6202 118.3853 59.6600 31.7187 179.1954 83 V 3.3092 7.6575 118.2496 65.6269 31.1795 177.6057 84 R 3.7566 7.2105 117.9173 60.1248 30.2645 177.4404 85 E 3.8218 8.3646 118.0010 60.1414 29.5070 178.7363 86 A 3.9848 8.2890 119.9641 54.9912 18.3872 179.2643 87 A 3.9930 7.9718 118.4926 54.6256 18.6718 179.3660 88 M 4.1952 7.9042 117.7660 58.1230 32.1018 178.4615 89 R 4.0304 7.7591 113.1435 56.2453 30.0262 176.4189 90 G 3.8611 7.6406 105.4606 46.9652 0.0000 174.7721 91 E 4.3410 8.2001 117.6514 56.1370 30.3364 176.7541 92 I 4.5344 7.3356 120.1131 58.3350 39.8236 173.6066 93 P 4.3391 0.0000 0.0000 63.5435 31.8668 178.0326 94 G 3.9252 8.6337 106.4200 46.2695 0.0000 173.1437 95 L 4.4713 7.8376 122.3021 53.6675 42.8220 175.5781 96 K 4.4158 8.2994 123.2555 55.2714 35.0567 174.6556 97 K 3.7300 8.7275 118.7984 56.7391 31.7545 176.9613 98 A 4.4202 8.4992 126.9736 52.1649 19.2211 176.4058 99 S 4.5621 7.9912 111.9690 57.6391 65.1264 176.2184 100 W 4.0383 8.1606 118.0509 57.5788 27.2136 174.2308 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 1 A 8.26 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 3.56 0.00 2.04 1.83 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 3 Q 8.62 3.93 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.18 4.06 0.00 4.08 4.12 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 5 M 7.99 4.02 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 6 K 8.39 3.76 0.00 2.03 1.89 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.49 7.81 7 A 8.21 3.79 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.01 3.78 0.00 2.09 2.14 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 9 E 8.09 3.92 0.00 2.13 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 0.00 2.28 2.34 0.00 10 V 7.38 3.58 2.18 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 0.98 0.00 0.00 0.93 0.00 0.00 11 K 8.16 4.01 0.00 1.93 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.61 7.81 12 R 7.90 4.01 0.00 1.97 2.12 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.66 0.00 13 V 7.76 3.56 2.30 0.00 0.00 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 1.00 0.00 0.00 14 A 7.97 4.21 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 15 L 7.73 3.82 0.00 1.80 1.62 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.11 4.85 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.36 0.00 2.78 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 18 K 8.11 3.94 0.00 1.82 2.02 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.77 7.81 19 Y 8.77 4.06 0.00 3.08 2.38 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 0.00 20 F 5.46 4.68 0.00 3.41 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.08 4.11 1.42 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 0.00 0.00 22 K 9.01 4.99 0.00 1.63 1.77 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.48 7.81 23 R 7.64 4.55 0.00 1.82 1.84 0.00 2.53 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.00 24 A 9.98 4.28 1.31 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 0.00 0.00 0.00 25 E 8.58 3.90 0.00 2.17 2.26 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 2.39 2.34 0.00 26 L 7.72 3.84 0.00 1.74 1.90 1.06 0.39 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 27 K 8.47 3.85 0.00 2.02 1.90 0.00 1.35 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.76 1.55 7.81 28 A 8.02 4.30 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 29 I 7.87 3.57 1.99 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 1.28 0.76 0.87 0.00 0.00 30 I 5.42 3.75 1.91 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 1.25 0.73 0.88 0.00 0.00 31 S 7.40 4.83 0.00 3.86 3.90 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 0.00 0.00 0.00 32 D 7.20 4.41 0.00 2.69 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 33 V 8.22 3.86 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 0.89 0.00 0.00 0.94 0.00 0.00 34 N 7.85 4.65 0.00 2.75 2.63 0.00 0.00 6.21 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 35 A 8.21 4.01 1.02 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 0.00 0.00 *40 R 7.63 4.81 0.00 2.01 2.05 0.00 3.11 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 41 W 8.64 5.29 0.00 3.16 2.88 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 42 N 8.58 4.52 0.00 2.74 2.64 0.00 0.00 7.06 7.73 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 43 A 7.75 4.02 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 44 V 7.98 3.79 2.35 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 1.05 0.00 0.00 1.01 0.00 0.00 45 L 7.91 4.22 0.00 1.72 1.92 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.79 4.34 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.71 7.81 47 L 7.53 4.14 0.00 1.85 1.94 0.95 0.59 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 48 Q 8.32 4.45 0.00 2.48 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 49 T 7.72 4.22 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 1.23 0.00 0.00 50 L 7.88 4.37 0.00 1.55 1.64 0.93 1.19 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 51 P 0.00 3.93 0.00 1.72 1.81 0.00 4.18 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.18 0.00 52 R 7.82 3.94 0.00 2.10 1.83 0.00 3.26 0.00 0.00 3.39 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 53 D 8.44 4.65 0.00 2.67 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 54 S 7.83 4.61 0.00 3.64 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.28 4.70 0.00 4.03 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 56 P 0.00 4.44 0.00 2.20 2.30 0.00 3.56 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 2.01 1.90 0.00 57 S 7.77 5.07 0.00 3.87 3.90 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 0.00 0.00 0.00 58 R 7.73 4.57 0.00 1.98 1.92 0.00 3.36 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 59 Q 7.49 4.41 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.42 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 60 R 9.06 4.42 0.00 1.72 1.89 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.53 0.00 61 N 8.57 3.43 0.00 1.66 1.42 0.00 0.00 7.23 7.66 0.00 0.00 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 R 7.32 4.38 0.00 1.96 2.00 0.00 3.25 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 63 C 8.57 4.27 0.00 3.06 3.10 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 64 R 8.64 3.95 0.00 2.18 2.02 0.00 3.44 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 65 Q 8.02 4.14 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 66 T 8.15 4.10 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 1.23 0.00 0.00 67 G 8.91 4.67 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 0.00 0.00 0.00 68 R 7.68 3.96 0.00 1.96 1.98 0.00 3.17 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 69 P 0.00 4.36 0.00 2.02 2.11 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 70 H 8.45 4.53 0.00 3.21 2.81 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.85 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 0.00 0.00 0.00 0.00 72 F 8.59 5.51 0.00 3.17 2.95 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 73 L 6.62 4.36 0.00 1.57 1.56 1.06 1.02 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 74 R 8.95 3.99 0.00 1.78 2.06 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 75 K 7.49 3.46 0.00 1.28 0.93 0.00 1.38 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.62 7.81 76 F 7.25 4.25 0.00 2.97 3.01 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 77 G 9.15 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.18 4.99 0.00 1.69 1.54 0.97 0.81 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 79 S 8.49 5.45 0.00 4.05 4.09 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 80 R 8.52 3.97 0.00 2.07 2.27 0.00 2.97 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 81 I 7.58 3.70 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.58 0.90 0.00 0.00 82 K 7.62 3.87 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 83 V 7.66 3.31 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 0.42 0.00 0.00 0.85 0.00 0.00 84 R 7.21 3.76 0.00 1.62 2.07 0.00 3.32 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 85 E 8.36 3.82 0.00 2.04 2.01 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 2.29 2.34 0.00 86 A 8.29 3.98 1.31 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 0.00 0.00 0.00 87 A 7.97 3.99 1.24 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 0.00 0.00 0.00 88 M 7.90 4.20 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.84 0.00 89 R 7.76 4.03 0.00 1.79 1.95 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 90 G 7.64 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.20 4.34 0.00 2.02 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 2.28 2.35 0.00 92 I 7.34 4.53 1.81 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.53 1.02 0.00 0.00 93 P 0.00 4.34 0.00 2.24 2.20 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 94 G 8.63 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.84 4.47 0.00 1.72 1.59 1.07 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.30 4.42 0.00 1.87 1.74 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.48 7.81 97 K 8.73 3.73 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 98 A 8.50 4.42 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.99 4.56 0.00 3.90 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 0.00 100 W 8.16 4.04 0.00 3.39 3.18 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 * Residues marked with a * may have inaccurate shift predictions.