NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1443 8.0093 120.7864 60.9975 39.1807 174.5379 2 T 4.4864 8.2590 115.9018 59.3659 71.2749 171.5490 3 A 4.7154 7.9717 125.5609 50.3094 23.3563 176.9564 4 K 4.2988 8.3592 118.9488 55.2057 33.8507 175.2552 5 P 4.1768 0.0000 0.0000 62.4328 31.9052 175.9337 6 A 3.9776 8.6057 122.9711 52.8474 18.4933 178.3255 7 K 4.1710 8.7766 122.9731 59.0923 32.7537 177.6981 8 T 4.6137 7.3086 107.0573 58.2011 68.3029 170.9524 9 P 3.9920 0.0000 0.0000 64.1124 32.2666 176.4367 10 T 5.0864 8.4398 119.0467 60.9703 68.6409 175.2016 11 S 4.3213 8.4181 122.0645 57.3596 65.0912 172.9146 12 P 4.1696 0.0000 0.0000 65.8531 31.0883 178.5954 13 K 3.8308 8.0448 117.5387 59.8307 32.1299 178.4448 14 E 3.9915 7.9514 118.4784 59.4246 29.3331 179.4075 15 Q 3.9330 8.2695 118.0816 58.8332 28.7520 178.5543 16 A 3.9318 8.1348 121.8622 55.1966 18.2928 179.7729 17 I 3.7004 7.6355 117.8535 64.4361 37.1226 178.5904 18 G 3.6312 8.1308 106.6646 47.8553 0.0000 174.8412 19 L 3.6456 8.2639 123.6487 57.9982 41.9360 178.9546 20 S 3.9629 7.9623 114.3828 62.0450 62.6525 176.9538 21 V 3.6158 7.8900 120.0370 66.6118 31.4963 178.0418 22 T 4.1083 8.2142 115.4869 66.7987 68.3142 176.3062 23 F 4.2389 8.7283 119.6789 61.1003 39.0133 177.9955 24 L 4.1580 8.4902 118.6560 57.5518 41.1998 179.5569 25 S 4.2967 8.1790 113.5736 61.2918 62.9283 176.0316 26 F 4.1073 8.4913 121.6400 60.0886 39.0171 177.5842 27 L 4.1890 8.6136 118.7000 57.6711 41.3911 180.0005 28 L 4.0516 8.0744 119.1100 57.4659 41.8009 177.6532 29 P 4.2734 0.0000 0.0000 65.2924 31.2779 178.6507 30 A 4.1082 7.7438 119.9599 55.2907 18.5577 179.6064 31 G 3.9483 8.2792 104.1993 48.2273 0.0000 175.1472 32 W 4.1702 8.6967 130.5961 60.2907 30.5544 178.0027 33 V 3.8370 8.1760 117.8198 66.4163 31.1380 178.0149 34 L 4.1916 8.5172 117.7259 57.5839 41.6456 178.7778 35 Y 4.2180 7.8492 119.5104 60.9798 38.3341 177.3839 36 H 3.7804 7.7709 115.2839 55.6287 28.7368 177.3906 37 L 3.8507 7.4649 125.1445 58.4363 41.9219 178.3035 38 D 4.2513 7.7559 117.3557 57.4363 40.9921 177.6777 39 N 4.3963 7.1313 115.0005 55.4099 38.4256 176.5444 40 Y 4.6176 7.2544 117.8127 60.5019 38.5518 177.2056 41 K 4.2585 8.0967 117.4718 58.1448 33.0075 177.2888 42 K 4.4510 7.0418 120.5424 54.0320 32.1416 175.8765 43 S 4.2643 8.1507 119.1365 58.7886 63.7074 175.4712 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 I 8.01 4.14 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 1.47 1.34 0.91 0.00 0.00 2 T 8.26 4.49 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 3 A 7.97 4.72 1.20 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 0.00 0.00 0.00 4 K 8.36 4.30 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 5 P 0.00 4.18 0.00 2.05 2.06 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 6 A 8.61 3.98 1.28 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 0.00 0.00 7 K 8.78 4.17 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.31 4.61 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 9 P 0.00 3.99 0.00 2.05 2.07 0.00 3.64 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 2.04 2.24 0.00 10 T 8.44 5.09 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 1.20 0.00 0.00 11 S 8.42 4.32 0.00 4.03 3.98 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 P 0.00 4.17 0.00 2.16 2.14 0.00 3.60 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 2.11 2.15 0.00 13 K 8.04 3.83 0.00 1.77 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 E 7.95 3.99 0.00 2.14 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 2.32 2.34 0.00 15 Q 8.27 3.93 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 16 A 8.13 3.93 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 17 I 7.64 3.70 2.04 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 1.43 0.79 0.90 0.00 0.00 18 G 8.13 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 19 L 8.26 3.65 0.00 1.55 1.60 0.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.96 3.96 0.00 4.02 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 21 V 7.89 3.62 2.25 0.00 0.00 0.00 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 1.02 0.00 0.00 22 T 8.21 4.11 4.50 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 1.31 0.00 0.00 23 F 8.73 4.24 0.00 3.13 3.10 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 0.00 0.00 0.00 0.00 24 L 8.49 4.16 0.00 1.77 1.78 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.18 4.30 0.00 4.11 4.10 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 0.00 0.00 0.00 0.00 26 F 8.49 4.11 0.00 3.26 3.08 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 0.00 0.00 0.00 27 L 8.61 4.19 0.00 1.83 1.78 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.07 4.05 0.00 1.82 1.73 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.27 0.00 2.16 2.07 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 30 A 7.74 4.11 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 31 G 8.28 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 32 W 8.70 4.17 0.00 3.47 3.42 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 33 V 8.18 3.84 2.29 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 1.06 0.00 0.00 1.32 0.00 0.00 34 L 8.52 4.19 0.00 1.89 1.79 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.85 4.22 0.00 3.18 3.07 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 0.00 0.00 0.00 36 H 7.77 3.78 0.00 2.11 1.94 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.46 3.85 0.00 1.92 1.60 0.93 1.33 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 38 D 7.76 4.25 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.13 4.40 0.00 2.19 2.67 0.00 0.00 7.06 7.34 0.00 0.00 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 Y 7.25 4.62 0.00 3.15 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.10 4.26 0.00 1.72 1.91 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.70 7.81 42 K 7.04 4.45 0.00 1.69 1.67 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.15 4.26 0.00 4.10 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