NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2339 8.0393 113.9974 62.0213 33.5603 173.1896 2 R 4.3113 8.8212 117.8208 55.3414 33.4446 171.8840 3 D 5.3748 8.5763 119.5015 51.9626 44.5143 176.7595 4 A 3.0905 6.5030 123.3738 50.9711 23.0848 173.8650 5 Y 4.8037 7.6954 116.1562 57.5436 39.0180 175.7829 6 I 3.9572 8.5931 125.8172 60.9223 39.4852 175.6864 7 A 5.5727 8.2986 130.4951 50.5572 20.0984 175.1459 8 K 4.4307 7.8896 116.1888 57.2714 34.8600 175.3794 9 N 4.6116 7.8376 115.2735 54.8019 41.8751 174.8883 10 Y 4.8243 7.3482 112.7552 57.3260 38.7368 175.5147 11 N 4.4540 7.9101 114.1582 55.0551 36.5465 175.1845 12 C 5.1479 7.5925 113.8882 55.2523 44.3708 174.8083 13 V 5.1802 7.8191 114.6866 59.2491 33.6255 174.4286 14 Y 4.1879 8.1872 118.9519 56.8309 38.0238 174.9607 15 E 4.1797 8.4777 127.3186 55.3522 28.1051 174.3091 16 C 4.8135 7.9685 118.0270 53.3546 44.0876 174.2925 17 F 4.9616 8.5937 117.9019 57.3282 39.8566 176.0611 18 R 4.5720 7.3781 121.1995 53.3517 30.7868 175.4904 19 D 4.4574 8.4344 122.1796 57.1643 41.6068 177.9043 20 S 4.0688 8.1947 113.1545 61.7664 62.4206 175.0661 21 Y 4.0969 8.3757 122.4817 61.0718 38.2575 177.6359 22 C 4.0549 8.1408 118.4528 59.8560 43.7658 174.7006 23 N 4.3722 8.0017 118.9493 55.7623 38.5299 175.4009 24 D 4.4485 7.7515 118.6626 56.2943 41.6755 177.5381 25 L 3.5406 7.7879 120.9620 58.5798 41.8553 178.4182 26 C 4.2646 8.2289 116.1447 60.2241 35.7499 176.3036 27 T 4.1892 7.7098 112.1658 64.2872 68.1313 175.9215 28 K 3.9164 8.0962 121.8923 59.0339 32.1102 177.3837 29 N 4.5771 7.3313 114.0663 53.4310 39.0240 175.0906 30 G 4.0379 8.0053 108.8104 45.4619 0.0000 173.8305 31 A 4.7727 8.2334 122.1622 51.2095 19.2055 179.1642 32 S 4.3764 9.1846 114.4946 60.5595 63.4875 173.4846 33 S 4.7008 8.1988 112.8168 57.2599 66.8712 172.9447 34 G 4.4151 8.3782 107.5343 45.5135 0.0000 171.9159 35 Y 5.4110 8.6039 123.6332 55.4178 42.0868 173.5575 36 C 4.8629 9.3585 119.5425 56.4466 38.6017 172.9308 37 Q 4.6357 9.0170 124.8663 53.9597 32.4674 174.0386 38 W 5.9347 8.7211 116.8439 54.6687 30.4809 172.9708 39 A 4.6673 9.5036 120.9806 50.5795 22.0223 178.4382 40 G 4.9087 8.5032 111.0867 46.8887 0.0000 174.4558 41 K 3.7621 7.3262 121.3698 58.6508 32.1255 176.4693 42 Y 4.9510 7.3611 111.6031 57.3724 40.2426 176.4279 43 G 4.1148 8.3754 110.1918 46.1882 0.0000 174.5823 44 N 5.2059 8.3942 122.4845 52.2205 40.7977 172.8678 45 A 4.3339 8.1744 122.8506 52.4670 23.6549 173.7655 46 C 4.8060 8.1413 118.4021 54.9256 42.0148 172.3570 47 W 4.9310 8.9812 135.0000 56.1567 31.4426 174.0775 48 C 4.7963 8.4194 125.7626 56.2616 39.3241 172.1990 49 Y 5.4163 8.9024 123.7068 55.3811 40.7999 175.5854 50 A 3.6902 8.5167 130.3960 52.6550 17.0881 176.7599 51 L 4.1179 8.3196 122.6035 55.4348 42.7951 174.6720 52 P 4.3100 0.0000 0.0000 62.1161 32.4546 175.3219 53 D 4.5496 8.4497 117.2102 56.0867 41.2685 178.1529 54 N 4.6028 8.1081 113.9917 53.2018 37.3474 175.2386 55 V 4.0088 6.9360 118.7339 59.9839 31.2277 172.2118 56 P 4.1140 0.0000 0.0000 62.6454 30.7557 176.7469 57 I 4.1713 7.9332 117.8468 59.7966 39.1301 174.9282 58 R 4.9086 8.4126 115.7264 53.8600 31.6406 176.6569 59 V 3.4071 7.6188 114.1657 59.2888 32.8316 174.2895 60 P 4.4464 0.0000 0.0000 65.1996 32.1432 176.6295 61 G 4.4772 7.5467 114.3645 45.1178 0.0000 172.7862 62 K 4.6998 7.3667 119.9561 54.0495 35.3651 176.1340 63 C 4.7997 8.9449 124.1471 56.3868 44.5210 173.0184 64 H 4.3299 8.1289 117.5969 56.2548 28.0946 173.6432 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 V 8.04 4.23 2.07 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 0.85 0.00 0.00 0.86 0.00 0.00 2 R 8.82 4.31 0.00 1.68 1.91 0.00 2.78 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.67 0.00 3 D 8.58 5.37 0.00 2.75 3.19 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 0.00 0.00 0.00 0.00 4 A 6.50 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.70 4.80 0.00 2.91 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 6 I 8.59 3.96 1.78 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 1.23 1.35 1.01 0.00 0.00 7 A 8.30 5.57 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 8 K 7.89 4.43 0.00 1.58 1.53 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.86 0.69 7.81 9 N 7.84 4.61 0.00 2.54 2.64 0.00 0.00 5.86 7.07 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 10 Y 7.35 4.82 0.00 3.09 2.75 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 11 N 7.91 4.45 0.00 2.97 2.75 0.00 0.00 6.69 7.61 0.00 0.00 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 C 7.59 5.15 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.82 5.18 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 1.13 0.00 0.00 0.87 0.00 0.00 14 Y 8.19 4.19 0.00 3.06 2.96 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 15 E 8.48 4.18 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 16 C 7.97 4.81 0.00 3.11 3.09 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 17 F 8.59 4.96 0.00 3.07 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 R 7.38 4.57 0.00 1.93 1.91 0.00 3.15 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 19 D 8.43 4.46 0.00 2.79 2.69 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 0.00 0.00 0.00 0.00 20 S 8.19 4.07 0.00 3.96 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 21 Y 8.38 4.10 0.00 3.03 3.07 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 0.00 0.00 0.00 0.00 22 C 8.14 4.05 0.00 3.07 3.25 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 23 N 8.00 4.37 0.00 2.79 3.00 0.00 0.00 7.03 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 24 D 7.75 4.45 0.00 2.77 2.37 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 25 L 7.79 3.54 0.00 1.08 1.53 0.26 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.23 4.26 0.00 3.03 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 27 T 7.71 4.19 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 1.25 0.00 0.00 28 K 8.10 3.92 0.00 1.78 1.98 0.00 1.71 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.51 7.81 29 N 7.33 4.58 0.00 2.71 2.75 0.00 0.00 7.31 7.82 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 30 G 8.01 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 0.00 0.00 0.00 31 A 8.23 4.77 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 32 S 9.18 4.38 0.00 4.01 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 0.00 33 S 8.20 4.70 0.00 3.43 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 0.00 0.00 0.00 0.00 35 Y 8.60 5.41 0.00 3.34 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 36 C 9.36 4.86 0.00 2.63 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 37 Q 9.02 4.64 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.05 2.53 0.00 38 W 8.72 5.93 0.00 3.39 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.50 4.67 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 40 G 8.50 4.91 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 41 K 7.33 3.76 0.00 1.23 0.74 0.00 1.45 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.90 1.09 7.81 42 Y 7.36 4.95 0.00 3.36 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 43 G 8.38 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 0.00 0.00 0.00 44 N 8.39 5.21 0.00 2.89 2.68 0.00 0.00 6.37 7.89 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 45 A 8.17 4.33 -0.14 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 0.00 0.00 46 C 8.14 4.81 0.00 3.01 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 47 W 8.98 4.93 0.00 3.34 2.07 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 0.00 0.00 0.00 0.00 48 C 8.42 4.80 0.00 2.75 2.87 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 49 Y 8.90 5.42 0.00 3.25 2.99 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 50 A 8.52 3.69 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 51 L 8.32 4.12 0.00 1.48 1.42 0.85 1.06 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 52 P 0.00 4.31 0.00 2.20 2.00 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 53 D 8.45 4.55 0.00 2.67 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 54 N 8.11 4.60 0.00 2.80 2.89 0.00 0.00 5.76 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 6.94 4.01 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 0.75 0.00 0.00 0.92 0.00 0.00 56 P 0.00 4.11 0.00 2.16 2.06 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 57 I 7.93 4.17 1.95 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 1.34 0.69 0.83 0.00 0.00 58 R 8.41 4.91 0.00 1.72 1.85 0.00 3.22 0.00 0.00 2.67 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 59 V 7.62 3.41 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 0.69 0.00 0.00 0.85 0.00 0.00 60 P 0.00 4.45 0.00 2.25 2.18 0.00 3.10 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 61 G 7.55 4.48 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 0.00 62 K 7.37 4.70 0.00 1.72 1.70 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 63 C 8.94 4.80 0.00 3.07 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 64 H 8.13 4.33 0.00 3.18 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00