NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4291 8.3344 116.7958 58.6062 64.5666 173.3922 7 L 4.1703 8.0908 121.8596 56.2303 42.3396 176.5181 8 Q 3.8845 8.7365 120.5114 59.2806 29.3992 177.6396 9 D 4.3149 7.9784 119.0901 57.0102 41.0051 176.6608 10 P 4.2819 0.0000 0.0000 65.8104 31.3688 177.6660 11 Y 3.9958 7.9502 118.0807 61.0789 38.6030 178.4663 12 L 3.8047 8.1978 119.8127 57.6405 41.6293 179.1493 13 N 4.5772 8.6755 117.4994 56.7127 38.7713 177.1540 14 T 3.7781 8.2067 117.7211 66.6990 68.5175 176.3941 15 L 3.8371 7.6277 120.7486 58.0924 41.5497 179.3739 16 R 4.1382 8.1973 120.2226 58.3389 29.8619 178.2858 17 K 3.8191 8.4644 118.7699 59.8960 32.2300 177.9543 18 E 4.2539 8.3486 114.4116 55.8231 29.4992 176.6814 19 R 3.7565 8.0189 117.4185 57.0119 28.2930 176.6404 20 V 3.8305 7.8951 117.5932 61.8731 32.4164 174.0945 21 P 4.5518 0.0000 0.0000 63.1865 32.2900 175.7713 22 V 4.9436 9.0633 117.4003 59.6341 36.4325 174.6318 23 S 5.0438 9.0932 118.9771 57.0485 65.3380 173.3084 24 I 4.8365 8.8412 126.8659 59.9877 38.9450 174.3662 25 Y 4.8735 8.9587 126.1316 56.7762 39.5154 175.9911 26 L 4.9090 9.6533 125.8808 53.9124 43.2876 178.3602 27 V 3.8958 9.2522 120.2549 63.2213 31.2913 176.4712 28 N 4.8609 8.3640 116.7957 52.6376 37.6011 174.7457 29 G 4.1211 8.2549 108.7487 45.6631 0.0000 174.7416 30 I 3.8964 7.9773 120.7609 61.3521 38.2337 175.0333 31 K 4.5865 8.4911 126.7297 54.5246 34.2441 175.0619 32 L 4.8350 8.7048 126.5809 52.8892 45.0564 175.1918 33 Q 4.8737 9.6932 122.9296 53.5811 32.1222 176.2166 34 G 3.9001 6.8696 110.0831 46.0420 0.0000 170.3999 35 Q 4.8809 7.7581 118.7932 53.7102 32.0801 175.2905 36 I 4.1082 8.3724 123.5621 62.0987 37.2712 176.1929 37 E 4.0508 9.2426 130.1853 58.9976 30.0958 176.1849 38 S 4.7493 7.8191 111.6162 58.1166 65.9724 173.4521 39 F 4.9008 7.7682 115.5429 56.0461 40.0996 173.4549 40 D 4.9491 8.4636 121.8614 52.2444 41.2499 175.2440 41 Q 3.8971 8.7527 117.8681 58.7504 29.3219 177.7760 42 F 5.0764 9.0754 115.2414 57.2779 42.4053 175.3833 43 V 4.9911 8.1341 110.0287 59.4570 36.4118 174.4987 44 I 5.0748 8.7307 121.8867 59.6023 41.3086 174.4745 45 L 4.7398 9.6992 129.7685 53.8961 43.6668 174.8291 46 L 5.0636 9.0176 130.0770 53.2563 43.9958 174.9671 47 K 4.6138 9.0029 127.8092 56.0491 33.8162 174.9804 48 N 5.0873 8.4069 125.4829 52.6847 40.7327 174.7859 49 T 3.6694 8.2108 111.8712 65.8292 68.8891 174.4314 50 V 4.3699 7.3876 120.9475 60.8176 34.3183 173.8650 51 S 4.9680 8.6061 122.0148 57.7672 63.5327 172.9640 52 Q 4.6474 8.7650 123.2235 55.0792 32.2920 172.8555 53 M 4.7587 8.6136 121.6633 54.5907 33.5009 175.0021 54 V 4.4580 8.8825 126.6870 61.0989 34.4134 174.3937 55 Y 4.4560 8.6833 125.7875 57.4967 38.5608 176.5941 56 K 3.9276 9.3409 125.5070 59.5885 32.4138 179.1541 57 A 4.0047 8.3158 119.9279 54.5816 18.5027 177.6189 58 A 4.5463 8.1695 117.5420 52.0886 19.3245 176.3171 59 I 4.5938 7.8173 118.9968 60.5188 38.5242 175.8378 60 S 4.5106 9.1011 121.2202 60.7790 63.7655 174.3333 61 T 4.6868 7.7562 114.3888 59.9663 70.9352 171.7028 62 V 4.7935 8.4039 126.6749 61.1821 33.7233 174.8798 63 V 4.4367 9.0021 128.2067 60.3355 33.6529 172.9415 64 P 4.7276 0.0000 0.0000 62.4691 31.4462 177.0660 65 S 4.4424 9.0948 119.0995 60.7563 63.3703 174.3324 66 R 4.7430 7.6618 113.8187 52.7618 32.5003 172.9107 67 P 4.4587 0.0000 0.0000 62.8742 31.8475 176.4611 68 V 4.5969 7.9699 113.1321 59.5947 35.6363 175.1505 69 R 4.6807 8.2324 117.0049 54.3472 32.2108 174.4492 70 L 4.6348 8.2824 120.2093 52.3987 43.4612 174.8692 71 P 4.4279 0.0000 0.0000 62.8847 31.2315 176.2315 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 6 S 8.33 4.43 0.00 4.08 3.96 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 7 L 8.09 4.17 0.00 1.75 1.59 0.85 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.74 3.88 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 9 D 7.98 4.31 0.00 2.78 2.82 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 10 P 0.00 4.28 0.00 2.20 2.14 0.00 3.73 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 2.25 2.18 0.00 11 Y 7.95 4.00 0.00 3.18 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 12 L 8.20 3.80 0.00 0.74 0.72 0.35 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.68 4.58 0.00 3.17 2.90 0.00 0.00 7.19 7.22 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 14 T 8.21 3.78 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 1.12 0.00 0.00 15 L 7.63 3.84 0.00 1.73 1.62 0.66 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.20 4.14 0.00 2.13 2.17 0.00 3.29 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 17 K 8.46 3.82 0.00 1.94 1.90 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.54 7.81 18 E 8.35 4.25 0.00 1.91 1.95 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 2.31 2.49 0.00 19 R 8.02 3.76 0.00 1.88 1.98 0.00 3.15 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 20 V 7.90 3.83 2.01 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 0.69 0.00 0.00 0.92 0.00 0.00 21 P 0.00 4.55 0.00 2.11 1.97 0.00 3.57 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.06 4.94 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 0.89 0.00 0.00 0.93 0.00 0.00 23 S 9.09 5.04 0.00 3.85 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.84 4.84 1.85 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 1.26 0.61 0.95 0.00 0.00 25 Y 8.96 4.87 0.00 2.95 2.91 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 26 L 9.65 4.91 0.00 1.71 1.63 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.25 3.90 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 0.72 0.00 0.00 0.95 0.00 0.00 28 N 8.36 4.86 0.00 2.81 2.92 0.00 0.00 6.39 7.00 0.00 0.00 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 G 8.25 4.12 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 0.00 0.00 0.00 30 I 7.98 3.90 1.96 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 1.12 1.01 0.89 0.00 0.00 31 K 8.49 4.59 0.00 1.23 1.46 0.00 1.56 0.00 0.00 1.49 0.00 0.00 2.62 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.98 0.45 7.81 32 L 8.70 4.84 0.00 1.49 1.46 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.69 4.87 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 34 G 6.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 4.88 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 36 I 8.37 4.11 1.89 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 1.24 0.98 1.03 0.00 0.00 37 E 9.24 4.05 0.00 1.98 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 0.00 2.32 2.26 0.00 38 S 7.82 4.75 0.00 3.86 3.61 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 0.00 0.00 0.00 0.00 39 F 7.77 4.90 0.00 3.26 2.95 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 40 D 8.46 4.95 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.75 3.90 0.00 1.74 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 42 F 9.08 5.08 0.00 3.00 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 43 V 8.13 4.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.00 0.00 0.92 0.00 0.00 44 I 8.73 5.07 1.90 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 1.16 0.93 1.02 0.00 0.00 45 L 9.70 4.74 0.00 1.63 1.63 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.02 5.06 0.00 1.77 1.52 0.95 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.00 4.61 0.00 1.85 2.15 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.38 7.81 48 N 8.41 5.09 0.00 2.71 2.72 0.00 0.00 6.78 7.08 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 49 T 8.21 3.67 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 50 V 7.39 4.37 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 0.96 0.00 0.00 0.93 0.00 0.00 51 S 8.61 4.97 0.00 3.92 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 52 Q 8.76 4.65 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 53 M 8.61 4.76 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 54 V 8.88 4.46 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 1.03 0.00 0.00 0.94 0.00 0.00 55 Y 8.68 4.46 0.00 3.13 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 56 K 9.34 3.93 0.00 2.00 1.94 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.53 7.81 57 A 8.32 4.00 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 58 A 8.17 4.55 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 59 I 7.82 4.59 2.02 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 1.40 0.85 1.01 0.00 0.00 60 S 9.10 4.51 0.00 3.86 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 61 T 7.76 4.69 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 1.17 0.00 0.00 62 V 8.40 4.79 2.21 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 0.97 0.00 0.00 0.98 0.00 0.00 63 V 9.00 4.44 2.28 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 1.07 0.00 0.00 1.01 0.00 0.00 64 P 0.00 4.73 0.00 2.16 1.92 0.00 3.84 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 65 S 9.09 4.44 0.00 3.85 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 66 R 7.66 4.74 0.00 1.86 1.91 0.00 3.07 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 67 P 0.00 4.46 0.00 2.06 2.03 0.00 3.62 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 2.03 2.11 0.00 68 V 7.97 4.60 1.97 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 0.73 0.00 0.00 0.79 0.00 0.00 69 R 8.23 4.68 0.00 1.84 1.84 0.00 3.06 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 70 L 8.28 4.63 0.00 1.66 1.65 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.43 0.00 2.04 1.97 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00