NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4652 8.3349 115.4127 58.2497 64.9533 174.9319 -1 N 4.3138 8.2322 120.4834 56.3476 39.2803 176.6726 0 A 4.0659 8.0954 117.6405 53.1535 19.2740 178.4178 0 S 4.2159 8.1654 109.5405 58.9535 63.9740 175.2178 3 Q 4.1184 8.6264 119.5708 59.0557 28.3439 178.5992 4 E 4.2944 8.4685 120.3362 58.6045 29.6066 178.9735 5 A 4.0182 7.9937 120.5132 55.1644 18.4892 179.3023 6 F 4.2270 8.2522 118.6936 61.4205 39.3215 176.9494 7 E 3.8288 8.5986 118.6520 59.3698 29.2785 178.8253 8 N 4.2786 8.2588 116.9990 56.6063 39.0758 176.8255 9 K 3.9389 8.1098 120.9716 59.4041 32.0462 178.7530 10 L 3.8001 7.4754 118.3771 57.8663 41.8937 178.5629 11 Y 4.1099 8.1972 119.2752 60.5863 38.7634 177.7894 12 A 4.0306 8.1928 121.7253 55.4312 18.5384 179.3878 13 N 4.3792 8.0410 114.3348 55.8223 38.5445 177.0434 14 L 4.1245 7.5738 119.5147 56.2367 41.4825 178.5045 15 E 4.1104 7.9494 118.2026 58.2293 29.4386 177.7589 16 A 4.4366 7.7510 119.3270 51.2960 19.2041 176.6444 17 V 4.1148 7.4449 119.6252 61.4531 33.0155 174.6116 18 I 4.5598 8.1408 128.8240 59.5137 39.2845 175.0685 19 D 4.4475 8.9735 127.2748 53.2531 41.0956 175.3352 20 P 4.2790 0.0000 0.0000 65.1547 31.7040 177.9783 21 E 4.1346 8.5798 117.7004 58.2253 29.5140 177.5602 22 L 4.4033 7.9444 116.2416 53.7159 43.1826 177.0505 23 G 3.9071 8.3436 106.0950 46.0263 0.0000 173.3702 24 V 4.4346 7.2974 118.1851 59.8160 34.5425 174.8408 25 D 4.9512 8.3704 126.0104 53.2394 41.4525 177.6145 26 I 3.7141 8.4193 115.3930 63.7214 37.5437 178.8799 27 V 3.3511 7.5730 119.9083 66.1552 31.2986 177.6914 28 N 4.4722 8.9184 114.9150 56.0982 38.4157 177.1445 29 L 4.3916 7.8904 119.5695 55.7552 41.6734 178.0703 30 G 4.2509 7.8069 105.8058 47.0881 0.0000 174.6022 31 L 3.9847 7.9208 120.4619 55.9405 41.8442 177.3152 32 V 4.0270 7.6716 118.4844 61.8431 31.4138 174.6773 33 Y 4.7366 8.8237 126.7522 60.3662 38.5820 175.6733 34 D 4.8305 7.6808 116.7763 52.9970 45.0905 174.3960 35 V 4.9676 8.3621 123.2949 61.4832 34.1519 174.4761 36 T 5.0976 9.0038 117.4046 60.0024 72.2383 172.7619 37 A 5.3272 8.9799 123.9785 50.6689 22.8616 175.7605 38 D 4.7433 8.7386 120.7380 51.3453 41.7276 176.8537 39 E 3.8826 8.7319 119.0032 59.0223 29.3823 177.0787 40 N 4.7363 8.2190 113.5816 52.6259 38.9846 174.2377 41 N 4.1563 8.1548 114.2201 54.3159 36.7964 173.3754 42 N 5.2280 8.6769 115.7131 52.7045 40.2603 174.2139 43 A 5.3528 9.0442 124.1114 50.1101 22.8453 175.1054 44 V 4.7357 8.8021 120.6809 61.1571 34.5983 174.2477 45 I 4.8831 8.8924 129.3194 60.0405 39.2820 174.7231 46 T 5.0326 8.7380 124.2150 60.5519 70.7507 173.9093 *48 T 4.2067 8.5757 117.1300 61.9491 67.6625 175.8944 *50 T 3.6523 8.5230 107.0989 60.8170 70.6653 173.9422 51 S 4.7986 7.4950 114.3250 56.6887 65.7630 174.9662 52 I 2.3992 8.3029 122.7227 64.1014 36.8305 178.1073 53 G 3.5196 7.8510 107.5547 47.2721 0.0000 172.7137 54 C 3.6819 7.6974 119.8749 59.5307 31.6999 172.8488 55 P 4.4481 0.0000 0.0000 62.4482 30.8021 177.0660 *57 A 4.3874 8.0806 123.1709 52.2697 20.9984 179.8591 58 G 3.5832 8.0109 102.0306 47.9701 0.0000 175.5257 59 Q 3.9844 7.9821 121.5173 58.9944 29.0617 178.2701 60 I 3.7165 7.6000 120.4537 64.2352 37.1393 178.4410 61 V 3.5268 8.0051 119.4027 65.9285 31.3729 178.0590 62 S 4.0951 8.1708 112.9770 61.4853 62.1434 175.9344 63 D 4.3509 8.1680 121.7174 57.0003 40.5005 178.7093 64 V 3.5282 8.0320 119.2410 66.1987 31.5516 178.3920 65 K 4.0301 7.8336 117.7715 59.0015 31.7879 179.4871 66 K 3.8939 8.0068 120.1555 59.3609 32.2156 179.0603 67 V 3.5328 8.0404 118.8803 66.0495 31.4060 178.0542 68 L 3.9691 7.8895 118.8774 57.8602 41.3782 179.7328 69 S 4.1491 8.0810 113.9451 61.2284 62.5961 176.6394 70 T 4.0677 7.6438 118.7949 66.4035 68.6764 176.4107 71 N 4.6182 8.4908 116.6507 54.1616 40.2682 175.6898 72 V 4.5216 7.8719 119.5783 60.7791 31.2505 174.2241 73 P 4.6779 0.0000 0.0000 63.7675 31.8590 177.7907 74 E 4.1909 8.1232 116.6594 57.4872 30.0975 177.5094 75 V 4.1612 8.0845 120.4311 62.2532 33.4500 175.5251 76 N 4.8907 8.7204 117.8069 53.1477 39.2865 178.5749 77 E 4.1658 8.4366 129.2658 57.3652 31.1094 174.3720 78 I 4.8891 8.1925 124.5849 59.7251 40.4570 174.0683 79 E 4.6069 9.2322 129.2894 54.2975 31.8343 174.6623 80 V 4.7331 8.3900 126.2851 61.3343 33.5163 174.1207 81 N 4.7991 9.0426 126.9144 51.6573 40.3597 174.3633 82 V 3.9065 8.2356 124.7481 61.7964 31.9602 175.5611 83 V 4.2325 7.6984 120.0588 59.3840 34.7300 175.9141 84 W 5.0038 8.4987 118.6223 56.3018 30.4509 175.1170 85 N 5.1007 8.0558 117.0822 50.7719 41.0626 172.1578 86 P 4.5773 0.0000 0.0000 61.8324 32.2614 174.3750 87 P 4.6655 0.0000 0.0000 62.0402 31.9687 176.5470 88 W 4.5061 8.8888 131.9091 57.7969 31.5243 174.9701 89 S 4.1028 6.8619 116.2831 56.1348 65.3036 175.1490 90 K 3.4134 7.7047 119.7229 59.2158 32.4224 178.2263 91 E 3.9449 7.1989 117.6979 59.0923 29.2800 178.0823 92 R 4.0281 7.3806 119.3521 55.2291 28.1898 175.6651 *94 S 4.2074 7.8488 116.8821 57.4833 64.4988 175.7656 95 R 3.9887 8.4146 115.7389 57.5859 29.7992 177.5691 *97 A 4.3063 8.0642 121.0267 51.8178 20.5841 179.9032 98 K 4.0200 8.3512 115.4115 59.5780 32.1588 179.6693 99 I 3.6643 8.0355 119.8707 64.4917 37.0443 178.4151 100 A 4.1285 8.0025 121.0031 55.0138 18.0293 179.0838 101 L 3.8092 8.0161 116.1066 56.7643 41.9681 179.2636 102 G 3.7210 7.8748 105.1598 46.9606 0.0000 175.1168 103 I 4.2330 7.1270 119.6023 62.2165 38.1537 175.9281 104 R 4.2267 8.5860 120.4160 56.1478 29.3713 175.2578 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 S 8.33 4.47 0.00 3.99 4.03 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 -1 N 8.23 4.31 0.00 2.85 2.89 0.00 0.00 6.87 6.53 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 A 8.10 4.07 1.29 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 S 8.17 4.22 0.00 3.67 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 3 Q 8.63 4.12 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 4 E 8.47 4.29 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 2.54 2.44 0.00 5 A 7.99 4.02 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 6 F 8.25 4.23 0.00 3.21 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 7 E 8.60 3.83 0.00 2.18 1.97 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 2.44 2.49 0.00 8 N 8.26 4.28 0.00 2.92 3.00 0.00 0.00 6.88 5.94 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 9 K 8.11 3.94 0.00 1.87 1.82 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.47 7.81 10 L 7.48 3.80 0.00 1.63 1.58 0.68 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.20 4.11 0.00 3.11 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 12 A 8.19 4.03 1.40 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 0.00 0.00 13 N 8.04 4.38 0.00 2.85 2.83 0.00 0.00 7.06 6.72 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 14 L 7.57 4.12 0.00 1.61 1.50 0.82 0.71 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 15 E 7.95 4.11 0.00 2.03 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 2.26 2.27 0.00 16 A 7.75 4.44 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 17 V 7.44 4.11 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 0.96 0.00 0.00 0.87 0.00 0.00 18 I 8.14 4.56 1.84 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 1.20 0.98 0.94 0.00 0.00 19 D 8.97 4.45 0.00 2.63 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 20 P 0.00 4.28 0.00 2.05 2.08 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 21 E 8.58 4.13 0.00 2.01 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 2.32 2.24 0.00 22 L 7.94 4.40 0.00 1.58 1.70 0.89 0.91 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 23 G 8.34 3.91 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 0.00 0.00 0.00 24 V 7.30 4.43 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 1.15 0.00 0.00 1.01 0.00 0.00 25 D 8.37 4.95 0.00 3.06 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 26 I 8.42 3.71 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.85 0.00 0.00 27 V 7.57 3.35 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 0.91 0.00 0.00 0.28 0.00 0.00 28 N 8.92 4.47 0.00 2.76 2.90 0.00 0.00 7.18 8.07 0.00 0.00 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 L 7.89 4.39 0.00 1.79 1.77 0.76 0.96 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 30 G 7.81 4.25 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 0.00 31 L 7.92 3.98 0.00 1.53 1.68 0.66 0.06 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 32 V 7.67 4.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.82 0.00 0.00 33 Y 8.82 4.74 0.00 3.05 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 34 D 7.68 4.83 0.00 2.83 2.50 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 35 V 8.36 4.97 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 0.95 0.00 0.00 1.11 0.00 0.00 36 T 9.00 5.10 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 1.25 0.00 0.00 37 A 8.98 5.33 1.45 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 38 D 8.74 4.74 0.00 2.93 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 39 E 8.73 3.88 0.00 1.94 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 2.27 2.33 0.00 40 N 8.22 4.74 0.00 2.82 2.77 0.00 0.00 6.95 8.00 0.00 0.00 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 N 8.15 4.16 0.00 2.84 2.82 0.00 0.00 7.03 6.42 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 42 N 8.68 5.23 0.00 2.92 2.75 0.00 0.00 6.70 7.21 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 43 A 9.04 5.35 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 44 V 8.80 4.74 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 0.98 0.00 0.00 0.95 0.00 0.00 45 I 8.89 4.88 1.84 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 1.22 0.91 0.88 0.00 0.00 46 T 8.74 5.03 4.30 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 1.24 0.00 0.00 *48 T 8.58 4.21 3.52 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 1.06 0.00 0.00 *50 T 8.52 3.65 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 0.17 0.00 0.00 51 S 7.49 4.80 0.00 3.99 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 52 I 8.30 2.40 1.53 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.21 0.20 0.00 0.00 53 G 7.85 3.52 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 0.00 54 C 7.70 3.68 0.00 3.07 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 55 P 0.00 4.45 0.00 2.07 2.02 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 *57 A 8.08 4.39 1.38 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 0.00 0.00 58 G 8.01 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 3.98 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 60 I 7.60 3.72 1.81 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 1.46 0.50 0.82 0.00 0.00 61 V 8.01 3.53 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 0.96 0.00 0.00 0.93 0.00 0.00 62 S 8.17 4.10 0.00 3.93 4.01 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 63 D 8.17 4.35 0.00 2.91 2.66 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 0.00 0.00 0.00 0.00 64 V 8.03 3.53 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 0.98 0.00 0.00 0.93 0.00 0.00 65 K 7.83 4.03 0.00 1.93 1.83 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 66 K 8.01 3.89 0.00 1.92 1.90 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 V 8.04 3.53 2.14 0.00 0.00 0.00 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 0.93 0.00 0.00 68 L 7.89 3.97 0.00 1.74 1.68 0.88 0.85 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 69 S 8.08 4.15 0.00 4.08 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 4.07 4.28 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 1.21 0.00 0.00 71 N 8.49 4.62 0.00 2.69 2.86 0.00 0.00 6.81 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 72 V 7.87 4.52 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 1.32 0.00 0.00 0.90 0.00 0.00 73 P 0.00 4.68 0.00 2.24 2.26 0.00 3.46 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 74 E 8.12 4.19 0.00 2.06 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 2.35 2.20 0.00 75 V 8.08 4.16 2.36 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 0.80 0.00 0.00 1.16 0.00 0.00 76 N 8.72 4.89 0.00 2.75 2.06 0.00 0.00 6.90 7.60 0.00 0.00 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 E 8.44 4.17 0.00 2.12 1.87 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 2.32 2.31 0.00 78 I 8.19 4.89 1.88 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 1.26 0.98 0.91 0.00 0.00 79 E 9.23 4.61 0.00 2.19 1.93 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 2.28 2.22 0.00 80 V 8.39 4.73 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 0.81 0.00 0.00 0.90 0.00 0.00 81 N 9.04 4.80 0.00 2.61 2.68 0.00 0.00 6.19 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 82 V 8.24 3.91 1.93 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 0.13 0.00 0.00 0.78 0.00 0.00 83 V 7.70 4.23 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 0.85 0.00 0.00 0.85 0.00 0.00 84 W 8.50 5.00 0.00 3.33 3.22 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 85 N 8.06 5.10 0.00 2.72 2.73 0.00 0.00 7.10 7.69 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 86 P 0.00 4.58 0.00 2.20 2.01 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 87 P 0.00 4.67 0.00 2.18 2.19 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 88 W 8.89 4.51 0.00 3.35 3.33 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 89 S 6.86 4.10 0.00 3.72 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 90 K 7.70 3.41 0.00 1.82 1.95 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.23 1.35 7.81 91 E 7.20 3.94 0.00 1.86 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 2.27 2.17 0.00 92 R 7.38 4.03 0.00 1.77 1.97 0.00 3.18 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.35 0.00 *94 S 7.85 4.21 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 95 R 8.41 3.99 0.00 1.88 1.95 0.00 3.21 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 *97 A 8.06 4.31 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.02 0.00 1.96 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.70 7.81 99 I 8.04 3.66 1.88 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 1.46 0.86 0.92 0.00 0.00 100 A 8.00 4.13 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 0.00 101 L 8.02 3.81 0.00 1.78 1.78 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.87 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 0.00 0.00 0.00 103 I 7.13 4.23 1.97 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 1.68 0.97 0.92 0.00 0.00 104 R 8.59 4.23 0.00 1.82 1.86 0.00 3.10 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.