NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3324 8.2493 123.5821 52.3710 19.9850 175.4639 3 T 4.5111 7.7681 109.0215 59.1305 72.0522 170.9299 4 G 4.2501 8.5869 111.2991 45.8784 0.0000 173.4378 5 I 4.3832 7.5016 120.0140 58.9573 38.8665 175.9530 6 V 4.0319 8.2843 124.4254 62.8972 31.5742 175.6800 7 K 4.2758 9.0451 130.0785 58.8431 32.5189 176.6365 8 W 5.1038 7.7986 112.7923 56.0602 31.1665 173.2954 9 F 4.2737 8.8643 122.3770 57.2390 41.6746 172.5311 10 N 4.9382 7.4413 124.6158 51.4268 38.6762 175.8017 11 D 4.4438 8.9495 122.5136 55.6416 40.9931 177.0966 12 A 3.9244 7.4498 122.4792 54.3112 18.6920 178.2358 13 K 4.1349 8.1420 114.8657 56.4844 33.8720 176.9823 14 G 3.5306 8.1955 108.2951 45.9317 0.0000 172.4248 15 F 4.6369 6.3191 112.2730 55.5752 42.2349 172.9482 16 G 3.5540 7.9098 103.7381 45.4326 0.0000 171.4368 17 F 5.2281 8.6139 118.4150 55.7824 43.4078 174.1040 18 I 4.9091 9.0791 124.2665 60.0386 39.4898 174.9322 19 T 4.9693 8.9967 124.4957 61.3855 69.4039 172.8873 20 P 4.6718 0.0000 0.0000 62.4386 32.3965 176.2832 21 D 4.4457 8.9989 122.4939 56.5756 39.9606 177.6868 22 E 4.1760 7.9870 117.6904 55.0089 29.2664 176.2238 23 G 3.8370 8.1551 107.5353 45.5671 0.0000 170.6668 24 G 3.7342 8.4749 102.8958 44.2120 0.0000 172.9844 25 E 4.5387 8.3573 117.4924 54.9226 31.0808 176.1080 26 D 4.8512 8.6142 121.2635 55.0119 42.3758 175.2032 27 L 4.9061 9.2262 122.4170 52.9322 44.2894 175.6208 28 F 3.7273 8.7561 125.5153 57.7406 40.3648 174.4089 29 A 4.4412 7.7132 127.1773 50.2747 21.5749 174.7624 30 H 4.8025 8.6173 121.6616 55.8252 31.2543 176.2119 31 F 4.3438 9.2995 121.3543 59.9822 37.7053 177.7496 32 S 3.5747 6.8074 113.9981 60.1528 62.7032 174.8536 33 A 4.1430 7.7013 122.9154 53.5082 18.3564 177.6483 34 I 3.9103 7.6846 118.5125 61.1847 37.7212 175.9121 35 N 4.6865 8.5496 124.1825 52.4975 40.6872 174.3649 *37 E 4.3332 8.5721 115.6206 56.4685 31.2762 177.8957 38 G 3.3508 7.9224 105.7309 46.8421 0.0000 173.9288 39 F 4.8711 7.8092 117.4196 57.0465 40.2993 176.7532 40 K 4.2112 8.2229 120.5532 58.0407 32.1682 176.2165 41 T 4.6683 7.1067 109.6942 59.9593 70.3202 172.3849 42 L 4.9162 8.1769 123.0980 52.8975 43.8820 176.3867 43 K 4.6211 8.6884 120.6263 54.0003 34.9767 175.6143 44 E 4.1618 8.6161 123.4577 57.8404 29.8179 176.9206 45 G 4.0117 8.9575 115.1106 45.2422 0.0000 173.2658 46 Q 4.0302 7.7413 121.4867 55.9183 29.7696 175.1596 47 R 4.3854 8.5515 126.0411 56.1102 31.3102 175.3402 48 V 5.1201 8.4279 118.4677 59.7371 36.0511 174.7251 49 S 4.6675 8.9484 117.8280 56.9620 65.8466 172.7965 50 F 5.2902 7.3095 113.6511 56.2425 40.2317 173.2441 51 D 4.7565 8.8951 120.2381 54.3079 42.2207 175.4339 52 V 4.9449 8.2938 120.7991 61.6788 33.7452 174.6685 53 T 4.6750 8.6004 120.7054 61.1621 71.4329 172.5589 54 T 4.7457 8.6027 124.2986 62.8700 69.3081 174.0639 55 G 4.4042 8.6410 118.1312 42.2389 0.0000 170.8002 56 P 4.1798 0.0000 0.0000 65.8068 31.2401 177.7895 57 K 4.2526 8.0090 113.5408 56.7876 33.0339 177.2461 58 G 3.9509 8.0365 105.5932 43.6558 0.0000 174.2030 59 K 4.6295 8.4675 126.8160 56.4628 32.1677 176.4269 60 Q 4.6110 9.3628 124.9172 54.1956 32.8084 173.9573 61 A 4.4929 8.3802 122.1028 51.5074 19.2049 176.9442 62 A 4.5067 9.2416 124.8642 49.7218 22.4048 175.4570 63 N 4.2294 8.5128 114.6178 54.7021 37.3742 174.5329 64 I 4.4068 7.5677 117.1235 61.7175 38.4102 176.9447 65 Q 4.7263 9.4083 124.3784 53.6094 33.6641 174.3120 66 A 4.4042 8.5590 122.4921 52.2842 19.1997 177.5599 67 A 4.2186 8.3774 122.5101 52.1390 19.1217 175.9529 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 A 8.25 4.33 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 3 T 7.77 4.51 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 1.20 0.00 0.00 4 G 8.59 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 5 I 7.50 4.38 1.92 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 1.22 0.99 0.96 0.00 0.00 6 V 8.28 4.03 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 0.81 0.00 0.00 0.95 0.00 0.00 7 K 9.05 4.28 0.00 1.94 2.26 0.00 2.19 0.00 0.00 2.08 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.51 7.81 8 W 7.80 5.10 0.00 3.56 3.17 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 0.00 0.00 0.00 9 F 8.86 4.27 0.00 2.88 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 10 N 7.44 4.94 0.00 2.90 2.97 0.00 0.00 6.57 8.24 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 11 D 8.95 4.44 0.00 2.67 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 12 A 7.45 3.92 1.20 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 13 K 8.14 4.13 0.00 1.90 1.90 0.00 1.53 0.00 0.00 1.35 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.86 0.87 7.81 14 G 8.20 3.53 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 0.00 15 F 6.32 4.64 0.00 2.15 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 16 G 7.91 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.61 5.23 0.00 3.11 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 18 I 9.08 4.91 1.93 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 1.27 0.69 1.03 0.00 0.00 19 T 9.00 4.97 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 1.27 0.00 0.00 20 P 0.00 4.67 0.00 2.35 2.09 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 21 D 9.00 4.45 0.00 2.81 2.86 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 22 E 7.99 4.18 0.00 2.09 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 2.27 2.38 0.00 23 G 8.16 3.84 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 0.00 0.00 0.00 24 G 8.47 3.73 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 0.00 0.00 0.00 25 E 8.36 4.54 0.00 2.00 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 2.30 2.41 0.00 26 D 8.61 4.85 0.00 2.85 2.94 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 27 L 9.23 4.91 0.00 1.63 1.59 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.76 3.73 0.00 2.61 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 29 A 7.71 4.44 1.16 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 0.00 0.00 30 H 8.62 4.80 0.00 3.35 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.30 4.34 0.00 3.31 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 32 S 6.81 3.57 0.00 3.69 3.37 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 33 A 7.70 4.14 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 34 I 7.68 3.91 2.02 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 1.01 0.00 0.00 35 N 8.55 4.69 0.00 2.74 2.73 0.00 0.00 7.18 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 *37 E 8.57 4.33 0.00 2.35 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 0.00 2.30 2.38 0.00 38 G 7.92 3.35 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 0.00 0.00 0.00 0.00 39 F 7.81 4.87 0.00 2.96 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 40 K 8.22 4.21 0.00 1.76 1.88 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.39 7.81 41 T 7.11 4.67 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 1.18 0.00 0.00 42 L 8.18 4.92 0.00 1.67 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.69 4.62 0.00 1.88 1.66 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.42 7.81 44 E 8.62 4.16 0.00 1.92 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 2.30 2.32 0.00 45 G 8.96 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 0.00 0.00 0.00 46 Q 7.74 4.03 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 47 R 8.55 4.39 0.00 1.96 1.80 0.00 3.18 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 48 V 8.43 5.12 2.29 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 0.87 0.00 0.00 1.16 0.00 0.00 49 S 8.95 4.67 0.00 3.64 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 50 F 7.31 5.29 0.00 3.15 3.04 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 51 D 8.90 4.76 0.00 2.71 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 52 V 8.29 4.94 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 0.82 0.00 0.00 1.21 0.00 0.00 53 T 8.60 4.67 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 1.30 0.00 0.00 54 T 8.60 4.75 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 55 G 8.64 4.40 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 0.00 56 P 0.00 4.18 0.00 2.04 2.13 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 57 K 8.01 4.25 0.00 1.87 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.36 7.81 58 G 8.04 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 0.00 0.00 0.00 59 K 8.47 4.63 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 60 Q 9.36 4.61 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 61 A 8.38 4.49 0.67 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 62 A 9.24 4.51 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 63 N 8.51 4.23 0.00 2.82 2.86 0.00 0.00 7.01 7.94 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 64 I 7.57 4.41 1.92 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 1.42 0.69 1.00 0.00 0.00 65 Q 9.41 4.73 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 66 A 8.56 4.40 1.11 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 0.00 0.00 67 A 8.38 4.22 1.17 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.