NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8964 8.3549 109.7275 45.7345 0.0000 174.1996 2 S 4.2661 8.2626 113.9160 57.1413 63.9321 173.2529 3 M 3.1288 8.1795 118.9039 55.7182 30.0367 176.9992 4 G 3.6314 8.1175 106.1795 46.0270 0.0000 173.9307 5 R 4.6386 9.0734 121.9961 54.0332 32.2885 176.3531 6 Q 4.5371 8.5173 119.1440 56.2756 29.7479 175.3664 7 C 5.0668 8.8334 117.8272 56.4785 32.1773 172.8932 8 K 4.6622 8.5175 123.9056 55.2416 34.0810 175.7783 9 V 4.1659 8.7682 126.5108 62.1456 31.6137 176.3553 10 L 4.0641 8.6346 127.9025 55.2281 42.7198 176.8679 11 F 5.0274 7.8389 114.4085 55.2667 42.3538 173.9727 12 D 4.7250 8.8593 122.3656 54.2953 41.5656 175.5008 13 Y 4.1978 8.1904 123.8491 55.8485 41.7522 174.4342 14 S 4.6185 8.1470 124.2952 56.0688 63.3457 172.7696 15 P 3.9914 0.0000 0.0000 62.6908 31.7343 176.5897 16 Q 4.2182 9.7066 119.9367 57.4676 29.6348 176.0461 17 N 5.1363 7.9565 113.2922 51.1103 42.1877 174.8613 18 E 4.3267 8.6278 116.9848 57.8758 30.4732 177.4431 19 D 4.5498 7.9520 119.8139 56.7975 42.1977 175.7859 20 E 4.9831 7.8100 118.5469 55.4072 30.2753 176.5391 21 L 4.2532 9.2888 128.2171 54.8549 43.0047 176.2530 22 E 4.1170 8.8729 126.0324 56.5451 29.9701 176.7691 23 L 4.3140 8.3187 126.8853 53.8089 42.8683 176.2916 24 I 4.3220 8.0662 126.0589 59.3533 38.0408 175.8946 25 V 3.9220 8.2718 126.2235 64.1967 31.6465 174.7733 26 G 4.0065 8.6354 117.1788 45.8378 0.0000 173.2618 27 D 4.8417 7.9809 119.5858 53.2910 43.3582 175.2385 28 V 4.8622 8.1284 119.1293 59.7940 34.2673 174.9354 29 I 4.3546 8.7539 124.7155 59.5287 39.8451 174.3169 30 D 4.7776 8.4073 126.6592 53.3216 41.6640 175.6845 31 V 4.7238 8.4408 126.0050 61.0230 33.0061 176.2275 32 I 3.9867 8.6746 124.7300 62.8419 37.5992 175.6779 33 E 4.4860 7.4149 118.2521 55.1225 32.2054 173.6842 34 E 4.2077 8.1003 121.1529 55.3663 31.0564 176.1544 35 V 4.1827 8.4289 114.4058 62.7747 33.7979 176.5056 36 E 4.5872 7.9553 118.0244 55.5057 29.3371 174.4550 37 E 3.9712 7.9115 118.2731 57.7370 31.2417 175.5735 38 G 3.6891 7.9200 103.2318 48.7525 0.0000 172.5784 39 W 5.1600 8.4909 123.2393 55.4615 30.1618 176.4008 40 W 5.0030 9.0006 125.6267 55.2148 31.7882 175.5546 41 S 5.2037 8.2514 117.0344 57.1500 65.6072 173.9840 42 G 4.6321 9.0312 110.4751 46.0627 0.0000 171.1679 43 T 5.1857 8.7843 113.7412 60.0778 71.0347 172.8488 44 L 4.4836 8.8551 130.5168 53.9150 41.5778 174.1466 45 N 4.5549 8.2457 124.0011 53.1658 37.1789 174.5933 46 N 4.9451 7.9348 117.9407 52.3579 41.6383 174.2146 47 K 4.4794 8.0901 120.9754 54.2787 33.7093 174.4163 48 L 4.8898 8.3149 128.1731 53.9358 43.6431 175.1952 49 G 4.2262 8.7096 111.1438 46.1614 0.0000 171.3693 50 L 5.5325 8.9274 120.3589 53.3271 43.8552 176.4081 51 F 5.5232 8.8253 117.5960 54.5127 41.9503 171.8251 52 P 4.1567 0.0000 0.0000 61.8107 32.6490 176.8666 53 S 3.6179 8.3060 117.8068 58.8241 62.8552 175.6829 54 N 4.0631 7.8624 121.0517 56.1928 39.1351 176.1251 55 F 4.6124 7.9252 114.8000 58.1189 39.7916 175.2418 56 V 4.9622 7.4969 113.2874 59.2763 34.6630 175.1259 57 K 4.4945 8.4535 122.8637 54.4790 35.5274 175.6743 58 E 4.4875 8.8918 126.1436 54.7452 27.5199 175.6396 59 L 4.6830 8.0883 118.2312 54.6456 41.7737 177.1208 60 E 4.2433 8.0698 125.4109 56.5846 29.7689 175.2758 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 G 8.35 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 2 S 8.26 4.27 0.00 3.72 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 3 M 8.18 3.13 0.00 2.15 2.13 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 2.49 2.44 0.00 4 G 8.12 3.63 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 0.00 0.00 0.00 5 R 9.07 4.64 0.00 1.93 1.90 0.00 3.35 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 6 Q 8.52 4.54 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 7 C 8.83 5.07 0.00 3.17 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.52 4.66 0.00 1.89 1.69 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81 9 V 8.77 4.17 2.20 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 1.09 0.00 0.00 0.89 0.00 0.00 10 L 8.63 4.06 0.00 1.55 0.95 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 F 7.84 5.03 0.00 3.31 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 12 D 8.86 4.72 0.00 2.67 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 13 Y 8.19 4.20 0.00 1.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.15 4.62 0.00 3.58 3.65 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 15 P 0.00 3.99 0.00 2.42 2.18 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 16 Q 9.71 4.22 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 17 N 7.96 5.14 0.00 2.81 2.62 0.00 0.00 7.14 7.52 0.00 0.00 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 E 8.63 4.33 0.00 2.08 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 0.00 2.27 2.33 0.00 19 D 7.95 4.55 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 4.98 0.00 2.28 2.41 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 2.48 2.26 0.00 21 L 9.29 4.25 0.00 1.83 1.85 1.00 1.05 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 22 E 8.87 4.12 0.00 1.91 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 0.00 2.30 2.36 0.00 23 L 8.32 4.31 0.00 1.68 1.64 0.84 0.57 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 24 I 8.07 4.32 1.85 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 1.36 0.90 0.00 0.00 25 V 8.27 3.92 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 0.75 0.00 0.00 1.00 0.00 0.00 26 G 8.64 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.98 4.84 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.13 4.86 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 0.80 0.00 0.00 0.95 0.00 0.00 29 I 8.75 4.35 1.53 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.02 0.61 0.00 0.00 30 D 8.41 4.78 0.00 2.95 2.61 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 31 V 8.44 4.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.07 0.00 0.00 32 I 8.67 3.99 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.91 0.00 0.00 33 E 7.41 4.49 0.00 1.91 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 2.17 2.20 0.00 34 E 8.10 4.21 0.00 1.75 1.12 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 1.81 2.12 0.00 35 V 8.43 4.18 2.10 0.00 0.00 0.00 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 1.02 0.00 0.00 36 E 7.96 4.59 0.00 2.18 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 2.27 2.28 0.00 37 E 7.91 3.97 0.00 2.10 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 0.00 2.24 2.34 0.00 38 G 7.92 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 39 W 8.49 5.16 0.00 3.35 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.00 5.00 0.00 1.85 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 5.20 0.00 3.70 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 42 G 9.03 4.63 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 0.00 0.00 0.00 43 T 8.78 5.19 4.31 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 1.26 0.00 0.00 44 L 8.86 4.48 0.00 1.66 1.52 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.25 4.55 0.00 2.93 2.81 0.00 0.00 6.93 7.99 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 46 N 7.93 4.95 0.00 2.64 2.79 0.00 0.00 6.68 7.62 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 47 K 8.09 4.48 0.00 1.86 1.68 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.44 7.81 48 L 8.31 4.89 0.00 1.67 1.58 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.71 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 0.00 0.00 0.00 0.00 50 L 8.93 5.53 0.00 1.64 1.80 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.83 5.52 0.00 2.99 3.16 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 0.00 52 P 0.00 4.16 0.00 1.65 0.94 0.00 3.31 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 0.00 53 S 8.31 3.62 0.00 3.01 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 54 N 7.86 4.06 0.00 2.32 2.29 0.00 0.00 6.72 5.94 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 55 F 7.93 4.61 0.00 3.10 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 56 V 7.50 4.96 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 0.61 0.00 0.00 0.88 0.00 0.00 57 K 8.45 4.49 0.00 1.70 1.69 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 58 E 8.89 4.49 0.00 2.43 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 0.00 2.38 2.60 0.00 59 L 8.09 4.68 0.00 1.78 1.74 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.07 4.24 0.00 1.93 1.85 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 2.19 2.27 0.00