NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.0249 8.3249 119.3999 57.6312 40.3348 174.3801 4 R 4.3685 8.7057 122.9354 56.4964 32.4250 175.2309 5 I 3.9920 8.7043 120.9898 61.6124 38.9899 175.4053 6 R 5.2985 9.2072 125.7194 54.2218 34.3441 174.7182 7 K 4.8432 9.0580 118.9944 55.1075 36.5321 174.7312 8 C 4.8002 9.0437 124.1650 55.9263 43.9943 172.7591 9 P 4.0567 0.0000 0.0000 64.6519 31.4031 176.9311 10 K 4.2379 7.7728 119.4862 58.3843 33.1014 176.0611 11 C 4.2415 8.1454 112.4620 57.5359 41.5060 175.2864 12 G 3.6268 7.9640 106.3197 44.6183 0.0000 173.4884 13 R 4.0080 7.5097 121.0647 56.7585 31.2046 174.6849 14 Y 4.8832 8.5248 123.7480 57.5853 39.2724 174.5980 15 T 4.6651 8.9273 116.8417 61.5257 71.2461 173.8659 16 L 4.4740 8.6110 123.7231 54.9375 42.4821 177.3974 17 K 4.4000 7.9018 118.6625 55.7889 33.1130 176.8674 18 E 4.5915 8.9058 119.8406 57.3907 30.7785 176.7395 19 V 4.8051 7.5544 118.7066 59.3005 33.9803 176.2728 20 C 4.3092 9.1722 125.6954 56.5197 43.8687 172.8329 21 P 4.1006 0.0000 0.0000 64.4858 30.9181 176.6251 22 V 4.0809 7.1234 116.3936 64.6785 32.9734 177.3596 23 C 4.3126 8.0193 117.9503 59.0417 40.3236 175.6013 24 G 3.7734 8.0446 106.0716 44.9220 0.0000 173.4119 25 E 4.2631 7.7084 119.1538 55.6574 30.9840 176.4374 26 K 4.5178 8.6493 122.1549 57.3982 32.6667 176.8413 27 T 4.5197 9.1186 115.1909 60.7127 71.4240 173.6795 28 K 4.8453 8.5386 120.8547 53.9957 36.2617 175.9825 29 V 3.8765 8.6351 121.7896 63.9916 31.1395 176.1207 30 A 4.2059 8.7865 130.4992 54.8216 18.8510 177.8612 31 H 4.3946 7.7946 112.0739 54.6962 29.5142 173.6471 32 P 4.5372 0.0000 0.0000 61.5279 31.9592 174.7395 33 P 4.5227 0.0000 0.0000 62.3617 31.9071 177.0739 34 R 4.2115 8.4886 120.4012 56.3066 30.7058 175.9986 35 F 4.9106 8.6231 122.2897 56.3755 42.3515 174.2777 36 S 4.6709 7.0769 121.9266 55.8109 65.0760 173.7169 37 P 4.3711 0.0000 0.0000 65.5111 31.4455 177.8230 38 E 3.8626 8.0781 117.0523 57.7073 30.2151 176.3723 39 D 4.0077 7.4335 117.1979 54.4082 39.8536 172.4183 40 P 4.1037 0.0000 0.0000 65.3237 32.1121 178.1502 41 Y 5.1843 7.3152 113.8142 57.8189 38.2857 177.3409 42 G 4.0155 8.0816 111.8414 47.3989 0.0000 175.6735 43 E 3.8703 8.2452 120.9554 59.3498 29.5876 178.3862 44 Y 4.1772 7.9506 116.0476 60.7170 38.1932 177.6866 45 R 4.2715 8.5751 119.9914 59.6472 30.2083 178.8436 46 R 3.9973 8.3931 118.0419 59.0486 29.8000 178.8654 47 R 3.8957 7.9137 118.3000 59.3882 30.1084 178.4525 48 W 4.2550 8.4196 128.0849 60.2617 30.6065 177.8461 49 K 3.0890 8.1474 119.7288 58.8258 31.5358 178.9503 50 R 3.8105 8.3121 118.8677 59.1574 30.1304 178.4776 51 E 3.8486 7.7540 118.7230 59.4123 29.4478 178.8300 52 V 3.4917 7.1590 116.6502 65.8479 31.5773 177.1613 53 L 4.3154 7.8329 115.4841 53.7796 41.9925 176.7194 54 G 3.8693 7.6339 106.6408 46.6009 0.0000 174.0826 55 I 3.9260 7.8810 125.8153 61.1997 37.1090 176.2060 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 3 F 8.32 5.02 0.00 3.14 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 4 R 8.71 4.37 0.00 1.93 2.01 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 5 I 8.70 3.99 1.94 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 1.39 1.00 1.03 0.00 0.00 6 R 9.21 5.30 0.00 1.87 1.91 0.00 3.11 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 7 K 9.06 4.84 0.00 1.18 0.85 0.00 1.18 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.21 7.81 8 C 9.04 4.80 0.00 2.93 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 9 P 0.00 4.06 0.00 2.20 2.15 0.00 3.82 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 1.97 1.94 0.00 10 K 7.77 4.24 0.00 1.69 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.45 7.81 11 C 8.15 4.24 0.00 3.09 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 12 G 7.96 3.63 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 0.00 0.00 0.00 13 R 7.51 4.01 0.00 1.94 1.77 0.00 3.26 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 14 Y 8.52 4.88 0.00 2.91 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 15 T 8.93 4.67 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 1.28 0.00 0.00 16 L 8.61 4.47 0.00 1.70 1.72 0.95 0.95 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 17 K 7.90 4.40 0.00 1.87 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.42 7.81 18 E 8.91 4.59 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.16 0.00 19 V 7.55 4.81 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 0.71 0.00 0.00 0.93 0.00 0.00 20 C 9.17 4.31 0.00 3.08 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 21 P 0.00 4.10 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 22 V 7.12 4.08 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 0.82 0.00 0.00 0.93 0.00 0.00 23 C 8.02 4.31 0.00 3.06 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 24 G 8.04 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 0.00 0.00 0.00 25 E 7.71 4.26 0.00 1.89 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 2.39 2.28 0.00 26 K 8.65 4.52 0.00 1.64 1.77 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.40 7.81 27 T 9.12 4.52 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 1.26 0.00 0.00 28 K 8.54 4.85 0.00 1.69 1.71 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.34 7.81 29 V 8.64 3.88 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 0.87 0.00 0.00 1.01 0.00 0.00 30 A 8.79 4.21 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.79 4.39 0.00 2.84 2.95 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.54 0.00 2.07 2.00 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 33 P 0.00 4.52 0.00 2.15 2.06 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 34 R 8.49 4.21 0.00 1.87 1.94 0.00 3.30 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 35 F 8.62 4.91 0.00 2.94 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 36 S 7.08 4.67 0.00 3.66 3.68 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 37 P 0.00 4.37 0.00 2.03 2.17 0.00 3.61 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 2.03 2.17 0.00 38 E 8.08 3.86 0.00 1.80 1.91 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 2.25 2.30 0.00 39 D 7.43 4.01 0.00 2.63 2.49 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 40 P 0.00 4.10 0.00 1.10 1.84 0.00 3.21 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.84 0.00 41 Y 7.32 5.18 0.00 3.10 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 42 G 8.08 4.02 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 0.00 43 E 8.25 3.87 0.00 1.93 1.70 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 1.76 2.17 0.00 44 Y 7.95 4.18 0.00 3.23 3.05 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 45 R 8.58 4.27 0.00 2.10 2.28 0.00 3.41 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 46 R 8.39 4.00 0.00 2.17 1.98 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 47 R 7.91 3.90 0.00 2.02 2.23 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 48 W 8.42 4.25 0.00 3.46 3.40 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 49 K 8.15 3.09 0.00 1.59 1.76 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.22 1.04 7.81 50 R 8.31 3.81 0.00 1.82 1.94 0.00 3.17 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 51 E 7.75 3.85 0.00 2.03 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 2.32 2.33 0.00 52 V 7.16 3.49 1.68 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 0.70 0.00 0.00 0.59 0.00 0.00 53 L 7.83 4.32 0.00 1.55 1.61 0.81 0.71 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 54 G 7.63 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 0.00 0.00 0.00 55 I 7.88 3.93 1.83 0.00 0.00 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 1.12 0.53 0.89 0.00 0.00