NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1514 8.2649 123.5816 52.8077 19.7978 176.8112 2 K 3.6091 8.7111 124.5837 56.1370 31.6368 173.1194 3 T 4.2696 8.8252 115.1650 64.2397 72.1988 171.0161 4 I 3.4123 7.6704 129.7348 60.6367 37.4854 172.7467 5 K 4.7732 8.1065 124.0667 55.1314 34.6850 175.5898 6 I 4.8114 8.3815 122.7555 60.4025 40.8878 174.7311 7 T 4.7689 7.8928 118.8118 63.1695 73.1470 174.8283 8 Q 4.0952 9.1957 124.8384 57.9126 29.6425 178.9958 9 T 3.7095 8.0709 103.6874 62.5451 69.0891 171.7872 10 R 4.4657 8.2887 120.0426 53.8559 32.6726 175.0171 11 S 4.0460 8.8642 117.6382 59.0503 63.4135 174.9347 12 A 4.5402 8.2904 128.8612 51.8068 19.0796 177.3422 13 I 3.6983 7.7140 124.0681 63.7795 36.8434 178.5929 14 G 3.8884 8.8140 110.7609 47.1887 0.0000 173.9486 15 R 4.3651 7.9161 119.1874 54.8703 31.1484 176.5675 16 L 4.1565 8.2613 119.4951 54.4669 42.3484 177.0137 17 P 4.3561 0.0000 0.0000 64.6792 31.4937 178.0708 18 K 4.2404 7.8821 117.7262 57.8839 32.8674 177.5362 19 H 4.7027 8.0672 115.4603 58.4559 29.3895 176.9314 20 K 3.8929 8.3006 120.5967 59.7554 31.8413 178.5057 21 A 4.0125 7.8604 120.2516 55.5570 17.8162 179.4431 22 T 4.0145 7.7910 105.9101 63.4730 68.7890 175.3750 23 L 4.4453 7.6989 121.6876 56.3081 42.6637 177.8779 24 L 4.3807 8.1083 117.0768 55.9477 41.6091 178.1386 25 G 4.0519 7.8925 103.9661 44.3991 0.0000 174.1930 26 L 4.6482 7.1614 115.9853 52.7494 43.9011 175.9621 27 G 3.8538 7.8164 108.4542 44.7819 0.0000 172.2792 28 L 4.2036 7.5153 117.7459 55.6689 42.0889 175.2325 29 R 4.1844 7.8966 124.3644 57.5334 31.3268 180.3720 30 R 4.2027 7.4932 121.1213 56.3006 31.2845 177.4889 31 I 3.8696 7.9889 110.0109 60.2784 35.8184 172.0202 32 G 3.6554 8.1680 117.2453 46.2170 0.0000 171.3585 33 H 4.3888 8.6302 124.6328 56.3057 30.6794 174.8614 34 T 4.0796 7.3609 112.5272 64.3952 65.8496 172.4117 35 V 3.8298 7.1672 121.3868 60.8621 33.0975 175.2362 36 E 4.3776 8.6545 125.8287 56.8049 30.0552 174.0519 37 R 4.1308 8.4420 127.8810 56.7734 30.2824 176.9657 38 E 4.5374 8.8773 118.5017 55.0518 33.1155 173.1473 39 D 4.8710 8.6263 114.5628 53.0841 41.1951 175.6339 40 T 4.4924 7.3382 118.0414 61.5420 70.4515 174.7642 41 P 4.2900 0.0000 0.0000 64.1344 31.6723 177.5063 42 A 4.1694 7.8158 122.6708 54.9806 18.5875 179.7689 43 I 3.9031 7.6140 107.7085 62.5440 38.1424 176.9680 44 R 4.3382 8.3295 120.8517 56.4532 30.2701 177.1265 45 G 3.8744 7.9595 104.0359 47.3989 0.0000 175.9877 46 M 4.1184 7.9091 120.4637 58.0240 31.8922 177.9761 47 I 3.6132 7.0618 119.3901 64.6923 37.4036 177.3800 48 N 4.3603 8.2082 116.5481 56.8070 36.8588 175.8622 49 A 3.9823 7.2237 119.1459 54.3036 19.1296 179.1414 50 V 3.7055 7.6564 111.4567 60.5083 31.5145 177.9032 51 S 4.1573 7.6622 116.2694 61.4155 63.6146 176.3977 52 F 4.5187 7.8791 111.4038 57.4929 37.3574 175.3726 53 M 4.8833 7.6959 119.8268 53.5262 30.8304 175.2584 54 V 5.2455 7.5897 111.3252 61.7269 35.9539 174.3694 55 K 4.5069 8.7501 127.0377 54.6962 34.4113 174.7024 56 V 4.7222 8.3446 126.8574 61.1589 33.4823 173.9274 57 E 4.4857 8.5254 129.7006 54.5757 31.2954 175.5671 58 E 4.1613 8.7084 126.6222 56.4045 29.7832 175.5560 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 4.15 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 2 K 8.71 3.61 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.52 7.81 3 T 8.83 4.27 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 1.29 0.00 0.00 4 I 7.67 3.41 1.86 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 1.41 0.99 0.90 0.00 0.00 5 K 8.11 4.77 0.00 1.63 1.68 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 6 I 8.38 4.81 1.85 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 1.35 1.11 0.87 0.00 0.00 7 T 7.89 4.77 4.22 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 1.20 0.00 0.00 8 Q 9.20 4.10 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.06 0.00 0.00 0.00 0.00 0.00 2.54 2.25 0.00 9 T 8.07 3.71 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 1.21 0.00 0.00 10 R 8.29 4.47 0.00 1.73 1.93 0.00 3.70 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 1.60 1.58 0.00 11 S 8.86 4.05 0.00 3.98 3.92 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 12 A 8.29 4.54 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 13 I 7.71 3.70 1.89 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 1.36 0.69 0.92 0.00 0.00 14 G 8.81 3.89 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 0.00 0.00 0.00 15 R 7.92 4.37 0.00 1.88 2.01 0.00 3.31 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 16 L 8.26 4.16 0.00 1.53 1.53 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.36 0.00 2.17 2.10 0.00 3.57 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 2.11 2.07 0.00 18 K 7.88 4.24 0.00 1.70 1.79 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 19 H 8.07 4.70 0.00 3.41 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.30 3.89 0.00 1.93 1.92 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.74 7.81 21 A 7.86 4.01 1.41 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 0.00 0.00 22 T 7.79 4.01 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 1.28 0.00 0.00 23 L 7.70 4.45 0.00 1.86 1.71 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.11 4.38 0.00 1.80 1.72 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.89 4.05 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 0.00 0.00 0.00 26 L 7.16 4.65 0.00 1.63 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.82 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 0.00 0.00 0.00 28 L 7.52 4.20 0.00 1.72 1.64 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.90 4.18 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.21 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 30 R 7.49 4.20 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 I 7.99 3.87 1.87 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 1.35 0.53 0.92 0.00 0.00 32 G 8.17 3.66 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 0.00 0.00 0.00 33 H 8.63 4.39 0.00 3.07 3.34 0.00 6.08 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.36 4.08 4.16 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 1.22 0.00 0.00 35 V 7.17 3.83 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 0.91 0.00 0.00 0.97 0.00 0.00 36 E 8.65 4.38 0.00 1.98 1.89 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 2.24 2.28 0.00 37 R 8.44 4.13 0.00 1.92 1.56 0.00 3.38 0.00 0.00 3.14 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 38 E 8.88 4.54 0.00 1.97 1.79 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 2.19 2.24 0.00 39 D 8.63 4.87 0.00 2.56 2.64 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 0.00 0.00 0.00 0.00 40 T 7.34 4.49 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 1.23 0.00 0.00 41 P 0.00 4.29 0.00 2.03 2.10 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 42 A 7.82 4.17 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 43 I 7.61 3.90 1.86 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 1.29 0.72 0.90 0.00 0.00 44 R 8.33 4.34 0.00 1.74 2.08 0.00 3.24 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 45 G 7.96 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 46 M 7.91 4.12 0.00 2.05 2.10 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 2.86 2.62 0.00 47 I 7.06 3.61 2.01 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 1.82 0.71 0.88 0.00 0.00 48 N 8.21 4.36 0.00 2.87 2.98 0.00 0.00 5.96 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 49 A 7.22 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 50 V 7.66 3.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.84 0.00 0.00 51 S 7.66 4.16 0.00 4.00 4.35 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 52 F 7.88 4.52 0.00 3.19 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 53 M 7.70 4.88 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.43 0.00 54 V 7.59 5.25 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 0.71 0.00 0.00 0.96 0.00 0.00 55 K 8.75 4.51 0.00 1.78 1.63 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.35 7.81 56 V 8.34 4.72 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 0.88 0.00 0.00 0.91 0.00 0.00 57 E 8.53 4.49 0.00 2.02 1.78 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 2.22 2.23 0.00 58 E 8.71 4.16 0.00 1.94 1.80 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 2.25 2.35 0.00