NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2078 8.2644 123.5819 50.5931 20.3552 176.0306 2 K 3.6438 8.1624 115.6296 57.0453 30.5835 173.1407 3 T 4.4837 8.5455 109.8260 60.9501 68.9362 173.7385 4 I 3.9747 7.8764 121.8396 64.4588 38.7564 175.0431 5 K 5.1680 8.0634 120.4691 55.1579 35.4512 175.1628 6 I 4.7854 8.0821 117.8888 60.0979 41.0358 173.3317 7 T 4.8722 8.9417 119.2015 60.4061 71.6522 172.5883 8 Q 4.0533 8.5405 122.5187 56.3699 29.4494 175.4222 9 T 4.0189 8.7915 117.8729 64.7379 67.7931 176.6197 10 R 4.7701 7.7842 126.6967 55.1856 32.2932 173.1248 11 S 4.6309 8.1508 114.4367 56.0654 65.6017 172.7016 12 A 4.6376 8.4445 128.3598 51.5473 21.9725 175.8692 13 I 3.1072 9.2597 114.8535 63.3380 33.9936 172.4542 14 G 3.8079 8.1211 113.8265 45.5859 0.0000 170.8631 15 R 4.2841 7.1210 117.3108 55.2948 32.4489 173.7473 16 L 4.0327 8.5925 116.2731 54.9602 42.4592 176.1042 17 P 4.3106 0.0000 0.0000 65.8657 31.0653 178.4822 18 K 3.9685 8.2423 116.2862 60.5247 32.1720 177.8566 19 H 4.3649 8.9056 115.9019 57.5588 28.4899 177.5182 20 K 3.5893 7.7209 122.7443 59.3751 31.9144 178.5690 21 A 4.0587 7.9045 120.6910 54.8677 18.1983 179.6831 22 T 3.8265 7.7884 107.7273 64.9255 69.4078 176.7950 23 L 3.8990 7.3536 118.4860 56.8014 40.3087 177.1295 24 L 4.4495 7.9254 118.1500 56.5365 43.5002 178.5275 25 G 3.8817 8.0471 106.6080 47.8125 0.0000 173.6734 26 L 4.5950 7.6135 116.1553 53.3968 43.8125 177.5882 27 G 3.8827 7.7658 105.5769 45.6546 0.0000 175.1808 28 L 4.8174 7.7315 119.3695 52.9588 39.3596 176.5735 29 R 3.9838 7.7981 122.0694 56.5083 32.7236 181.0912 30 R 3.5120 8.6997 118.4799 57.2030 30.3102 177.0201 31 I 4.6597 8.4290 108.0494 58.7405 39.4411 175.7401 32 G 4.6598 7.0906 115.4828 46.4739 0.0000 174.0859 33 H 4.4994 7.5158 120.7647 54.4003 29.5909 173.9730 34 T 4.2412 8.1655 121.5809 62.0215 67.8978 173.1904 35 V 4.5256 8.3320 126.8383 60.9051 34.0531 174.4818 36 E 4.5579 8.7968 125.9585 56.3186 30.9041 175.5910 37 R 4.7663 8.6114 119.8999 54.5344 35.2324 174.4758 38 E 4.1184 8.6403 118.9360 56.0720 30.7532 177.9064 39 D 4.3047 8.5016 118.1686 55.0775 40.3973 175.5307 40 T 3.8734 7.8078 115.8219 62.9306 68.4599 173.0849 41 P 4.2743 0.0000 0.0000 65.2118 31.7045 178.4068 42 A 4.0457 8.1064 121.0242 54.6993 18.4860 178.2639 43 I 3.8443 7.7561 115.2651 63.6508 38.6024 178.5319 44 R 3.9311 8.2064 118.6249 59.2476 29.1016 178.4543 45 G 3.6920 8.2168 106.7383 47.7387 0.0000 175.3015 46 M 4.1102 7.8913 119.6284 57.5984 32.1557 178.7995 47 I 3.9199 7.6368 119.9565 64.2667 37.7382 177.4079 48 N 4.2651 8.3948 117.8482 56.7856 38.5151 176.3427 49 A 4.1468 7.9286 121.1484 54.8404 18.6134 178.4215 50 V 4.1607 7.4460 106.2560 61.3825 33.4714 181.1273 51 S 3.2039 7.6263 111.4137 59.4782 66.8575 174.4678 52 F 3.9952 8.0071 128.7275 60.0881 39.9575 176.0282 53 M 4.2174 8.3650 118.8865 55.9407 32.1004 175.1898 54 V 4.8038 7.8910 117.4030 60.7076 32.3258 175.0044 55 K 4.3433 8.1997 126.9000 55.8569 34.0976 177.7022 56 V 3.8668 8.0635 118.0656 61.2389 32.8386 176.9939 57 E 3.8114 8.3043 116.4343 56.0215 27.1608 173.7368 58 E 4.0765 8.0303 124.5146 56.5208 29.6092 176.2615 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 4.21 1.35 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 2 K 8.16 3.64 0.00 1.89 1.82 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.54 7.81 3 T 8.55 4.48 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 1.25 0.00 0.00 4 I 7.88 3.97 2.00 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 1.54 0.90 0.00 0.00 5 K 8.06 5.17 0.00 1.74 1.58 0.00 1.63 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81 6 I 8.08 4.79 1.86 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 1.22 0.48 0.90 0.00 0.00 7 T 8.94 4.87 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 1.18 0.00 0.00 8 Q 8.54 4.05 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 9 T 8.79 4.02 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 1.22 0.00 0.00 10 R 7.78 4.77 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 11 S 8.15 4.63 0.00 3.82 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 12 A 8.44 4.64 1.22 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 0.00 0.00 13 I 9.26 3.11 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 0.49 0.91 0.00 0.00 14 G 8.12 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.12 4.28 0.00 1.57 1.61 0.00 3.26 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 16 L 8.59 4.03 0.00 1.73 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.31 0.00 2.17 2.17 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 18 K 8.24 3.97 0.00 1.92 2.01 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.58 7.81 19 H 8.91 4.36 0.00 3.36 3.75 0.00 5.26 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.72 3.59 0.00 1.85 1.76 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.39 7.81 21 A 7.90 4.06 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 22 T 7.79 3.83 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 23 L 7.35 3.90 0.00 1.85 1.77 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.93 4.45 0.00 1.65 1.65 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.05 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 0.00 0.00 0.00 0.00 26 L 7.61 4.59 0.00 1.69 1.65 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.77 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 0.00 0.00 0.00 0.00 28 L 7.73 4.82 0.00 1.79 1.69 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.80 3.98 0.00 1.78 1.70 0.00 3.32 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 30 R 8.70 3.51 0.00 2.03 1.47 0.00 3.05 0.00 0.00 3.28 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 31 I 8.43 4.66 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 1.30 1.16 0.92 0.00 0.00 32 G 7.09 4.66 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 7.52 4.50 0.00 3.20 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.17 4.24 4.20 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 1.15 0.00 0.00 35 V 8.33 4.53 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 0.95 0.00 0.00 1.03 0.00 0.00 36 E 8.80 4.56 0.00 2.00 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 2.33 0.00 37 R 8.61 4.77 0.00 1.64 1.83 0.00 3.33 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 38 E 8.64 4.12 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 2.40 2.31 0.00 39 D 8.50 4.30 0.00 2.63 2.65 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 0.00 0.00 0.00 0.00 40 T 7.81 3.87 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 41 P 0.00 4.27 0.00 2.21 2.30 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 42 A 8.11 4.05 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 43 I 7.76 3.84 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 1.32 0.95 0.00 0.00 44 R 8.21 3.93 0.00 2.10 2.25 0.00 2.84 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 45 G 8.22 3.69 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 0.00 0.00 0.00 46 M 7.89 4.11 0.00 2.01 2.20 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 2.76 2.58 0.00 47 I 7.64 3.92 1.95 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 1.52 1.20 0.91 0.00 0.00 48 N 8.39 4.27 0.00 2.95 2.98 0.00 0.00 7.13 8.63 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 49 A 7.93 4.15 1.42 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 50 V 7.45 4.16 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 0.79 0.00 0.00 0.95 0.00 0.00 51 S 7.63 3.20 0.00 4.13 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 0.00 52 F 8.01 4.00 0.00 3.04 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 53 M 8.36 4.22 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 54 V 7.89 4.80 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 1.17 0.00 0.00 0.94 0.00 0.00 55 K 8.20 4.34 0.00 1.87 1.76 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.36 7.81 56 V 8.06 3.87 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 0.74 0.00 0.00 0.94 0.00 0.00 57 E 8.30 3.81 0.00 2.13 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 0.00 2.15 2.20 0.00 58 E 8.03 4.08 0.00 1.90 1.82 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 2.28 2.30 0.00