NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4823 8.3044 120.3235 55.4343 32.0286 173.8608 2 D 4.6253 8.2117 122.6986 54.3811 44.0309 177.2079 3 F 4.5670 9.0649 118.8347 60.6011 39.7433 176.0396 4 N 4.3134 7.8014 116.7987 56.2855 38.1467 175.2924 5 P 4.2994 0.0000 0.0000 65.6482 31.6743 178.8504 6 S 4.2476 7.9569 113.5828 61.6958 63.1523 176.1653 7 E 3.6925 8.0039 120.7819 59.4834 28.8378 179.6988 8 V 3.6084 7.7923 117.5122 65.4720 31.0576 177.6601 9 A 3.7300 8.6012 121.4248 55.3490 17.9215 179.7084 10 S 4.1602 7.8676 113.0835 61.7307 62.5087 176.8541 11 Q 3.8716 9.0514 122.0550 58.4594 28.3729 178.7802 12 V 3.3273 7.4568 118.8268 66.2575 31.9340 177.8986 13 T 3.8860 7.4286 114.2853 67.0230 68.0705 176.2425 14 N 4.5936 7.8746 116.9355 56.2355 39.2168 176.8960 15 Y 4.3303 7.6545 118.3367 60.9025 37.8928 178.2101 16 I 3.7300 8.0265 121.0091 63.8877 36.9701 178.1714 17 Q 3.9602 7.5349 117.0023 59.2018 28.8795 178.7300 18 A 4.1660 7.9134 120.9176 54.8773 18.5535 179.3443 19 I 3.5982 7.2030 116.6574 64.7630 37.0519 178.3297 20 A 3.9476 8.3573 119.9205 55.2980 18.1359 179.2754 21 A 4.1012 8.2651 118.9660 54.6006 17.8779 179.4705 22 A 4.0714 8.5650 120.4986 55.4799 18.1948 180.1602 23 G 3.3555 7.8530 101.8427 48.0462 0.0000 175.7660 24 V 3.8942 7.7310 121.0755 65.1216 31.4419 178.2897 25 G 3.6215 9.3075 104.7740 47.8215 0.0000 175.7616 26 V 3.7936 7.3174 121.1281 65.2667 31.1047 177.9038 27 L 3.9419 8.0660 118.1034 57.7240 41.3906 178.9513 28 A 4.1799 7.6816 119.4942 55.0020 17.8818 179.6972 29 L 3.9135 8.0479 117.0570 58.1665 41.8275 179.2602 30 A 4.2132 7.9220 120.0046 54.8029 18.0928 179.6814 31 I 3.9124 8.5484 120.6871 63.9222 37.2524 178.6487 32 G 3.8285 8.1802 106.5095 47.9651 0.0000 175.3877 33 L 3.7806 7.6259 120.9433 57.9995 41.1563 179.8109 34 S 4.8038 9.3805 115.7951 61.1723 62.6055 176.5818 35 A 4.0517 7.9394 122.9939 55.1474 18.0657 179.4498 36 A 4.4556 8.9198 120.0812 55.0398 18.4073 179.6512 37 W 3.7663 9.7944 127.5936 60.1153 30.8473 178.1908 38 K 3.7863 8.4153 119.1257 59.9057 31.6801 178.8313 39 Y 3.7823 7.3024 115.9081 60.5588 37.4598 178.5410 40 A 4.0820 7.5772 121.3061 55.3829 18.7004 179.6245 41 K 3.8794 7.4117 115.9632 59.1724 31.9391 179.7527 42 R 3.6954 7.3059 118.2034 58.8763 29.6318 178.9532 43 F 4.0221 6.5197 115.6247 60.1541 38.8932 176.9292 44 L 4.1837 7.6515 117.7337 57.6265 41.7596 178.5243 45 K 4.0633 7.8839 117.0216 58.7120 32.3322 177.3766 46 G 3.7386 8.9081 113.0224 45.7493 0.0000 173.0887 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 M 8.30 4.48 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 2 D 8.21 4.63 0.00 2.72 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 3 F 9.06 4.57 0.00 2.91 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 4 N 7.80 4.31 0.00 2.99 2.86 0.00 0.00 6.86 7.93 0.00 0.00 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 P 0.00 4.30 0.00 2.03 2.13 0.00 4.03 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 6 S 7.96 4.25 0.00 3.93 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.00 3.69 0.00 2.16 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 2.28 2.58 0.00 8 V 7.79 3.61 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 9 A 8.60 3.73 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 10 S 7.87 4.16 0.00 4.04 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 11 Q 9.05 3.87 0.00 1.87 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 12 V 7.46 3.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.84 0.00 0.00 13 T 7.43 3.89 4.33 0.00 0.00 0.00 0.00 0.00 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 14 N 7.87 4.59 0.00 2.73 2.97 0.00 0.00 7.14 8.59 0.00 0.00 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 Y 7.65 4.33 0.00 3.08 2.94 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 0.00 0.00 0.00 0.00 16 I 8.03 3.73 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.84 0.93 0.00 0.00 17 Q 7.53 3.96 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 18 A 7.91 4.17 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 19 I 7.20 3.60 2.07 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 1.45 0.87 0.93 0.00 0.00 20 A 8.36 3.95 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.27 4.10 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 22 A 8.56 4.07 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 23 G 7.85 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.89 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 1.13 0.00 0.00 0.93 0.00 0.00 25 G 9.31 3.62 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 0.00 0.00 0.00 26 V 7.32 3.79 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 1.07 0.00 0.00 0.93 0.00 0.00 27 L 8.07 3.94 0.00 2.04 1.72 0.99 0.88 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 28 A 7.68 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 3.91 0.00 1.67 1.76 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.92 4.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 3.91 1.92 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 1.40 1.56 0.92 0.00 0.00 32 G 8.18 3.83 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 0.00 0.00 0.00 33 L 7.63 3.78 0.00 1.94 1.90 1.03 0.92 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 34 S 9.38 4.80 0.00 3.81 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 35 A 7.94 4.05 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 4.46 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.79 3.77 0.00 3.76 3.37 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 38 K 8.42 3.79 0.00 1.39 1.31 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.59 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.40 1.40 7.81 39 Y 7.30 3.78 0.00 3.18 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 40 A 7.58 4.08 0.78 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 0.00 0.00 41 K 7.41 3.88 0.00 1.54 1.68 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.13 0.68 7.81 42 R 7.31 3.70 0.00 0.98 1.52 0.00 2.93 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 43 F 6.52 4.02 0.00 3.20 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 44 L 7.65 4.18 0.00 1.78 1.68 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.88 4.06 0.00 1.59 1.77 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.49 7.81 46 G 8.91 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00