NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5034 8.3049 120.3331 55.2086 33.4230 174.5515 2 K 4.4008 8.4070 120.1946 54.4759 34.2501 175.0503 3 K 4.6915 9.2380 121.5472 56.5749 34.7240 175.4226 4 Y 4.8441 9.0042 118.8518 56.4947 42.1840 174.5220 5 T 5.1098 8.8333 117.0973 60.1986 71.2707 172.4544 6 C 3.2427 8.9757 128.6243 58.6854 32.1083 174.0907 7 T 4.1712 8.5807 116.6739 62.5973 68.9647 175.4966 8 V 3.9584 7.6256 122.0308 64.7372 32.1747 176.0885 9 C 4.5561 8.1381 110.6507 57.5702 30.9346 174.5261 10 G 3.9521 8.3145 108.9519 44.7879 0.0000 173.2324 11 Y 4.2946 7.9408 121.0418 58.2515 40.0814 174.7348 12 I 4.7605 7.3072 125.2561 59.5723 39.6861 174.1995 13 Y 4.4925 9.4896 129.4186 56.5658 40.4322 173.4285 14 N 4.9230 7.9000 125.8263 50.8908 40.5778 173.3678 15 P 4.1498 0.0000 0.0000 65.4217 31.5768 178.3118 16 E 3.8570 8.0244 116.0423 58.3798 29.8672 177.1866 17 D 4.5469 7.9299 117.7583 53.3674 42.6150 178.2055 18 G 4.1094 7.9701 107.3351 45.6341 0.0000 173.9443 19 D 4.9880 8.8461 112.4917 52.3020 42.4103 174.8536 20 P 4.4057 0.0000 0.0000 66.0500 31.7677 179.1731 21 D 4.5038 8.2405 117.0981 56.3392 40.8619 176.5410 22 N 4.8939 8.3034 115.6489 52.9573 38.9065 175.3116 23 G 3.7945 8.2967 105.0431 45.7831 0.0000 174.2311 24 V 4.1284 7.5301 119.6607 60.5724 32.3361 174.9422 25 N 4.8486 8.4011 125.3103 51.7835 39.3208 173.2837 26 P 4.3726 0.0000 0.0000 64.6256 31.5972 176.7969 27 G 3.9205 9.4904 109.5311 45.6091 0.0000 173.2763 28 T 4.2714 7.3863 116.5884 62.1076 69.5071 174.4335 29 D 4.5596 8.4748 126.1205 53.7351 42.3812 176.3087 30 F 3.2527 9.0175 127.8257 61.0418 39.2683 177.2045 31 K 3.7033 7.8614 119.7290 59.2072 31.9520 176.7360 32 D 4.4969 7.6619 115.9610 54.3936 41.1812 176.6943 33 I 3.5003 6.7456 121.8767 59.6985 37.6271 174.2015 34 P 4.1233 0.0000 0.0000 63.3375 31.1429 176.7570 35 D 4.4658 8.6932 121.0793 55.9199 40.6980 176.3570 36 D 4.7427 7.7449 117.6721 52.5574 40.1957 176.5204 37 W 4.2165 8.0644 130.4454 57.5796 31.2120 175.2347 38 V 4.2578 6.8017 115.6965 58.6789 35.0063 175.1086 39 C 3.5482 8.3536 122.1931 58.9671 31.5956 173.2002 40 P 3.9618 0.0000 0.0000 64.8341 31.3416 177.1394 41 A 4.2748 7.5037 121.2416 53.4503 19.3945 177.3503 42 C 4.5938 7.8549 106.5627 57.2178 31.0410 174.9614 43 G 3.7839 8.2589 108.7650 45.5214 0.0000 174.1525 44 V 3.9065 7.3142 113.2307 60.3178 32.6294 175.8042 45 G 4.2051 8.3199 110.1040 44.9857 0.0000 175.0195 46 K 4.2591 8.7777 118.9930 59.3104 32.1187 178.8580 47 D 4.7191 8.3083 116.2818 55.0687 39.5095 176.5503 48 Q 4.4996 8.6676 119.1996 56.1069 29.2894 175.0786 49 F 5.1879 8.4435 117.5778 56.5923 40.7047 175.0537 50 E 4.8731 8.9967 117.9335 54.3817 33.2270 174.3139 51 E 2.5820 8.6241 122.9444 56.0284 30.5061 176.1251 52 V 3.9635 7.8041 127.5882 61.5040 32.1988 175.2009 53 E 4.1797 8.6164 128.5283 55.8548 30.2617 176.7753 54 E 4.2260 8.6459 122.1665 56.4628 29.7991 175.8074 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 4.50 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 2 K 8.41 4.40 0.00 1.92 1.64 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.62 7.81 3 K 9.24 4.69 0.00 1.82 1.71 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.40 7.81 4 Y 9.00 4.84 0.00 2.60 2.42 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 5 T 8.83 5.11 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 1.21 0.00 0.00 6 C 8.98 3.24 0.00 2.48 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 4.17 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 1.21 0.00 0.00 8 V 7.63 3.96 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 0.83 0.00 0.00 0.92 0.00 0.00 9 C 8.14 4.56 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 3.95 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 0.00 0.00 0.00 11 Y 7.94 4.29 0.00 3.19 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.31 4.76 1.62 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 0.82 0.00 0.00 13 Y 9.49 4.49 0.00 3.60 3.15 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 0.00 0.00 0.00 14 N 7.90 4.92 0.00 2.65 2.45 0.00 0.00 6.83 7.63 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 15 P 0.00 4.15 0.00 2.30 2.55 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 16 E 8.02 3.86 0.00 2.07 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 2.35 2.28 0.00 17 D 7.93 4.55 0.00 2.71 2.74 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 18 G 7.97 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.85 4.99 0.00 3.21 2.88 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 20 P 0.00 4.41 0.00 2.30 2.36 0.00 3.86 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 2.14 2.06 0.00 21 D 8.24 4.50 0.00 2.75 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 22 N 8.30 4.89 0.00 3.13 2.93 0.00 0.00 7.65 6.93 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 23 G 8.30 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.53 4.13 2.32 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 0.94 0.00 0.00 0.54 0.00 0.00 25 N 8.40 4.85 0.00 2.87 2.72 0.00 0.00 6.80 8.04 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 26 P 0.00 4.37 0.00 2.22 2.16 0.00 3.78 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 2.00 1.99 0.00 27 G 9.49 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 0.00 0.00 0.00 28 T 7.39 4.27 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 1.05 0.00 0.00 29 D 8.47 4.56 0.00 2.72 2.63 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 30 F 9.02 3.25 0.00 2.51 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 0.00 0.00 0.00 0.00 31 K 7.86 3.70 0.00 1.71 1.76 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 32 D 7.66 4.50 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.75 3.50 0.90 0.00 0.00 -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 0.55 -0.18 -0.15 0.00 0.00 34 P 0.00 4.12 0.00 2.32 2.14 0.00 3.47 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 35 D 8.69 4.47 0.00 2.64 2.73 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 36 D 7.74 4.74 0.00 2.77 2.76 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 0.00 0.00 0.00 0.00 37 W 8.06 4.22 0.00 3.11 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 38 V 6.80 4.26 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 0.68 0.00 0.00 0.63 0.00 0.00 39 C 8.35 3.55 0.00 3.22 2.77 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 40 P 0.00 3.96 0.00 2.03 2.16 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.84 0.00 41 A 7.50 4.27 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 42 C 7.85 4.59 0.00 3.02 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 3.78 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 0.00 44 V 7.31 3.91 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 0.68 0.00 0.00 0.99 0.00 0.00 45 G 8.32 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.78 4.26 0.00 1.90 1.97 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.78 7.81 47 D 8.31 4.72 0.00 2.88 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 48 Q 8.67 4.50 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 49 F 8.44 5.19 0.00 3.40 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 50 E 9.00 4.87 0.00 1.97 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 2.14 2.16 0.00 51 E 8.62 2.58 0.00 1.71 1.65 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 1.94 1.49 0.00 52 V 7.80 3.96 2.06 0.00 0.00 0.00 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 0.83 0.00 0.00 53 E 8.62 4.18 0.00 1.95 1.83 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 2.20 2.21 0.00 54 E 8.65 4.23 0.00 1.91 1.81 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 2.20 2.23 0.00